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 -110:sc= -5.92! USER MOD Set 1.2: A 760 CYS SG : rot -111:sc= -1.81 USER MOD Set 1.3: A 776 HIS : no HE2:sc= -1.76 K(o=-14,f=-18) USER MOD Set 1.4: A 780 HIS : no HE2:sc= -4.44! C(o=-14!,f=-13!) USER MOD Set 2.1: A 730 CYS SG : rot 40:sc= -1.52 USER MOD Set 2.2: A 733 CYS SG : rot -99:sc= -1.56 USER MOD Set 2.3: A 749 HIS : no HE2:sc= -4.82! C(o=-9.7!,f=-18!) USER MOD Set 2.4: A 753 HIS : no HE2:sc= -1.81 K(o=-9.7,f=-13!) USER MOD Set 3.1: A 727 HIS : no HD1:sc= -2.31 K(o=-2.3,f=-0.7) USER MOD Set 3.2: A 736 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 728 LYS NZ :NH3+ 165:sc= 0.38 (180deg=0.288) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 740 ASN : amide:sc= -0.246 K(o=-0.25,f=-2.6!) USER MOD Single : A 741 TYR OH : rot 180:sc= -0.519 USER MOD Single : A 743 GLN : amide:sc= -0.314 K(o=-0.31,f=-3.4!) 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 -116:sc= -1.99 (180deg=-6.47!) USER MOD Single : A 761 SER OG : rot 180:sc= -0.223 USER MOD Single : A 763 GLN : amide:sc= -10.6! C(o=-11!,f=-22!) USER MOD Single : A 768 TYR OH : rot 180:sc= 0 USER MOD Single : A 770 GLN : amide:sc= -1.78 K(o=-1.8,f=-0.9) USER MOD Single : A 771 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 778 GLN : amide:sc= -0.916 X(o=-0.92,f=-0.89) USER MOD Single : A 779 THR OG1 : rot -42:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.830 1.784 -1.075 1.00 0.00 N ATOM 74 CA HIS A 727 19.731 1.655 -0.126 1.00 0.00 C ATOM 75 C HIS A 727 18.407 2.058 -0.767 1.00 0.00 C ATOM 76 O HIS A 727 18.279 3.151 -1.319 1.00 0.00 O ATOM 77 CB HIS A 727 19.993 2.514 1.112 1.00 0.00 C ATOM 78 CG HIS A 727 20.715 1.785 2.201 1.00 0.00 C ATOM 79 ND1 HIS A 727 21.371 2.424 3.231 1.00 0.00 N ATOM 80 CD2 HIS A 727 20.876 0.461 2.419 1.00 0.00 C ATOM 81 CE1 HIS A 727 21.908 1.523 4.035 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.622 0.323 3.564 1.00 0.00 N ATOM 0 HA HIS A 727 19.666 0.609 0.174 1.00 0.00 H new ATOM 0 HB2 HIS A 727 20.576 3.388 0.822 1.00 0.00 H new ATOM 0 HB3 HIS A 727 19.042 2.880 1.499 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.490 -0.340 1.806 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.483 1.732 4.925 1.00 0.00 H new ATOM 0 HE2 HIS A 727 21.908 -0.562 3.982 1.00 0.00 H new ATOM 91 N LYS A 728 17.424 1.167 -0.690 1.00 0.00 N ATOM 92 CA LYS A 728 16.109 1.429 -1.261 1.00 0.00 C ATOM 93 C LYS A 728 15.266 2.277 -0.314 1.00 0.00 C ATOM 94 O LYS A 728 14.934 1.847 0.789 1.00 0.00 O ATOM 95 CB LYS A 728 15.389 0.113 -1.565 1.00 0.00 C ATOM 96 CG LYS A 728 15.797 -0.510 -2.890 1.00 0.00 C ATOM 97 CD LYS A 728 14.940 -1.721 -3.221 1.00 0.00 C ATOM 98 CE LYS A 728 14.607 -1.780 -4.704 1.00 0.00 C ATOM 99 NZ LYS A 728 13.197 -2.194 -4.941 1.00 0.00 N ATOM 0 H LYS A 728 17.514 0.257 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 728 16.247 1.981 -2.191 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.591 -0.596 -0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.313 0.290 -1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 728 15.706 0.230 -3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 728 16.845 -0.805 -2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 728 15.465 -2.630 -2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 728 14.018 -1.685 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 728 14.778 -0.802 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 728 15.279 -2.481 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 12.933 -1.981 -5.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 13.102 -3.215 -4.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 12.569 -1.675 -4.294 1.00 0.00 H new ATOM 113 N LYS A 729 14.926 3.484 -0.753 1.00 0.00 N ATOM 114 CA LYS A 729 14.124 4.393 0.056 1.00 0.00 C ATOM 115 C LYS A 729 12.714 4.531 -0.510 1.00 0.00 C ATOM 116 O LYS A 729 12.533 4.939 -1.657 1.00 0.00 O ATOM 117 CB LYS A 729 14.792 5.768 0.130 1.00 0.00 C ATOM 118 CG LYS A 729 15.812 5.890 1.250 1.00 0.00 C ATOM 119 CD LYS A 729 16.333 7.313 1.375 1.00 0.00 C ATOM 120 CE LYS A 729 15.488 8.132 2.338 1.00 0.00 C ATOM 121 NZ LYS A 729 16.315 9.086 3.129 1.00 0.00 N ATOM 0 H LYS A 729 15.194 3.855 -1.665 1.00 0.00 H new ATOM 0 HA LYS A 729 14.052 3.975 1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 729 15.283 5.976 -0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 729 14.024 6.529 0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 729 15.358 5.583 2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 729 16.644 5.212 1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 729 17.366 7.294 1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 729 16.334 7.789 0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 729 14.732 8.684 1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 729 14.958 7.463 3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 15.702 9.625 3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 17.020 8.558 3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 16.801 9.741 2.484 1.00 0.00 H new ATOM 135 N CYS A 730 11.721 4.191 0.303 1.00 0.00 N ATOM 136 CA CYS A 730 10.327 4.280 -0.114 1.00 0.00 C ATOM 137 C CYS A 730 9.875 5.741 -0.163 1.00 0.00 C ATOM 138 O CYS A 730 9.981 6.459 0.829 1.00 0.00 O ATOM 139 CB CYS A 730 9.439 3.481 0.842 1.00 0.00 C ATOM 140 SG CYS A 730 7.664 3.683 0.562 1.00 0.00 S ATOM 0 H CYS A 730 11.855 3.851 1.255 1.00 0.00 H new ATOM 0 HA CYS A 730 10.235 3.857 -1.114 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.690 2.424 0.753 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.669 3.778 1.865 1.00 0.00 H new ATOM 0 HG CYS A 730 7.427 3.711 -0.716 1.00 0.00 H new ATOM 145 N PRO A 731 9.375 6.205 -1.323 1.00 0.00 N ATOM 146 CA PRO A 731 8.923 7.591 -1.487 1.00 0.00 C ATOM 147 C PRO A 731 7.809 7.976 -0.515 1.00 0.00 C ATOM 148 O PRO A 731 7.680 9.138 -0.136 1.00 0.00 O ATOM 149 CB PRO A 731 8.405 7.639 -2.929 1.00 0.00 C ATOM 150 CG PRO A 731 9.056 6.488 -3.613 1.00 0.00 C ATOM 151 CD PRO A 731 9.222 5.426 -2.565 1.00 0.00 C ATOM 0 HA PRO A 731 9.730 8.294 -1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 731 7.319 7.554 -2.961 1.00 0.00 H new ATOM 0 HB3 PRO A 731 8.665 8.582 -3.410 1.00 0.00 H new ATOM 0 HG2 PRO A 731 8.444 6.128 -4.440 1.00 0.00 H new ATOM 0 HG3 PRO A 731 10.020 6.777 -4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 731 8.358 4.763 -2.522 1.00 0.00 H new ATOM 0 HD3 PRO A 731 10.093 4.801 -2.759 1.00 0.00 H new ATOM 159 N LEU A 732 6.999 6.996 -0.125 1.00 0.00 N ATOM 160 CA LEU A 732 5.888 7.243 0.791 1.00 0.00 C ATOM 161 C LEU A 732 6.380 7.577 2.196 1.00 0.00 C ATOM 162 O LEU A 732 5.683 8.244 2.961 1.00 0.00 O ATOM 163 CB LEU A 732 4.962 6.026 0.839 1.00 0.00 C ATOM 164 CG LEU A 732 4.203 5.745 -0.457 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.865 4.266 -0.575 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.941 6.591 -0.522 1.00 0.00 C ATOM 0 H LEU A 732 7.090 6.026 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 732 5.336 8.104 0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 732 5.554 5.147 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 732 4.240 6.169 1.643 1.00 0.00 H new ATOM 0 HG LEU A 732 4.844 6.012 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.325 4.089 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.785 3.681 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.243 3.967 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 732 2.410 6.381 -1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 732 2.299 6.352 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 732 3.209 7.647 -0.488 1.00 0.00 H new ATOM 178 N CYS A 733 7.575 7.108 2.536 1.00 0.00 N ATOM 179 CA CYS A 733 8.142 7.361 3.857 1.00 0.00 C ATOM 180 C CYS A 733 9.621 7.731 3.760 1.00 0.00 C ATOM 181 O CYS A 733 10.127 8.023 2.678 1.00 0.00 O ATOM 182 CB CYS A 733 7.961 6.131 4.749 1.00 0.00 C ATOM 183 SG CYS A 733 8.913 4.689 4.220 1.00 0.00 S ATOM 0 H CYS A 733 8.168 6.553 1.919 1.00 0.00 H new ATOM 0 HA CYS A 733 7.612 8.205 4.300 1.00 0.00 H new ATOM 0 HB2 CYS A 733 8.249 6.389 5.768 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.904 5.866 4.774 1.00 0.00 H new ATOM 0 HG CYS A 733 8.141 3.878 3.558 1.00 0.00 H new ATOM 188 N GLU A 734 10.307 7.720 4.898 1.00 0.00 N ATOM 189 CA GLU A 734 11.726 8.055 4.940 1.00 0.00 C ATOM 190 C GLU A 734 12.537 6.907 5.536 1.00 0.00 C ATOM 191 O GLU A 734 13.407 7.121 6.381 1.00 0.00 O ATOM 192 CB GLU A 734 11.945 9.331 5.755 1.00 0.00 C ATOM 193 CG GLU A 734 13.200 10.093 5.365 1.00 0.00 C ATOM 194 CD GLU A 734 13.536 11.202 6.344 1.00 0.00 C ATOM 195 OE1 GLU A 734 14.106 10.898 7.413 1.00 0.00 O ATOM 196 OE2 GLU A 734 13.230 12.374 6.041 1.00 0.00 O ATOM 0 H GLU A 734 9.903 7.483 5.804 1.00 0.00 H new ATOM 0 HA GLU A 734 12.067 8.224 3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 734 11.081 9.984 5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 734 12.001 9.072 6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 734 14.038 9.399 5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 734 13.068 10.519 4.370 1.00 0.00 H new ATOM 203 N LEU A 735 12.245 5.690 5.091 1.00 0.00 N ATOM 204 CA LEU A 735 12.947 4.509 5.581 1.00 0.00 C ATOM 205 C LEU A 735 13.963 4.012 4.557 1.00 0.00 C ATOM 206 O LEU A 735 13.724 4.073 3.350 1.00 0.00 O ATOM 207 CB LEU A 735 11.947 3.396 5.908 1.00 0.00 C ATOM 208 CG LEU A 735 12.190 2.678 7.237 1.00 0.00 C ATOM 209 CD1 LEU A 735 12.159 3.668 8.390 1.00 0.00 C ATOM 210 CD2 LEU A 735 11.156 1.581 7.444 1.00 0.00 C ATOM 0 H LEU A 735 11.528 5.495 4.392 1.00 0.00 H new ATOM 0 HA LEU A 735 13.483 4.787 6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 735 10.944 3.822 5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 735 11.971 2.660 5.105 1.00 0.00 H new ATOM 0 HG LEU A 735 13.178 2.218 7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 735 12.334 3.140 9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 735 12.936 4.419 8.246 1.00 0.00 H new ATOM 0 HD13 LEU A 735 11.185 4.156 8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 735 11.343 1.080 8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 735 10.158 2.019 7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 735 11.226 0.857 6.632 1.00 0.00 H new ATOM 222 N MET A 736 15.096 3.518 5.046 1.00 0.00 N ATOM 223 CA MET A 736 16.147 3.007 4.175 1.00 0.00 C ATOM 224 C MET A 736 16.213 1.485 4.248 1.00 0.00 C ATOM 225 O MET A 736 16.193 0.905 5.333 1.00 0.00 O ATOM 226 CB MET A 736 17.498 3.611 4.562 1.00 0.00 C ATOM 227 CG MET A 736 17.845 4.871 3.787 1.00 0.00 C ATOM 228 SD MET A 736 18.976 5.951 4.686 1.00 0.00 S ATOM 229 CE MET A 736 20.250 6.207 3.454 1.00 0.00 C ATOM 0 H MET A 736 15.309 3.461 6.042 1.00 0.00 H new ATOM 0 HA MET A 736 15.913 3.295 3.150 1.00 0.00 H new ATOM 0 HB2 MET A 736 17.492 3.840 5.628 1.00 0.00 H new ATOM 0 HB3 MET A 736 18.279 2.868 4.400 1.00 0.00 H new ATOM 0 HG2 MET A 736 18.294 4.594 2.833 1.00 0.00 H new ATOM 0 HG3 MET A 736 16.929 5.418 3.561 1.00 0.00 H new ATOM 0 HE1 MET A 736 21.024 6.857 3.861 1.00 0.00 H new ATOM 0 HE2 MET A 736 20.689 5.248 3.180 1.00 0.00 H new ATOM 0 HE3 MET A 736 19.813 6.672 2.570 1.00 0.00 H new ATOM 239 N PHE A 737 16.289 0.843 3.087 1.00 0.00 N ATOM 240 CA PHE A 737 16.355 -0.612 3.024 1.00 0.00 C ATOM 241 C PHE A 737 17.709 -1.079 2.487 1.00 0.00 C ATOM 242 O PHE A 737 18.270 -0.467 1.579 1.00 0.00 O ATOM 243 CB PHE A 737 15.220 -1.152 2.149 1.00 0.00 C ATOM 244 CG PHE A 737 13.854 -0.961 2.753 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.651 -1.141 4.113 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.774 -0.601 1.960 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.400 -0.965 4.670 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.519 -0.424 2.514 1.00 0.00 C ATOM 249 CZ PHE A 737 11.333 -0.606 3.871 1.00 0.00 C ATOM 0 H PHE A 737 16.306 1.307 2.179 1.00 0.00 H new ATOM 0 HA PHE A 737 16.241 -1.003 4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.252 -0.656 1.179 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.384 -2.215 1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.481 -1.422 4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 737 12.915 -0.457 0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.256 -1.108 5.731 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.686 -0.144 1.887 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.354 -0.468 4.306 1.00 0.00 H new ATOM 259 N PRO A 738 18.256 -2.173 3.052 1.00 0.00 N ATOM 260 CA PRO A 738 19.554 -2.719 2.634 1.00 0.00 C ATOM 261 C PRO A 738 19.577 -3.119 1.161 1.00 0.00 C ATOM 262 O PRO A 738 18.535 -3.396 0.567 1.00 0.00 O ATOM 263 CB PRO A 738 19.736 -3.956 3.526 1.00 0.00 C ATOM 264 CG PRO A 738 18.372 -4.275 4.036 1.00 0.00 C ATOM 265 CD PRO A 738 17.658 -2.960 4.143 1.00 0.00 C ATOM 0 HA PRO A 738 20.349 -1.981 2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.150 -4.791 2.961 1.00 0.00 H new ATOM 0 HB3 PRO A 738 20.425 -3.752 4.346 1.00 0.00 H new ATOM 0 HG2 PRO A 738 17.849 -4.950 3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 738 18.423 -4.772 5.005 1.00 0.00 H new ATOM 0 HD2 PRO A 738 16.581 -3.073 4.017 1.00 0.00 H new ATOM 0 HD3 PRO A 738 17.817 -2.491 5.114 1.00 0.00 H new ATOM 273 N PRO A 739 20.776 -3.157 0.552 1.00 0.00 N ATOM 274 CA PRO A 739 20.938 -3.529 -0.858 1.00 0.00 C ATOM 275 C PRO A 739 20.438 -4.941 -1.143 1.00 0.00 C ATOM 276 O PRO A 739 20.037 -5.253 -2.264 1.00 0.00 O ATOM 277 CB PRO A 739 22.453 -3.439 -1.090 1.00 0.00 C ATOM 278 CG PRO A 739 23.059 -3.497 0.270 1.00 0.00 C ATOM 279 CD PRO A 739 22.067 -2.847 1.189 1.00 0.00 C ATOM 0 HA PRO A 739 20.359 -2.881 -1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 739 22.806 -4.260 -1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 739 22.719 -2.514 -1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 739 23.251 -4.528 0.568 1.00 0.00 H new ATOM 0 HG3 PRO A 739 24.015 -2.974 0.294 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.127 -3.252 2.199 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.232 -1.772 1.266 1.00 0.00 H new ATOM 287 N ASN A 740 20.459 -5.789 -0.119 1.00 0.00 N ATOM 288 CA ASN A 740 20.001 -7.166 -0.258 1.00 0.00 C ATOM 289 C ASN A 740 18.506 -7.279 0.041 1.00 0.00 C ATOM 290 O ASN A 740 17.979 -8.379 0.207 1.00 0.00 O ATOM 291 CB ASN A 740 20.790 -8.084 0.678 1.00 0.00 C ATOM 292 CG ASN A 740 21.949 -8.765 -0.021 1.00 0.00 C ATOM 293 OD1 ASN A 740 22.031 -8.774 -1.250 1.00 0.00 O ATOM 294 ND2 ASN A 740 22.855 -9.342 0.761 1.00 0.00 N ATOM 0 H ASN A 740 20.788 -5.546 0.815 1.00 0.00 H new ATOM 0 HA ASN A 740 20.170 -7.475 -1.289 1.00 0.00 H new ATOM 0 HB2 ASN A 740 21.168 -7.503 1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 740 20.122 -8.841 1.088 1.00 0.00 H new ATOM 0 HD21 ASN A 740 23.658 -9.816 0.347 1.00 0.00 H new ATOM 0 HD22 ASN A 740 22.748 -9.311 1.775 1.00 0.00 H new ATOM 301 N TYR A 741 17.827 -6.135 0.107 1.00 0.00 N ATOM 302 CA TYR A 741 16.397 -6.106 0.385 1.00 0.00 C ATOM 303 C TYR A 741 15.598 -6.552 -0.835 1.00 0.00 C ATOM 304 O TYR A 741 15.785 -6.033 -1.936 1.00 0.00 O ATOM 305 CB TYR A 741 15.976 -4.696 0.800 1.00 0.00 C ATOM 306 CG TYR A 741 14.605 -4.629 1.431 1.00 0.00 C ATOM 307 CD1 TYR A 741 13.461 -4.603 0.646 1.00 0.00 C ATOM 308 CD2 TYR A 741 14.455 -4.588 2.812 1.00 0.00 C ATOM 309 CE1 TYR A 741 12.207 -4.537 1.216 1.00 0.00 C ATOM 310 CE2 TYR A 741 13.202 -4.523 3.390 1.00 0.00 C ATOM 311 CZ TYR A 741 12.081 -4.497 2.589 1.00 0.00 C ATOM 312 OH TYR A 741 10.832 -4.432 3.161 1.00 0.00 O ATOM 0 H TYR A 741 18.248 -5.216 -0.029 1.00 0.00 H new ATOM 0 HA TYR A 741 16.190 -6.798 1.201 1.00 0.00 H new ATOM 0 HB2 TYR A 741 16.709 -4.300 1.503 1.00 0.00 H new ATOM 0 HB3 TYR A 741 15.994 -4.049 -0.077 1.00 0.00 H new ATOM 0 HD1 TYR A 741 13.554 -4.635 -0.429 1.00 0.00 H new ATOM 0 HD2 TYR A 741 15.331 -4.607 3.443 1.00 0.00 H new ATOM 0 HE1 TYR A 741 11.327 -4.517 0.590 1.00 0.00 H new ATOM 0 HE2 TYR A 741 13.101 -4.493 4.465 1.00 0.00 H new ATOM 0 HH TYR A 741 10.920 -4.412 4.137 1.00 0.00 H new ATOM 322 N ASP A 742 14.708 -7.518 -0.634 1.00 0.00 N ATOM 323 CA ASP A 742 13.881 -8.033 -1.720 1.00 0.00 C ATOM 324 C ASP A 742 12.887 -6.980 -2.194 1.00 0.00 C ATOM 325 O ASP A 742 12.250 -6.305 -1.384 1.00 0.00 O ATOM 326 CB ASP A 742 13.135 -9.290 -1.268 1.00 0.00 C ATOM 327 CG ASP A 742 12.750 -10.182 -2.433 1.00 0.00 C ATOM 328 OD1 ASP A 742 13.660 -10.763 -3.061 1.00 0.00 O ATOM 329 OD2 ASP A 742 11.539 -10.299 -2.716 1.00 0.00 O ATOM 0 H ASP A 742 14.541 -7.960 0.270 1.00 0.00 H new ATOM 0 HA ASP A 742 14.536 -8.287 -2.553 1.00 0.00 H new ATOM 0 HB2 ASP A 742 13.761 -9.852 -0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 742 12.237 -9.000 -0.723 1.00 0.00 H new ATOM 334 N GLN A 743 12.760 -6.841 -3.509 1.00 0.00 N ATOM 335 CA GLN A 743 11.843 -5.867 -4.089 1.00 0.00 C ATOM 336 C GLN A 743 10.402 -6.186 -3.715 1.00 0.00 C ATOM 337 O GLN A 743 9.623 -5.290 -3.389 1.00 0.00 O ATOM 338 CB GLN A 743 11.994 -5.834 -5.608 1.00 0.00 C ATOM 339 CG GLN A 743 11.251 -4.684 -6.269 1.00 0.00 C ATOM 340 CD GLN A 743 9.901 -5.100 -6.818 1.00 0.00 C ATOM 341 OE1 GLN A 743 9.413 -6.195 -6.537 1.00 0.00 O ATOM 342 NE2 GLN A 743 9.288 -4.226 -7.607 1.00 0.00 N ATOM 0 H GLN A 743 13.280 -7.390 -4.193 1.00 0.00 H new ATOM 0 HA GLN A 743 12.094 -4.886 -3.686 1.00 0.00 H new ATOM 0 HB2 GLN A 743 13.053 -5.763 -5.858 1.00 0.00 H new ATOM 0 HB3 GLN A 743 11.631 -6.775 -6.021 1.00 0.00 H new ATOM 0 HG2 GLN A 743 11.113 -3.882 -5.544 1.00 0.00 H new ATOM 0 HG3 GLN A 743 11.860 -4.281 -7.078 1.00 0.00 H new ATOM 0 HE21 GLN A 743 9.728 -3.330 -7.814 1.00 0.00 H new ATOM 0 HE22 GLN A 743 8.377 -4.451 -8.006 1.00 0.00 H new ATOM 351 N SER A 744 10.053 -7.467 -3.754 1.00 0.00 N ATOM 352 CA SER A 744 8.704 -7.900 -3.406 1.00 0.00 C ATOM 353 C SER A 744 8.333 -7.387 -2.021 1.00 0.00 C ATOM 354 O SER A 744 7.229 -6.881 -1.802 1.00 0.00 O ATOM 355 CB SER A 744 8.603 -9.426 -3.447 1.00 0.00 C ATOM 356 OG SER A 744 8.939 -9.925 -4.730 1.00 0.00 O ATOM 0 H SER A 744 10.684 -8.223 -4.022 1.00 0.00 H new ATOM 0 HA SER A 744 8.007 -7.488 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 744 9.269 -9.858 -2.700 1.00 0.00 H new ATOM 0 HB3 SER A 744 7.590 -9.734 -3.188 1.00 0.00 H new ATOM 0 HG SER A 744 8.868 -10.902 -4.730 1.00 0.00 H new ATOM 362 N LYS A 745 9.277 -7.495 -1.094 1.00 0.00 N ATOM 363 CA LYS A 745 9.069 -7.020 0.262 1.00 0.00 C ATOM 364 C LYS A 745 8.908 -5.508 0.246 1.00 0.00 C ATOM 365 O LYS A 745 8.131 -4.942 1.013 1.00 0.00 O ATOM 366 CB LYS A 745 10.241 -7.423 1.159 1.00 0.00 C ATOM 367 CG LYS A 745 9.822 -8.209 2.391 1.00 0.00 C ATOM 368 CD LYS A 745 11.025 -8.632 3.218 1.00 0.00 C ATOM 369 CE LYS A 745 11.380 -7.584 4.259 1.00 0.00 C ATOM 370 NZ LYS A 745 10.547 -7.713 5.486 1.00 0.00 N ATOM 0 H LYS A 745 10.194 -7.909 -1.260 1.00 0.00 H new ATOM 0 HA LYS A 745 8.164 -7.475 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 745 10.943 -8.021 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 745 10.772 -6.525 1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 745 9.155 -7.601 3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 745 9.260 -9.092 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 745 10.813 -9.580 3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 745 11.879 -8.798 2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 745 12.433 -7.678 4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 745 11.246 -6.590 3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 10.821 -6.980 6.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 9.544 -7.598 5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 10.693 -8.652 5.908 1.00 0.00 H new ATOM 384 N PHE A 746 9.646 -4.863 -0.655 1.00 0.00 N ATOM 385 CA PHE A 746 9.585 -3.418 -0.798 1.00 0.00 C ATOM 386 C PHE A 746 8.215 -3.013 -1.316 1.00 0.00 C ATOM 387 O PHE A 746 7.643 -2.017 -0.878 1.00 0.00 O ATOM 388 CB PHE A 746 10.679 -2.928 -1.747 1.00 0.00 C ATOM 389 CG PHE A 746 10.754 -1.431 -1.858 1.00 0.00 C ATOM 390 CD1 PHE A 746 10.935 -0.646 -0.729 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.644 -0.807 -3.091 1.00 0.00 C ATOM 392 CE1 PHE A 746 11.005 0.731 -0.829 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.713 0.570 -3.196 1.00 0.00 C ATOM 394 CZ PHE A 746 10.895 1.340 -2.064 1.00 0.00 C ATOM 0 H PHE A 746 10.293 -5.323 -1.296 1.00 0.00 H new ATOM 0 HA PHE A 746 9.748 -2.958 0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 746 11.642 -3.307 -1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 746 10.505 -3.349 -2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.022 -1.116 0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.503 -1.404 -3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.146 1.331 0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.625 1.043 -4.163 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.951 2.416 -2.144 1.00 0.00 H new ATOM 404 N GLU A 747 7.684 -3.808 -2.240 1.00 0.00 N ATOM 405 CA GLU A 747 6.366 -3.549 -2.800 1.00 0.00 C ATOM 406 C GLU A 747 5.320 -3.606 -1.696 1.00 0.00 C ATOM 407 O GLU A 747 4.411 -2.777 -1.635 1.00 0.00 O ATOM 408 CB GLU A 747 6.036 -4.568 -3.892 1.00 0.00 C ATOM 409 CG GLU A 747 6.723 -4.284 -5.218 1.00 0.00 C ATOM 410 CD GLU A 747 5.784 -3.680 -6.244 1.00 0.00 C ATOM 411 OE1 GLU A 747 4.577 -4.003 -6.207 1.00 0.00 O ATOM 412 OE2 GLU A 747 6.254 -2.884 -7.083 1.00 0.00 O ATOM 0 H GLU A 747 8.147 -4.636 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 747 6.363 -2.555 -3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 747 6.324 -5.562 -3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 747 4.957 -4.585 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 747 7.559 -3.605 -5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 747 7.139 -5.211 -5.613 1.00 0.00 H new ATOM 419 N GLU A 748 5.472 -4.589 -0.814 1.00 0.00 N ATOM 420 CA GLU A 748 4.561 -4.763 0.311 1.00 0.00 C ATOM 421 C GLU A 748 4.636 -3.563 1.248 1.00 0.00 C ATOM 422 O GLU A 748 3.622 -3.094 1.759 1.00 0.00 O ATOM 423 CB GLU A 748 4.897 -6.045 1.074 1.00 0.00 C ATOM 424 CG GLU A 748 4.118 -7.260 0.595 1.00 0.00 C ATOM 425 CD GLU A 748 4.953 -8.525 0.601 1.00 0.00 C ATOM 426 OE1 GLU A 748 5.625 -8.798 -0.416 1.00 0.00 O ATOM 427 OE2 GLU A 748 4.933 -9.244 1.622 1.00 0.00 O ATOM 0 H GLU A 748 6.221 -5.280 -0.858 1.00 0.00 H new ATOM 0 HA GLU A 748 3.546 -4.841 -0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 748 5.964 -6.246 0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 748 4.697 -5.890 2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 748 3.245 -7.402 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 748 3.750 -7.077 -0.414 1.00 0.00 H new ATOM 434 N HIS A 749 5.849 -3.074 1.466 1.00 0.00 N ATOM 435 CA HIS A 749 6.066 -1.925 2.334 1.00 0.00 C ATOM 436 C HIS A 749 5.495 -0.668 1.686 1.00 0.00 C ATOM 437 O HIS A 749 4.772 0.099 2.324 1.00 0.00 O ATOM 438 CB HIS A 749 7.566 -1.776 2.618 1.00 0.00 C ATOM 439 CG HIS A 749 8.005 -0.385 2.956 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.156 0.080 4.242 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.358 0.640 2.142 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.590 1.344 4.170 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.728 1.731 2.918 1.00 0.00 N ATOM 0 H HIS A 749 6.700 -3.456 1.053 1.00 0.00 H new ATOM 0 HA HIS A 749 5.550 -2.075 3.282 1.00 0.00 H new ATOM 0 HB2 HIS A 749 7.833 -2.437 3.443 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.123 -2.116 1.744 1.00 0.00 H new ATOM 0 HD1 HIS A 749 7.970 -0.444 5.097 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.352 0.613 1.062 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.800 1.966 5.027 1.00 0.00 H new ATOM 451 N VAL A 750 5.805 -0.478 0.412 1.00 0.00 N ATOM 452 CA VAL A 750 5.306 0.668 -0.333 1.00 0.00 C ATOM 453 C VAL A 750 3.781 0.647 -0.370 1.00 0.00 C ATOM 454 O VAL A 750 3.127 1.665 -0.145 1.00 0.00 O ATOM 455 CB VAL A 750 5.847 0.677 -1.775 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.296 1.862 -2.557 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.368 0.692 -1.774 1.00 0.00 C ATOM 0 H VAL A 750 6.401 -1.105 -0.128 1.00 0.00 H new ATOM 0 HA VAL A 750 5.652 1.568 0.175 1.00 0.00 H new ATOM 0 HB VAL A 750 5.512 -0.235 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.694 1.845 -3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.208 1.801 -2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.591 2.790 -2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.732 0.698 -2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.723 1.584 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.740 -0.196 -1.262 1.00 0.00 H new ATOM 467 N GLU A 751 3.222 -0.528 -0.648 1.00 0.00 N ATOM 468 CA GLU A 751 1.777 -0.695 -0.706 1.00 0.00 C ATOM 469 C GLU A 751 1.171 -0.614 0.692 1.00 0.00 C ATOM 470 O GLU A 751 0.017 -0.220 0.857 1.00 0.00 O ATOM 471 CB GLU A 751 1.420 -2.032 -1.368 1.00 0.00 C ATOM 472 CG GLU A 751 1.459 -3.230 -0.432 1.00 0.00 C ATOM 473 CD GLU A 751 0.075 -3.729 -0.065 1.00 0.00 C ATOM 474 OE1 GLU A 751 -0.829 -3.660 -0.925 1.00 0.00 O ATOM 475 OE2 GLU A 751 -0.105 -4.192 1.081 1.00 0.00 O ATOM 0 H GLU A 751 3.752 -1.379 -0.837 1.00 0.00 H new ATOM 0 HA GLU A 751 1.361 0.113 -1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 751 0.421 -1.955 -1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 751 2.109 -2.210 -2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 751 2.019 -4.037 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 751 1.996 -2.959 0.477 1.00 0.00 H new ATOM 482 N SER A 752 1.964 -0.977 1.698 1.00 0.00 N ATOM 483 CA SER A 752 1.507 -0.929 3.081 1.00 0.00 C ATOM 484 C SER A 752 1.026 0.476 3.419 1.00 0.00 C ATOM 485 O SER A 752 0.144 0.661 4.258 1.00 0.00 O ATOM 486 CB SER A 752 2.631 -1.348 4.032 1.00 0.00 C ATOM 487 OG SER A 752 2.385 -2.631 4.579 1.00 0.00 O ATOM 0 H SER A 752 2.922 -1.306 1.580 1.00 0.00 H new ATOM 0 HA SER A 752 0.678 -1.626 3.201 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.581 -1.353 3.497 1.00 0.00 H new ATOM 0 HB3 SER A 752 2.722 -0.618 4.836 1.00 0.00 H new ATOM 0 HG SER A 752 3.118 -2.876 5.181 1.00 0.00 H new ATOM 493 N HIS A 753 1.603 1.461 2.739 1.00 0.00 N ATOM 494 CA HIS A 753 1.223 2.856 2.943 1.00 0.00 C ATOM 495 C HIS A 753 -0.071 3.168 2.197 1.00 0.00 C ATOM 496 O HIS A 753 -0.803 4.091 2.555 1.00 0.00 O ATOM 497 CB HIS A 753 2.327 3.794 2.451 1.00 0.00 C ATOM 498 CG HIS A 753 3.657 3.559 3.094 1.00 0.00 C ATOM 499 ND1 HIS A 753 4.019 4.075 4.317 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.729 2.855 2.650 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.273 3.681 4.574 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.749 2.937 3.593 1.00 0.00 N ATOM 0 H HIS A 753 2.335 1.320 2.042 1.00 0.00 H new ATOM 0 HA HIS A 753 1.073 3.011 4.011 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.432 3.681 1.372 1.00 0.00 H new ATOM 0 HB3 HIS A 753 2.023 4.824 2.635 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.436 4.655 4.921 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.782 2.317 1.715 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.823 3.938 5.467 1.00 0.00 H new ATOM 510 N TRP A 754 -0.338 2.388 1.155 1.00 0.00 N ATOM 511 CA TRP A 754 -1.533 2.564 0.342 1.00 0.00 C ATOM 512 C TRP A 754 -2.766 2.011 1.046 1.00 0.00 C ATOM 513 O TRP A 754 -2.659 1.207 1.971 1.00 0.00 O ATOM 514 CB TRP A 754 -1.364 1.848 -0.997 1.00 0.00 C ATOM 515 CG TRP A 754 -0.405 2.519 -1.930 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.667 3.294 -1.599 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.436 2.464 -3.356 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.301 3.728 -2.740 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.642 3.230 -3.831 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.276 1.837 -4.275 1.00 0.00 C ATOM 521 CZ2 TRP A 754 0.900 3.386 -5.191 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -1.020 1.990 -5.622 1.00 0.00 C ATOM 523 CH2 TRP A 754 0.060 2.760 -6.070 1.00 0.00 C ATOM 0 H TRP A 754 0.264 1.622 0.853 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.670 3.633 0.180 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -1.022 0.830 -0.812 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.337 1.775 -1.483 1.00 0.00 H new ATOM 0 HD1 TRP A 754 0.973 3.532 -0.591 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.128 4.324 -2.768 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -2.112 1.242 -3.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.733 3.979 -5.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.663 1.508 -6.343 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.233 2.862 -7.131 1.00 0.00 H new ATOM 534 N LYS A 755 -3.936 2.427 0.578 1.00 0.00 N ATOM 535 CA LYS A 755 -5.194 1.953 1.135 1.00 0.00 C ATOM 536 C LYS A 755 -5.578 0.647 0.458 1.00 0.00 C ATOM 537 O LYS A 755 -5.804 0.616 -0.747 1.00 0.00 O ATOM 538 CB LYS A 755 -6.295 2.997 0.930 1.00 0.00 C ATOM 539 CG LYS A 755 -6.508 3.900 2.133 1.00 0.00 C ATOM 540 CD LYS A 755 -6.608 5.361 1.722 1.00 0.00 C ATOM 541 CE LYS A 755 -6.806 6.266 2.927 1.00 0.00 C ATOM 542 NZ LYS A 755 -5.847 7.405 2.930 1.00 0.00 N ATOM 0 H LYS A 755 -4.039 3.093 -0.188 1.00 0.00 H new ATOM 0 HA LYS A 755 -5.075 1.788 2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -6.045 3.611 0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.230 2.486 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -7.418 3.604 2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -5.683 3.774 2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -5.702 5.653 1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -7.439 5.489 1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -7.826 6.650 2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -6.683 5.685 3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -6.015 7.998 3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -4.874 7.039 2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -5.981 7.974 2.070 1.00 0.00 H new ATOM 556 N VAL A 756 -5.625 -0.437 1.222 1.00 0.00 N ATOM 557 CA VAL A 756 -5.955 -1.736 0.651 1.00 0.00 C ATOM 558 C VAL A 756 -7.171 -2.367 1.306 1.00 0.00 C ATOM 559 O VAL A 756 -7.280 -2.423 2.531 1.00 0.00 O ATOM 560 CB VAL A 756 -4.769 -2.711 0.759 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.071 -4.014 0.032 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.510 -2.069 0.206 1.00 0.00 C ATOM 0 H VAL A 756 -5.441 -0.444 2.225 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.186 -1.551 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 756 -4.608 -2.943 1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.218 -4.687 0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -5.951 -4.482 0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.260 -3.807 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -2.678 -2.769 0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -3.664 -1.810 -0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.282 -1.167 0.774 1.00 0.00 H new ATOM 572 N CYS A 757 -8.071 -2.862 0.468 1.00 0.00 N ATOM 573 CA CYS A 757 -9.278 -3.522 0.939 1.00 0.00 C ATOM 574 C CYS A 757 -8.945 -4.944 1.392 1.00 0.00 C ATOM 575 O CYS A 757 -8.295 -5.696 0.665 1.00 0.00 O ATOM 576 CB CYS A 757 -10.330 -3.543 -0.170 1.00 0.00 C ATOM 577 SG CYS A 757 -11.947 -4.161 0.352 1.00 0.00 S ATOM 0 H CYS A 757 -7.986 -2.818 -0.547 1.00 0.00 H new ATOM 0 HA CYS A 757 -9.683 -2.970 1.787 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.449 -2.533 -0.561 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -9.965 -4.161 -0.990 1.00 0.00 H new ATOM 0 HG CYS A 757 -12.165 -5.321 -0.194 1.00 0.00 H new ATOM 582 N PRO A 758 -9.364 -5.331 2.610 1.00 0.00 N ATOM 583 CA PRO A 758 -9.082 -6.657 3.156 1.00 0.00 C ATOM 584 C PRO A 758 -10.092 -7.720 2.731 1.00 0.00 C ATOM 585 O PRO A 758 -9.894 -8.907 2.987 1.00 0.00 O ATOM 586 CB PRO A 758 -9.169 -6.417 4.660 1.00 0.00 C ATOM 587 CG PRO A 758 -10.200 -5.350 4.808 1.00 0.00 C ATOM 588 CD PRO A 758 -10.127 -4.500 3.562 1.00 0.00 C ATOM 0 HA PRO A 758 -8.125 -7.044 2.805 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -9.458 -7.324 5.191 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -8.209 -6.101 5.068 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -11.193 -5.785 4.922 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.011 -4.750 5.698 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.120 -4.265 3.180 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -9.626 -3.551 3.754 1.00 0.00 H new ATOM 596 N MET A 759 -11.177 -7.296 2.092 1.00 0.00 N ATOM 597 CA MET A 759 -12.205 -8.230 1.656 1.00 0.00 C ATOM 598 C MET A 759 -11.898 -8.802 0.274 1.00 0.00 C ATOM 599 O MET A 759 -12.319 -9.911 -0.053 1.00 0.00 O ATOM 600 CB MET A 759 -13.565 -7.537 1.645 1.00 0.00 C ATOM 601 CG MET A 759 -13.945 -6.935 2.987 1.00 0.00 C ATOM 602 SD MET A 759 -15.153 -7.930 3.882 1.00 0.00 S ATOM 603 CE MET A 759 -14.640 -7.639 5.574 1.00 0.00 C ATOM 0 H MET A 759 -11.365 -6.319 1.866 1.00 0.00 H new ATOM 0 HA MET A 759 -12.224 -9.060 2.362 1.00 0.00 H new ATOM 0 HB2 MET A 759 -13.558 -6.750 0.891 1.00 0.00 H new ATOM 0 HB3 MET A 759 -14.329 -8.256 1.348 1.00 0.00 H new ATOM 0 HG2 MET A 759 -13.049 -6.824 3.597 1.00 0.00 H new ATOM 0 HG3 MET A 759 -14.349 -5.935 2.830 1.00 0.00 H new ATOM 0 HE1 MET A 759 -14.302 -8.575 6.018 1.00 0.00 H new ATOM 0 HE2 MET A 759 -13.825 -6.916 5.588 1.00 0.00 H new ATOM 0 HE3 MET A 759 -15.481 -7.249 6.147 1.00 0.00 H new ATOM 613 N CYS A 760 -11.161 -8.046 -0.533 1.00 0.00 N ATOM 614 CA CYS A 760 -10.803 -8.497 -1.877 1.00 0.00 C ATOM 615 C CYS A 760 -9.305 -8.339 -2.153 1.00 0.00 C ATOM 616 O CYS A 760 -8.771 -8.964 -3.068 1.00 0.00 O ATOM 617 CB CYS A 760 -11.610 -7.733 -2.927 1.00 0.00 C ATOM 618 SG CYS A 760 -11.147 -5.995 -3.092 1.00 0.00 S ATOM 0 H CYS A 760 -10.801 -7.125 -0.284 1.00 0.00 H new ATOM 0 HA CYS A 760 -11.042 -9.559 -1.938 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -11.487 -8.224 -3.892 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -12.668 -7.793 -2.671 1.00 0.00 H new ATOM 0 HG CYS A 760 -12.113 -5.245 -2.652 1.00 0.00 H new ATOM 623 N SER A 761 -8.634 -7.503 -1.358 1.00 0.00 N ATOM 624 CA SER A 761 -7.198 -7.264 -1.514 1.00 0.00 C ATOM 625 C SER A 761 -6.918 -6.256 -2.626 1.00 0.00 C ATOM 626 O SER A 761 -5.910 -6.356 -3.326 1.00 0.00 O ATOM 627 CB SER A 761 -6.452 -8.573 -1.796 1.00 0.00 C ATOM 628 OG SER A 761 -6.982 -9.639 -1.027 1.00 0.00 O ATOM 0 H SER A 761 -9.064 -6.978 -0.597 1.00 0.00 H new ATOM 0 HA SER A 761 -6.836 -6.848 -0.574 1.00 0.00 H new ATOM 0 HB2 SER A 761 -6.524 -8.815 -2.856 1.00 0.00 H new ATOM 0 HB3 SER A 761 -5.393 -8.448 -1.569 1.00 0.00 H new ATOM 0 HG SER A 761 -6.490 -10.463 -1.227 1.00 0.00 H new ATOM 634 N GLU A 762 -7.803 -5.275 -2.774 1.00 0.00 N ATOM 635 CA GLU A 762 -7.636 -4.240 -3.791 1.00 0.00 C ATOM 636 C GLU A 762 -6.671 -3.174 -3.302 1.00 0.00 C ATOM 637 O GLU A 762 -6.643 -2.855 -2.114 1.00 0.00 O ATOM 638 CB GLU A 762 -8.984 -3.599 -4.135 1.00 0.00 C ATOM 639 CG GLU A 762 -9.571 -4.087 -5.450 1.00 0.00 C ATOM 640 CD GLU A 762 -9.779 -2.965 -6.449 1.00 0.00 C ATOM 641 OE1 GLU A 762 -8.899 -2.084 -6.544 1.00 0.00 O ATOM 642 OE2 GLU A 762 -10.822 -2.968 -7.136 1.00 0.00 O ATOM 0 H GLU A 762 -8.643 -5.174 -2.204 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.230 -4.706 -4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -9.691 -3.806 -3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -8.861 -2.517 -4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -8.908 -4.836 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -10.525 -4.578 -5.258 1.00 0.00 H new ATOM 649 N GLN A 763 -5.880 -2.618 -4.214 1.00 0.00 N ATOM 650 CA GLN A 763 -4.930 -1.588 -3.834 1.00 0.00 C ATOM 651 C GLN A 763 -5.401 -0.215 -4.295 1.00 0.00 C ATOM 652 O GLN A 763 -5.764 -0.020 -5.454 1.00 0.00 O ATOM 653 CB GLN A 763 -3.555 -1.894 -4.434 1.00 0.00 C ATOM 654 CG GLN A 763 -2.510 -2.268 -3.398 1.00 0.00 C ATOM 655 CD GLN A 763 -1.936 -1.058 -2.687 1.00 0.00 C ATOM 656 OE1 GLN A 763 -2.559 -0.501 -1.784 1.00 0.00 O ATOM 657 NE2 GLN A 763 -0.745 -0.639 -3.097 1.00 0.00 N ATOM 0 H GLN A 763 -5.879 -2.861 -5.205 1.00 0.00 H new ATOM 0 HA GLN A 763 -4.855 -1.579 -2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -3.654 -2.710 -5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.208 -1.023 -4.990 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -2.955 -2.939 -2.664 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -1.703 -2.817 -3.883 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -0.263 -1.130 -3.849 1.00 0.00 H new ATOM 0 HE22 GLN A 763 -0.312 0.174 -2.660 1.00 0.00 H new ATOM 666 N PHE A 764 -5.372 0.732 -3.369 1.00 0.00 N ATOM 667 CA PHE A 764 -5.773 2.105 -3.648 1.00 0.00 C ATOM 668 C PHE A 764 -4.613 3.070 -3.406 1.00 0.00 C ATOM 669 O PHE A 764 -4.165 3.227 -2.269 1.00 0.00 O ATOM 670 CB PHE A 764 -6.975 2.490 -2.783 1.00 0.00 C ATOM 671 CG PHE A 764 -8.187 1.640 -3.038 1.00 0.00 C ATOM 672 CD1 PHE A 764 -9.090 1.980 -4.032 1.00 0.00 C ATOM 673 CD2 PHE A 764 -8.422 0.500 -2.286 1.00 0.00 C ATOM 674 CE1 PHE A 764 -10.204 1.197 -4.273 1.00 0.00 C ATOM 675 CE2 PHE A 764 -9.533 -0.286 -2.521 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.425 0.062 -3.515 1.00 0.00 C ATOM 0 H PHE A 764 -5.072 0.573 -2.407 1.00 0.00 H new ATOM 0 HA PHE A 764 -6.058 2.173 -4.698 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.698 2.410 -1.732 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -7.227 3.534 -2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -8.922 2.867 -4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -7.728 0.223 -1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -10.900 1.472 -5.052 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -9.704 -1.172 -1.928 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.294 -0.551 -3.700 1.00 0.00 H new ATOM 686 N PRO A 765 -4.101 3.734 -4.457 1.00 0.00 N ATOM 687 CA PRO A 765 -2.988 4.678 -4.314 1.00 0.00 C ATOM 688 C PRO A 765 -3.316 5.808 -3.341 1.00 0.00 C ATOM 689 O PRO A 765 -4.480 6.159 -3.153 1.00 0.00 O ATOM 690 CB PRO A 765 -2.799 5.231 -5.730 1.00 0.00 C ATOM 691 CG PRO A 765 -3.400 4.204 -6.624 1.00 0.00 C ATOM 692 CD PRO A 765 -4.550 3.618 -5.855 1.00 0.00 C ATOM 0 HA PRO A 765 -2.096 4.198 -3.911 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -3.294 6.195 -5.847 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.744 5.384 -5.957 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.741 4.650 -7.559 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.671 3.436 -6.884 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.475 4.167 -6.030 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.737 2.581 -6.135 1.00 0.00 H new ATOM 700 N PRO A 766 -2.287 6.389 -2.701 1.00 0.00 N ATOM 701 CA PRO A 766 -2.470 7.478 -1.736 1.00 0.00 C ATOM 702 C PRO A 766 -3.294 8.632 -2.303 1.00 0.00 C ATOM 703 O PRO A 766 -3.872 9.418 -1.552 1.00 0.00 O ATOM 704 CB PRO A 766 -1.039 7.937 -1.440 1.00 0.00 C ATOM 705 CG PRO A 766 -0.191 6.749 -1.734 1.00 0.00 C ATOM 706 CD PRO A 766 -0.868 6.026 -2.863 1.00 0.00 C ATOM 0 HA PRO A 766 -3.018 7.148 -0.854 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.759 8.787 -2.063 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.931 8.253 -0.402 1.00 0.00 H new ATOM 0 HG2 PRO A 766 0.819 7.050 -2.013 1.00 0.00 H new ATOM 0 HG3 PRO A 766 -0.101 6.107 -0.858 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.481 6.342 -3.832 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.719 4.948 -2.796 1.00 0.00 H new ATOM 714 N ASP A 767 -3.345 8.728 -3.628 1.00 0.00 N ATOM 715 CA ASP A 767 -4.101 9.789 -4.286 1.00 0.00 C ATOM 716 C ASP A 767 -5.586 9.441 -4.369 1.00 0.00 C ATOM 717 O ASP A 767 -6.413 10.296 -4.686 1.00 0.00 O ATOM 718 CB ASP A 767 -3.545 10.042 -5.688 1.00 0.00 C ATOM 719 CG ASP A 767 -3.457 8.773 -6.513 1.00 0.00 C ATOM 720 OD1 ASP A 767 -4.457 8.423 -7.172 1.00 0.00 O ATOM 721 OD2 ASP A 767 -2.387 8.129 -6.500 1.00 0.00 O ATOM 0 H ASP A 767 -2.874 8.086 -4.266 1.00 0.00 H new ATOM 0 HA ASP A 767 -3.997 10.695 -3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -4.180 10.763 -6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -2.554 10.489 -5.608 1.00 0.00 H new ATOM 726 N TYR A 768 -5.922 8.185 -4.084 1.00 0.00 N ATOM 727 CA TYR A 768 -7.310 7.739 -4.129 1.00 0.00 C ATOM 728 C TYR A 768 -8.141 8.442 -3.062 1.00 0.00 C ATOM 729 O TYR A 768 -7.618 8.868 -2.032 1.00 0.00 O ATOM 730 CB TYR A 768 -7.389 6.223 -3.933 1.00 0.00 C ATOM 731 CG TYR A 768 -8.400 5.548 -4.832 1.00 0.00 C ATOM 732 CD1 TYR A 768 -8.082 5.220 -6.144 1.00 0.00 C ATOM 733 CD2 TYR A 768 -9.672 5.237 -4.367 1.00 0.00 C ATOM 734 CE1 TYR A 768 -9.004 4.604 -6.968 1.00 0.00 C ATOM 735 CE2 TYR A 768 -10.599 4.620 -5.185 1.00 0.00 C ATOM 736 CZ TYR A 768 -10.260 4.305 -6.484 1.00 0.00 C ATOM 737 OH TYR A 768 -11.181 3.690 -7.301 1.00 0.00 O ATOM 0 H TYR A 768 -5.254 7.461 -3.820 1.00 0.00 H new ATOM 0 HA TYR A 768 -7.715 7.994 -5.109 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -6.406 5.790 -4.116 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -7.641 6.012 -2.894 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -7.098 5.450 -6.526 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.940 5.481 -3.350 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.742 4.358 -7.986 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -11.584 4.386 -4.809 1.00 0.00 H new ATOM 0 HH TYR A 768 -12.015 3.549 -6.806 1.00 0.00 H new ATOM 747 N ASP A 769 -9.441 8.559 -3.313 1.00 0.00 N ATOM 748 CA ASP A 769 -10.345 9.208 -2.372 1.00 0.00 C ATOM 749 C ASP A 769 -10.839 8.213 -1.327 1.00 0.00 C ATOM 750 O ASP A 769 -11.353 7.147 -1.665 1.00 0.00 O ATOM 751 CB ASP A 769 -11.535 9.820 -3.113 1.00 0.00 C ATOM 752 CG ASP A 769 -11.992 11.127 -2.494 1.00 0.00 C ATOM 753 OD1 ASP A 769 -11.767 11.319 -1.280 1.00 0.00 O ATOM 754 OD2 ASP A 769 -12.576 11.957 -3.221 1.00 0.00 O ATOM 0 H ASP A 769 -9.891 8.213 -4.160 1.00 0.00 H new ATOM 0 HA ASP A 769 -9.797 10.002 -1.865 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -11.262 9.990 -4.155 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -12.363 9.112 -3.112 1.00 0.00 H new ATOM 759 N GLN A 770 -10.680 8.567 -0.056 1.00 0.00 N ATOM 760 CA GLN A 770 -11.109 7.703 1.038 1.00 0.00 C ATOM 761 C GLN A 770 -12.589 7.357 0.909 1.00 0.00 C ATOM 762 O GLN A 770 -13.011 6.255 1.257 1.00 0.00 O ATOM 763 CB GLN A 770 -10.842 8.378 2.385 1.00 0.00 C ATOM 764 CG GLN A 770 -10.222 7.450 3.415 1.00 0.00 C ATOM 765 CD GLN A 770 -11.236 6.924 4.412 1.00 0.00 C ATOM 766 OE1 GLN A 770 -12.036 7.683 4.960 1.00 0.00 O ATOM 767 NE2 GLN A 770 -11.207 5.619 4.650 1.00 0.00 N ATOM 0 H GLN A 770 -10.257 9.446 0.242 1.00 0.00 H new ATOM 0 HA GLN A 770 -10.534 6.778 0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -10.180 9.230 2.231 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -11.780 8.770 2.778 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -9.751 6.610 2.905 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -9.434 7.981 3.949 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -10.526 5.028 4.172 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -11.866 5.206 5.311 1.00 0.00 H new ATOM 776 N GLN A 771 -13.371 8.303 0.399 1.00 0.00 N ATOM 777 CA GLN A 771 -14.802 8.090 0.218 1.00 0.00 C ATOM 778 C GLN A 771 -15.049 6.924 -0.731 1.00 0.00 C ATOM 779 O GLN A 771 -15.877 6.052 -0.461 1.00 0.00 O ATOM 780 CB GLN A 771 -15.464 9.358 -0.325 1.00 0.00 C ATOM 781 CG GLN A 771 -16.967 9.404 -0.096 1.00 0.00 C ATOM 782 CD GLN A 771 -17.405 10.638 0.668 1.00 0.00 C ATOM 783 OE1 GLN A 771 -18.059 11.523 0.118 1.00 0.00 O ATOM 784 NE2 GLN A 771 -17.044 10.703 1.945 1.00 0.00 N ATOM 0 H GLN A 771 -13.039 9.221 0.105 1.00 0.00 H new ATOM 0 HA GLN A 771 -15.241 7.852 1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -15.006 10.228 0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -15.265 9.433 -1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -17.478 9.377 -1.058 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -17.274 8.514 0.453 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -16.502 9.946 2.361 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -17.309 11.510 2.510 1.00 0.00 H new ATOM 793 N VAL A 772 -14.314 6.908 -1.839 1.00 0.00 N ATOM 794 CA VAL A 772 -14.442 5.845 -2.825 1.00 0.00 C ATOM 795 C VAL A 772 -13.939 4.524 -2.255 1.00 0.00 C ATOM 796 O VAL A 772 -14.526 3.469 -2.492 1.00 0.00 O ATOM 797 CB VAL A 772 -13.660 6.170 -4.112 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.934 5.125 -5.184 1.00 0.00 C ATOM 799 CG2 VAL A 772 -14.010 7.562 -4.616 1.00 0.00 C ATOM 0 H VAL A 772 -13.624 7.621 -2.075 1.00 0.00 H new ATOM 0 HA VAL A 772 -15.500 5.760 -3.072 1.00 0.00 H new ATOM 0 HB VAL A 772 -12.595 6.150 -3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -13.373 5.372 -6.085 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.626 4.144 -4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -15.000 5.110 -5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -13.447 7.772 -5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -15.078 7.614 -4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -13.756 8.299 -3.854 1.00 0.00 H new ATOM 809 N PHE A 773 -12.853 4.593 -1.493 1.00 0.00 N ATOM 810 CA PHE A 773 -12.281 3.402 -0.882 1.00 0.00 C ATOM 811 C PHE A 773 -13.224 2.839 0.175 1.00 0.00 C ATOM 812 O PHE A 773 -13.540 1.649 0.170 1.00 0.00 O ATOM 813 CB PHE A 773 -10.924 3.718 -0.246 1.00 0.00 C ATOM 814 CG PHE A 773 -10.400 2.599 0.611 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.373 1.297 0.134 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.952 2.847 1.899 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.908 0.266 0.925 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.487 1.817 2.694 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.465 0.526 2.207 1.00 0.00 C ATOM 0 H PHE A 773 -12.354 5.458 -1.285 1.00 0.00 H new ATOM 0 HA PHE A 773 -12.138 2.657 -1.665 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -10.202 3.934 -1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -11.014 4.620 0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.720 1.088 -0.867 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.967 3.856 2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -9.891 -0.744 0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -9.141 2.022 3.696 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.102 -0.280 2.828 1.00 0.00 H new ATOM 829 N GLU A 774 -13.668 3.703 1.084 1.00 0.00 N ATOM 830 CA GLU A 774 -14.571 3.293 2.152 1.00 0.00 C ATOM 831 C GLU A 774 -15.809 2.616 1.581 1.00 0.00 C ATOM 832 O GLU A 774 -16.232 1.566 2.064 1.00 0.00 O ATOM 833 CB GLU A 774 -14.975 4.499 3.001 1.00 0.00 C ATOM 834 CG GLU A 774 -14.097 4.701 4.225 1.00 0.00 C ATOM 835 CD GLU A 774 -14.572 3.901 5.422 1.00 0.00 C ATOM 836 OE1 GLU A 774 -14.359 2.670 5.435 1.00 0.00 O ATOM 837 OE2 GLU A 774 -15.157 4.504 6.346 1.00 0.00 O ATOM 0 H GLU A 774 -13.416 4.691 1.101 1.00 0.00 H new ATOM 0 HA GLU A 774 -14.047 2.577 2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.936 5.397 2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -16.009 4.377 3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -13.073 4.415 3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -14.079 5.760 4.484 1.00 0.00 H new ATOM 844 N ARG A 775 -16.380 3.213 0.540 1.00 0.00 N ATOM 845 CA ARG A 775 -17.559 2.646 -0.096 1.00 0.00 C ATOM 846 C ARG A 775 -17.224 1.285 -0.703 1.00 0.00 C ATOM 847 O ARG A 775 -18.018 0.347 -0.626 1.00 0.00 O ATOM 848 CB ARG A 775 -18.120 3.610 -1.156 1.00 0.00 C ATOM 849 CG ARG A 775 -17.648 3.339 -2.578 1.00 0.00 C ATOM 850 CD ARG A 775 -18.535 2.319 -3.275 1.00 0.00 C ATOM 851 NE ARG A 775 -19.578 2.959 -4.074 1.00 0.00 N ATOM 852 CZ ARG A 775 -20.694 2.347 -4.466 1.00 0.00 C ATOM 853 NH1 ARG A 775 -20.915 1.080 -4.140 1.00 0.00 N ATOM 854 NH2 ARG A 775 -21.591 3.004 -5.188 1.00 0.00 N ATOM 0 H ARG A 775 -16.047 4.082 0.123 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.332 2.500 0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -19.209 3.559 -1.133 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -17.843 4.628 -0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -17.647 4.270 -3.146 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -16.620 2.976 -2.558 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -17.924 1.685 -3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -18.995 1.669 -2.531 1.00 0.00 H new ATOM 0 HE ARG A 775 -19.443 3.932 -4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -20.228 0.569 -3.586 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -21.772 0.617 -4.443 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -21.426 3.978 -5.443 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -22.446 2.536 -5.488 1.00 0.00 H new ATOM 868 N HIS A 776 -16.035 1.184 -1.296 1.00 0.00 N ATOM 869 CA HIS A 776 -15.592 -0.064 -1.905 1.00 0.00 C ATOM 870 C HIS A 776 -15.477 -1.165 -0.856 1.00 0.00 C ATOM 871 O HIS A 776 -15.977 -2.272 -1.047 1.00 0.00 O ATOM 872 CB HIS A 776 -14.241 0.129 -2.603 1.00 0.00 C ATOM 873 CG HIS A 776 -13.497 -1.152 -2.832 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.565 -1.880 -3.998 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.664 -1.843 -2.009 1.00 0.00 C ATOM 876 CE1 HIS A 776 -12.793 -2.965 -3.848 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.224 -2.985 -2.662 1.00 0.00 N ATOM 0 H HIS A 776 -15.365 1.950 -1.366 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.335 -0.360 -2.645 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.404 0.622 -3.562 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.623 0.796 -2.002 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -14.106 -1.637 -4.828 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.389 -1.550 -1.007 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -12.656 -3.725 -4.603 1.00 0.00 H new ATOM 885 N VAL A 777 -14.819 -0.852 0.255 1.00 0.00 N ATOM 886 CA VAL A 777 -14.651 -1.824 1.327 1.00 0.00 C ATOM 887 C VAL A 777 -15.998 -2.129 1.970 1.00 0.00 C ATOM 888 O VAL A 777 -16.238 -3.240 2.441 1.00 0.00 O ATOM 889 CB VAL A 777 -13.667 -1.349 2.418 1.00 0.00 C ATOM 890 CG1 VAL A 777 -12.932 -2.536 3.019 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.674 -0.336 1.874 1.00 0.00 C ATOM 0 H VAL A 777 -14.397 0.059 0.435 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.231 -2.721 0.872 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.249 -0.858 3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.242 -2.186 3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -13.652 -3.222 3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.374 -3.052 2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -11.998 -0.025 2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.099 -0.788 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.212 0.533 1.495 1.00 0.00 H new ATOM 901 N GLN A 778 -16.876 -1.129 1.976 1.00 0.00 N ATOM 902 CA GLN A 778 -18.206 -1.279 2.548 1.00 0.00 C ATOM 903 C GLN A 778 -19.032 -2.269 1.736 1.00 0.00 C ATOM 904 O GLN A 778 -19.841 -3.016 2.286 1.00 0.00 O ATOM 905 CB GLN A 778 -18.917 0.074 2.606 1.00 0.00 C ATOM 906 CG GLN A 778 -18.542 0.909 3.818 1.00 0.00 C ATOM 907 CD GLN A 778 -18.986 0.274 5.121 1.00 0.00 C ATOM 908 OE1 GLN A 778 -20.087 -0.267 5.218 1.00 0.00 O ATOM 909 NE2 GLN A 778 -18.128 0.339 6.133 1.00 0.00 N ATOM 0 H GLN A 778 -16.687 -0.204 1.589 1.00 0.00 H new ATOM 0 HA GLN A 778 -18.100 -1.665 3.562 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.683 0.636 1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -19.994 -0.091 2.609 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -17.462 1.051 3.837 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -18.992 1.898 3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -17.225 0.797 6.008 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -18.372 -0.070 7.035 1.00 0.00 H new ATOM 918 N THR A 779 -18.821 -2.272 0.423 1.00 0.00 N ATOM 919 CA THR A 779 -19.542 -3.172 -0.462 1.00 0.00 C ATOM 920 C THR A 779 -19.292 -4.625 -0.079 1.00 0.00 C ATOM 921 O THR A 779 -20.116 -5.500 -0.344 1.00 0.00 O ATOM 922 CB THR A 779 -19.127 -2.935 -1.913 1.00 0.00 C ATOM 923 OG1 THR A 779 -17.833 -3.457 -2.160 1.00 0.00 O ATOM 924 CG2 THR A 779 -19.117 -1.474 -2.305 1.00 0.00 C ATOM 0 H THR A 779 -18.156 -1.660 -0.049 1.00 0.00 H new ATOM 0 HA THR A 779 -20.608 -2.967 -0.360 1.00 0.00 H new ATOM 0 HB THR A 779 -19.879 -3.448 -2.512 1.00 0.00 H new ATOM 0 HG1 THR A 779 -17.246 -3.246 -1.404 1.00 0.00 H new ATOM 0 HG21 THR A 779 -18.813 -1.379 -3.348 1.00 0.00 H new ATOM 0 HG22 THR A 779 -20.116 -1.057 -2.179 1.00 0.00 H new ATOM 0 HG23 THR A 779 -18.415 -0.932 -1.672 1.00 0.00 H new ATOM 932 N HIS A 780 -18.148 -4.873 0.546 1.00 0.00 N ATOM 933 CA HIS A 780 -17.783 -6.215 0.967 1.00 0.00 C ATOM 934 C HIS A 780 -18.406 -6.554 2.319 1.00 0.00 C ATOM 935 O HIS A 780 -18.703 -7.714 2.603 1.00 0.00 O ATOM 936 CB HIS A 780 -16.263 -6.340 1.044 1.00 0.00 C ATOM 937 CG HIS A 780 -15.586 -6.166 -0.280 1.00 0.00 C ATOM 938 ND1 HIS A 780 -15.604 -7.114 -1.279 1.00 0.00 N ATOM 939 CD2 HIS A 780 -14.860 -5.123 -0.766 1.00 0.00 C ATOM 940 CE1 HIS A 780 -14.906 -6.633 -2.315 1.00 0.00 C ATOM 941 NE2 HIS A 780 -14.435 -5.428 -2.055 1.00 0.00 N ATOM 0 H HIS A 780 -17.456 -4.158 0.772 1.00 0.00 H new ATOM 0 HA HIS A 780 -18.166 -6.921 0.230 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -15.879 -5.595 1.741 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -16.006 -7.319 1.450 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -16.067 -8.022 -1.237 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -14.648 -4.206 -0.236 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -14.749 -7.162 -3.243 1.00 0.00 H new ATOM 949 N PHE A 781 -18.602 -5.535 3.149 1.00 0.00 N ATOM 950 CA PHE A 781 -19.191 -5.728 4.470 1.00 0.00 C ATOM 951 C PHE A 781 -20.677 -6.055 4.361 1.00 0.00 C ATOM 952 O PHE A 781 -21.240 -6.728 5.225 1.00 0.00 O ATOM 953 CB PHE A 781 -18.996 -4.476 5.331 1.00 0.00 C ATOM 954 CG PHE A 781 -17.567 -4.012 5.420 1.00 0.00 C ATOM 955 CD1 PHE A 781 -16.516 -4.908 5.294 1.00 0.00 C ATOM 956 CD2 PHE A 781 -17.278 -2.674 5.635 1.00 0.00 C ATOM 957 CE1 PHE A 781 -15.205 -4.476 5.379 1.00 0.00 C ATOM 958 CE2 PHE A 781 -15.970 -2.237 5.720 1.00 0.00 C ATOM 959 CZ PHE A 781 -14.932 -3.139 5.591 1.00 0.00 C ATOM 0 H PHE A 781 -18.362 -4.568 2.931 1.00 0.00 H new ATOM 0 HA PHE A 781 -18.684 -6.569 4.944 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -19.605 -3.669 4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -19.365 -4.678 6.337 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -16.724 -5.955 5.128 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.085 -1.964 5.737 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -14.395 -5.184 5.280 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -15.759 -1.191 5.887 1.00 0.00 H new ATOM 0 HZ PHE A 781 -13.909 -2.799 5.656 1.00 0.00 H new ATOM 969 N ASP A 782 -21.310 -5.574 3.294 1.00 0.00 N ATOM 970 CA ASP A 782 -22.731 -5.816 3.074 1.00 0.00 C ATOM 971 C ASP A 782 -22.948 -6.980 2.111 1.00 0.00 C ATOM 972 O ASP A 782 -23.989 -7.073 1.460 1.00 0.00 O ATOM 973 CB ASP A 782 -23.404 -4.556 2.527 1.00 0.00 C ATOM 974 CG ASP A 782 -24.850 -4.435 2.969 1.00 0.00 C ATOM 975 OD1 ASP A 782 -25.715 -5.099 2.359 1.00 0.00 O ATOM 976 OD2 ASP A 782 -25.118 -3.677 3.925 1.00 0.00 O ATOM 0 H ASP A 782 -20.860 -5.015 2.569 1.00 0.00 H new ATOM 0 HA ASP A 782 -23.180 -6.076 4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -22.850 -3.678 2.860 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -23.359 -4.567 1.438 1.00 0.00 H new