USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=12 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= 0.168 K(o=-0.51,f=-9.8!) USER MOD Set 1.2: A 769 HIS : no HD1:sc= -0.726 K(o=-0.51,f=-12!) USER MOD Set 1.3: A 771 SER OG : rot 99:sc= 0.0491 USER MOD Single : A 728 HIS : no HD1:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 732 MET CE :methyl -162:sc= -0.0203 (180deg=-0.233) USER MOD Single : A 737 MET CE :methyl 168:sc= -0.0279 (180deg=-0.257) USER MOD Single : A 739 SER OG : rot 120:sc= -0.0722 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 MET CE :methyl -163:sc= -0.0832 (180deg=-0.515) USER MOD Single : A 743 GLN : amide:sc= -2.32 K(o=-2.3,f=-6.8!) USER MOD Single : A 749 SER OG : rot 180:sc= 0.00321 USER MOD Single : A 751 ASN : amide:sc= 0.344 K(o=0.34,f=-7.1!) USER MOD Single : A 752 SER OG : rot 180:sc= 0.75 USER MOD Single : A 753 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 760 GLN : amide:sc= -0.985 X(o=-0.99,f=-0.65) USER MOD Single : A 765 HIS : no HE2:sc= 1.31 K(o=1.3,f=-5.7!) USER MOD Single : A 781 THR OG1 : rot 180:sc= 0 USER MOD Single : A 783 SER OG : rot 34:sc= 0.828 USER MOD Single : A 784 LYS NZ :NH3+ 163:sc= 2.52 (180deg=2.26) USER MOD ----------------------------------------------------------------- ATOM 143 N HIS A 728 12.397 -11.339 -22.655 1.00 0.00 N ATOM 144 CA HIS A 728 12.985 -12.678 -22.609 1.00 0.00 C ATOM 145 C HIS A 728 13.981 -12.753 -21.462 1.00 0.00 C ATOM 146 O HIS A 728 13.988 -13.700 -20.679 1.00 0.00 O ATOM 147 CB HIS A 728 13.685 -12.998 -23.941 1.00 0.00 C ATOM 148 CG HIS A 728 14.367 -14.339 -23.985 1.00 0.00 C ATOM 149 ND1 HIS A 728 13.829 -15.462 -24.577 1.00 0.00 N ATOM 150 CD2 HIS A 728 15.583 -14.718 -23.509 1.00 0.00 C ATOM 151 CE1 HIS A 728 14.712 -16.461 -24.443 1.00 0.00 C ATOM 152 NE2 HIS A 728 15.795 -16.061 -23.802 1.00 0.00 N ATOM 0 HA HIS A 728 12.195 -13.412 -22.449 1.00 0.00 H new ATOM 0 HB2 HIS A 728 12.948 -12.953 -24.743 1.00 0.00 H new ATOM 0 HB3 HIS A 728 14.424 -12.223 -24.143 1.00 0.00 H new ATOM 0 HD2 HIS A 728 16.276 -14.076 -22.985 1.00 0.00 H new ATOM 0 HE1 HIS A 728 14.558 -17.464 -24.812 1.00 0.00 H new ATOM 0 HE2 HIS A 728 16.616 -16.620 -23.570 1.00 0.00 H new ATOM 160 N PHE A 729 14.791 -11.716 -21.349 1.00 0.00 N ATOM 161 CA PHE A 729 15.837 -11.673 -20.347 1.00 0.00 C ATOM 162 C PHE A 729 15.275 -11.402 -18.958 1.00 0.00 C ATOM 163 O PHE A 729 15.863 -11.813 -17.963 1.00 0.00 O ATOM 164 CB PHE A 729 16.876 -10.628 -20.727 1.00 0.00 C ATOM 165 CG PHE A 729 17.513 -10.917 -22.054 1.00 0.00 C ATOM 166 CD1 PHE A 729 18.179 -12.113 -22.256 1.00 0.00 C ATOM 167 CD2 PHE A 729 17.430 -10.014 -23.100 1.00 0.00 C ATOM 168 CE1 PHE A 729 18.753 -12.404 -23.474 1.00 0.00 C ATOM 169 CE2 PHE A 729 18.004 -10.303 -24.325 1.00 0.00 C ATOM 170 CZ PHE A 729 18.664 -11.498 -24.511 1.00 0.00 C ATOM 0 H PHE A 729 14.743 -10.888 -21.943 1.00 0.00 H new ATOM 0 HA PHE A 729 16.315 -12.652 -20.313 1.00 0.00 H new ATOM 0 HB2 PHE A 729 16.405 -9.645 -20.758 1.00 0.00 H new ATOM 0 HB3 PHE A 729 17.647 -10.588 -19.957 1.00 0.00 H new ATOM 0 HD1 PHE A 729 18.250 -12.827 -21.449 1.00 0.00 H new ATOM 0 HD2 PHE A 729 16.913 -9.076 -22.959 1.00 0.00 H new ATOM 0 HE1 PHE A 729 19.272 -13.340 -23.617 1.00 0.00 H new ATOM 0 HE2 PHE A 729 17.935 -9.592 -25.135 1.00 0.00 H new ATOM 0 HZ PHE A 729 19.111 -11.725 -25.467 1.00 0.00 H new ATOM 180 N ARG A 730 14.133 -10.731 -18.883 1.00 0.00 N ATOM 181 CA ARG A 730 13.514 -10.465 -17.589 1.00 0.00 C ATOM 182 C ARG A 730 12.956 -11.762 -17.024 1.00 0.00 C ATOM 183 O ARG A 730 13.012 -12.008 -15.821 1.00 0.00 O ATOM 184 CB ARG A 730 12.401 -9.417 -17.703 1.00 0.00 C ATOM 185 CG ARG A 730 12.050 -8.770 -16.371 1.00 0.00 C ATOM 186 CD ARG A 730 10.959 -7.720 -16.515 1.00 0.00 C ATOM 187 NE ARG A 730 10.947 -6.795 -15.382 1.00 0.00 N ATOM 188 CZ ARG A 730 9.844 -6.318 -14.805 1.00 0.00 C ATOM 189 NH1 ARG A 730 8.646 -6.744 -15.185 1.00 0.00 N ATOM 190 NH2 ARG A 730 9.943 -5.421 -13.833 1.00 0.00 N ATOM 0 H ARG A 730 13.623 -10.366 -19.687 1.00 0.00 H new ATOM 0 HA ARG A 730 14.274 -10.065 -16.918 1.00 0.00 H new ATOM 0 HB2 ARG A 730 12.710 -8.643 -18.406 1.00 0.00 H new ATOM 0 HB3 ARG A 730 11.509 -9.887 -18.118 1.00 0.00 H new ATOM 0 HG2 ARG A 730 11.723 -9.538 -15.670 1.00 0.00 H new ATOM 0 HG3 ARG A 730 12.942 -8.310 -15.946 1.00 0.00 H new ATOM 0 HD2 ARG A 730 11.110 -7.162 -17.439 1.00 0.00 H new ATOM 0 HD3 ARG A 730 9.989 -8.211 -16.594 1.00 0.00 H new ATOM 0 HE ARG A 730 11.846 -6.494 -15.007 1.00 0.00 H new ATOM 0 HH11 ARG A 730 8.564 -7.442 -15.924 1.00 0.00 H new ATOM 0 HH12 ARG A 730 7.807 -6.373 -14.738 1.00 0.00 H new ATOM 0 HH21 ARG A 730 10.861 -5.098 -13.529 1.00 0.00 H new ATOM 0 HH22 ARG A 730 9.101 -5.054 -13.390 1.00 0.00 H new ATOM 204 N ALA A 731 12.432 -12.595 -17.914 1.00 0.00 N ATOM 205 CA ALA A 731 11.942 -13.910 -17.540 1.00 0.00 C ATOM 206 C ALA A 731 13.101 -14.794 -17.084 1.00 0.00 C ATOM 207 O ALA A 731 13.004 -15.514 -16.088 1.00 0.00 O ATOM 208 CB ALA A 731 11.209 -14.541 -18.717 1.00 0.00 C ATOM 0 H ALA A 731 12.336 -12.378 -18.906 1.00 0.00 H new ATOM 0 HA ALA A 731 11.243 -13.811 -16.709 1.00 0.00 H new ATOM 0 HB1 ALA A 731 10.843 -15.527 -18.431 1.00 0.00 H new ATOM 0 HB2 ALA A 731 10.367 -13.910 -19.002 1.00 0.00 H new ATOM 0 HB3 ALA A 731 11.892 -14.638 -19.561 1.00 0.00 H new ATOM 214 N MET A 732 14.201 -14.720 -17.819 1.00 0.00 N ATOM 215 CA MET A 732 15.411 -15.451 -17.469 1.00 0.00 C ATOM 216 C MET A 732 15.954 -15.001 -16.111 1.00 0.00 C ATOM 217 O MET A 732 16.386 -15.822 -15.303 1.00 0.00 O ATOM 218 CB MET A 732 16.470 -15.254 -18.557 1.00 0.00 C ATOM 219 CG MET A 732 16.071 -15.846 -19.901 1.00 0.00 C ATOM 220 SD MET A 732 16.827 -17.452 -20.221 1.00 0.00 S ATOM 221 CE MET A 732 18.533 -16.970 -20.493 1.00 0.00 C ATOM 0 H MET A 732 14.281 -14.158 -18.666 1.00 0.00 H new ATOM 0 HA MET A 732 15.164 -16.510 -17.396 1.00 0.00 H new ATOM 0 HB2 MET A 732 16.660 -14.188 -18.680 1.00 0.00 H new ATOM 0 HB3 MET A 732 17.405 -15.709 -18.231 1.00 0.00 H new ATOM 0 HG2 MET A 732 14.986 -15.948 -19.938 1.00 0.00 H new ATOM 0 HG3 MET A 732 16.354 -15.154 -20.694 1.00 0.00 H new ATOM 0 HE1 MET A 732 19.061 -17.774 -21.007 1.00 0.00 H new ATOM 0 HE2 MET A 732 18.563 -16.068 -21.104 1.00 0.00 H new ATOM 0 HE3 MET A 732 19.013 -16.775 -19.534 1.00 0.00 H new ATOM 231 N ILE A 733 15.916 -13.694 -15.865 1.00 0.00 N ATOM 232 CA ILE A 733 16.418 -13.130 -14.618 1.00 0.00 C ATOM 233 C ILE A 733 15.535 -13.511 -13.430 1.00 0.00 C ATOM 234 O ILE A 733 16.045 -13.902 -12.385 1.00 0.00 O ATOM 235 CB ILE A 733 16.564 -11.589 -14.703 1.00 0.00 C ATOM 236 CG1 ILE A 733 17.750 -11.228 -15.608 1.00 0.00 C ATOM 237 CG2 ILE A 733 16.742 -10.975 -13.315 1.00 0.00 C ATOM 238 CD1 ILE A 733 17.963 -9.741 -15.777 1.00 0.00 C ATOM 0 H ILE A 733 15.541 -13.004 -16.516 1.00 0.00 H new ATOM 0 HA ILE A 733 17.408 -13.558 -14.459 1.00 0.00 H new ATOM 0 HB ILE A 733 15.650 -11.179 -15.132 1.00 0.00 H new ATOM 0 HG12 ILE A 733 18.657 -11.670 -15.195 1.00 0.00 H new ATOM 0 HG13 ILE A 733 17.595 -11.676 -16.589 1.00 0.00 H new ATOM 0 HG21 ILE A 733 16.842 -9.893 -13.406 1.00 0.00 H new ATOM 0 HG22 ILE A 733 15.873 -11.209 -12.700 1.00 0.00 H new ATOM 0 HG23 ILE A 733 17.638 -11.384 -12.848 1.00 0.00 H new ATOM 0 HD11 ILE A 733 18.819 -9.568 -16.430 1.00 0.00 H new ATOM 0 HD12 ILE A 733 17.073 -9.294 -16.220 1.00 0.00 H new ATOM 0 HD13 ILE A 733 18.151 -9.287 -14.804 1.00 0.00 H new ATOM 250 N VAL A 734 14.217 -13.429 -13.588 1.00 0.00 N ATOM 251 CA VAL A 734 13.316 -13.718 -12.475 1.00 0.00 C ATOM 252 C VAL A 734 13.436 -15.183 -12.037 1.00 0.00 C ATOM 253 O VAL A 734 13.392 -15.486 -10.844 1.00 0.00 O ATOM 254 CB VAL A 734 11.840 -13.365 -12.798 1.00 0.00 C ATOM 255 CG1 VAL A 734 11.267 -14.259 -13.884 1.00 0.00 C ATOM 256 CG2 VAL A 734 10.984 -13.431 -11.541 1.00 0.00 C ATOM 0 H VAL A 734 13.754 -13.170 -14.459 1.00 0.00 H new ATOM 0 HA VAL A 734 13.625 -13.078 -11.649 1.00 0.00 H new ATOM 0 HB VAL A 734 11.826 -12.343 -13.177 1.00 0.00 H new ATOM 0 HG11 VAL A 734 10.232 -13.977 -14.079 1.00 0.00 H new ATOM 0 HG12 VAL A 734 11.852 -14.144 -14.796 1.00 0.00 H new ATOM 0 HG13 VAL A 734 11.305 -15.298 -13.557 1.00 0.00 H new ATOM 0 HG21 VAL A 734 9.953 -13.180 -11.789 1.00 0.00 H new ATOM 0 HG22 VAL A 734 11.023 -14.439 -11.127 1.00 0.00 H new ATOM 0 HG23 VAL A 734 11.363 -12.722 -10.805 1.00 0.00 H new ATOM 266 N GLU A 735 13.624 -16.086 -12.996 1.00 0.00 N ATOM 267 CA GLU A 735 13.824 -17.495 -12.671 1.00 0.00 C ATOM 268 C GLU A 735 15.225 -17.720 -12.114 1.00 0.00 C ATOM 269 O GLU A 735 15.457 -18.642 -11.335 1.00 0.00 O ATOM 270 CB GLU A 735 13.583 -18.378 -13.895 1.00 0.00 C ATOM 271 CG GLU A 735 12.141 -18.351 -14.375 1.00 0.00 C ATOM 272 CD GLU A 735 11.858 -19.386 -15.443 1.00 0.00 C ATOM 273 OE1 GLU A 735 11.634 -20.562 -15.087 1.00 0.00 O ATOM 274 OE2 GLU A 735 11.840 -19.028 -16.640 1.00 0.00 O ATOM 0 H GLU A 735 13.642 -15.871 -13.993 1.00 0.00 H new ATOM 0 HA GLU A 735 13.099 -17.774 -11.907 1.00 0.00 H new ATOM 0 HB2 GLU A 735 14.235 -18.052 -14.705 1.00 0.00 H new ATOM 0 HB3 GLU A 735 13.861 -19.404 -13.656 1.00 0.00 H new ATOM 0 HG2 GLU A 735 11.477 -18.520 -13.527 1.00 0.00 H new ATOM 0 HG3 GLU A 735 11.912 -17.360 -14.766 1.00 0.00 H new ATOM 281 N PHE A 736 16.150 -16.863 -12.515 1.00 0.00 N ATOM 282 CA PHE A 736 17.510 -16.880 -11.994 1.00 0.00 C ATOM 283 C PHE A 736 17.530 -16.432 -10.536 1.00 0.00 C ATOM 284 O PHE A 736 18.303 -16.946 -9.727 1.00 0.00 O ATOM 285 CB PHE A 736 18.396 -15.978 -12.855 1.00 0.00 C ATOM 286 CG PHE A 736 19.692 -15.564 -12.218 1.00 0.00 C ATOM 287 CD1 PHE A 736 20.719 -16.474 -12.036 1.00 0.00 C ATOM 288 CD2 PHE A 736 19.885 -14.250 -11.824 1.00 0.00 C ATOM 289 CE1 PHE A 736 21.916 -16.080 -11.469 1.00 0.00 C ATOM 290 CE2 PHE A 736 21.076 -13.852 -11.254 1.00 0.00 C ATOM 291 CZ PHE A 736 22.093 -14.766 -11.078 1.00 0.00 C ATOM 0 H PHE A 736 15.981 -16.136 -13.210 1.00 0.00 H new ATOM 0 HA PHE A 736 17.898 -17.898 -12.034 1.00 0.00 H new ATOM 0 HB2 PHE A 736 18.617 -16.496 -13.789 1.00 0.00 H new ATOM 0 HB3 PHE A 736 17.833 -15.081 -13.113 1.00 0.00 H new ATOM 0 HD1 PHE A 736 20.584 -17.501 -12.340 1.00 0.00 H new ATOM 0 HD2 PHE A 736 19.093 -13.529 -11.965 1.00 0.00 H new ATOM 0 HE1 PHE A 736 22.712 -16.797 -11.332 1.00 0.00 H new ATOM 0 HE2 PHE A 736 21.212 -12.826 -10.946 1.00 0.00 H new ATOM 0 HZ PHE A 736 23.028 -14.455 -10.635 1.00 0.00 H new ATOM 301 N MET A 737 16.665 -15.480 -10.210 1.00 0.00 N ATOM 302 CA MET A 737 16.536 -14.978 -8.848 1.00 0.00 C ATOM 303 C MET A 737 16.041 -16.077 -7.917 1.00 0.00 C ATOM 304 O MET A 737 16.502 -16.205 -6.780 1.00 0.00 O ATOM 305 CB MET A 737 15.575 -13.788 -8.817 1.00 0.00 C ATOM 306 CG MET A 737 16.084 -12.583 -9.591 1.00 0.00 C ATOM 307 SD MET A 737 14.834 -11.298 -9.800 1.00 0.00 S ATOM 308 CE MET A 737 14.485 -10.875 -8.097 1.00 0.00 C ATOM 0 H MET A 737 16.036 -15.036 -10.879 1.00 0.00 H new ATOM 0 HA MET A 737 17.517 -14.651 -8.504 1.00 0.00 H new ATOM 0 HB2 MET A 737 14.614 -14.096 -9.228 1.00 0.00 H new ATOM 0 HB3 MET A 737 15.400 -13.498 -7.781 1.00 0.00 H new ATOM 0 HG2 MET A 737 16.946 -12.163 -9.072 1.00 0.00 H new ATOM 0 HG3 MET A 737 16.430 -12.908 -10.572 1.00 0.00 H new ATOM 0 HE1 MET A 737 13.897 -9.958 -8.063 1.00 0.00 H new ATOM 0 HE2 MET A 737 13.924 -11.684 -7.629 1.00 0.00 H new ATOM 0 HE3 MET A 737 15.422 -10.725 -7.560 1.00 0.00 H new ATOM 318 N ALA A 738 15.107 -16.876 -8.415 1.00 0.00 N ATOM 319 CA ALA A 738 14.564 -17.989 -7.651 1.00 0.00 C ATOM 320 C ALA A 738 15.522 -19.174 -7.678 1.00 0.00 C ATOM 321 O ALA A 738 15.499 -20.027 -6.789 1.00 0.00 O ATOM 322 CB ALA A 738 13.203 -18.392 -8.200 1.00 0.00 C ATOM 0 H ALA A 738 14.709 -16.773 -9.348 1.00 0.00 H new ATOM 0 HA ALA A 738 14.441 -17.671 -6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 738 12.809 -19.226 -7.619 1.00 0.00 H new ATOM 0 HB2 ALA A 738 12.518 -17.546 -8.132 1.00 0.00 H new ATOM 0 HB3 ALA A 738 13.306 -18.693 -9.243 1.00 0.00 H new ATOM 328 N SER A 739 16.367 -19.215 -8.701 1.00 0.00 N ATOM 329 CA SER A 739 17.329 -20.292 -8.860 1.00 0.00 C ATOM 330 C SER A 739 18.464 -20.148 -7.848 1.00 0.00 C ATOM 331 O SER A 739 18.662 -19.081 -7.261 1.00 0.00 O ATOM 332 CB SER A 739 17.888 -20.299 -10.291 1.00 0.00 C ATOM 333 OG SER A 739 18.767 -21.394 -10.504 1.00 0.00 O ATOM 0 H SER A 739 16.403 -18.509 -9.436 1.00 0.00 H new ATOM 0 HA SER A 739 16.822 -21.240 -8.678 1.00 0.00 H new ATOM 0 HB2 SER A 739 17.065 -20.349 -11.004 1.00 0.00 H new ATOM 0 HB3 SER A 739 18.417 -19.365 -10.480 1.00 0.00 H new ATOM 0 HG SER A 739 18.419 -21.957 -11.226 1.00 0.00 H new ATOM 339 N LYS A 740 19.217 -21.221 -7.670 1.00 0.00 N ATOM 340 CA LYS A 740 20.294 -21.257 -6.695 1.00 0.00 C ATOM 341 C LYS A 740 21.527 -20.537 -7.230 1.00 0.00 C ATOM 342 O LYS A 740 22.365 -20.067 -6.461 1.00 0.00 O ATOM 343 CB LYS A 740 20.642 -22.710 -6.373 1.00 0.00 C ATOM 344 CG LYS A 740 19.433 -23.544 -5.969 1.00 0.00 C ATOM 345 CD LYS A 740 19.798 -25.005 -5.758 1.00 0.00 C ATOM 346 CE LYS A 740 20.287 -25.661 -7.040 1.00 0.00 C ATOM 347 NZ LYS A 740 20.596 -27.101 -6.837 1.00 0.00 N ATOM 0 H LYS A 740 19.100 -22.088 -8.195 1.00 0.00 H new ATOM 0 HA LYS A 740 19.964 -20.750 -5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 740 21.114 -23.165 -7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 740 21.375 -22.731 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 740 19.004 -23.141 -5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 740 18.666 -23.469 -6.740 1.00 0.00 H new ATOM 0 HD2 LYS A 740 20.573 -25.079 -4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 740 18.929 -25.545 -5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 740 19.527 -25.557 -7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 740 21.178 -25.144 -7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 20.926 -27.515 -7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 21.339 -27.198 -6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 19.739 -27.599 -6.521 1.00 0.00 H new ATOM 361 N LYS A 741 21.603 -20.430 -8.553 1.00 0.00 N ATOM 362 CA LYS A 741 22.767 -19.862 -9.228 1.00 0.00 C ATOM 363 C LYS A 741 23.085 -18.460 -8.718 1.00 0.00 C ATOM 364 O LYS A 741 22.212 -17.591 -8.659 1.00 0.00 O ATOM 365 CB LYS A 741 22.537 -19.836 -10.740 1.00 0.00 C ATOM 366 CG LYS A 741 22.382 -21.224 -11.349 1.00 0.00 C ATOM 367 CD LYS A 741 22.149 -21.165 -12.852 1.00 0.00 C ATOM 368 CE LYS A 741 20.794 -20.565 -13.195 1.00 0.00 C ATOM 369 NZ LYS A 741 20.544 -20.558 -14.660 1.00 0.00 N ATOM 0 H LYS A 741 20.863 -20.733 -9.186 1.00 0.00 H new ATOM 0 HA LYS A 741 23.624 -20.497 -9.005 1.00 0.00 H new ATOM 0 HB2 LYS A 741 21.643 -19.251 -10.955 1.00 0.00 H new ATOM 0 HB3 LYS A 741 23.374 -19.328 -11.219 1.00 0.00 H new ATOM 0 HG2 LYS A 741 23.277 -21.812 -11.144 1.00 0.00 H new ATOM 0 HG3 LYS A 741 21.547 -21.738 -10.873 1.00 0.00 H new ATOM 0 HD2 LYS A 741 22.936 -20.573 -13.318 1.00 0.00 H new ATOM 0 HD3 LYS A 741 22.217 -22.170 -13.269 1.00 0.00 H new ATOM 0 HE2 LYS A 741 20.009 -21.133 -12.696 1.00 0.00 H new ATOM 0 HE3 LYS A 741 20.742 -19.545 -12.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 741 19.610 -20.141 -14.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 741 21.278 -19.995 -15.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 741 20.568 -21.533 -15.021 1.00 0.00 H new ATOM 383 N MET A 742 24.336 -18.251 -8.334 1.00 0.00 N ATOM 384 CA MET A 742 24.770 -16.957 -7.826 1.00 0.00 C ATOM 385 C MET A 742 25.193 -16.039 -8.967 1.00 0.00 C ATOM 386 O MET A 742 25.254 -14.821 -8.803 1.00 0.00 O ATOM 387 CB MET A 742 25.919 -17.122 -6.822 1.00 0.00 C ATOM 388 CG MET A 742 27.176 -17.751 -7.408 1.00 0.00 C ATOM 389 SD MET A 742 28.483 -17.976 -6.184 1.00 0.00 S ATOM 390 CE MET A 742 28.833 -16.277 -5.734 1.00 0.00 C ATOM 0 H MET A 742 25.068 -18.960 -8.364 1.00 0.00 H new ATOM 0 HA MET A 742 23.925 -16.500 -7.312 1.00 0.00 H new ATOM 0 HB2 MET A 742 26.173 -16.144 -6.413 1.00 0.00 H new ATOM 0 HB3 MET A 742 25.574 -17.735 -5.990 1.00 0.00 H new ATOM 0 HG2 MET A 742 26.923 -18.717 -7.844 1.00 0.00 H new ATOM 0 HG3 MET A 742 27.547 -17.123 -8.218 1.00 0.00 H new ATOM 0 HE1 MET A 742 29.798 -16.226 -5.230 1.00 0.00 H new ATOM 0 HE2 MET A 742 28.860 -15.661 -6.633 1.00 0.00 H new ATOM 0 HE3 MET A 742 28.054 -15.910 -5.065 1.00 0.00 H new ATOM 400 N GLN A 743 25.477 -16.637 -10.118 1.00 0.00 N ATOM 401 CA GLN A 743 25.872 -15.889 -11.305 1.00 0.00 C ATOM 402 C GLN A 743 25.142 -16.421 -12.533 1.00 0.00 C ATOM 403 O GLN A 743 24.969 -17.632 -12.688 1.00 0.00 O ATOM 404 CB GLN A 743 27.383 -15.991 -11.534 1.00 0.00 C ATOM 405 CG GLN A 743 28.235 -15.203 -10.551 1.00 0.00 C ATOM 406 CD GLN A 743 28.364 -13.745 -10.942 1.00 0.00 C ATOM 407 OE1 GLN A 743 27.467 -13.173 -11.555 1.00 0.00 O ATOM 408 NE2 GLN A 743 29.490 -13.135 -10.601 1.00 0.00 N ATOM 0 H GLN A 743 25.440 -17.647 -10.254 1.00 0.00 H new ATOM 0 HA GLN A 743 25.606 -14.844 -11.147 1.00 0.00 H new ATOM 0 HB2 GLN A 743 27.673 -17.040 -11.484 1.00 0.00 H new ATOM 0 HB3 GLN A 743 27.607 -15.646 -12.544 1.00 0.00 H new ATOM 0 HG2 GLN A 743 27.796 -15.272 -9.556 1.00 0.00 H new ATOM 0 HG3 GLN A 743 29.227 -15.651 -10.493 1.00 0.00 H new ATOM 0 HE21 GLN A 743 30.212 -13.645 -10.092 1.00 0.00 H new ATOM 0 HE22 GLN A 743 29.635 -12.156 -10.848 1.00 0.00 H new ATOM 417 N LEU A 744 24.702 -15.515 -13.387 1.00 0.00 N ATOM 418 CA LEU A 744 24.057 -15.880 -14.634 1.00 0.00 C ATOM 419 C LEU A 744 24.871 -15.350 -15.801 1.00 0.00 C ATOM 420 O LEU A 744 24.933 -14.141 -16.039 1.00 0.00 O ATOM 421 CB LEU A 744 22.628 -15.333 -14.692 1.00 0.00 C ATOM 422 CG LEU A 744 21.807 -15.783 -15.900 1.00 0.00 C ATOM 423 CD1 LEU A 744 21.718 -17.303 -15.955 1.00 0.00 C ATOM 424 CD2 LEU A 744 20.417 -15.172 -15.845 1.00 0.00 C ATOM 0 H LEU A 744 24.781 -14.509 -13.236 1.00 0.00 H new ATOM 0 HA LEU A 744 24.003 -16.967 -14.694 1.00 0.00 H new ATOM 0 HB2 LEU A 744 22.104 -15.633 -13.785 1.00 0.00 H new ATOM 0 HB3 LEU A 744 22.673 -14.244 -14.689 1.00 0.00 H new ATOM 0 HG LEU A 744 22.306 -15.438 -16.805 1.00 0.00 H new ATOM 0 HD11 LEU A 744 21.129 -17.602 -16.822 1.00 0.00 H new ATOM 0 HD12 LEU A 744 22.720 -17.724 -16.034 1.00 0.00 H new ATOM 0 HD13 LEU A 744 21.240 -17.673 -15.048 1.00 0.00 H new ATOM 0 HD21 LEU A 744 19.841 -15.500 -16.711 1.00 0.00 H new ATOM 0 HD22 LEU A 744 19.915 -15.493 -14.932 1.00 0.00 H new ATOM 0 HD23 LEU A 744 20.497 -14.085 -15.853 1.00 0.00 H new ATOM 436 N GLU A 745 25.512 -16.262 -16.503 1.00 0.00 N ATOM 437 CA GLU A 745 26.363 -15.914 -17.623 1.00 0.00 C ATOM 438 C GLU A 745 25.563 -15.950 -18.917 1.00 0.00 C ATOM 439 O GLU A 745 25.120 -17.015 -19.350 1.00 0.00 O ATOM 440 CB GLU A 745 27.533 -16.892 -17.706 1.00 0.00 C ATOM 441 CG GLU A 745 28.250 -17.091 -16.381 1.00 0.00 C ATOM 442 CD GLU A 745 29.310 -18.165 -16.454 1.00 0.00 C ATOM 443 OE1 GLU A 745 28.950 -19.364 -16.475 1.00 0.00 O ATOM 444 OE2 GLU A 745 30.508 -17.820 -16.507 1.00 0.00 O ATOM 0 H GLU A 745 25.458 -17.263 -16.314 1.00 0.00 H new ATOM 0 HA GLU A 745 26.750 -14.906 -17.476 1.00 0.00 H new ATOM 0 HB2 GLU A 745 27.167 -17.855 -18.060 1.00 0.00 H new ATOM 0 HB3 GLU A 745 28.247 -16.531 -18.446 1.00 0.00 H new ATOM 0 HG2 GLU A 745 28.710 -16.151 -16.075 1.00 0.00 H new ATOM 0 HG3 GLU A 745 27.522 -17.354 -15.613 1.00 0.00 H new ATOM 451 N PHE A 746 25.359 -14.790 -19.514 1.00 0.00 N ATOM 452 CA PHE A 746 24.646 -14.707 -20.775 1.00 0.00 C ATOM 453 C PHE A 746 25.609 -14.864 -21.946 1.00 0.00 C ATOM 454 O PHE A 746 26.755 -14.416 -21.878 1.00 0.00 O ATOM 455 CB PHE A 746 23.905 -13.377 -20.898 1.00 0.00 C ATOM 456 CG PHE A 746 22.680 -13.272 -20.037 1.00 0.00 C ATOM 457 CD1 PHE A 746 21.460 -13.742 -20.497 1.00 0.00 C ATOM 458 CD2 PHE A 746 22.740 -12.692 -18.780 1.00 0.00 C ATOM 459 CE1 PHE A 746 20.322 -13.636 -19.721 1.00 0.00 C ATOM 460 CE2 PHE A 746 21.605 -12.585 -17.998 1.00 0.00 C ATOM 461 CZ PHE A 746 20.394 -13.056 -18.470 1.00 0.00 C ATOM 0 H PHE A 746 25.677 -13.893 -19.146 1.00 0.00 H new ATOM 0 HA PHE A 746 23.918 -15.518 -20.798 1.00 0.00 H new ATOM 0 HB2 PHE A 746 24.588 -12.568 -20.638 1.00 0.00 H new ATOM 0 HB3 PHE A 746 23.617 -13.229 -21.939 1.00 0.00 H new ATOM 0 HD1 PHE A 746 21.398 -14.197 -21.475 1.00 0.00 H new ATOM 0 HD2 PHE A 746 23.683 -12.320 -18.407 1.00 0.00 H new ATOM 0 HE1 PHE A 746 19.378 -14.006 -20.092 1.00 0.00 H new ATOM 0 HE2 PHE A 746 21.664 -12.134 -17.019 1.00 0.00 H new ATOM 0 HZ PHE A 746 19.506 -12.970 -17.861 1.00 0.00 H new ATOM 471 N PRO A 747 25.156 -15.504 -23.035 1.00 0.00 N ATOM 472 CA PRO A 747 25.966 -15.681 -24.240 1.00 0.00 C ATOM 473 C PRO A 747 26.287 -14.347 -24.917 1.00 0.00 C ATOM 474 O PRO A 747 25.525 -13.386 -24.807 1.00 0.00 O ATOM 475 CB PRO A 747 25.083 -16.543 -25.155 1.00 0.00 C ATOM 476 CG PRO A 747 24.035 -17.120 -24.266 1.00 0.00 C ATOM 477 CD PRO A 747 23.823 -16.109 -23.179 1.00 0.00 C ATOM 0 HA PRO A 747 26.931 -16.135 -24.015 1.00 0.00 H new ATOM 0 HB2 PRO A 747 24.638 -15.944 -25.949 1.00 0.00 H new ATOM 0 HB3 PRO A 747 25.665 -17.328 -25.637 1.00 0.00 H new ATOM 0 HG2 PRO A 747 23.112 -17.303 -24.816 1.00 0.00 H new ATOM 0 HG3 PRO A 747 24.355 -18.077 -23.854 1.00 0.00 H new ATOM 0 HD2 PRO A 747 23.071 -15.370 -23.455 1.00 0.00 H new ATOM 0 HD3 PRO A 747 23.488 -16.575 -22.252 1.00 0.00 H new ATOM 485 N PRO A 748 27.417 -14.276 -25.640 1.00 0.00 N ATOM 486 CA PRO A 748 27.819 -13.076 -26.385 1.00 0.00 C ATOM 487 C PRO A 748 26.895 -12.819 -27.568 1.00 0.00 C ATOM 488 O PRO A 748 27.004 -11.803 -28.259 1.00 0.00 O ATOM 489 CB PRO A 748 29.230 -13.396 -26.882 1.00 0.00 C ATOM 490 CG PRO A 748 29.649 -14.625 -26.148 1.00 0.00 C ATOM 491 CD PRO A 748 28.396 -15.356 -25.788 1.00 0.00 C ATOM 0 HA PRO A 748 27.775 -12.181 -25.765 1.00 0.00 H new ATOM 0 HB2 PRO A 748 29.237 -13.562 -27.959 1.00 0.00 H new ATOM 0 HB3 PRO A 748 29.912 -12.569 -26.682 1.00 0.00 H new ATOM 0 HG2 PRO A 748 30.295 -15.246 -26.769 1.00 0.00 H new ATOM 0 HG3 PRO A 748 30.218 -14.368 -25.254 1.00 0.00 H new ATOM 0 HD2 PRO A 748 28.103 -16.063 -26.565 1.00 0.00 H new ATOM 0 HD3 PRO A 748 28.511 -15.926 -24.866 1.00 0.00 H new ATOM 499 N SER A 749 26.010 -13.779 -27.806 1.00 0.00 N ATOM 500 CA SER A 749 24.949 -13.649 -28.797 1.00 0.00 C ATOM 501 C SER A 749 24.042 -12.459 -28.466 1.00 0.00 C ATOM 502 O SER A 749 23.333 -11.940 -29.333 1.00 0.00 O ATOM 503 CB SER A 749 24.131 -14.939 -28.833 1.00 0.00 C ATOM 504 OG SER A 749 24.980 -16.078 -28.856 1.00 0.00 O ATOM 0 H SER A 749 26.008 -14.673 -27.315 1.00 0.00 H new ATOM 0 HA SER A 749 25.397 -13.473 -29.775 1.00 0.00 H new ATOM 0 HB2 SER A 749 23.478 -14.985 -27.961 1.00 0.00 H new ATOM 0 HB3 SER A 749 23.488 -14.942 -29.713 1.00 0.00 H new ATOM 0 HG SER A 749 24.435 -16.892 -28.877 1.00 0.00 H new ATOM 510 N LEU A 750 24.059 -12.047 -27.202 1.00 0.00 N ATOM 511 CA LEU A 750 23.366 -10.841 -26.774 1.00 0.00 C ATOM 512 C LEU A 750 24.119 -9.610 -27.263 1.00 0.00 C ATOM 513 O LEU A 750 25.256 -9.371 -26.850 1.00 0.00 O ATOM 514 CB LEU A 750 23.261 -10.783 -25.246 1.00 0.00 C ATOM 515 CG LEU A 750 22.128 -11.594 -24.614 1.00 0.00 C ATOM 516 CD1 LEU A 750 22.343 -13.087 -24.800 1.00 0.00 C ATOM 517 CD2 LEU A 750 22.007 -11.248 -23.139 1.00 0.00 C ATOM 0 H LEU A 750 24.549 -12.536 -26.453 1.00 0.00 H new ATOM 0 HA LEU A 750 22.362 -10.860 -27.199 1.00 0.00 H new ATOM 0 HB2 LEU A 750 24.205 -11.128 -24.825 1.00 0.00 H new ATOM 0 HB3 LEU A 750 23.142 -9.741 -24.950 1.00 0.00 H new ATOM 0 HG LEU A 750 21.198 -11.334 -25.118 1.00 0.00 H new ATOM 0 HD11 LEU A 750 21.520 -13.633 -24.339 1.00 0.00 H new ATOM 0 HD12 LEU A 750 22.382 -13.319 -25.864 1.00 0.00 H new ATOM 0 HD13 LEU A 750 23.282 -13.381 -24.330 1.00 0.00 H new ATOM 0 HD21 LEU A 750 21.199 -11.828 -22.694 1.00 0.00 H new ATOM 0 HD22 LEU A 750 22.943 -11.482 -22.632 1.00 0.00 H new ATOM 0 HD23 LEU A 750 21.792 -10.185 -23.031 1.00 0.00 H new ATOM 529 N ASN A 751 23.500 -8.834 -28.139 1.00 0.00 N ATOM 530 CA ASN A 751 24.136 -7.617 -28.624 1.00 0.00 C ATOM 531 C ASN A 751 23.912 -6.490 -27.618 1.00 0.00 C ATOM 532 O ASN A 751 23.298 -6.702 -26.572 1.00 0.00 O ATOM 533 CB ASN A 751 23.632 -7.220 -30.023 1.00 0.00 C ATOM 534 CG ASN A 751 22.174 -6.806 -30.054 1.00 0.00 C ATOM 535 OD1 ASN A 751 21.842 -5.647 -29.808 1.00 0.00 O ATOM 536 ND2 ASN A 751 21.299 -7.737 -30.391 1.00 0.00 N ATOM 0 H ASN A 751 22.574 -9.019 -28.524 1.00 0.00 H new ATOM 0 HA ASN A 751 25.205 -7.805 -28.721 1.00 0.00 H new ATOM 0 HB2 ASN A 751 24.241 -6.398 -30.399 1.00 0.00 H new ATOM 0 HB3 ASN A 751 23.776 -8.060 -30.703 1.00 0.00 H new ATOM 0 HD21 ASN A 751 20.308 -7.506 -30.455 1.00 0.00 H new ATOM 0 HD22 ASN A 751 21.615 -8.687 -30.587 1.00 0.00 H new ATOM 543 N SER A 752 24.407 -5.298 -27.927 1.00 0.00 N ATOM 544 CA SER A 752 24.338 -4.177 -26.993 1.00 0.00 C ATOM 545 C SER A 752 22.897 -3.836 -26.601 1.00 0.00 C ATOM 546 O SER A 752 22.655 -3.369 -25.494 1.00 0.00 O ATOM 547 CB SER A 752 25.043 -2.958 -27.583 1.00 0.00 C ATOM 548 OG SER A 752 26.416 -3.240 -27.811 1.00 0.00 O ATOM 0 H SER A 752 24.860 -5.081 -28.815 1.00 0.00 H new ATOM 0 HA SER A 752 24.850 -4.478 -26.079 1.00 0.00 H new ATOM 0 HB2 SER A 752 24.564 -2.671 -28.519 1.00 0.00 H new ATOM 0 HB3 SER A 752 24.947 -2.111 -26.904 1.00 0.00 H new ATOM 0 HG SER A 752 26.854 -2.450 -28.191 1.00 0.00 H new ATOM 554 N HIS A 753 21.944 -4.098 -27.491 1.00 0.00 N ATOM 555 CA HIS A 753 20.537 -3.849 -27.193 1.00 0.00 C ATOM 556 C HIS A 753 20.028 -4.868 -26.176 1.00 0.00 C ATOM 557 O HIS A 753 19.354 -4.513 -25.208 1.00 0.00 O ATOM 558 CB HIS A 753 19.703 -3.913 -28.478 1.00 0.00 C ATOM 559 CG HIS A 753 18.258 -3.561 -28.294 1.00 0.00 C ATOM 560 ND1 HIS A 753 17.239 -4.487 -28.243 1.00 0.00 N ATOM 561 CD2 HIS A 753 17.667 -2.347 -28.167 1.00 0.00 C ATOM 562 CE1 HIS A 753 16.086 -3.822 -28.091 1.00 0.00 C ATOM 563 NE2 HIS A 753 16.291 -2.520 -28.038 1.00 0.00 N ATOM 0 H HIS A 753 22.119 -4.481 -28.420 1.00 0.00 H new ATOM 0 HA HIS A 753 20.439 -2.851 -26.766 1.00 0.00 H new ATOM 0 HB2 HIS A 753 20.139 -3.237 -29.214 1.00 0.00 H new ATOM 0 HB3 HIS A 753 19.770 -4.920 -28.891 1.00 0.00 H new ATOM 0 HD2 HIS A 753 18.181 -1.397 -28.166 1.00 0.00 H new ATOM 0 HE1 HIS A 753 15.115 -4.291 -28.021 1.00 0.00 H new ATOM 0 HE2 HIS A 753 15.587 -1.790 -27.926 1.00 0.00 H new ATOM 571 N ASP A 754 20.373 -6.133 -26.397 1.00 0.00 N ATOM 572 CA ASP A 754 19.984 -7.204 -25.484 1.00 0.00 C ATOM 573 C ASP A 754 20.581 -6.959 -24.111 1.00 0.00 C ATOM 574 O ASP A 754 19.877 -6.979 -23.100 1.00 0.00 O ATOM 575 CB ASP A 754 20.461 -8.567 -25.989 1.00 0.00 C ATOM 576 CG ASP A 754 19.879 -8.962 -27.326 1.00 0.00 C ATOM 577 OD1 ASP A 754 18.648 -8.860 -27.506 1.00 0.00 O ATOM 578 OD2 ASP A 754 20.657 -9.382 -28.208 1.00 0.00 O ATOM 0 H ASP A 754 20.921 -6.442 -27.200 1.00 0.00 H new ATOM 0 HA ASP A 754 18.895 -7.209 -25.428 1.00 0.00 H new ATOM 0 HB2 ASP A 754 21.548 -8.555 -26.066 1.00 0.00 H new ATOM 0 HB3 ASP A 754 20.202 -9.327 -25.252 1.00 0.00 H new ATOM 583 N ARG A 755 21.888 -6.718 -24.090 1.00 0.00 N ATOM 584 CA ARG A 755 22.607 -6.456 -22.850 1.00 0.00 C ATOM 585 C ARG A 755 22.016 -5.256 -22.126 1.00 0.00 C ATOM 586 O ARG A 755 21.812 -5.297 -20.917 1.00 0.00 O ATOM 587 CB ARG A 755 24.096 -6.221 -23.130 1.00 0.00 C ATOM 588 CG ARG A 755 24.802 -7.446 -23.674 1.00 0.00 C ATOM 589 CD ARG A 755 26.293 -7.217 -23.887 1.00 0.00 C ATOM 590 NE ARG A 755 26.565 -6.293 -24.993 1.00 0.00 N ATOM 591 CZ ARG A 755 27.467 -6.522 -25.956 1.00 0.00 C ATOM 592 NH1 ARG A 755 28.186 -7.643 -25.953 1.00 0.00 N ATOM 593 NH2 ARG A 755 27.651 -5.632 -26.926 1.00 0.00 N ATOM 0 H ARG A 755 22.474 -6.699 -24.925 1.00 0.00 H new ATOM 0 HA ARG A 755 22.505 -7.332 -22.209 1.00 0.00 H new ATOM 0 HB2 ARG A 755 24.200 -5.403 -23.843 1.00 0.00 H new ATOM 0 HB3 ARG A 755 24.587 -5.906 -22.209 1.00 0.00 H new ATOM 0 HG2 ARG A 755 24.661 -8.278 -22.984 1.00 0.00 H new ATOM 0 HG3 ARG A 755 24.344 -7.735 -24.620 1.00 0.00 H new ATOM 0 HD2 ARG A 755 26.731 -6.822 -22.971 1.00 0.00 H new ATOM 0 HD3 ARG A 755 26.779 -8.172 -24.087 1.00 0.00 H new ATOM 0 HE ARG A 755 26.035 -5.423 -25.031 1.00 0.00 H new ATOM 0 HH11 ARG A 755 28.051 -8.333 -25.214 1.00 0.00 H new ATOM 0 HH12 ARG A 755 28.871 -7.811 -26.689 1.00 0.00 H new ATOM 0 HH21 ARG A 755 27.104 -4.771 -26.939 1.00 0.00 H new ATOM 0 HH22 ARG A 755 28.339 -5.810 -27.658 1.00 0.00 H new ATOM 607 N LEU A 756 21.721 -4.205 -22.884 1.00 0.00 N ATOM 608 CA LEU A 756 21.145 -2.983 -22.331 1.00 0.00 C ATOM 609 C LEU A 756 19.860 -3.271 -21.558 1.00 0.00 C ATOM 610 O LEU A 756 19.636 -2.707 -20.484 1.00 0.00 O ATOM 611 CB LEU A 756 20.877 -1.985 -23.458 1.00 0.00 C ATOM 612 CG LEU A 756 20.139 -0.710 -23.050 1.00 0.00 C ATOM 613 CD1 LEU A 756 21.005 0.130 -22.131 1.00 0.00 C ATOM 614 CD2 LEU A 756 19.732 0.087 -24.278 1.00 0.00 C ATOM 0 H LEU A 756 21.873 -4.175 -23.892 1.00 0.00 H new ATOM 0 HA LEU A 756 21.861 -2.554 -21.630 1.00 0.00 H new ATOM 0 HB2 LEU A 756 21.831 -1.704 -23.905 1.00 0.00 H new ATOM 0 HB3 LEU A 756 20.297 -2.487 -24.233 1.00 0.00 H new ATOM 0 HG LEU A 756 19.235 -0.991 -22.510 1.00 0.00 H new ATOM 0 HD11 LEU A 756 20.466 1.034 -21.849 1.00 0.00 H new ATOM 0 HD12 LEU A 756 21.247 -0.442 -21.235 1.00 0.00 H new ATOM 0 HD13 LEU A 756 21.926 0.402 -22.647 1.00 0.00 H new ATOM 0 HD21 LEU A 756 19.208 0.991 -23.968 1.00 0.00 H new ATOM 0 HD22 LEU A 756 20.621 0.360 -24.846 1.00 0.00 H new ATOM 0 HD23 LEU A 756 19.074 -0.517 -24.903 1.00 0.00 H new ATOM 626 N ARG A 757 19.015 -4.142 -22.102 1.00 0.00 N ATOM 627 CA ARG A 757 17.802 -4.548 -21.403 1.00 0.00 C ATOM 628 C ARG A 757 18.150 -5.283 -20.116 1.00 0.00 C ATOM 629 O ARG A 757 17.607 -4.974 -19.058 1.00 0.00 O ATOM 630 CB ARG A 757 16.911 -5.431 -22.282 1.00 0.00 C ATOM 631 CG ARG A 757 16.125 -4.662 -23.334 1.00 0.00 C ATOM 632 CD ARG A 757 15.218 -3.607 -22.705 1.00 0.00 C ATOM 633 NE ARG A 757 14.273 -4.179 -21.740 1.00 0.00 N ATOM 634 CZ ARG A 757 13.932 -3.598 -20.584 1.00 0.00 C ATOM 635 NH1 ARG A 757 14.440 -2.417 -20.252 1.00 0.00 N ATOM 636 NH2 ARG A 757 13.062 -4.187 -19.770 1.00 0.00 N ATOM 0 H ARG A 757 19.146 -4.576 -23.016 1.00 0.00 H new ATOM 0 HA ARG A 757 17.246 -3.642 -21.162 1.00 0.00 H new ATOM 0 HB2 ARG A 757 17.532 -6.176 -22.779 1.00 0.00 H new ATOM 0 HB3 ARG A 757 16.212 -5.973 -21.645 1.00 0.00 H new ATOM 0 HG2 ARG A 757 16.817 -4.181 -24.025 1.00 0.00 H new ATOM 0 HG3 ARG A 757 15.523 -5.358 -23.918 1.00 0.00 H new ATOM 0 HD2 ARG A 757 15.831 -2.856 -22.206 1.00 0.00 H new ATOM 0 HD3 ARG A 757 14.663 -3.094 -23.491 1.00 0.00 H new ATOM 0 HE ARG A 757 13.848 -5.079 -21.965 1.00 0.00 H new ATOM 0 HH11 ARG A 757 15.093 -1.948 -20.879 1.00 0.00 H new ATOM 0 HH12 ARG A 757 14.177 -1.978 -19.370 1.00 0.00 H new ATOM 0 HH21 ARG A 757 12.652 -5.085 -20.026 1.00 0.00 H new ATOM 0 HH22 ARG A 757 12.805 -3.741 -18.890 1.00 0.00 H new ATOM 650 N VAL A 758 19.075 -6.236 -20.214 1.00 0.00 N ATOM 651 CA VAL A 758 19.510 -7.015 -19.056 1.00 0.00 C ATOM 652 C VAL A 758 20.023 -6.103 -17.946 1.00 0.00 C ATOM 653 O VAL A 758 19.658 -6.267 -16.778 1.00 0.00 O ATOM 654 CB VAL A 758 20.615 -8.024 -19.435 1.00 0.00 C ATOM 655 CG1 VAL A 758 21.032 -8.850 -18.231 1.00 0.00 C ATOM 656 CG2 VAL A 758 20.156 -8.934 -20.557 1.00 0.00 C ATOM 0 H VAL A 758 19.539 -6.488 -21.087 1.00 0.00 H new ATOM 0 HA VAL A 758 18.640 -7.565 -18.698 1.00 0.00 H new ATOM 0 HB VAL A 758 21.478 -7.455 -19.781 1.00 0.00 H new ATOM 0 HG11 VAL A 758 21.811 -9.553 -18.524 1.00 0.00 H new ATOM 0 HG12 VAL A 758 21.413 -8.190 -17.452 1.00 0.00 H new ATOM 0 HG13 VAL A 758 20.171 -9.400 -17.852 1.00 0.00 H new ATOM 0 HG21 VAL A 758 20.952 -9.635 -20.805 1.00 0.00 H new ATOM 0 HG22 VAL A 758 19.272 -9.487 -20.239 1.00 0.00 H new ATOM 0 HG23 VAL A 758 19.913 -8.335 -21.435 1.00 0.00 H new ATOM 666 N HIS A 759 20.862 -5.137 -18.321 1.00 0.00 N ATOM 667 CA HIS A 759 21.397 -4.166 -17.370 1.00 0.00 C ATOM 668 C HIS A 759 20.269 -3.434 -16.659 1.00 0.00 C ATOM 669 O HIS A 759 20.212 -3.413 -15.433 1.00 0.00 O ATOM 670 CB HIS A 759 22.310 -3.145 -18.064 1.00 0.00 C ATOM 671 CG HIS A 759 23.639 -3.697 -18.489 1.00 0.00 C ATOM 672 ND1 HIS A 759 24.613 -3.999 -17.570 1.00 0.00 N ATOM 673 CD2 HIS A 759 24.103 -3.981 -19.729 1.00 0.00 C ATOM 674 CE1 HIS A 759 25.634 -4.459 -18.258 1.00 0.00 C ATOM 675 NE2 HIS A 759 25.377 -4.466 -19.574 1.00 0.00 N ATOM 0 H HIS A 759 21.186 -5.007 -19.280 1.00 0.00 H new ATOM 0 HA HIS A 759 21.987 -4.719 -16.639 1.00 0.00 H new ATOM 0 HB2 HIS A 759 21.796 -2.751 -18.941 1.00 0.00 H new ATOM 0 HB3 HIS A 759 22.477 -2.306 -17.389 1.00 0.00 H new ATOM 0 HD1 HIS A 759 24.556 -3.889 -16.558 1.00 0.00 H new ATOM 0 HD2 HIS A 759 23.572 -3.851 -20.661 1.00 0.00 H new ATOM 0 HE1 HIS A 759 26.563 -4.790 -17.819 1.00 0.00 H new ATOM 683 N GLN A 760 19.360 -2.852 -17.437 1.00 0.00 N ATOM 684 CA GLN A 760 18.251 -2.083 -16.886 1.00 0.00 C ATOM 685 C GLN A 760 17.379 -2.931 -15.967 1.00 0.00 C ATOM 686 O GLN A 760 16.948 -2.466 -14.911 1.00 0.00 O ATOM 687 CB GLN A 760 17.408 -1.492 -18.013 1.00 0.00 C ATOM 688 CG GLN A 760 18.104 -0.374 -18.767 1.00 0.00 C ATOM 689 CD GLN A 760 17.247 0.206 -19.877 1.00 0.00 C ATOM 690 OE1 GLN A 760 16.019 0.192 -19.803 1.00 0.00 O ATOM 691 NE2 GLN A 760 17.887 0.732 -20.904 1.00 0.00 N ATOM 0 H GLN A 760 19.371 -2.900 -18.456 1.00 0.00 H new ATOM 0 HA GLN A 760 18.673 -1.274 -16.290 1.00 0.00 H new ATOM 0 HB2 GLN A 760 17.146 -2.284 -18.714 1.00 0.00 H new ATOM 0 HB3 GLN A 760 16.474 -1.113 -17.597 1.00 0.00 H new ATOM 0 HG2 GLN A 760 18.371 0.419 -18.068 1.00 0.00 H new ATOM 0 HG3 GLN A 760 19.034 -0.752 -19.191 1.00 0.00 H new ATOM 0 HE21 GLN A 760 18.907 0.724 -20.928 1.00 0.00 H new ATOM 0 HE22 GLN A 760 17.362 1.147 -21.674 1.00 0.00 H new ATOM 700 N ILE A 761 17.138 -4.174 -16.363 1.00 0.00 N ATOM 701 CA ILE A 761 16.312 -5.085 -15.578 1.00 0.00 C ATOM 702 C ILE A 761 16.971 -5.409 -14.238 1.00 0.00 C ATOM 703 O ILE A 761 16.365 -5.227 -13.181 1.00 0.00 O ATOM 704 CB ILE A 761 16.028 -6.394 -16.342 1.00 0.00 C ATOM 705 CG1 ILE A 761 15.207 -6.101 -17.596 1.00 0.00 C ATOM 706 CG2 ILE A 761 15.297 -7.390 -15.450 1.00 0.00 C ATOM 707 CD1 ILE A 761 15.123 -7.268 -18.557 1.00 0.00 C ATOM 0 H ILE A 761 17.504 -4.576 -17.226 1.00 0.00 H new ATOM 0 HA ILE A 761 15.365 -4.577 -15.396 1.00 0.00 H new ATOM 0 HB ILE A 761 16.979 -6.836 -16.639 1.00 0.00 H new ATOM 0 HG12 ILE A 761 14.198 -5.813 -17.300 1.00 0.00 H new ATOM 0 HG13 ILE A 761 15.643 -5.247 -18.114 1.00 0.00 H new ATOM 0 HG21 ILE A 761 15.106 -8.307 -16.008 1.00 0.00 H new ATOM 0 HG22 ILE A 761 15.911 -7.617 -14.579 1.00 0.00 H new ATOM 0 HG23 ILE A 761 14.350 -6.960 -15.124 1.00 0.00 H new ATOM 0 HD11 ILE A 761 14.524 -6.984 -19.423 1.00 0.00 H new ATOM 0 HD12 ILE A 761 16.126 -7.543 -18.884 1.00 0.00 H new ATOM 0 HD13 ILE A 761 14.658 -8.118 -18.057 1.00 0.00 H new ATOM 719 N ALA A 762 18.217 -5.872 -14.279 1.00 0.00 N ATOM 720 CA ALA A 762 18.937 -6.220 -13.057 1.00 0.00 C ATOM 721 C ALA A 762 19.108 -4.993 -12.167 1.00 0.00 C ATOM 722 O ALA A 762 19.025 -5.078 -10.941 1.00 0.00 O ATOM 723 CB ALA A 762 20.292 -6.826 -13.394 1.00 0.00 C ATOM 0 H ALA A 762 18.747 -6.014 -15.139 1.00 0.00 H new ATOM 0 HA ALA A 762 18.352 -6.960 -12.512 1.00 0.00 H new ATOM 0 HB1 ALA A 762 20.816 -7.080 -12.473 1.00 0.00 H new ATOM 0 HB2 ALA A 762 20.149 -7.727 -13.991 1.00 0.00 H new ATOM 0 HB3 ALA A 762 20.882 -6.106 -13.960 1.00 0.00 H new ATOM 729 N GLU A 763 19.330 -3.853 -12.807 1.00 0.00 N ATOM 730 CA GLU A 763 19.475 -2.576 -12.122 1.00 0.00 C ATOM 731 C GLU A 763 18.172 -2.179 -11.425 1.00 0.00 C ATOM 732 O GLU A 763 18.181 -1.527 -10.379 1.00 0.00 O ATOM 733 CB GLU A 763 19.879 -1.519 -13.149 1.00 0.00 C ATOM 734 CG GLU A 763 20.104 -0.129 -12.595 1.00 0.00 C ATOM 735 CD GLU A 763 20.521 0.835 -13.681 1.00 0.00 C ATOM 736 OE1 GLU A 763 19.672 1.179 -14.532 1.00 0.00 O ATOM 737 OE2 GLU A 763 21.700 1.251 -13.701 1.00 0.00 O ATOM 0 H GLU A 763 19.415 -3.788 -13.821 1.00 0.00 H new ATOM 0 HA GLU A 763 20.243 -2.659 -11.353 1.00 0.00 H new ATOM 0 HB2 GLU A 763 20.794 -1.847 -13.643 1.00 0.00 H new ATOM 0 HB3 GLU A 763 19.105 -1.466 -13.914 1.00 0.00 H new ATOM 0 HG2 GLU A 763 19.190 0.228 -12.121 1.00 0.00 H new ATOM 0 HG3 GLU A 763 20.872 -0.163 -11.822 1.00 0.00 H new ATOM 744 N GLU A 764 17.054 -2.582 -12.010 1.00 0.00 N ATOM 745 CA GLU A 764 15.741 -2.276 -11.459 1.00 0.00 C ATOM 746 C GLU A 764 15.380 -3.260 -10.349 1.00 0.00 C ATOM 747 O GLU A 764 14.766 -2.886 -9.349 1.00 0.00 O ATOM 748 CB GLU A 764 14.695 -2.317 -12.571 1.00 0.00 C ATOM 749 CG GLU A 764 13.312 -1.873 -12.135 1.00 0.00 C ATOM 750 CD GLU A 764 12.324 -1.897 -13.277 1.00 0.00 C ATOM 751 OE1 GLU A 764 12.309 -0.936 -14.075 1.00 0.00 O ATOM 752 OE2 GLU A 764 11.566 -2.881 -13.396 1.00 0.00 O ATOM 0 H GLU A 764 17.030 -3.126 -12.873 1.00 0.00 H new ATOM 0 HA GLU A 764 15.764 -1.275 -11.028 1.00 0.00 H new ATOM 0 HB2 GLU A 764 15.027 -1.681 -13.392 1.00 0.00 H new ATOM 0 HB3 GLU A 764 14.633 -3.333 -12.960 1.00 0.00 H new ATOM 0 HG2 GLU A 764 12.958 -2.523 -11.335 1.00 0.00 H new ATOM 0 HG3 GLU A 764 13.367 -0.865 -11.725 1.00 0.00 H new ATOM 759 N HIS A 765 15.774 -4.513 -10.529 1.00 0.00 N ATOM 760 CA HIS A 765 15.505 -5.554 -9.539 1.00 0.00 C ATOM 761 C HIS A 765 16.417 -5.409 -8.323 1.00 0.00 C ATOM 762 O HIS A 765 16.092 -5.883 -7.233 1.00 0.00 O ATOM 763 CB HIS A 765 15.667 -6.946 -10.164 1.00 0.00 C ATOM 764 CG HIS A 765 14.539 -7.344 -11.072 1.00 0.00 C ATOM 765 ND1 HIS A 765 14.013 -8.617 -11.132 1.00 0.00 N ATOM 766 CD2 HIS A 765 13.834 -6.610 -11.971 1.00 0.00 C ATOM 767 CE1 HIS A 765 13.030 -8.617 -12.040 1.00 0.00 C ATOM 768 NE2 HIS A 765 12.879 -7.423 -12.579 1.00 0.00 N ATOM 0 H HIS A 765 16.282 -4.837 -11.352 1.00 0.00 H new ATOM 0 HA HIS A 765 14.474 -5.438 -9.204 1.00 0.00 H new ATOM 0 HB2 HIS A 765 16.600 -6.974 -10.727 1.00 0.00 H new ATOM 0 HB3 HIS A 765 15.755 -7.683 -9.366 1.00 0.00 H new ATOM 0 HD1 HIS A 765 14.320 -9.419 -10.581 1.00 0.00 H new ATOM 0 HD2 HIS A 765 13.989 -5.562 -12.182 1.00 0.00 H new ATOM 0 HE1 HIS A 765 12.437 -9.482 -12.298 1.00 0.00 H new ATOM 776 N GLY A 766 17.554 -4.752 -8.511 1.00 0.00 N ATOM 777 CA GLY A 766 18.459 -4.511 -7.403 1.00 0.00 C ATOM 778 C GLY A 766 19.560 -5.548 -7.317 1.00 0.00 C ATOM 779 O GLY A 766 20.045 -5.861 -6.229 1.00 0.00 O ATOM 0 H GLY A 766 17.866 -4.382 -9.409 1.00 0.00 H new ATOM 0 HA2 GLY A 766 18.904 -3.522 -7.510 1.00 0.00 H new ATOM 0 HA3 GLY A 766 17.894 -4.507 -6.471 1.00 0.00 H new ATOM 783 N LEU A 767 19.959 -6.076 -8.466 1.00 0.00 N ATOM 784 CA LEU A 767 20.990 -7.104 -8.522 1.00 0.00 C ATOM 785 C LEU A 767 22.274 -6.532 -9.108 1.00 0.00 C ATOM 786 O LEU A 767 22.355 -5.336 -9.398 1.00 0.00 O ATOM 787 CB LEU A 767 20.518 -8.286 -9.373 1.00 0.00 C ATOM 788 CG LEU A 767 19.189 -8.912 -8.949 1.00 0.00 C ATOM 789 CD1 LEU A 767 18.779 -10.001 -9.929 1.00 0.00 C ATOM 790 CD2 LEU A 767 19.283 -9.476 -7.536 1.00 0.00 C ATOM 0 H LEU A 767 19.583 -5.808 -9.375 1.00 0.00 H new ATOM 0 HA LEU A 767 21.184 -7.452 -7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 767 20.430 -7.954 -10.408 1.00 0.00 H new ATOM 0 HB3 LEU A 767 21.287 -9.058 -9.350 1.00 0.00 H new ATOM 0 HG LEU A 767 18.427 -8.133 -8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 767 17.831 -10.437 -9.613 1.00 0.00 H new ATOM 0 HD12 LEU A 767 18.667 -9.571 -10.924 1.00 0.00 H new ATOM 0 HD13 LEU A 767 19.545 -10.776 -9.953 1.00 0.00 H new ATOM 0 HD21 LEU A 767 18.326 -9.916 -7.256 1.00 0.00 H new ATOM 0 HD22 LEU A 767 20.059 -10.241 -7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 767 19.532 -8.675 -6.840 1.00 0.00 H new ATOM 802 N ARG A 768 23.275 -7.383 -9.281 1.00 0.00 N ATOM 803 CA ARG A 768 24.534 -6.965 -9.876 1.00 0.00 C ATOM 804 C ARG A 768 24.597 -7.386 -11.337 1.00 0.00 C ATOM 805 O ARG A 768 24.259 -8.517 -11.681 1.00 0.00 O ATOM 806 CB ARG A 768 25.721 -7.560 -9.121 1.00 0.00 C ATOM 807 CG ARG A 768 27.060 -7.193 -9.734 1.00 0.00 C ATOM 808 CD ARG A 768 28.207 -7.939 -9.078 1.00 0.00 C ATOM 809 NE ARG A 768 28.342 -7.613 -7.664 1.00 0.00 N ATOM 810 CZ ARG A 768 29.508 -7.565 -7.025 1.00 0.00 C ATOM 811 NH1 ARG A 768 30.632 -7.877 -7.660 1.00 0.00 N ATOM 812 NH2 ARG A 768 29.548 -7.224 -5.745 1.00 0.00 N ATOM 0 H ARG A 768 23.239 -8.368 -9.017 1.00 0.00 H new ATOM 0 HA ARG A 768 24.588 -5.878 -9.812 1.00 0.00 H new ATOM 0 HB2 ARG A 768 25.695 -7.217 -8.087 1.00 0.00 H new ATOM 0 HB3 ARG A 768 25.623 -8.645 -9.099 1.00 0.00 H new ATOM 0 HG2 ARG A 768 27.044 -7.417 -10.801 1.00 0.00 H new ATOM 0 HG3 ARG A 768 27.222 -6.120 -9.636 1.00 0.00 H new ATOM 0 HD2 ARG A 768 28.050 -9.012 -9.188 1.00 0.00 H new ATOM 0 HD3 ARG A 768 29.136 -7.699 -9.594 1.00 0.00 H new ATOM 0 HE ARG A 768 27.494 -7.410 -7.134 1.00 0.00 H new ATOM 0 HH11 ARG A 768 30.603 -8.155 -8.641 1.00 0.00 H new ATOM 0 HH12 ARG A 768 31.524 -7.839 -7.167 1.00 0.00 H new ATOM 0 HH21 ARG A 768 28.685 -6.998 -5.250 1.00 0.00 H new ATOM 0 HH22 ARG A 768 30.442 -7.187 -5.255 1.00 0.00 H new ATOM 826 N HIS A 769 25.046 -6.480 -12.184 1.00 0.00 N ATOM 827 CA HIS A 769 25.134 -6.733 -13.611 1.00 0.00 C ATOM 828 C HIS A 769 26.356 -6.040 -14.185 1.00 0.00 C ATOM 829 O HIS A 769 26.639 -4.891 -13.847 1.00 0.00 O ATOM 830 CB HIS A 769 23.863 -6.248 -14.322 1.00 0.00 C ATOM 831 CG HIS A 769 23.468 -4.844 -13.964 1.00 0.00 C ATOM 832 ND1 HIS A 769 23.632 -3.810 -14.843 1.00 0.00 N ATOM 833 CD2 HIS A 769 22.938 -4.363 -12.812 1.00 0.00 C ATOM 834 CE1 HIS A 769 23.207 -2.729 -14.222 1.00 0.00 C ATOM 835 NE2 HIS A 769 22.777 -3.013 -12.982 1.00 0.00 N ATOM 0 H HIS A 769 25.359 -5.550 -11.905 1.00 0.00 H new ATOM 0 HA HIS A 769 25.229 -7.807 -13.771 1.00 0.00 H new ATOM 0 HB2 HIS A 769 24.015 -6.310 -15.400 1.00 0.00 H new ATOM 0 HB3 HIS A 769 23.041 -6.921 -14.077 1.00 0.00 H new ATOM 0 HD2 HIS A 769 22.690 -4.935 -11.930 1.00 0.00 H new ATOM 0 HE1 HIS A 769 23.205 -1.740 -14.655 1.00 0.00 H new ATOM 0 HE2 HIS A 769 22.404 -2.353 -12.300 1.00 0.00 H new ATOM 843 N ASP A 770 27.091 -6.750 -15.022 1.00 0.00 N ATOM 844 CA ASP A 770 28.258 -6.176 -15.681 1.00 0.00 C ATOM 845 C ASP A 770 28.689 -7.044 -16.848 1.00 0.00 C ATOM 846 O ASP A 770 28.477 -8.257 -16.839 1.00 0.00 O ATOM 847 CB ASP A 770 29.414 -6.017 -14.690 1.00 0.00 C ATOM 848 CG ASP A 770 30.584 -5.261 -15.286 1.00 0.00 C ATOM 849 OD1 ASP A 770 30.480 -4.021 -15.431 1.00 0.00 O ATOM 850 OD2 ASP A 770 31.605 -5.895 -15.617 1.00 0.00 O ATOM 0 H ASP A 770 26.904 -7.723 -15.263 1.00 0.00 H new ATOM 0 HA ASP A 770 27.985 -5.190 -16.058 1.00 0.00 H new ATOM 0 HB2 ASP A 770 29.059 -5.492 -13.803 1.00 0.00 H new ATOM 0 HB3 ASP A 770 29.749 -7.002 -14.365 1.00 0.00 H new ATOM 855 N SER A 771 29.270 -6.424 -17.860 1.00 0.00 N ATOM 856 CA SER A 771 29.740 -7.150 -19.019 1.00 0.00 C ATOM 857 C SER A 771 31.256 -7.077 -19.108 1.00 0.00 C ATOM 858 O SER A 771 31.846 -6.005 -18.981 1.00 0.00 O ATOM 859 CB SER A 771 29.120 -6.579 -20.285 1.00 0.00 C ATOM 860 OG SER A 771 27.741 -6.321 -20.097 1.00 0.00 O ATOM 0 H SER A 771 29.426 -5.417 -17.899 1.00 0.00 H new ATOM 0 HA SER A 771 29.442 -8.194 -18.918 1.00 0.00 H new ATOM 0 HB2 SER A 771 29.632 -5.658 -20.563 1.00 0.00 H new ATOM 0 HB3 SER A 771 29.254 -7.280 -21.109 1.00 0.00 H new ATOM 0 HG SER A 771 27.610 -5.371 -19.897 1.00 0.00 H new ATOM 976 N PHE A 779 30.518 -10.371 -22.892 1.00 0.00 N ATOM 977 CA PHE A 779 29.302 -11.020 -22.436 1.00 0.00 C ATOM 978 C PHE A 779 28.903 -10.441 -21.090 1.00 0.00 C ATOM 979 O PHE A 779 29.737 -9.869 -20.385 1.00 0.00 O ATOM 980 CB PHE A 779 29.496 -12.541 -22.340 1.00 0.00 C ATOM 981 CG PHE A 779 30.509 -12.970 -21.316 1.00 0.00 C ATOM 982 CD1 PHE A 779 31.865 -12.933 -21.599 1.00 0.00 C ATOM 983 CD2 PHE A 779 30.100 -13.425 -20.073 1.00 0.00 C ATOM 984 CE1 PHE A 779 32.793 -13.336 -20.657 1.00 0.00 C ATOM 985 CE2 PHE A 779 31.021 -13.828 -19.129 1.00 0.00 C ATOM 986 CZ PHE A 779 32.370 -13.784 -19.420 1.00 0.00 C ATOM 0 HA PHE A 779 28.506 -10.836 -23.157 1.00 0.00 H new ATOM 0 HB2 PHE A 779 28.538 -13.004 -22.103 1.00 0.00 H new ATOM 0 HB3 PHE A 779 29.800 -12.919 -23.316 1.00 0.00 H new ATOM 0 HD1 PHE A 779 32.200 -12.586 -22.565 1.00 0.00 H new ATOM 0 HD2 PHE A 779 29.046 -13.465 -19.840 1.00 0.00 H new ATOM 0 HE1 PHE A 779 33.848 -13.301 -20.888 1.00 0.00 H new ATOM 0 HE2 PHE A 779 30.687 -14.178 -18.163 1.00 0.00 H new ATOM 0 HZ PHE A 779 33.093 -14.099 -18.682 1.00 0.00 H new ATOM 996 N ILE A 780 27.640 -10.576 -20.734 1.00 0.00 N ATOM 997 CA ILE A 780 27.145 -9.980 -19.510 1.00 0.00 C ATOM 998 C ILE A 780 26.887 -11.042 -18.446 1.00 0.00 C ATOM 999 O ILE A 780 26.315 -12.096 -18.726 1.00 0.00 O ATOM 1000 CB ILE A 780 25.868 -9.142 -19.764 1.00 0.00 C ATOM 1001 CG1 ILE A 780 25.370 -8.522 -18.456 1.00 0.00 C ATOM 1002 CG2 ILE A 780 24.780 -9.984 -20.415 1.00 0.00 C ATOM 1003 CD1 ILE A 780 24.181 -7.606 -18.629 1.00 0.00 C ATOM 0 H ILE A 780 26.942 -11.090 -21.272 1.00 0.00 H new ATOM 0 HA ILE A 780 27.919 -9.308 -19.140 1.00 0.00 H new ATOM 0 HB ILE A 780 26.120 -8.337 -20.454 1.00 0.00 H new ATOM 0 HG12 ILE A 780 25.103 -9.321 -17.764 1.00 0.00 H new ATOM 0 HG13 ILE A 780 26.185 -7.962 -17.997 1.00 0.00 H new ATOM 0 HG21 ILE A 780 23.895 -9.370 -20.582 1.00 0.00 H new ATOM 0 HG22 ILE A 780 25.140 -10.369 -21.369 1.00 0.00 H new ATOM 0 HG23 ILE A 780 24.525 -10.818 -19.761 1.00 0.00 H new ATOM 0 HD11 ILE A 780 23.886 -7.205 -17.659 1.00 0.00 H new ATOM 0 HD12 ILE A 780 24.448 -6.785 -19.295 1.00 0.00 H new ATOM 0 HD13 ILE A 780 23.350 -8.166 -19.058 1.00 0.00 H new ATOM 1015 N THR A 781 27.344 -10.766 -17.238 1.00 0.00 N ATOM 1016 CA THR A 781 27.142 -11.661 -16.119 1.00 0.00 C ATOM 1017 C THR A 781 26.324 -10.965 -15.034 1.00 0.00 C ATOM 1018 O THR A 781 26.678 -9.872 -14.572 1.00 0.00 O ATOM 1019 CB THR A 781 28.491 -12.127 -15.544 1.00 0.00 C ATOM 1020 OG1 THR A 781 29.376 -12.469 -16.619 1.00 0.00 O ATOM 1021 CG2 THR A 781 28.308 -13.334 -14.638 1.00 0.00 C ATOM 0 H THR A 781 27.863 -9.919 -17.008 1.00 0.00 H new ATOM 0 HA THR A 781 26.597 -12.536 -16.472 1.00 0.00 H new ATOM 0 HB THR A 781 28.915 -11.313 -14.956 1.00 0.00 H new ATOM 0 HG1 THR A 781 30.236 -12.765 -16.253 1.00 0.00 H new ATOM 0 HG21 THR A 781 29.276 -13.644 -14.245 1.00 0.00 H new ATOM 0 HG22 THR A 781 27.647 -13.072 -13.812 1.00 0.00 H new ATOM 0 HG23 THR A 781 27.869 -14.153 -15.207 1.00 0.00 H new ATOM 1029 N VAL A 782 25.218 -11.586 -14.662 1.00 0.00 N ATOM 1030 CA VAL A 782 24.335 -11.044 -13.642 1.00 0.00 C ATOM 1031 C VAL A 782 24.465 -11.857 -12.365 1.00 0.00 C ATOM 1032 O VAL A 782 24.337 -13.075 -12.388 1.00 0.00 O ATOM 1033 CB VAL A 782 22.864 -11.063 -14.109 1.00 0.00 C ATOM 1034 CG1 VAL A 782 21.948 -10.406 -13.089 1.00 0.00 C ATOM 1035 CG2 VAL A 782 22.726 -10.389 -15.458 1.00 0.00 C ATOM 0 H VAL A 782 24.908 -12.475 -15.055 1.00 0.00 H new ATOM 0 HA VAL A 782 24.627 -10.010 -13.458 1.00 0.00 H new ATOM 0 HB VAL A 782 22.560 -12.105 -14.206 1.00 0.00 H new ATOM 0 HG11 VAL A 782 20.920 -10.437 -13.450 1.00 0.00 H new ATOM 0 HG12 VAL A 782 22.016 -10.940 -12.141 1.00 0.00 H new ATOM 0 HG13 VAL A 782 22.250 -9.369 -12.943 1.00 0.00 H new ATOM 0 HG21 VAL A 782 21.682 -10.412 -15.771 1.00 0.00 H new ATOM 0 HG22 VAL A 782 23.060 -9.354 -15.383 1.00 0.00 H new ATOM 0 HG23 VAL A 782 23.337 -10.915 -16.192 1.00 0.00 H new ATOM 1045 N SER A 783 24.724 -11.194 -11.260 1.00 0.00 N ATOM 1046 CA SER A 783 24.893 -11.884 -9.998 1.00 0.00 C ATOM 1047 C SER A 783 23.751 -11.548 -9.050 1.00 0.00 C ATOM 1048 O SER A 783 23.213 -10.436 -9.076 1.00 0.00 O ATOM 1049 CB SER A 783 26.226 -11.505 -9.345 1.00 0.00 C ATOM 1050 OG SER A 783 26.468 -12.291 -8.189 1.00 0.00 O ATOM 0 H SER A 783 24.822 -10.180 -11.208 1.00 0.00 H new ATOM 0 HA SER A 783 24.890 -12.955 -10.200 1.00 0.00 H new ATOM 0 HB2 SER A 783 27.037 -11.644 -10.060 1.00 0.00 H new ATOM 0 HB3 SER A 783 26.216 -10.449 -9.075 1.00 0.00 H new ATOM 0 HG SER A 783 26.095 -13.188 -8.319 1.00 0.00 H new ATOM 1056 N LYS A 784 23.385 -12.514 -8.220 1.00 0.00 N ATOM 1057 CA LYS A 784 22.406 -12.288 -7.171 1.00 0.00 C ATOM 1058 C LYS A 784 23.046 -11.532 -6.012 1.00 0.00 C ATOM 1059 O LYS A 784 22.365 -11.048 -5.107 1.00 0.00 O ATOM 1060 CB LYS A 784 21.845 -13.612 -6.660 1.00 0.00 C ATOM 1061 CG LYS A 784 20.894 -14.306 -7.627 1.00 0.00 C ATOM 1062 CD LYS A 784 19.725 -14.954 -6.895 1.00 0.00 C ATOM 1063 CE LYS A 784 20.180 -16.010 -5.899 1.00 0.00 C ATOM 1064 NZ LYS A 784 20.544 -17.290 -6.557 1.00 0.00 N ATOM 0 H LYS A 784 23.754 -13.464 -8.254 1.00 0.00 H new ATOM 0 HA LYS A 784 21.592 -11.697 -7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 784 22.675 -14.284 -6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 784 21.322 -13.433 -5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 784 20.516 -13.582 -8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 784 21.437 -15.065 -8.191 1.00 0.00 H new ATOM 0 HD2 LYS A 784 19.156 -14.185 -6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 784 19.052 -15.409 -7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 784 21.038 -15.634 -5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 784 19.385 -16.190 -5.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 21.108 -17.869 -5.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 19.679 -17.805 -6.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 21.101 -17.094 -7.413 1.00 0.00 H new