USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 411 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 759 HIS : no HE2:sc= -0.809 K(o=0.069,f=-11!) USER MOD Set 1.2: A 769 HIS : no HD1:sc= 0.878 K(o=0.069,f=-9!) USER MOD Set 1.3: A 771 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 737 MET CE :methyl -171:sc= -0.151 (180deg=-0.155) USER MOD Set 2.2: A 765 HIS : no HE2:sc= 0.407 K(o=0.26,f=-2.9!) USER MOD Single : A 728 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 732 MET CE :methyl -157:sc= -0.0805 (180deg=-0.51) USER MOD Single : A 739 SER OG : rot 180:sc= 0.184 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 LYS NZ :NH3+ -166:sc= -0.0258 (180deg=-0.208) USER MOD Single : A 742 MET CE :methyl 167:sc= -0.0569 (180deg=-0.368) USER MOD Single : A 743 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 749 SER OG : rot 180:sc= -1.05 USER MOD Single : A 751 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.48) USER MOD Single : A 752 SER OG : rot 180:sc= 0.00276 USER MOD Single : A 753 HIS : no HE2:sc= 0.0679 K(o=0.068,f=-3.7!) USER MOD Single : A 760 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.8) USER MOD Single : A 781 THR OG1 : rot 180:sc= 0 USER MOD Single : A 783 SER OG : rot 180:sc= -0.936 USER MOD Single : A 784 LYS NZ :NH3+ -108:sc= 1.51 (180deg=0.186) USER MOD ----------------------------------------------------------------- ATOM 143 N HIS A 728 12.254 -12.184 -23.044 1.00 0.00 N ATOM 144 CA HIS A 728 13.236 -13.254 -22.919 1.00 0.00 C ATOM 145 C HIS A 728 14.136 -13.036 -21.709 1.00 0.00 C ATOM 146 O HIS A 728 14.225 -13.893 -20.835 1.00 0.00 O ATOM 147 CB HIS A 728 14.082 -13.353 -24.195 1.00 0.00 C ATOM 148 CG HIS A 728 14.928 -14.589 -24.273 1.00 0.00 C ATOM 149 ND1 HIS A 728 14.547 -15.740 -24.928 1.00 0.00 N ATOM 150 CD2 HIS A 728 16.165 -14.836 -23.771 1.00 0.00 C ATOM 151 CE1 HIS A 728 15.539 -16.631 -24.803 1.00 0.00 C ATOM 152 NE2 HIS A 728 16.546 -16.131 -24.110 1.00 0.00 N ATOM 0 HA HIS A 728 12.696 -14.190 -22.777 1.00 0.00 H new ATOM 0 HB2 HIS A 728 13.420 -13.323 -25.060 1.00 0.00 H new ATOM 0 HB3 HIS A 728 14.729 -12.478 -24.258 1.00 0.00 H new ATOM 0 HD2 HIS A 728 16.759 -14.138 -23.199 1.00 0.00 H new ATOM 0 HE1 HIS A 728 15.518 -17.629 -25.215 1.00 0.00 H new ATOM 0 HE2 HIS A 728 17.422 -16.597 -23.872 1.00 0.00 H new ATOM 160 N PHE A 729 14.774 -11.875 -21.645 1.00 0.00 N ATOM 161 CA PHE A 729 15.743 -11.598 -20.596 1.00 0.00 C ATOM 162 C PHE A 729 15.058 -11.425 -19.250 1.00 0.00 C ATOM 163 O PHE A 729 15.555 -11.896 -18.228 1.00 0.00 O ATOM 164 CB PHE A 729 16.566 -10.362 -20.946 1.00 0.00 C ATOM 165 CG PHE A 729 17.366 -10.548 -22.198 1.00 0.00 C ATOM 166 CD1 PHE A 729 18.303 -11.561 -22.278 1.00 0.00 C ATOM 167 CD2 PHE A 729 17.169 -9.732 -23.300 1.00 0.00 C ATOM 168 CE1 PHE A 729 19.035 -11.758 -23.428 1.00 0.00 C ATOM 169 CE2 PHE A 729 17.898 -9.927 -24.457 1.00 0.00 C ATOM 170 CZ PHE A 729 18.833 -10.941 -24.520 1.00 0.00 C ATOM 0 H PHE A 729 14.637 -11.111 -22.307 1.00 0.00 H new ATOM 0 HA PHE A 729 16.415 -12.452 -20.520 1.00 0.00 H new ATOM 0 HB2 PHE A 729 15.900 -9.507 -21.066 1.00 0.00 H new ATOM 0 HB3 PHE A 729 17.238 -10.129 -20.120 1.00 0.00 H new ATOM 0 HD1 PHE A 729 18.463 -12.207 -21.427 1.00 0.00 H new ATOM 0 HD2 PHE A 729 16.440 -8.937 -23.254 1.00 0.00 H new ATOM 0 HE1 PHE A 729 19.766 -12.551 -23.474 1.00 0.00 H new ATOM 0 HE2 PHE A 729 17.737 -9.287 -25.312 1.00 0.00 H new ATOM 0 HZ PHE A 729 19.405 -11.094 -25.423 1.00 0.00 H new ATOM 180 N ARG A 730 13.911 -10.761 -19.261 1.00 0.00 N ATOM 181 CA ARG A 730 13.100 -10.587 -18.060 1.00 0.00 C ATOM 182 C ARG A 730 12.773 -11.949 -17.446 1.00 0.00 C ATOM 183 O ARG A 730 12.812 -12.126 -16.227 1.00 0.00 O ATOM 184 CB ARG A 730 11.810 -9.850 -18.423 1.00 0.00 C ATOM 185 CG ARG A 730 11.017 -9.330 -17.237 1.00 0.00 C ATOM 186 CD ARG A 730 9.678 -8.761 -17.687 1.00 0.00 C ATOM 187 NE ARG A 730 9.048 -7.943 -16.658 1.00 0.00 N ATOM 188 CZ ARG A 730 7.843 -8.171 -16.140 1.00 0.00 C ATOM 189 NH1 ARG A 730 7.113 -9.202 -16.550 1.00 0.00 N ATOM 190 NH2 ARG A 730 7.364 -7.349 -15.216 1.00 0.00 N ATOM 0 H ARG A 730 13.516 -10.329 -20.097 1.00 0.00 H new ATOM 0 HA ARG A 730 13.657 -10.001 -17.329 1.00 0.00 H new ATOM 0 HB2 ARG A 730 12.059 -9.010 -19.072 1.00 0.00 H new ATOM 0 HB3 ARG A 730 11.175 -10.522 -19.000 1.00 0.00 H new ATOM 0 HG2 ARG A 730 10.852 -10.137 -16.523 1.00 0.00 H new ATOM 0 HG3 ARG A 730 11.590 -8.559 -16.721 1.00 0.00 H new ATOM 0 HD2 ARG A 730 9.825 -8.161 -18.585 1.00 0.00 H new ATOM 0 HD3 ARG A 730 9.010 -9.580 -17.956 1.00 0.00 H new ATOM 0 HE ARG A 730 9.568 -7.138 -16.310 1.00 0.00 H new ATOM 0 HH11 ARG A 730 7.474 -9.829 -17.269 1.00 0.00 H new ATOM 0 HH12 ARG A 730 6.191 -9.367 -16.146 1.00 0.00 H new ATOM 0 HH21 ARG A 730 7.918 -6.550 -14.908 1.00 0.00 H new ATOM 0 HH22 ARG A 730 6.442 -7.516 -14.814 1.00 0.00 H new ATOM 204 N ALA A 731 12.472 -12.913 -18.312 1.00 0.00 N ATOM 205 CA ALA A 731 12.158 -14.268 -17.885 1.00 0.00 C ATOM 206 C ALA A 731 13.410 -14.988 -17.387 1.00 0.00 C ATOM 207 O ALA A 731 13.375 -15.675 -16.368 1.00 0.00 O ATOM 208 CB ALA A 731 11.514 -15.043 -19.025 1.00 0.00 C ATOM 0 H ALA A 731 12.440 -12.776 -19.322 1.00 0.00 H new ATOM 0 HA ALA A 731 11.451 -14.211 -17.057 1.00 0.00 H new ATOM 0 HB1 ALA A 731 11.284 -16.055 -18.693 1.00 0.00 H new ATOM 0 HB2 ALA A 731 10.595 -14.544 -19.331 1.00 0.00 H new ATOM 0 HB3 ALA A 731 12.202 -15.086 -19.870 1.00 0.00 H new ATOM 214 N MET A 732 14.515 -14.821 -18.103 1.00 0.00 N ATOM 215 CA MET A 732 15.778 -15.433 -17.712 1.00 0.00 C ATOM 216 C MET A 732 16.221 -14.937 -16.338 1.00 0.00 C ATOM 217 O MET A 732 16.755 -15.703 -15.533 1.00 0.00 O ATOM 218 CB MET A 732 16.846 -15.123 -18.760 1.00 0.00 C ATOM 219 CG MET A 732 16.480 -15.626 -20.144 1.00 0.00 C ATOM 220 SD MET A 732 16.986 -17.329 -20.438 1.00 0.00 S ATOM 221 CE MET A 732 18.759 -17.111 -20.548 1.00 0.00 C ATOM 0 H MET A 732 14.562 -14.267 -18.958 1.00 0.00 H new ATOM 0 HA MET A 732 15.639 -16.512 -17.650 1.00 0.00 H new ATOM 0 HB2 MET A 732 17.005 -14.045 -18.801 1.00 0.00 H new ATOM 0 HB3 MET A 732 17.790 -15.573 -18.453 1.00 0.00 H new ATOM 0 HG2 MET A 732 15.401 -15.546 -20.279 1.00 0.00 H new ATOM 0 HG3 MET A 732 16.943 -14.982 -20.892 1.00 0.00 H new ATOM 0 HE1 MET A 732 19.193 -17.936 -21.113 1.00 0.00 H new ATOM 0 HE2 MET A 732 18.979 -16.170 -21.053 1.00 0.00 H new ATOM 0 HE3 MET A 732 19.186 -17.093 -19.545 1.00 0.00 H new ATOM 231 N ILE A 733 15.977 -13.659 -16.077 1.00 0.00 N ATOM 232 CA ILE A 733 16.344 -13.038 -14.809 1.00 0.00 C ATOM 233 C ILE A 733 15.460 -13.535 -13.664 1.00 0.00 C ATOM 234 O ILE A 733 15.956 -13.802 -12.566 1.00 0.00 O ATOM 235 CB ILE A 733 16.278 -11.495 -14.910 1.00 0.00 C ATOM 236 CG1 ILE A 733 17.366 -10.989 -15.865 1.00 0.00 C ATOM 237 CG2 ILE A 733 16.427 -10.847 -13.540 1.00 0.00 C ATOM 238 CD1 ILE A 733 17.351 -9.489 -16.073 1.00 0.00 C ATOM 0 H ILE A 733 15.521 -13.026 -16.734 1.00 0.00 H new ATOM 0 HA ILE A 733 17.372 -13.328 -14.590 1.00 0.00 H new ATOM 0 HB ILE A 733 15.300 -11.217 -15.304 1.00 0.00 H new ATOM 0 HG12 ILE A 733 18.341 -11.282 -15.477 1.00 0.00 H new ATOM 0 HG13 ILE A 733 17.246 -11.481 -16.830 1.00 0.00 H new ATOM 0 HG21 ILE A 733 16.377 -9.763 -13.643 1.00 0.00 H new ATOM 0 HG22 ILE A 733 15.623 -11.187 -12.887 1.00 0.00 H new ATOM 0 HG23 ILE A 733 17.388 -11.126 -13.108 1.00 0.00 H new ATOM 0 HD11 ILE A 733 18.149 -9.209 -16.760 1.00 0.00 H new ATOM 0 HD12 ILE A 733 16.390 -9.189 -16.491 1.00 0.00 H new ATOM 0 HD13 ILE A 733 17.503 -8.988 -15.117 1.00 0.00 H new ATOM 250 N VAL A 734 14.160 -13.682 -13.909 1.00 0.00 N ATOM 251 CA VAL A 734 13.257 -14.135 -12.856 1.00 0.00 C ATOM 252 C VAL A 734 13.552 -15.591 -12.480 1.00 0.00 C ATOM 253 O VAL A 734 13.449 -15.965 -11.310 1.00 0.00 O ATOM 254 CB VAL A 734 11.759 -13.954 -13.226 1.00 0.00 C ATOM 255 CG1 VAL A 734 11.313 -14.938 -14.296 1.00 0.00 C ATOM 256 CG2 VAL A 734 10.885 -14.076 -11.986 1.00 0.00 C ATOM 0 H VAL A 734 13.716 -13.498 -14.809 1.00 0.00 H new ATOM 0 HA VAL A 734 13.442 -13.500 -11.989 1.00 0.00 H new ATOM 0 HB VAL A 734 11.644 -12.952 -13.640 1.00 0.00 H new ATOM 0 HG11 VAL A 734 10.259 -14.775 -14.523 1.00 0.00 H new ATOM 0 HG12 VAL A 734 11.906 -14.788 -15.198 1.00 0.00 H new ATOM 0 HG13 VAL A 734 11.453 -15.957 -13.935 1.00 0.00 H new ATOM 0 HG21 VAL A 734 9.839 -13.947 -12.264 1.00 0.00 H new ATOM 0 HG22 VAL A 734 11.023 -15.061 -11.539 1.00 0.00 H new ATOM 0 HG23 VAL A 734 11.167 -13.308 -11.265 1.00 0.00 H new ATOM 266 N GLU A 735 13.953 -16.400 -13.464 1.00 0.00 N ATOM 267 CA GLU A 735 14.396 -17.766 -13.194 1.00 0.00 C ATOM 268 C GLU A 735 15.637 -17.734 -12.324 1.00 0.00 C ATOM 269 O GLU A 735 15.752 -18.469 -11.350 1.00 0.00 O ATOM 270 CB GLU A 735 14.737 -18.510 -14.485 1.00 0.00 C ATOM 271 CG GLU A 735 13.584 -18.662 -15.453 1.00 0.00 C ATOM 272 CD GLU A 735 14.002 -19.403 -16.704 1.00 0.00 C ATOM 273 OE1 GLU A 735 14.753 -18.826 -17.518 1.00 0.00 O ATOM 274 OE2 GLU A 735 13.602 -20.572 -16.875 1.00 0.00 O ATOM 0 H GLU A 735 13.979 -16.133 -14.448 1.00 0.00 H new ATOM 0 HA GLU A 735 13.580 -18.284 -12.691 1.00 0.00 H new ATOM 0 HB2 GLU A 735 15.548 -17.983 -14.988 1.00 0.00 H new ATOM 0 HB3 GLU A 735 15.111 -19.501 -14.229 1.00 0.00 H new ATOM 0 HG2 GLU A 735 12.768 -19.198 -14.967 1.00 0.00 H new ATOM 0 HG3 GLU A 735 13.202 -17.677 -15.723 1.00 0.00 H new ATOM 281 N PHE A 736 16.559 -16.860 -12.701 1.00 0.00 N ATOM 282 CA PHE A 736 17.821 -16.692 -12.002 1.00 0.00 C ATOM 283 C PHE A 736 17.605 -16.341 -10.532 1.00 0.00 C ATOM 284 O PHE A 736 18.256 -16.902 -9.648 1.00 0.00 O ATOM 285 CB PHE A 736 18.632 -15.606 -12.711 1.00 0.00 C ATOM 286 CG PHE A 736 19.837 -15.129 -11.963 1.00 0.00 C ATOM 287 CD1 PHE A 736 20.907 -15.973 -11.726 1.00 0.00 C ATOM 288 CD2 PHE A 736 19.899 -13.825 -11.505 1.00 0.00 C ATOM 289 CE1 PHE A 736 22.018 -15.525 -11.043 1.00 0.00 C ATOM 290 CE2 PHE A 736 21.010 -13.370 -10.824 1.00 0.00 C ATOM 291 CZ PHE A 736 22.070 -14.223 -10.592 1.00 0.00 C ATOM 0 H PHE A 736 16.450 -16.244 -13.507 1.00 0.00 H new ATOM 0 HA PHE A 736 18.370 -17.634 -12.023 1.00 0.00 H new ATOM 0 HB2 PHE A 736 18.952 -15.987 -13.681 1.00 0.00 H new ATOM 0 HB3 PHE A 736 17.980 -14.753 -12.903 1.00 0.00 H new ATOM 0 HD1 PHE A 736 20.872 -16.993 -12.079 1.00 0.00 H new ATOM 0 HD2 PHE A 736 19.070 -13.156 -11.682 1.00 0.00 H new ATOM 0 HE1 PHE A 736 22.847 -16.193 -10.861 1.00 0.00 H new ATOM 0 HE2 PHE A 736 21.050 -12.349 -10.474 1.00 0.00 H new ATOM 0 HZ PHE A 736 22.940 -13.871 -10.057 1.00 0.00 H new ATOM 301 N MET A 737 16.683 -15.424 -10.270 1.00 0.00 N ATOM 302 CA MET A 737 16.408 -15.006 -8.903 1.00 0.00 C ATOM 303 C MET A 737 15.738 -16.126 -8.112 1.00 0.00 C ATOM 304 O MET A 737 15.989 -16.283 -6.920 1.00 0.00 O ATOM 305 CB MET A 737 15.545 -13.740 -8.867 1.00 0.00 C ATOM 306 CG MET A 737 16.197 -12.543 -9.548 1.00 0.00 C ATOM 307 SD MET A 737 15.462 -10.966 -9.065 1.00 0.00 S ATOM 308 CE MET A 737 13.739 -11.238 -9.461 1.00 0.00 C ATOM 0 H MET A 737 16.117 -14.959 -10.980 1.00 0.00 H new ATOM 0 HA MET A 737 17.365 -14.776 -8.435 1.00 0.00 H new ATOM 0 HB2 MET A 737 14.590 -13.947 -9.349 1.00 0.00 H new ATOM 0 HB3 MET A 737 15.330 -13.485 -7.829 1.00 0.00 H new ATOM 0 HG2 MET A 737 17.260 -12.530 -9.308 1.00 0.00 H new ATOM 0 HG3 MET A 737 16.116 -12.659 -10.629 1.00 0.00 H new ATOM 0 HE1 MET A 737 13.192 -10.300 -9.367 1.00 0.00 H new ATOM 0 HE2 MET A 737 13.654 -11.607 -10.483 1.00 0.00 H new ATOM 0 HE3 MET A 737 13.320 -11.973 -8.774 1.00 0.00 H new ATOM 318 N ALA A 738 14.910 -16.913 -8.785 1.00 0.00 N ATOM 319 CA ALA A 738 14.214 -18.022 -8.141 1.00 0.00 C ATOM 320 C ALA A 738 15.140 -19.222 -7.954 1.00 0.00 C ATOM 321 O ALA A 738 14.975 -20.009 -7.021 1.00 0.00 O ATOM 322 CB ALA A 738 12.990 -18.418 -8.956 1.00 0.00 C ATOM 0 H ALA A 738 14.703 -16.805 -9.778 1.00 0.00 H new ATOM 0 HA ALA A 738 13.891 -17.692 -7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 738 12.479 -19.246 -8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 738 12.313 -17.567 -9.032 1.00 0.00 H new ATOM 0 HB3 ALA A 738 13.301 -18.724 -9.955 1.00 0.00 H new ATOM 328 N SER A 739 16.118 -19.348 -8.837 1.00 0.00 N ATOM 329 CA SER A 739 17.061 -20.453 -8.786 1.00 0.00 C ATOM 330 C SER A 739 18.150 -20.180 -7.748 1.00 0.00 C ATOM 331 O SER A 739 18.084 -19.203 -7.002 1.00 0.00 O ATOM 332 CB SER A 739 17.678 -20.683 -10.175 1.00 0.00 C ATOM 333 OG SER A 739 18.502 -21.839 -10.197 1.00 0.00 O ATOM 0 H SER A 739 16.280 -18.694 -9.602 1.00 0.00 H new ATOM 0 HA SER A 739 16.529 -21.357 -8.489 1.00 0.00 H new ATOM 0 HB2 SER A 739 16.883 -20.788 -10.914 1.00 0.00 H new ATOM 0 HB3 SER A 739 18.266 -19.811 -10.461 1.00 0.00 H new ATOM 0 HG SER A 739 18.877 -21.957 -11.095 1.00 0.00 H new ATOM 339 N LYS A 740 19.161 -21.036 -7.720 1.00 0.00 N ATOM 340 CA LYS A 740 20.212 -20.958 -6.716 1.00 0.00 C ATOM 341 C LYS A 740 21.531 -20.522 -7.344 1.00 0.00 C ATOM 342 O LYS A 740 22.592 -20.608 -6.723 1.00 0.00 O ATOM 343 CB LYS A 740 20.378 -22.294 -5.962 1.00 0.00 C ATOM 344 CG LYS A 740 20.593 -23.531 -6.838 1.00 0.00 C ATOM 345 CD LYS A 740 19.316 -24.008 -7.532 1.00 0.00 C ATOM 346 CE LYS A 740 18.171 -24.248 -6.553 1.00 0.00 C ATOM 347 NZ LYS A 740 18.477 -25.336 -5.587 1.00 0.00 N ATOM 0 H LYS A 740 19.276 -21.799 -8.387 1.00 0.00 H new ATOM 0 HA LYS A 740 19.914 -20.205 -5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 740 21.224 -22.203 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 740 19.492 -22.456 -5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 740 21.347 -23.307 -7.593 1.00 0.00 H new ATOM 0 HG3 LYS A 740 20.988 -24.339 -6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 740 19.009 -23.266 -8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 740 19.524 -24.930 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 740 17.963 -23.328 -6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 740 17.268 -24.501 -7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 17.671 -25.464 -4.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 18.650 -26.221 -6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 19.324 -25.085 -5.038 1.00 0.00 H new ATOM 361 N LYS A 741 21.456 -20.050 -8.581 1.00 0.00 N ATOM 362 CA LYS A 741 22.607 -19.445 -9.232 1.00 0.00 C ATOM 363 C LYS A 741 22.888 -18.089 -8.602 1.00 0.00 C ATOM 364 O LYS A 741 21.960 -17.357 -8.253 1.00 0.00 O ATOM 365 CB LYS A 741 22.361 -19.265 -10.730 1.00 0.00 C ATOM 366 CG LYS A 741 22.356 -20.560 -11.523 1.00 0.00 C ATOM 367 CD LYS A 741 22.092 -20.302 -13.001 1.00 0.00 C ATOM 368 CE LYS A 741 22.253 -21.564 -13.838 1.00 0.00 C ATOM 369 NZ LYS A 741 23.659 -22.053 -13.852 1.00 0.00 N ATOM 0 H LYS A 741 20.611 -20.075 -9.152 1.00 0.00 H new ATOM 0 HA LYS A 741 23.463 -20.106 -9.100 1.00 0.00 H new ATOM 0 HB2 LYS A 741 21.404 -18.763 -10.871 1.00 0.00 H new ATOM 0 HB3 LYS A 741 23.129 -18.607 -11.136 1.00 0.00 H new ATOM 0 HG2 LYS A 741 23.315 -21.065 -11.405 1.00 0.00 H new ATOM 0 HG3 LYS A 741 21.593 -21.229 -11.126 1.00 0.00 H new ATOM 0 HD2 LYS A 741 21.082 -19.910 -13.126 1.00 0.00 H new ATOM 0 HD3 LYS A 741 22.778 -19.536 -13.364 1.00 0.00 H new ATOM 0 HE2 LYS A 741 21.602 -22.345 -13.444 1.00 0.00 H new ATOM 0 HE3 LYS A 741 21.929 -21.364 -14.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 741 23.774 -22.758 -14.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 741 24.303 -21.254 -14.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 741 23.884 -22.489 -12.935 1.00 0.00 H new ATOM 383 N MET A 742 24.159 -17.758 -8.451 1.00 0.00 N ATOM 384 CA MET A 742 24.538 -16.464 -7.911 1.00 0.00 C ATOM 385 C MET A 742 25.026 -15.547 -9.021 1.00 0.00 C ATOM 386 O MET A 742 25.132 -14.339 -8.828 1.00 0.00 O ATOM 387 CB MET A 742 25.615 -16.602 -6.831 1.00 0.00 C ATOM 388 CG MET A 742 26.904 -17.254 -7.309 1.00 0.00 C ATOM 389 SD MET A 742 28.242 -17.103 -6.104 1.00 0.00 S ATOM 390 CE MET A 742 27.525 -17.929 -4.684 1.00 0.00 C ATOM 0 H MET A 742 24.943 -18.364 -8.693 1.00 0.00 H new ATOM 0 HA MET A 742 23.652 -16.026 -7.451 1.00 0.00 H new ATOM 0 HB2 MET A 742 25.847 -15.612 -6.438 1.00 0.00 H new ATOM 0 HB3 MET A 742 25.211 -17.187 -6.005 1.00 0.00 H new ATOM 0 HG2 MET A 742 26.720 -18.309 -7.513 1.00 0.00 H new ATOM 0 HG3 MET A 742 27.212 -16.796 -8.249 1.00 0.00 H new ATOM 0 HE1 MET A 742 28.302 -18.121 -3.944 1.00 0.00 H new ATOM 0 HE2 MET A 742 26.755 -17.295 -4.245 1.00 0.00 H new ATOM 0 HE3 MET A 742 27.081 -18.874 -4.998 1.00 0.00 H new ATOM 400 N GLN A 743 25.318 -16.132 -10.179 1.00 0.00 N ATOM 401 CA GLN A 743 25.779 -15.372 -11.336 1.00 0.00 C ATOM 402 C GLN A 743 25.159 -15.919 -12.623 1.00 0.00 C ATOM 403 O GLN A 743 25.400 -17.065 -13.002 1.00 0.00 O ATOM 404 CB GLN A 743 27.308 -15.417 -11.448 1.00 0.00 C ATOM 405 CG GLN A 743 28.038 -14.775 -10.276 1.00 0.00 C ATOM 406 CD GLN A 743 29.546 -14.806 -10.428 1.00 0.00 C ATOM 407 OE1 GLN A 743 30.024 -14.706 -11.657 1.00 0.00 O flip ATOM 408 NE2 GLN A 743 30.279 -14.903 -9.440 1.00 0.00 N flip ATOM 0 H GLN A 743 25.243 -17.136 -10.341 1.00 0.00 H new ATOM 0 HA GLN A 743 25.465 -14.337 -11.198 1.00 0.00 H new ATOM 0 HB2 GLN A 743 27.625 -16.457 -11.533 1.00 0.00 H new ATOM 0 HB3 GLN A 743 27.609 -14.916 -12.368 1.00 0.00 H new ATOM 0 HG2 GLN A 743 27.710 -13.741 -10.174 1.00 0.00 H new ATOM 0 HG3 GLN A 743 27.760 -15.290 -9.356 1.00 0.00 H new ATOM 0 HE21 GLN A 743 29.871 -14.978 -8.508 1.00 0.00 H new ATOM 0 HE22 GLN A 743 31.292 -14.908 -9.555 1.00 0.00 H new ATOM 417 N LEU A 744 24.359 -15.095 -13.283 1.00 0.00 N ATOM 418 CA LEU A 744 23.742 -15.464 -14.546 1.00 0.00 C ATOM 419 C LEU A 744 24.670 -15.065 -15.680 1.00 0.00 C ATOM 420 O LEU A 744 24.790 -13.886 -16.017 1.00 0.00 O ATOM 421 CB LEU A 744 22.383 -14.767 -14.708 1.00 0.00 C ATOM 422 CG LEU A 744 21.337 -15.511 -15.556 1.00 0.00 C ATOM 423 CD1 LEU A 744 20.063 -14.690 -15.664 1.00 0.00 C ATOM 424 CD2 LEU A 744 21.865 -15.835 -16.945 1.00 0.00 C ATOM 0 H LEU A 744 24.121 -14.157 -12.960 1.00 0.00 H new ATOM 0 HA LEU A 744 23.575 -16.541 -14.565 1.00 0.00 H new ATOM 0 HB2 LEU A 744 21.964 -14.599 -13.716 1.00 0.00 H new ATOM 0 HB3 LEU A 744 22.551 -13.787 -15.154 1.00 0.00 H new ATOM 0 HG LEU A 744 21.118 -16.453 -15.053 1.00 0.00 H new ATOM 0 HD11 LEU A 744 19.333 -15.229 -16.267 1.00 0.00 H new ATOM 0 HD12 LEU A 744 19.655 -14.518 -14.668 1.00 0.00 H new ATOM 0 HD13 LEU A 744 20.286 -13.733 -16.135 1.00 0.00 H new ATOM 0 HD21 LEU A 744 21.097 -16.360 -17.513 1.00 0.00 H new ATOM 0 HD22 LEU A 744 22.128 -14.911 -17.459 1.00 0.00 H new ATOM 0 HD23 LEU A 744 22.749 -16.467 -16.860 1.00 0.00 H new ATOM 436 N GLU A 745 25.344 -16.047 -16.236 1.00 0.00 N ATOM 437 CA GLU A 745 26.269 -15.821 -17.336 1.00 0.00 C ATOM 438 C GLU A 745 25.541 -15.895 -18.675 1.00 0.00 C ATOM 439 O GLU A 745 25.276 -16.983 -19.188 1.00 0.00 O ATOM 440 CB GLU A 745 27.388 -16.858 -17.288 1.00 0.00 C ATOM 441 CG GLU A 745 28.148 -16.863 -15.974 1.00 0.00 C ATOM 442 CD GLU A 745 28.978 -18.112 -15.799 1.00 0.00 C ATOM 443 OE1 GLU A 745 28.435 -19.116 -15.285 1.00 0.00 O ATOM 444 OE2 GLU A 745 30.165 -18.104 -16.184 1.00 0.00 O ATOM 0 H GLU A 745 25.271 -17.022 -15.944 1.00 0.00 H new ATOM 0 HA GLU A 745 26.698 -14.824 -17.234 1.00 0.00 H new ATOM 0 HB2 GLU A 745 26.964 -17.848 -17.458 1.00 0.00 H new ATOM 0 HB3 GLU A 745 28.086 -16.666 -18.103 1.00 0.00 H new ATOM 0 HG2 GLU A 745 28.797 -15.988 -15.928 1.00 0.00 H new ATOM 0 HG3 GLU A 745 27.442 -16.779 -15.148 1.00 0.00 H new ATOM 451 N PHE A 746 25.205 -14.735 -19.225 1.00 0.00 N ATOM 452 CA PHE A 746 24.532 -14.667 -20.515 1.00 0.00 C ATOM 453 C PHE A 746 25.527 -14.909 -21.646 1.00 0.00 C ATOM 454 O PHE A 746 26.722 -14.652 -21.488 1.00 0.00 O ATOM 455 CB PHE A 746 23.871 -13.300 -20.708 1.00 0.00 C ATOM 456 CG PHE A 746 22.625 -13.091 -19.897 1.00 0.00 C ATOM 457 CD1 PHE A 746 21.392 -13.475 -20.399 1.00 0.00 C ATOM 458 CD2 PHE A 746 22.680 -12.499 -18.647 1.00 0.00 C ATOM 459 CE1 PHE A 746 20.238 -13.272 -19.671 1.00 0.00 C ATOM 460 CE2 PHE A 746 21.528 -12.295 -17.913 1.00 0.00 C ATOM 461 CZ PHE A 746 20.305 -12.682 -18.426 1.00 0.00 C ATOM 0 H PHE A 746 25.388 -13.827 -18.797 1.00 0.00 H new ATOM 0 HA PHE A 746 23.764 -15.441 -20.536 1.00 0.00 H new ATOM 0 HB2 PHE A 746 24.591 -12.523 -20.451 1.00 0.00 H new ATOM 0 HB3 PHE A 746 23.628 -13.174 -21.763 1.00 0.00 H new ATOM 0 HD1 PHE A 746 21.334 -13.939 -21.372 1.00 0.00 H new ATOM 0 HD2 PHE A 746 23.633 -12.194 -18.242 1.00 0.00 H new ATOM 0 HE1 PHE A 746 19.283 -13.575 -20.075 1.00 0.00 H new ATOM 0 HE2 PHE A 746 21.583 -11.833 -16.938 1.00 0.00 H new ATOM 0 HZ PHE A 746 19.403 -12.523 -17.853 1.00 0.00 H new ATOM 471 N PRO A 747 25.051 -15.416 -22.795 1.00 0.00 N ATOM 472 CA PRO A 747 25.889 -15.615 -23.984 1.00 0.00 C ATOM 473 C PRO A 747 26.377 -14.288 -24.575 1.00 0.00 C ATOM 474 O PRO A 747 25.764 -13.240 -24.364 1.00 0.00 O ATOM 475 CB PRO A 747 24.959 -16.327 -24.979 1.00 0.00 C ATOM 476 CG PRO A 747 23.806 -16.816 -24.172 1.00 0.00 C ATOM 477 CD PRO A 747 23.666 -15.858 -23.026 1.00 0.00 C ATOM 0 HA PRO A 747 26.791 -16.181 -23.749 1.00 0.00 H new ATOM 0 HB2 PRO A 747 24.628 -15.645 -25.762 1.00 0.00 H new ATOM 0 HB3 PRO A 747 25.471 -17.154 -25.471 1.00 0.00 H new ATOM 0 HG2 PRO A 747 22.895 -16.844 -24.770 1.00 0.00 H new ATOM 0 HG3 PRO A 747 23.983 -17.830 -23.813 1.00 0.00 H new ATOM 0 HD2 PRO A 747 23.012 -15.023 -23.276 1.00 0.00 H new ATOM 0 HD3 PRO A 747 23.244 -16.341 -22.145 1.00 0.00 H new ATOM 485 N PRO A 748 27.496 -14.320 -25.319 1.00 0.00 N ATOM 486 CA PRO A 748 28.050 -13.129 -25.982 1.00 0.00 C ATOM 487 C PRO A 748 27.206 -12.670 -27.168 1.00 0.00 C ATOM 488 O PRO A 748 27.477 -11.635 -27.781 1.00 0.00 O ATOM 489 CB PRO A 748 29.420 -13.601 -26.465 1.00 0.00 C ATOM 490 CG PRO A 748 29.288 -15.076 -26.615 1.00 0.00 C ATOM 491 CD PRO A 748 28.327 -15.515 -25.550 1.00 0.00 C ATOM 0 HA PRO A 748 28.084 -12.272 -25.309 1.00 0.00 H new ATOM 0 HB2 PRO A 748 29.689 -13.131 -27.411 1.00 0.00 H new ATOM 0 HB3 PRO A 748 30.201 -13.345 -25.749 1.00 0.00 H new ATOM 0 HG2 PRO A 748 28.917 -15.336 -27.606 1.00 0.00 H new ATOM 0 HG3 PRO A 748 30.253 -15.568 -26.497 1.00 0.00 H new ATOM 0 HD2 PRO A 748 27.726 -16.364 -25.877 1.00 0.00 H new ATOM 0 HD3 PRO A 748 28.847 -15.823 -24.643 1.00 0.00 H new ATOM 499 N SER A 749 26.187 -13.456 -27.485 1.00 0.00 N ATOM 500 CA SER A 749 25.282 -13.158 -28.581 1.00 0.00 C ATOM 501 C SER A 749 24.486 -11.880 -28.308 1.00 0.00 C ATOM 502 O SER A 749 24.036 -11.206 -29.239 1.00 0.00 O ATOM 503 CB SER A 749 24.338 -14.340 -28.794 1.00 0.00 C ATOM 504 OG SER A 749 23.728 -14.725 -27.574 1.00 0.00 O ATOM 0 H SER A 749 25.966 -14.319 -26.988 1.00 0.00 H new ATOM 0 HA SER A 749 25.869 -12.994 -29.485 1.00 0.00 H new ATOM 0 HB2 SER A 749 23.571 -14.072 -29.520 1.00 0.00 H new ATOM 0 HB3 SER A 749 24.891 -15.182 -29.211 1.00 0.00 H new ATOM 0 HG SER A 749 23.127 -15.482 -27.734 1.00 0.00 H new ATOM 510 N LEU A 750 24.324 -11.558 -27.027 1.00 0.00 N ATOM 511 CA LEU A 750 23.636 -10.341 -26.614 1.00 0.00 C ATOM 512 C LEU A 750 24.349 -9.111 -27.161 1.00 0.00 C ATOM 513 O LEU A 750 25.513 -8.867 -26.842 1.00 0.00 O ATOM 514 CB LEU A 750 23.568 -10.244 -25.087 1.00 0.00 C ATOM 515 CG LEU A 750 22.446 -11.036 -24.409 1.00 0.00 C ATOM 516 CD1 LEU A 750 22.648 -12.536 -24.569 1.00 0.00 C ATOM 517 CD2 LEU A 750 22.367 -10.655 -22.941 1.00 0.00 C ATOM 0 H LEU A 750 24.663 -12.129 -26.253 1.00 0.00 H new ATOM 0 HA LEU A 750 22.623 -10.382 -27.015 1.00 0.00 H new ATOM 0 HB2 LEU A 750 24.521 -10.582 -24.679 1.00 0.00 H new ATOM 0 HB3 LEU A 750 23.459 -9.194 -24.815 1.00 0.00 H new ATOM 0 HG LEU A 750 21.503 -10.784 -24.895 1.00 0.00 H new ATOM 0 HD11 LEU A 750 21.834 -13.067 -24.076 1.00 0.00 H new ATOM 0 HD12 LEU A 750 22.658 -12.791 -25.629 1.00 0.00 H new ATOM 0 HD13 LEU A 750 23.597 -12.826 -24.117 1.00 0.00 H new ATOM 0 HD21 LEU A 750 21.568 -11.220 -22.461 1.00 0.00 H new ATOM 0 HD22 LEU A 750 23.315 -10.883 -22.454 1.00 0.00 H new ATOM 0 HD23 LEU A 750 22.161 -9.588 -22.853 1.00 0.00 H new ATOM 529 N ASN A 751 23.654 -8.348 -27.990 1.00 0.00 N ATOM 530 CA ASN A 751 24.204 -7.109 -28.520 1.00 0.00 C ATOM 531 C ASN A 751 23.857 -5.945 -27.597 1.00 0.00 C ATOM 532 O ASN A 751 23.255 -6.152 -26.542 1.00 0.00 O ATOM 533 CB ASN A 751 23.720 -6.856 -29.958 1.00 0.00 C ATOM 534 CG ASN A 751 22.262 -7.215 -30.173 1.00 0.00 C ATOM 535 OD1 ASN A 751 21.939 -8.361 -30.488 1.00 0.00 O ATOM 536 ND2 ASN A 751 21.376 -6.242 -30.040 1.00 0.00 N ATOM 0 H ASN A 751 22.710 -8.564 -28.310 1.00 0.00 H new ATOM 0 HA ASN A 751 25.290 -7.199 -28.560 1.00 0.00 H new ATOM 0 HB2 ASN A 751 23.868 -5.804 -30.204 1.00 0.00 H new ATOM 0 HB3 ASN A 751 24.335 -7.434 -30.648 1.00 0.00 H new ATOM 0 HD21 ASN A 751 20.386 -6.428 -30.200 1.00 0.00 H new ATOM 0 HD22 ASN A 751 21.683 -5.305 -29.778 1.00 0.00 H new ATOM 543 N SER A 752 24.237 -4.734 -27.996 1.00 0.00 N ATOM 544 CA SER A 752 24.147 -3.553 -27.135 1.00 0.00 C ATOM 545 C SER A 752 22.785 -3.407 -26.450 1.00 0.00 C ATOM 546 O SER A 752 22.716 -3.302 -25.223 1.00 0.00 O ATOM 547 CB SER A 752 24.451 -2.301 -27.957 1.00 0.00 C ATOM 548 OG SER A 752 25.684 -2.436 -28.643 1.00 0.00 O ATOM 0 H SER A 752 24.616 -4.542 -28.923 1.00 0.00 H new ATOM 0 HA SER A 752 24.883 -3.679 -26.341 1.00 0.00 H new ATOM 0 HB2 SER A 752 23.648 -2.127 -28.674 1.00 0.00 H new ATOM 0 HB3 SER A 752 24.488 -1.431 -27.302 1.00 0.00 H new ATOM 0 HG SER A 752 25.859 -1.625 -29.164 1.00 0.00 H new ATOM 554 N HIS A 753 21.707 -3.415 -27.230 1.00 0.00 N ATOM 555 CA HIS A 753 20.374 -3.193 -26.681 1.00 0.00 C ATOM 556 C HIS A 753 19.950 -4.358 -25.787 1.00 0.00 C ATOM 557 O HIS A 753 19.325 -4.156 -24.746 1.00 0.00 O ATOM 558 CB HIS A 753 19.348 -2.983 -27.802 1.00 0.00 C ATOM 559 CG HIS A 753 18.084 -2.306 -27.348 1.00 0.00 C ATOM 560 ND1 HIS A 753 17.611 -1.128 -27.885 1.00 0.00 N ATOM 561 CD2 HIS A 753 17.190 -2.661 -26.388 1.00 0.00 C ATOM 562 CE1 HIS A 753 16.476 -0.810 -27.249 1.00 0.00 C ATOM 563 NE2 HIS A 753 16.176 -1.710 -26.330 1.00 0.00 N ATOM 0 H HIS A 753 21.730 -3.572 -28.238 1.00 0.00 H new ATOM 0 HA HIS A 753 20.412 -2.289 -26.074 1.00 0.00 H new ATOM 0 HB2 HIS A 753 19.804 -2.388 -28.593 1.00 0.00 H new ATOM 0 HB3 HIS A 753 19.095 -3.950 -28.237 1.00 0.00 H new ATOM 0 HD1 HIS A 753 18.048 -0.593 -28.635 1.00 0.00 H new ATOM 0 HD2 HIS A 753 17.256 -3.543 -25.768 1.00 0.00 H new ATOM 0 HE1 HIS A 753 15.883 0.068 -27.460 1.00 0.00 H new ATOM 571 N ASP A 754 20.308 -5.574 -26.181 1.00 0.00 N ATOM 572 CA ASP A 754 19.954 -6.756 -25.400 1.00 0.00 C ATOM 573 C ASP A 754 20.653 -6.728 -24.049 1.00 0.00 C ATOM 574 O ASP A 754 20.033 -6.978 -23.012 1.00 0.00 O ATOM 575 CB ASP A 754 20.306 -8.040 -26.151 1.00 0.00 C ATOM 576 CG ASP A 754 19.408 -8.277 -27.347 1.00 0.00 C ATOM 577 OD1 ASP A 754 18.182 -8.403 -27.168 1.00 0.00 O ATOM 578 OD2 ASP A 754 19.930 -8.339 -28.476 1.00 0.00 O ATOM 0 H ASP A 754 20.839 -5.768 -27.030 1.00 0.00 H new ATOM 0 HA ASP A 754 18.876 -6.742 -25.240 1.00 0.00 H new ATOM 0 HB2 ASP A 754 21.343 -7.990 -26.483 1.00 0.00 H new ATOM 0 HB3 ASP A 754 20.230 -8.888 -25.470 1.00 0.00 H new ATOM 583 N ARG A 755 21.945 -6.409 -24.063 1.00 0.00 N ATOM 584 CA ARG A 755 22.697 -6.233 -22.827 1.00 0.00 C ATOM 585 C ARG A 755 22.047 -5.137 -21.991 1.00 0.00 C ATOM 586 O ARG A 755 21.781 -5.321 -20.806 1.00 0.00 O ATOM 587 CB ARG A 755 24.157 -5.859 -23.116 1.00 0.00 C ATOM 588 CG ARG A 755 24.925 -6.889 -23.931 1.00 0.00 C ATOM 589 CD ARG A 755 26.379 -6.478 -24.108 1.00 0.00 C ATOM 590 NE ARG A 755 27.130 -7.418 -24.945 1.00 0.00 N ATOM 591 CZ ARG A 755 28.095 -7.066 -25.799 1.00 0.00 C ATOM 592 NH1 ARG A 755 28.435 -5.791 -25.941 1.00 0.00 N ATOM 593 NH2 ARG A 755 28.722 -7.993 -26.514 1.00 0.00 N ATOM 0 H ARG A 755 22.490 -6.268 -24.914 1.00 0.00 H new ATOM 0 HA ARG A 755 22.687 -7.176 -22.281 1.00 0.00 H new ATOM 0 HB2 ARG A 755 24.176 -4.907 -23.647 1.00 0.00 H new ATOM 0 HB3 ARG A 755 24.674 -5.706 -22.168 1.00 0.00 H new ATOM 0 HG2 ARG A 755 24.876 -7.859 -23.435 1.00 0.00 H new ATOM 0 HG3 ARG A 755 24.456 -7.007 -24.908 1.00 0.00 H new ATOM 0 HD2 ARG A 755 26.421 -5.485 -24.555 1.00 0.00 H new ATOM 0 HD3 ARG A 755 26.855 -6.407 -23.130 1.00 0.00 H new ATOM 0 HE ARG A 755 26.900 -8.409 -24.870 1.00 0.00 H new ATOM 0 HH11 ARG A 755 27.959 -5.072 -25.396 1.00 0.00 H new ATOM 0 HH12 ARG A 755 29.173 -5.530 -26.595 1.00 0.00 H new ATOM 0 HH21 ARG A 755 28.467 -8.975 -26.411 1.00 0.00 H new ATOM 0 HH22 ARG A 755 29.459 -7.723 -27.166 1.00 0.00 H new ATOM 607 N LEU A 756 21.769 -4.008 -22.645 1.00 0.00 N ATOM 608 CA LEU A 756 21.143 -2.851 -22.005 1.00 0.00 C ATOM 609 C LEU A 756 19.846 -3.233 -21.299 1.00 0.00 C ATOM 610 O LEU A 756 19.586 -2.789 -20.179 1.00 0.00 O ATOM 611 CB LEU A 756 20.854 -1.773 -23.052 1.00 0.00 C ATOM 612 CG LEU A 756 20.118 -0.536 -22.540 1.00 0.00 C ATOM 613 CD1 LEU A 756 20.989 0.243 -21.567 1.00 0.00 C ATOM 614 CD2 LEU A 756 19.691 0.340 -23.708 1.00 0.00 C ATOM 0 H LEU A 756 21.972 -3.870 -23.635 1.00 0.00 H new ATOM 0 HA LEU A 756 21.837 -2.468 -21.257 1.00 0.00 H new ATOM 0 HB2 LEU A 756 21.800 -1.455 -23.491 1.00 0.00 H new ATOM 0 HB3 LEU A 756 20.265 -2.219 -23.853 1.00 0.00 H new ATOM 0 HG LEU A 756 19.224 -0.858 -22.005 1.00 0.00 H new ATOM 0 HD11 LEU A 756 20.446 1.120 -21.214 1.00 0.00 H new ATOM 0 HD12 LEU A 756 21.244 -0.392 -20.718 1.00 0.00 H new ATOM 0 HD13 LEU A 756 21.903 0.560 -22.070 1.00 0.00 H new ATOM 0 HD21 LEU A 756 19.167 1.219 -23.331 1.00 0.00 H new ATOM 0 HD22 LEU A 756 20.572 0.655 -24.268 1.00 0.00 H new ATOM 0 HD23 LEU A 756 19.027 -0.225 -24.363 1.00 0.00 H new ATOM 626 N ARG A 757 19.033 -4.052 -21.962 1.00 0.00 N ATOM 627 CA ARG A 757 17.766 -4.485 -21.397 1.00 0.00 C ATOM 628 C ARG A 757 18.008 -5.243 -20.096 1.00 0.00 C ATOM 629 O ARG A 757 17.296 -5.046 -19.112 1.00 0.00 O ATOM 630 CB ARG A 757 17.006 -5.369 -22.394 1.00 0.00 C ATOM 631 CG ARG A 757 15.503 -5.139 -22.387 1.00 0.00 C ATOM 632 CD ARG A 757 15.154 -3.774 -22.969 1.00 0.00 C ATOM 633 NE ARG A 757 13.732 -3.460 -22.840 1.00 0.00 N ATOM 634 CZ ARG A 757 13.128 -2.438 -23.456 1.00 0.00 C ATOM 635 NH1 ARG A 757 13.802 -1.666 -24.304 1.00 0.00 N ATOM 636 NH2 ARG A 757 11.842 -2.198 -23.232 1.00 0.00 N ATOM 0 H ARG A 757 19.232 -4.426 -22.890 1.00 0.00 H new ATOM 0 HA ARG A 757 17.159 -3.605 -21.186 1.00 0.00 H new ATOM 0 HB2 ARG A 757 17.389 -5.183 -23.397 1.00 0.00 H new ATOM 0 HB3 ARG A 757 17.206 -6.416 -22.165 1.00 0.00 H new ATOM 0 HG2 ARG A 757 15.010 -5.921 -22.964 1.00 0.00 H new ATOM 0 HG3 ARG A 757 15.126 -5.210 -21.367 1.00 0.00 H new ATOM 0 HD2 ARG A 757 15.740 -3.006 -22.464 1.00 0.00 H new ATOM 0 HD3 ARG A 757 15.435 -3.748 -24.022 1.00 0.00 H new ATOM 0 HE ARG A 757 13.164 -4.059 -22.241 1.00 0.00 H new ATOM 0 HH11 ARG A 757 14.788 -1.851 -24.489 1.00 0.00 H new ATOM 0 HH12 ARG A 757 13.333 -0.889 -24.769 1.00 0.00 H new ATOM 0 HH21 ARG A 757 11.316 -2.792 -22.591 1.00 0.00 H new ATOM 0 HH22 ARG A 757 11.379 -1.419 -23.701 1.00 0.00 H new ATOM 650 N VAL A 758 19.033 -6.094 -20.099 1.00 0.00 N ATOM 651 CA VAL A 758 19.421 -6.833 -18.901 1.00 0.00 C ATOM 652 C VAL A 758 19.899 -5.887 -17.804 1.00 0.00 C ATOM 653 O VAL A 758 19.458 -5.991 -16.658 1.00 0.00 O ATOM 654 CB VAL A 758 20.527 -7.871 -19.199 1.00 0.00 C ATOM 655 CG1 VAL A 758 20.969 -8.578 -17.928 1.00 0.00 C ATOM 656 CG2 VAL A 758 20.043 -8.890 -20.209 1.00 0.00 C ATOM 0 H VAL A 758 19.609 -6.288 -20.918 1.00 0.00 H new ATOM 0 HA VAL A 758 18.532 -7.363 -18.558 1.00 0.00 H new ATOM 0 HB VAL A 758 21.381 -7.336 -19.614 1.00 0.00 H new ATOM 0 HG11 VAL A 758 21.748 -9.303 -18.167 1.00 0.00 H new ATOM 0 HG12 VAL A 758 21.359 -7.846 -17.221 1.00 0.00 H new ATOM 0 HG13 VAL A 758 20.118 -9.093 -17.483 1.00 0.00 H new ATOM 0 HG21 VAL A 758 20.835 -9.612 -20.406 1.00 0.00 H new ATOM 0 HG22 VAL A 758 19.170 -9.408 -19.813 1.00 0.00 H new ATOM 0 HG23 VAL A 758 19.775 -8.384 -21.136 1.00 0.00 H new ATOM 666 N HIS A 759 20.788 -4.961 -18.164 1.00 0.00 N ATOM 667 CA HIS A 759 21.328 -3.998 -17.203 1.00 0.00 C ATOM 668 C HIS A 759 20.209 -3.235 -16.505 1.00 0.00 C ATOM 669 O HIS A 759 20.196 -3.132 -15.281 1.00 0.00 O ATOM 670 CB HIS A 759 22.279 -3.000 -17.881 1.00 0.00 C ATOM 671 CG HIS A 759 23.585 -3.588 -18.321 1.00 0.00 C ATOM 672 ND1 HIS A 759 24.597 -3.830 -17.430 1.00 0.00 N ATOM 673 CD2 HIS A 759 23.998 -3.949 -19.556 1.00 0.00 C ATOM 674 CE1 HIS A 759 25.588 -4.334 -18.132 1.00 0.00 C ATOM 675 NE2 HIS A 759 25.275 -4.426 -19.427 1.00 0.00 N ATOM 0 H HIS A 759 21.149 -4.857 -19.112 1.00 0.00 H new ATOM 0 HA HIS A 759 21.889 -4.568 -16.462 1.00 0.00 H new ATOM 0 HB2 HIS A 759 21.777 -2.571 -18.748 1.00 0.00 H new ATOM 0 HB3 HIS A 759 22.478 -2.180 -17.190 1.00 0.00 H new ATOM 0 HD1 HIS A 759 24.584 -3.655 -16.425 1.00 0.00 H new ATOM 0 HD2 HIS A 759 23.429 -3.875 -20.471 1.00 0.00 H new ATOM 0 HE1 HIS A 759 26.537 -4.636 -17.714 1.00 0.00 H new ATOM 683 N GLN A 760 19.264 -2.723 -17.287 1.00 0.00 N ATOM 684 CA GLN A 760 18.141 -1.963 -16.746 1.00 0.00 C ATOM 685 C GLN A 760 17.326 -2.789 -15.756 1.00 0.00 C ATOM 686 O GLN A 760 17.025 -2.329 -14.652 1.00 0.00 O ATOM 687 CB GLN A 760 17.238 -1.474 -17.876 1.00 0.00 C ATOM 688 CG GLN A 760 17.843 -0.350 -18.697 1.00 0.00 C ATOM 689 CD GLN A 760 16.903 0.150 -19.776 1.00 0.00 C ATOM 690 OE1 GLN A 760 15.682 0.085 -19.637 1.00 0.00 O ATOM 691 NE2 GLN A 760 17.465 0.666 -20.857 1.00 0.00 N ATOM 0 H GLN A 760 19.253 -2.821 -18.302 1.00 0.00 H new ATOM 0 HA GLN A 760 18.553 -1.106 -16.213 1.00 0.00 H new ATOM 0 HB2 GLN A 760 17.010 -2.312 -18.535 1.00 0.00 H new ATOM 0 HB3 GLN A 760 16.293 -1.135 -17.453 1.00 0.00 H new ATOM 0 HG2 GLN A 760 18.106 0.477 -18.037 1.00 0.00 H new ATOM 0 HG3 GLN A 760 18.768 -0.698 -19.157 1.00 0.00 H new ATOM 0 HE21 GLN A 760 18.481 0.702 -20.935 1.00 0.00 H new ATOM 0 HE22 GLN A 760 16.882 1.027 -21.612 1.00 0.00 H new ATOM 700 N ILE A 761 16.976 -4.010 -16.148 1.00 0.00 N ATOM 701 CA ILE A 761 16.153 -4.871 -15.307 1.00 0.00 C ATOM 702 C ILE A 761 16.895 -5.258 -14.028 1.00 0.00 C ATOM 703 O ILE A 761 16.365 -5.114 -12.927 1.00 0.00 O ATOM 704 CB ILE A 761 15.702 -6.142 -16.058 1.00 0.00 C ATOM 705 CG1 ILE A 761 14.824 -5.759 -17.251 1.00 0.00 C ATOM 706 CG2 ILE A 761 14.938 -7.072 -15.122 1.00 0.00 C ATOM 707 CD1 ILE A 761 14.501 -6.920 -18.171 1.00 0.00 C ATOM 0 H ILE A 761 17.248 -4.424 -17.039 1.00 0.00 H new ATOM 0 HA ILE A 761 15.263 -4.300 -15.041 1.00 0.00 H new ATOM 0 HB ILE A 761 16.586 -6.666 -16.420 1.00 0.00 H new ATOM 0 HG12 ILE A 761 13.892 -5.330 -16.882 1.00 0.00 H new ATOM 0 HG13 ILE A 761 15.327 -4.981 -17.826 1.00 0.00 H new ATOM 0 HG21 ILE A 761 14.628 -7.963 -15.668 1.00 0.00 H new ATOM 0 HG22 ILE A 761 15.582 -7.361 -14.291 1.00 0.00 H new ATOM 0 HG23 ILE A 761 14.058 -6.558 -14.737 1.00 0.00 H new ATOM 0 HD11 ILE A 761 13.876 -6.570 -18.992 1.00 0.00 H new ATOM 0 HD12 ILE A 761 15.426 -7.336 -18.571 1.00 0.00 H new ATOM 0 HD13 ILE A 761 13.969 -7.690 -17.612 1.00 0.00 H new ATOM 719 N ALA A 762 18.135 -5.718 -14.173 1.00 0.00 N ATOM 720 CA ALA A 762 18.941 -6.123 -13.026 1.00 0.00 C ATOM 721 C ALA A 762 19.161 -4.950 -12.076 1.00 0.00 C ATOM 722 O ALA A 762 19.079 -5.100 -10.854 1.00 0.00 O ATOM 723 CB ALA A 762 20.277 -6.688 -13.484 1.00 0.00 C ATOM 0 H ALA A 762 18.603 -5.819 -15.074 1.00 0.00 H new ATOM 0 HA ALA A 762 18.399 -6.902 -12.490 1.00 0.00 H new ATOM 0 HB1 ALA A 762 20.864 -6.984 -12.615 1.00 0.00 H new ATOM 0 HB2 ALA A 762 20.106 -7.557 -14.120 1.00 0.00 H new ATOM 0 HB3 ALA A 762 20.820 -5.928 -14.046 1.00 0.00 H new ATOM 729 N GLU A 763 19.421 -3.783 -12.652 1.00 0.00 N ATOM 730 CA GLU A 763 19.663 -2.570 -11.883 1.00 0.00 C ATOM 731 C GLU A 763 18.426 -2.177 -11.074 1.00 0.00 C ATOM 732 O GLU A 763 18.538 -1.762 -9.922 1.00 0.00 O ATOM 733 CB GLU A 763 20.075 -1.440 -12.832 1.00 0.00 C ATOM 734 CG GLU A 763 20.535 -0.167 -12.143 1.00 0.00 C ATOM 735 CD GLU A 763 21.156 0.813 -13.119 1.00 0.00 C ATOM 736 OE1 GLU A 763 20.403 1.503 -13.844 1.00 0.00 O ATOM 737 OE2 GLU A 763 22.402 0.891 -13.181 1.00 0.00 O ATOM 0 H GLU A 763 19.470 -3.651 -13.662 1.00 0.00 H new ATOM 0 HA GLU A 763 20.471 -2.755 -11.175 1.00 0.00 H new ATOM 0 HB2 GLU A 763 20.878 -1.799 -13.475 1.00 0.00 H new ATOM 0 HB3 GLU A 763 19.231 -1.202 -13.479 1.00 0.00 H new ATOM 0 HG2 GLU A 763 19.686 0.304 -11.647 1.00 0.00 H new ATOM 0 HG3 GLU A 763 21.260 -0.416 -11.368 1.00 0.00 H new ATOM 744 N GLU A 764 17.249 -2.330 -11.670 1.00 0.00 N ATOM 745 CA GLU A 764 16.006 -1.991 -10.985 1.00 0.00 C ATOM 746 C GLU A 764 15.661 -3.046 -9.935 1.00 0.00 C ATOM 747 O GLU A 764 15.153 -2.724 -8.861 1.00 0.00 O ATOM 748 CB GLU A 764 14.859 -1.848 -11.989 1.00 0.00 C ATOM 749 CG GLU A 764 13.582 -1.289 -11.378 1.00 0.00 C ATOM 750 CD GLU A 764 13.813 0.029 -10.663 1.00 0.00 C ATOM 751 OE1 GLU A 764 14.082 1.041 -11.345 1.00 0.00 O ATOM 752 OE2 GLU A 764 13.749 0.055 -9.414 1.00 0.00 O ATOM 0 H GLU A 764 17.129 -2.684 -12.619 1.00 0.00 H new ATOM 0 HA GLU A 764 16.148 -1.035 -10.480 1.00 0.00 H new ATOM 0 HB2 GLU A 764 15.178 -1.197 -12.803 1.00 0.00 H new ATOM 0 HB3 GLU A 764 14.646 -2.823 -12.426 1.00 0.00 H new ATOM 0 HG2 GLU A 764 12.838 -1.148 -12.162 1.00 0.00 H new ATOM 0 HG3 GLU A 764 13.171 -2.014 -10.675 1.00 0.00 H new ATOM 759 N HIS A 765 15.945 -4.304 -10.247 1.00 0.00 N ATOM 760 CA HIS A 765 15.705 -5.402 -9.313 1.00 0.00 C ATOM 761 C HIS A 765 16.607 -5.281 -8.086 1.00 0.00 C ATOM 762 O HIS A 765 16.277 -5.779 -7.009 1.00 0.00 O ATOM 763 CB HIS A 765 15.921 -6.754 -10.001 1.00 0.00 C ATOM 764 CG HIS A 765 14.778 -7.171 -10.880 1.00 0.00 C ATOM 765 ND1 HIS A 765 14.410 -8.481 -11.086 1.00 0.00 N ATOM 766 CD2 HIS A 765 13.912 -6.421 -11.611 1.00 0.00 C ATOM 767 CE1 HIS A 765 13.356 -8.488 -11.914 1.00 0.00 C ATOM 768 NE2 HIS A 765 13.015 -7.262 -12.261 1.00 0.00 N ATOM 0 H HIS A 765 16.343 -4.592 -11.141 1.00 0.00 H new ATOM 0 HA HIS A 765 14.668 -5.342 -8.983 1.00 0.00 H new ATOM 0 HB2 HIS A 765 16.830 -6.706 -10.600 1.00 0.00 H new ATOM 0 HB3 HIS A 765 16.081 -7.518 -9.240 1.00 0.00 H new ATOM 0 HD1 HIS A 765 14.860 -9.302 -10.680 1.00 0.00 H new ATOM 0 HD2 HIS A 765 13.919 -5.343 -11.677 1.00 0.00 H new ATOM 0 HE1 HIS A 765 12.852 -9.381 -12.253 1.00 0.00 H new ATOM 776 N GLY A 766 17.738 -4.610 -8.255 1.00 0.00 N ATOM 777 CA GLY A 766 18.641 -4.387 -7.143 1.00 0.00 C ATOM 778 C GLY A 766 19.806 -5.351 -7.145 1.00 0.00 C ATOM 779 O GLY A 766 20.519 -5.479 -6.149 1.00 0.00 O ATOM 0 H GLY A 766 18.047 -4.215 -9.143 1.00 0.00 H new ATOM 0 HA2 GLY A 766 19.018 -3.365 -7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 766 18.092 -4.487 -6.207 1.00 0.00 H new ATOM 783 N LEU A 767 20.006 -6.025 -8.266 1.00 0.00 N ATOM 784 CA LEU A 767 21.086 -6.990 -8.391 1.00 0.00 C ATOM 785 C LEU A 767 22.311 -6.325 -9.008 1.00 0.00 C ATOM 786 O LEU A 767 22.237 -5.194 -9.498 1.00 0.00 O ATOM 787 CB LEU A 767 20.646 -8.179 -9.252 1.00 0.00 C ATOM 788 CG LEU A 767 19.324 -8.835 -8.839 1.00 0.00 C ATOM 789 CD1 LEU A 767 18.913 -9.888 -9.855 1.00 0.00 C ATOM 790 CD2 LEU A 767 19.440 -9.454 -7.453 1.00 0.00 C ATOM 0 H LEU A 767 19.433 -5.921 -9.104 1.00 0.00 H new ATOM 0 HA LEU A 767 21.342 -7.356 -7.397 1.00 0.00 H new ATOM 0 HB2 LEU A 767 20.559 -7.845 -10.286 1.00 0.00 H new ATOM 0 HB3 LEU A 767 21.431 -8.935 -9.226 1.00 0.00 H new ATOM 0 HG LEU A 767 18.555 -8.063 -8.807 1.00 0.00 H new ATOM 0 HD11 LEU A 767 17.972 -10.344 -9.546 1.00 0.00 H new ATOM 0 HD12 LEU A 767 18.787 -9.421 -10.832 1.00 0.00 H new ATOM 0 HD13 LEU A 767 19.685 -10.655 -9.916 1.00 0.00 H new ATOM 0 HD21 LEU A 767 18.491 -9.914 -7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 767 20.223 -10.212 -7.458 1.00 0.00 H new ATOM 0 HD23 LEU A 767 19.690 -8.679 -6.728 1.00 0.00 H new ATOM 802 N ARG A 768 23.432 -7.023 -8.986 1.00 0.00 N ATOM 803 CA ARG A 768 24.662 -6.503 -9.558 1.00 0.00 C ATOM 804 C ARG A 768 24.879 -7.123 -10.926 1.00 0.00 C ATOM 805 O ARG A 768 24.401 -8.217 -11.194 1.00 0.00 O ATOM 806 CB ARG A 768 25.835 -6.794 -8.623 1.00 0.00 C ATOM 807 CG ARG A 768 27.182 -6.269 -9.100 1.00 0.00 C ATOM 808 CD ARG A 768 28.263 -6.497 -8.051 1.00 0.00 C ATOM 809 NE ARG A 768 29.570 -6.010 -8.488 1.00 0.00 N ATOM 810 CZ ARG A 768 30.560 -5.663 -7.660 1.00 0.00 C ATOM 811 NH1 ARG A 768 30.395 -5.721 -6.342 1.00 0.00 N ATOM 812 NH2 ARG A 768 31.715 -5.242 -8.159 1.00 0.00 N ATOM 0 H ARG A 768 23.517 -7.954 -8.577 1.00 0.00 H new ATOM 0 HA ARG A 768 24.590 -5.422 -9.676 1.00 0.00 H new ATOM 0 HB2 ARG A 768 25.618 -6.361 -7.646 1.00 0.00 H new ATOM 0 HB3 ARG A 768 25.911 -7.872 -8.484 1.00 0.00 H new ATOM 0 HG2 ARG A 768 27.461 -6.767 -10.029 1.00 0.00 H new ATOM 0 HG3 ARG A 768 27.103 -5.204 -9.320 1.00 0.00 H new ATOM 0 HD2 ARG A 768 27.981 -5.994 -7.126 1.00 0.00 H new ATOM 0 HD3 ARG A 768 28.330 -7.562 -7.827 1.00 0.00 H new ATOM 0 HE ARG A 768 29.738 -5.930 -9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 768 29.505 -6.033 -5.953 1.00 0.00 H new ATOM 0 HH12 ARG A 768 31.158 -5.454 -5.720 1.00 0.00 H new ATOM 0 HH21 ARG A 768 31.843 -5.185 -9.169 1.00 0.00 H new ATOM 0 HH22 ARG A 768 32.474 -4.976 -7.532 1.00 0.00 H new ATOM 826 N HIS A 769 25.566 -6.412 -11.797 1.00 0.00 N ATOM 827 CA HIS A 769 25.765 -6.868 -13.160 1.00 0.00 C ATOM 828 C HIS A 769 27.047 -6.291 -13.741 1.00 0.00 C ATOM 829 O HIS A 769 27.411 -5.150 -13.453 1.00 0.00 O ATOM 830 CB HIS A 769 24.556 -6.494 -14.033 1.00 0.00 C ATOM 831 CG HIS A 769 24.038 -5.102 -13.798 1.00 0.00 C ATOM 832 ND1 HIS A 769 24.370 -4.064 -14.625 1.00 0.00 N ATOM 833 CD2 HIS A 769 23.213 -4.644 -12.825 1.00 0.00 C ATOM 834 CE1 HIS A 769 23.744 -3.004 -14.150 1.00 0.00 C ATOM 835 NE2 HIS A 769 23.031 -3.306 -13.057 1.00 0.00 N ATOM 0 H HIS A 769 25.998 -5.513 -11.585 1.00 0.00 H new ATOM 0 HA HIS A 769 25.859 -7.954 -13.148 1.00 0.00 H new ATOM 0 HB2 HIS A 769 24.834 -6.595 -15.082 1.00 0.00 H new ATOM 0 HB3 HIS A 769 23.752 -7.206 -13.846 1.00 0.00 H new ATOM 0 HD2 HIS A 769 22.782 -5.223 -12.021 1.00 0.00 H new ATOM 0 HE1 HIS A 769 23.799 -2.018 -14.587 1.00 0.00 H new ATOM 0 HE2 HIS A 769 22.463 -2.664 -12.504 1.00 0.00 H new ATOM 843 N ASP A 770 27.738 -7.095 -14.534 1.00 0.00 N ATOM 844 CA ASP A 770 28.963 -6.662 -15.191 1.00 0.00 C ATOM 845 C ASP A 770 29.041 -7.243 -16.588 1.00 0.00 C ATOM 846 O ASP A 770 28.351 -8.208 -16.913 1.00 0.00 O ATOM 847 CB ASP A 770 30.207 -7.075 -14.392 1.00 0.00 C ATOM 848 CG ASP A 770 30.429 -8.579 -14.359 1.00 0.00 C ATOM 849 OD1 ASP A 770 31.057 -9.118 -15.299 1.00 0.00 O ATOM 850 OD2 ASP A 770 29.999 -9.224 -13.381 1.00 0.00 O ATOM 0 H ASP A 770 27.470 -8.057 -14.740 1.00 0.00 H new ATOM 0 HA ASP A 770 28.940 -5.574 -15.248 1.00 0.00 H new ATOM 0 HB2 ASP A 770 31.084 -6.595 -14.825 1.00 0.00 H new ATOM 0 HB3 ASP A 770 30.113 -6.706 -13.371 1.00 0.00 H new ATOM 855 N SER A 771 29.868 -6.641 -17.418 1.00 0.00 N ATOM 856 CA SER A 771 30.084 -7.135 -18.759 1.00 0.00 C ATOM 857 C SER A 771 31.568 -7.375 -18.981 1.00 0.00 C ATOM 858 O SER A 771 32.400 -6.548 -18.614 1.00 0.00 O ATOM 859 CB SER A 771 29.553 -6.135 -19.775 1.00 0.00 C ATOM 860 OG SER A 771 28.279 -5.649 -19.389 1.00 0.00 O ATOM 0 H SER A 771 30.403 -5.805 -17.184 1.00 0.00 H new ATOM 0 HA SER A 771 29.549 -8.076 -18.886 1.00 0.00 H new ATOM 0 HB2 SER A 771 30.250 -5.303 -19.871 1.00 0.00 H new ATOM 0 HB3 SER A 771 29.485 -6.608 -20.755 1.00 0.00 H new ATOM 0 HG SER A 771 27.958 -5.007 -20.056 1.00 0.00 H new ATOM 976 N PHE A 779 30.334 -10.779 -23.018 1.00 0.00 N ATOM 977 CA PHE A 779 29.121 -11.301 -22.416 1.00 0.00 C ATOM 978 C PHE A 779 28.781 -10.503 -21.165 1.00 0.00 C ATOM 979 O PHE A 779 29.580 -9.683 -20.706 1.00 0.00 O ATOM 980 CB PHE A 779 29.284 -12.791 -22.080 1.00 0.00 C ATOM 981 CG PHE A 779 30.396 -13.087 -21.108 1.00 0.00 C ATOM 982 CD1 PHE A 779 31.703 -13.208 -21.549 1.00 0.00 C ATOM 983 CD2 PHE A 779 30.133 -13.242 -19.757 1.00 0.00 C ATOM 984 CE1 PHE A 779 32.726 -13.477 -20.662 1.00 0.00 C ATOM 985 CE2 PHE A 779 31.152 -13.512 -18.865 1.00 0.00 C ATOM 986 CZ PHE A 779 32.450 -13.630 -19.317 1.00 0.00 C ATOM 0 HA PHE A 779 28.302 -11.203 -23.129 1.00 0.00 H new ATOM 0 HB2 PHE A 779 28.347 -13.163 -21.667 1.00 0.00 H new ATOM 0 HB3 PHE A 779 29.467 -13.342 -23.003 1.00 0.00 H new ATOM 0 HD1 PHE A 779 31.925 -13.091 -22.599 1.00 0.00 H new ATOM 0 HD2 PHE A 779 29.119 -13.151 -19.397 1.00 0.00 H new ATOM 0 HE1 PHE A 779 33.741 -13.568 -21.019 1.00 0.00 H new ATOM 0 HE2 PHE A 779 30.933 -13.631 -17.814 1.00 0.00 H new ATOM 0 HZ PHE A 779 33.248 -13.841 -18.621 1.00 0.00 H new ATOM 996 N ILE A 780 27.601 -10.739 -20.618 1.00 0.00 N ATOM 997 CA ILE A 780 27.165 -10.043 -19.420 1.00 0.00 C ATOM 998 C ILE A 780 26.825 -11.039 -18.314 1.00 0.00 C ATOM 999 O ILE A 780 26.280 -12.115 -18.575 1.00 0.00 O ATOM 1000 CB ILE A 780 25.956 -9.119 -19.712 1.00 0.00 C ATOM 1001 CG1 ILE A 780 25.459 -8.451 -18.426 1.00 0.00 C ATOM 1002 CG2 ILE A 780 24.832 -9.890 -20.382 1.00 0.00 C ATOM 1003 CD1 ILE A 780 24.277 -7.532 -18.632 1.00 0.00 C ATOM 0 H ILE A 780 26.926 -11.409 -20.986 1.00 0.00 H new ATOM 0 HA ILE A 780 27.989 -9.415 -19.081 1.00 0.00 H new ATOM 0 HB ILE A 780 26.288 -8.339 -20.397 1.00 0.00 H new ATOM 0 HG12 ILE A 780 25.185 -9.225 -17.709 1.00 0.00 H new ATOM 0 HG13 ILE A 780 26.277 -7.882 -17.984 1.00 0.00 H new ATOM 0 HG21 ILE A 780 23.996 -9.219 -20.576 1.00 0.00 H new ATOM 0 HG22 ILE A 780 25.188 -10.308 -21.324 1.00 0.00 H new ATOM 0 HG23 ILE A 780 24.504 -10.698 -19.728 1.00 0.00 H new ATOM 0 HD11 ILE A 780 23.983 -7.097 -17.677 1.00 0.00 H new ATOM 0 HD12 ILE A 780 24.551 -6.736 -19.324 1.00 0.00 H new ATOM 0 HD13 ILE A 780 23.443 -8.099 -19.044 1.00 0.00 H new ATOM 1015 N THR A 781 27.178 -10.693 -17.091 1.00 0.00 N ATOM 1016 CA THR A 781 26.923 -11.547 -15.951 1.00 0.00 C ATOM 1017 C THR A 781 26.185 -10.777 -14.863 1.00 0.00 C ATOM 1018 O THR A 781 26.603 -9.690 -14.465 1.00 0.00 O ATOM 1019 CB THR A 781 28.242 -12.103 -15.387 1.00 0.00 C ATOM 1020 OG1 THR A 781 29.002 -12.694 -16.451 1.00 0.00 O ATOM 1021 CG2 THR A 781 27.983 -13.144 -14.307 1.00 0.00 C ATOM 0 H THR A 781 27.647 -9.817 -16.862 1.00 0.00 H new ATOM 0 HA THR A 781 26.301 -12.378 -16.283 1.00 0.00 H new ATOM 0 HB THR A 781 28.800 -11.280 -14.940 1.00 0.00 H new ATOM 0 HG1 THR A 781 29.844 -13.047 -16.095 1.00 0.00 H new ATOM 0 HG21 THR A 781 28.934 -13.519 -13.927 1.00 0.00 H new ATOM 0 HG22 THR A 781 27.420 -12.690 -13.491 1.00 0.00 H new ATOM 0 HG23 THR A 781 27.409 -13.970 -14.728 1.00 0.00 H new ATOM 1029 N VAL A 782 25.075 -11.337 -14.410 1.00 0.00 N ATOM 1030 CA VAL A 782 24.285 -10.731 -13.350 1.00 0.00 C ATOM 1031 C VAL A 782 24.479 -11.511 -12.057 1.00 0.00 C ATOM 1032 O VAL A 782 24.268 -12.717 -12.025 1.00 0.00 O ATOM 1033 CB VAL A 782 22.787 -10.710 -13.722 1.00 0.00 C ATOM 1034 CG1 VAL A 782 21.968 -9.955 -12.688 1.00 0.00 C ATOM 1035 CG2 VAL A 782 22.595 -10.102 -15.095 1.00 0.00 C ATOM 0 H VAL A 782 24.698 -12.217 -14.763 1.00 0.00 H new ATOM 0 HA VAL A 782 24.622 -9.703 -13.215 1.00 0.00 H new ATOM 0 HB VAL A 782 22.432 -11.740 -13.739 1.00 0.00 H new ATOM 0 HG11 VAL A 782 20.918 -9.960 -12.981 1.00 0.00 H new ATOM 0 HG12 VAL A 782 22.076 -10.437 -11.716 1.00 0.00 H new ATOM 0 HG13 VAL A 782 22.322 -8.926 -12.624 1.00 0.00 H new ATOM 0 HG21 VAL A 782 21.534 -10.094 -15.344 1.00 0.00 H new ATOM 0 HG22 VAL A 782 22.976 -9.081 -15.097 1.00 0.00 H new ATOM 0 HG23 VAL A 782 23.136 -10.693 -15.834 1.00 0.00 H new ATOM 1045 N SER A 783 24.890 -10.837 -11.001 1.00 0.00 N ATOM 1046 CA SER A 783 25.162 -11.503 -9.744 1.00 0.00 C ATOM 1047 C SER A 783 24.152 -11.098 -8.673 1.00 0.00 C ATOM 1048 O SER A 783 23.760 -9.933 -8.576 1.00 0.00 O ATOM 1049 CB SER A 783 26.590 -11.195 -9.280 1.00 0.00 C ATOM 1050 OG SER A 783 26.817 -9.797 -9.196 1.00 0.00 O ATOM 0 H SER A 783 25.043 -9.829 -10.989 1.00 0.00 H new ATOM 0 HA SER A 783 25.066 -12.577 -9.902 1.00 0.00 H new ATOM 0 HB2 SER A 783 26.764 -11.653 -8.306 1.00 0.00 H new ATOM 0 HB3 SER A 783 27.303 -11.640 -9.974 1.00 0.00 H new ATOM 0 HG SER A 783 27.735 -9.632 -8.896 1.00 0.00 H new ATOM 1056 N LYS A 784 23.726 -12.075 -7.879 1.00 0.00 N ATOM 1057 CA LYS A 784 22.840 -11.819 -6.749 1.00 0.00 C ATOM 1058 C LYS A 784 23.578 -11.058 -5.662 1.00 0.00 C ATOM 1059 O LYS A 784 22.981 -10.325 -4.874 1.00 0.00 O ATOM 1060 CB LYS A 784 22.307 -13.129 -6.171 1.00 0.00 C ATOM 1061 CG LYS A 784 21.213 -13.767 -7.000 1.00 0.00 C ATOM 1062 CD LYS A 784 20.629 -14.978 -6.294 1.00 0.00 C ATOM 1063 CE LYS A 784 19.366 -15.463 -6.980 1.00 0.00 C ATOM 1064 NZ LYS A 784 18.761 -16.625 -6.278 1.00 0.00 N ATOM 0 H LYS A 784 23.981 -13.055 -7.998 1.00 0.00 H new ATOM 0 HA LYS A 784 22.003 -11.221 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 784 23.133 -13.834 -6.073 1.00 0.00 H new ATOM 0 HB3 LYS A 784 21.926 -12.943 -5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 784 20.425 -13.038 -7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 784 21.613 -14.065 -7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 784 21.366 -15.781 -6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 784 20.407 -14.725 -5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 784 18.642 -14.649 -7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 784 19.596 -15.741 -8.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 18.905 -17.486 -6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 19.212 -16.742 -5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 17.742 -16.461 -6.150 1.00 0.00 H new