USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=14 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= 0.42 K(o=0.19,f=-7.7!) USER MOD Set 1.2: A 769 HIS : no HD1:sc= -0.234 K(o=0.19,f=-6.9!) USER MOD Set 2.1: A 737 MET CE :methyl -176:sc= -0.0294 (180deg=-0.0661) USER MOD Set 2.2: A 765 HIS : no HD1:sc= 0 K(o=-0.029,f=-1.5) USER MOD Single : A 728 HIS : no HD1:sc= -0.046 X(o=-0.046,f=0) USER MOD Single : A 732 MET CE :methyl -155:sc= -0.0439 (180deg=-0.314) USER MOD Single : A 739 SER OG : rot 170:sc= -0.264 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0781) USER MOD Single : A 742 MET CE :methyl 158:sc= -0.14 (180deg=-0.7) USER MOD Single : A 743 GLN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 749 SER OG : rot 180:sc= 0 USER MOD Single : A 751 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.35) USER MOD Single : A 752 SER OG : rot 180:sc= 0.00591 USER MOD Single : A 753 HIS : no HE2:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 760 GLN : amide:sc= -0.591 X(o=-0.59,f=-0.95) USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 781 THR OG1 : rot 180:sc= 0 USER MOD Single : A 783 SER OG : rot 141:sc= -2.62! USER MOD Single : A 784 LYS NZ :NH3+ -122:sc= 0.881 (180deg=-0.0486) USER MOD ----------------------------------------------------------------- ATOM 143 N HIS A 728 11.987 -12.135 -22.823 1.00 0.00 N ATOM 144 CA HIS A 728 13.002 -13.174 -22.738 1.00 0.00 C ATOM 145 C HIS A 728 13.908 -12.942 -21.537 1.00 0.00 C ATOM 146 O HIS A 728 14.117 -13.835 -20.718 1.00 0.00 O ATOM 147 CB HIS A 728 13.839 -13.193 -24.024 1.00 0.00 C ATOM 148 CG HIS A 728 14.755 -14.376 -24.146 1.00 0.00 C ATOM 149 ND1 HIS A 728 14.504 -15.457 -24.961 1.00 0.00 N ATOM 150 CD2 HIS A 728 15.950 -14.626 -23.551 1.00 0.00 C ATOM 151 CE1 HIS A 728 15.527 -16.311 -24.839 1.00 0.00 C ATOM 152 NE2 HIS A 728 16.434 -15.853 -23.994 1.00 0.00 N ATOM 0 HA HIS A 728 12.503 -14.136 -22.617 1.00 0.00 H new ATOM 0 HB2 HIS A 728 13.167 -13.179 -24.882 1.00 0.00 H new ATOM 0 HB3 HIS A 728 14.434 -12.281 -24.070 1.00 0.00 H new ATOM 0 HD2 HIS A 728 16.446 -13.976 -22.846 1.00 0.00 H new ATOM 0 HE1 HIS A 728 15.602 -17.252 -25.363 1.00 0.00 H new ATOM 0 HE2 HIS A 728 17.307 -16.305 -23.723 1.00 0.00 H new ATOM 160 N PHE A 729 14.418 -11.728 -21.424 1.00 0.00 N ATOM 161 CA PHE A 729 15.419 -11.418 -20.419 1.00 0.00 C ATOM 162 C PHE A 729 14.793 -11.252 -19.047 1.00 0.00 C ATOM 163 O PHE A 729 15.370 -11.662 -18.043 1.00 0.00 O ATOM 164 CB PHE A 729 16.202 -10.178 -20.832 1.00 0.00 C ATOM 165 CG PHE A 729 16.952 -10.405 -22.107 1.00 0.00 C ATOM 166 CD1 PHE A 729 18.040 -11.260 -22.129 1.00 0.00 C ATOM 167 CD2 PHE A 729 16.557 -9.793 -23.284 1.00 0.00 C ATOM 168 CE1 PHE A 729 18.723 -11.501 -23.301 1.00 0.00 C ATOM 169 CE2 PHE A 729 17.241 -10.028 -24.459 1.00 0.00 C ATOM 170 CZ PHE A 729 18.326 -10.884 -24.468 1.00 0.00 C ATOM 0 H PHE A 729 14.155 -10.940 -22.016 1.00 0.00 H new ATOM 0 HA PHE A 729 16.113 -12.256 -20.349 1.00 0.00 H new ATOM 0 HB2 PHE A 729 15.518 -9.338 -20.955 1.00 0.00 H new ATOM 0 HB3 PHE A 729 16.901 -9.907 -20.041 1.00 0.00 H new ATOM 0 HD1 PHE A 729 18.357 -11.744 -21.217 1.00 0.00 H new ATOM 0 HD2 PHE A 729 15.707 -9.127 -23.283 1.00 0.00 H new ATOM 0 HE1 PHE A 729 19.569 -12.173 -23.305 1.00 0.00 H new ATOM 0 HE2 PHE A 729 16.928 -9.543 -25.372 1.00 0.00 H new ATOM 0 HZ PHE A 729 18.862 -11.069 -25.387 1.00 0.00 H new ATOM 180 N ARG A 730 13.605 -10.669 -19.005 1.00 0.00 N ATOM 181 CA ARG A 730 12.871 -10.542 -17.757 1.00 0.00 C ATOM 182 C ARG A 730 12.599 -11.924 -17.174 1.00 0.00 C ATOM 183 O ARG A 730 12.728 -12.138 -15.968 1.00 0.00 O ATOM 184 CB ARG A 730 11.555 -9.794 -17.980 1.00 0.00 C ATOM 185 CG ARG A 730 10.924 -9.285 -16.692 1.00 0.00 C ATOM 186 CD ARG A 730 9.655 -8.491 -16.960 1.00 0.00 C ATOM 187 NE ARG A 730 8.566 -9.337 -17.447 1.00 0.00 N ATOM 188 CZ ARG A 730 7.398 -8.868 -17.895 1.00 0.00 C ATOM 189 NH1 ARG A 730 7.160 -7.563 -17.912 1.00 0.00 N ATOM 190 NH2 ARG A 730 6.456 -9.711 -18.304 1.00 0.00 N ATOM 0 H ARG A 730 13.130 -10.278 -19.818 1.00 0.00 H new ATOM 0 HA ARG A 730 13.475 -9.970 -17.053 1.00 0.00 H new ATOM 0 HB2 ARG A 730 11.734 -8.950 -18.647 1.00 0.00 H new ATOM 0 HB3 ARG A 730 10.851 -10.455 -18.484 1.00 0.00 H new ATOM 0 HG2 ARG A 730 10.694 -10.129 -16.042 1.00 0.00 H new ATOM 0 HG3 ARG A 730 11.639 -8.658 -16.160 1.00 0.00 H new ATOM 0 HD2 ARG A 730 9.342 -7.990 -16.044 1.00 0.00 H new ATOM 0 HD3 ARG A 730 9.864 -7.712 -17.694 1.00 0.00 H new ATOM 0 HE ARG A 730 8.707 -10.347 -17.444 1.00 0.00 H new ATOM 0 HH11 ARG A 730 7.871 -6.911 -17.582 1.00 0.00 H new ATOM 0 HH12 ARG A 730 6.266 -7.212 -18.255 1.00 0.00 H new ATOM 0 HH21 ARG A 730 6.624 -10.717 -18.276 1.00 0.00 H new ATOM 0 HH22 ARG A 730 5.564 -9.353 -18.646 1.00 0.00 H new ATOM 204 N ALA A 731 12.244 -12.864 -18.045 1.00 0.00 N ATOM 205 CA ALA A 731 11.995 -14.238 -17.633 1.00 0.00 C ATOM 206 C ALA A 731 13.279 -14.891 -17.126 1.00 0.00 C ATOM 207 O ALA A 731 13.285 -15.548 -16.085 1.00 0.00 O ATOM 208 CB ALA A 731 11.415 -15.041 -18.785 1.00 0.00 C ATOM 0 H ALA A 731 12.122 -12.696 -19.044 1.00 0.00 H new ATOM 0 HA ALA A 731 11.271 -14.224 -16.818 1.00 0.00 H new ATOM 0 HB1 ALA A 731 11.235 -16.066 -18.460 1.00 0.00 H new ATOM 0 HB2 ALA A 731 10.475 -14.591 -19.105 1.00 0.00 H new ATOM 0 HB3 ALA A 731 12.118 -15.043 -19.618 1.00 0.00 H new ATOM 214 N MET A 732 14.366 -14.701 -17.872 1.00 0.00 N ATOM 215 CA MET A 732 15.669 -15.233 -17.485 1.00 0.00 C ATOM 216 C MET A 732 16.088 -14.706 -16.117 1.00 0.00 C ATOM 217 O MET A 732 16.538 -15.464 -15.264 1.00 0.00 O ATOM 218 CB MET A 732 16.719 -14.865 -18.538 1.00 0.00 C ATOM 219 CG MET A 732 16.469 -15.519 -19.885 1.00 0.00 C ATOM 220 SD MET A 732 17.431 -17.026 -20.127 1.00 0.00 S ATOM 221 CE MET A 732 19.077 -16.341 -20.311 1.00 0.00 C ATOM 0 H MET A 732 14.369 -14.181 -18.750 1.00 0.00 H new ATOM 0 HA MET A 732 15.592 -16.318 -17.422 1.00 0.00 H new ATOM 0 HB2 MET A 732 16.734 -13.782 -18.664 1.00 0.00 H new ATOM 0 HB3 MET A 732 17.705 -15.158 -18.177 1.00 0.00 H new ATOM 0 HG2 MET A 732 15.408 -15.753 -19.978 1.00 0.00 H new ATOM 0 HG3 MET A 732 16.710 -14.810 -20.677 1.00 0.00 H new ATOM 0 HE1 MET A 732 19.695 -17.030 -20.887 1.00 0.00 H new ATOM 0 HE2 MET A 732 19.017 -15.385 -20.832 1.00 0.00 H new ATOM 0 HE3 MET A 732 19.521 -16.191 -19.327 1.00 0.00 H new ATOM 231 N ILE A 733 15.911 -13.407 -15.909 1.00 0.00 N ATOM 232 CA ILE A 733 16.319 -12.764 -14.666 1.00 0.00 C ATOM 233 C ILE A 733 15.425 -13.174 -13.493 1.00 0.00 C ATOM 234 O ILE A 733 15.922 -13.467 -12.402 1.00 0.00 O ATOM 235 CB ILE A 733 16.330 -11.226 -14.810 1.00 0.00 C ATOM 236 CG1 ILE A 733 17.412 -10.804 -15.811 1.00 0.00 C ATOM 237 CG2 ILE A 733 16.548 -10.544 -13.462 1.00 0.00 C ATOM 238 CD1 ILE A 733 17.457 -9.314 -16.070 1.00 0.00 C ATOM 0 H ILE A 733 15.486 -12.776 -16.588 1.00 0.00 H new ATOM 0 HA ILE A 733 17.333 -13.103 -14.453 1.00 0.00 H new ATOM 0 HB ILE A 733 15.356 -10.909 -15.184 1.00 0.00 H new ATOM 0 HG12 ILE A 733 18.384 -11.128 -15.439 1.00 0.00 H new ATOM 0 HG13 ILE A 733 17.243 -11.322 -16.755 1.00 0.00 H new ATOM 0 HG21 ILE A 733 16.551 -9.462 -13.598 1.00 0.00 H new ATOM 0 HG22 ILE A 733 15.745 -10.822 -12.779 1.00 0.00 H new ATOM 0 HG23 ILE A 733 17.504 -10.860 -13.045 1.00 0.00 H new ATOM 0 HD11 ILE A 733 18.247 -9.093 -16.788 1.00 0.00 H new ATOM 0 HD12 ILE A 733 16.499 -8.986 -16.472 1.00 0.00 H new ATOM 0 HD13 ILE A 733 17.658 -8.788 -15.136 1.00 0.00 H new ATOM 250 N VAL A 734 14.113 -13.215 -13.709 1.00 0.00 N ATOM 251 CA VAL A 734 13.187 -13.544 -12.627 1.00 0.00 C ATOM 252 C VAL A 734 13.370 -14.991 -12.165 1.00 0.00 C ATOM 253 O VAL A 734 13.258 -15.290 -10.971 1.00 0.00 O ATOM 254 CB VAL A 734 11.707 -13.286 -13.020 1.00 0.00 C ATOM 255 CG1 VAL A 734 11.225 -14.262 -14.084 1.00 0.00 C ATOM 256 CG2 VAL A 734 10.808 -13.335 -11.795 1.00 0.00 C ATOM 0 H VAL A 734 13.671 -13.028 -14.609 1.00 0.00 H new ATOM 0 HA VAL A 734 13.427 -12.879 -11.798 1.00 0.00 H new ATOM 0 HB VAL A 734 11.653 -12.285 -13.449 1.00 0.00 H new ATOM 0 HG11 VAL A 734 10.185 -14.047 -14.330 1.00 0.00 H new ATOM 0 HG12 VAL A 734 11.839 -14.158 -14.979 1.00 0.00 H new ATOM 0 HG13 VAL A 734 11.305 -15.281 -13.706 1.00 0.00 H new ATOM 0 HG21 VAL A 734 9.776 -13.152 -12.094 1.00 0.00 H new ATOM 0 HG22 VAL A 734 10.882 -14.317 -11.329 1.00 0.00 H new ATOM 0 HG23 VAL A 734 11.121 -12.571 -11.083 1.00 0.00 H new ATOM 266 N GLU A 735 13.676 -15.883 -13.106 1.00 0.00 N ATOM 267 CA GLU A 735 13.949 -17.275 -12.769 1.00 0.00 C ATOM 268 C GLU A 735 15.352 -17.417 -12.185 1.00 0.00 C ATOM 269 O GLU A 735 15.611 -18.308 -11.384 1.00 0.00 O ATOM 270 CB GLU A 735 13.781 -18.183 -13.994 1.00 0.00 C ATOM 271 CG GLU A 735 12.336 -18.324 -14.445 1.00 0.00 C ATOM 272 CD GLU A 735 12.172 -19.283 -15.609 1.00 0.00 C ATOM 273 OE1 GLU A 735 12.838 -20.342 -15.615 1.00 0.00 O ATOM 274 OE2 GLU A 735 11.342 -19.001 -16.503 1.00 0.00 O ATOM 0 H GLU A 735 13.740 -15.667 -14.101 1.00 0.00 H new ATOM 0 HA GLU A 735 13.225 -17.589 -12.017 1.00 0.00 H new ATOM 0 HB2 GLU A 735 14.374 -17.784 -14.817 1.00 0.00 H new ATOM 0 HB3 GLU A 735 14.180 -19.171 -13.763 1.00 0.00 H new ATOM 0 HG2 GLU A 735 11.731 -18.671 -13.607 1.00 0.00 H new ATOM 0 HG3 GLU A 735 11.953 -17.345 -14.731 1.00 0.00 H new ATOM 281 N PHE A 736 16.242 -16.514 -12.579 1.00 0.00 N ATOM 282 CA PHE A 736 17.608 -16.496 -12.075 1.00 0.00 C ATOM 283 C PHE A 736 17.644 -16.181 -10.579 1.00 0.00 C ATOM 284 O PHE A 736 18.406 -16.790 -9.826 1.00 0.00 O ATOM 285 CB PHE A 736 18.426 -15.470 -12.863 1.00 0.00 C ATOM 286 CG PHE A 736 19.758 -15.134 -12.265 1.00 0.00 C ATOM 287 CD1 PHE A 736 20.720 -16.110 -12.073 1.00 0.00 C ATOM 288 CD2 PHE A 736 20.047 -13.830 -11.899 1.00 0.00 C ATOM 289 CE1 PHE A 736 21.946 -15.791 -11.528 1.00 0.00 C ATOM 290 CE2 PHE A 736 21.272 -13.506 -11.356 1.00 0.00 C ATOM 291 CZ PHE A 736 22.221 -14.487 -11.171 1.00 0.00 C ATOM 0 H PHE A 736 16.038 -15.777 -13.254 1.00 0.00 H new ATOM 0 HA PHE A 736 18.044 -17.486 -12.209 1.00 0.00 H new ATOM 0 HB2 PHE A 736 18.582 -15.849 -13.873 1.00 0.00 H new ATOM 0 HB3 PHE A 736 17.843 -14.554 -12.954 1.00 0.00 H new ATOM 0 HD1 PHE A 736 20.509 -17.132 -12.353 1.00 0.00 H new ATOM 0 HD2 PHE A 736 19.305 -13.058 -12.041 1.00 0.00 H new ATOM 0 HE1 PHE A 736 22.689 -16.560 -11.381 1.00 0.00 H new ATOM 0 HE2 PHE A 736 21.487 -12.485 -11.076 1.00 0.00 H new ATOM 0 HZ PHE A 736 23.181 -14.235 -10.746 1.00 0.00 H new ATOM 301 N MET A 737 16.816 -15.237 -10.147 1.00 0.00 N ATOM 302 CA MET A 737 16.757 -14.879 -8.733 1.00 0.00 C ATOM 303 C MET A 737 16.273 -16.065 -7.900 1.00 0.00 C ATOM 304 O MET A 737 16.663 -16.231 -6.745 1.00 0.00 O ATOM 305 CB MET A 737 15.858 -13.656 -8.506 1.00 0.00 C ATOM 306 CG MET A 737 16.340 -12.398 -9.216 1.00 0.00 C ATOM 307 SD MET A 737 15.550 -10.890 -8.610 1.00 0.00 S ATOM 308 CE MET A 737 13.831 -11.207 -9.005 1.00 0.00 C ATOM 0 H MET A 737 16.182 -14.710 -10.747 1.00 0.00 H new ATOM 0 HA MET A 737 17.765 -14.617 -8.411 1.00 0.00 H new ATOM 0 HB2 MET A 737 14.849 -13.890 -8.846 1.00 0.00 H new ATOM 0 HB3 MET A 737 15.795 -13.457 -7.436 1.00 0.00 H new ATOM 0 HG2 MET A 737 17.419 -12.310 -9.092 1.00 0.00 H new ATOM 0 HG3 MET A 737 16.149 -12.496 -10.285 1.00 0.00 H new ATOM 0 HE1 MET A 737 13.232 -10.332 -8.753 1.00 0.00 H new ATOM 0 HE2 MET A 737 13.735 -11.418 -10.070 1.00 0.00 H new ATOM 0 HE3 MET A 737 13.478 -12.065 -8.432 1.00 0.00 H new ATOM 318 N ALA A 738 15.452 -16.909 -8.511 1.00 0.00 N ATOM 319 CA ALA A 738 14.926 -18.091 -7.843 1.00 0.00 C ATOM 320 C ALA A 738 15.757 -19.327 -8.178 1.00 0.00 C ATOM 321 O ALA A 738 15.387 -20.452 -7.843 1.00 0.00 O ATOM 322 CB ALA A 738 13.475 -18.304 -8.240 1.00 0.00 C ATOM 0 H ALA A 738 15.135 -16.795 -9.474 1.00 0.00 H new ATOM 0 HA ALA A 738 14.983 -17.933 -6.766 1.00 0.00 H new ATOM 0 HB1 ALA A 738 13.087 -19.190 -7.737 1.00 0.00 H new ATOM 0 HB2 ALA A 738 12.887 -17.434 -7.949 1.00 0.00 H new ATOM 0 HB3 ALA A 738 13.409 -18.441 -9.319 1.00 0.00 H new ATOM 328 N SER A 739 16.879 -19.111 -8.846 1.00 0.00 N ATOM 329 CA SER A 739 17.763 -20.198 -9.227 1.00 0.00 C ATOM 330 C SER A 739 18.850 -20.393 -8.173 1.00 0.00 C ATOM 331 O SER A 739 19.062 -19.527 -7.316 1.00 0.00 O ATOM 332 CB SER A 739 18.390 -19.913 -10.596 1.00 0.00 C ATOM 333 OG SER A 739 19.246 -20.965 -11.009 1.00 0.00 O ATOM 0 H SER A 739 17.199 -18.187 -9.136 1.00 0.00 H new ATOM 0 HA SER A 739 17.180 -21.116 -9.295 1.00 0.00 H new ATOM 0 HB2 SER A 739 17.602 -19.774 -11.336 1.00 0.00 H new ATOM 0 HB3 SER A 739 18.954 -18.981 -10.551 1.00 0.00 H new ATOM 0 HG SER A 739 19.501 -20.831 -11.946 1.00 0.00 H new ATOM 339 N LYS A 740 19.540 -21.526 -8.250 1.00 0.00 N ATOM 340 CA LYS A 740 20.593 -21.861 -7.302 1.00 0.00 C ATOM 341 C LYS A 740 21.915 -21.232 -7.735 1.00 0.00 C ATOM 342 O LYS A 740 22.936 -21.370 -7.059 1.00 0.00 O ATOM 343 CB LYS A 740 20.747 -23.383 -7.203 1.00 0.00 C ATOM 344 CG LYS A 740 19.449 -24.121 -6.893 1.00 0.00 C ATOM 345 CD LYS A 740 18.911 -23.788 -5.510 1.00 0.00 C ATOM 346 CE LYS A 740 19.828 -24.298 -4.410 1.00 0.00 C ATOM 347 NZ LYS A 740 19.240 -24.080 -3.064 1.00 0.00 N ATOM 0 H LYS A 740 19.385 -22.234 -8.968 1.00 0.00 H new ATOM 0 HA LYS A 740 20.320 -21.467 -6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 740 21.150 -23.759 -8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 740 21.478 -23.614 -6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 740 18.700 -23.865 -7.643 1.00 0.00 H new ATOM 0 HG3 LYS A 740 19.618 -25.195 -6.965 1.00 0.00 H new ATOM 0 HD2 LYS A 740 18.795 -22.708 -5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 740 17.920 -24.227 -5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 740 20.017 -25.361 -4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 740 20.791 -23.791 -4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 19.892 -24.440 -2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 19.082 -23.063 -2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 18.333 -24.585 -2.995 1.00 0.00 H new ATOM 361 N LYS A 741 21.884 -20.547 -8.872 1.00 0.00 N ATOM 362 CA LYS A 741 23.065 -19.877 -9.403 1.00 0.00 C ATOM 363 C LYS A 741 23.382 -18.625 -8.597 1.00 0.00 C ATOM 364 O LYS A 741 22.522 -18.098 -7.887 1.00 0.00 O ATOM 365 CB LYS A 741 22.845 -19.486 -10.866 1.00 0.00 C ATOM 366 CG LYS A 741 22.518 -20.652 -11.778 1.00 0.00 C ATOM 367 CD LYS A 741 22.229 -20.179 -13.194 1.00 0.00 C ATOM 368 CE LYS A 741 21.772 -21.322 -14.087 1.00 0.00 C ATOM 369 NZ LYS A 741 22.803 -22.387 -14.202 1.00 0.00 N ATOM 0 H LYS A 741 21.048 -20.441 -9.447 1.00 0.00 H new ATOM 0 HA LYS A 741 23.902 -20.571 -9.333 1.00 0.00 H new ATOM 0 HB2 LYS A 741 22.034 -18.760 -10.918 1.00 0.00 H new ATOM 0 HB3 LYS A 741 23.742 -18.990 -11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 741 23.352 -21.353 -11.789 1.00 0.00 H new ATOM 0 HG3 LYS A 741 21.654 -21.191 -11.388 1.00 0.00 H new ATOM 0 HD2 LYS A 741 21.460 -19.407 -13.170 1.00 0.00 H new ATOM 0 HD3 LYS A 741 23.125 -19.724 -13.616 1.00 0.00 H new ATOM 0 HE2 LYS A 741 20.853 -21.749 -13.686 1.00 0.00 H new ATOM 0 HE3 LYS A 741 21.538 -20.936 -15.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 741 22.502 -23.087 -14.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 741 23.707 -21.965 -14.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 741 22.922 -22.855 -13.281 1.00 0.00 H new ATOM 383 N MET A 742 24.614 -18.157 -8.705 1.00 0.00 N ATOM 384 CA MET A 742 25.013 -16.910 -8.070 1.00 0.00 C ATOM 385 C MET A 742 25.229 -15.830 -9.121 1.00 0.00 C ATOM 386 O MET A 742 25.045 -14.642 -8.851 1.00 0.00 O ATOM 387 CB MET A 742 26.285 -17.087 -7.226 1.00 0.00 C ATOM 388 CG MET A 742 26.067 -17.861 -5.931 1.00 0.00 C ATOM 389 SD MET A 742 25.746 -19.619 -6.189 1.00 0.00 S ATOM 390 CE MET A 742 27.306 -20.148 -6.892 1.00 0.00 C ATOM 0 H MET A 742 25.357 -18.622 -9.227 1.00 0.00 H new ATOM 0 HA MET A 742 24.208 -16.606 -7.401 1.00 0.00 H new ATOM 0 HB2 MET A 742 27.036 -17.603 -7.824 1.00 0.00 H new ATOM 0 HB3 MET A 742 26.689 -16.104 -6.986 1.00 0.00 H new ATOM 0 HG2 MET A 742 26.947 -17.749 -5.298 1.00 0.00 H new ATOM 0 HG3 MET A 742 25.228 -17.422 -5.391 1.00 0.00 H new ATOM 0 HE1 MET A 742 27.424 -21.222 -6.749 1.00 0.00 H new ATOM 0 HE2 MET A 742 27.321 -19.920 -7.958 1.00 0.00 H new ATOM 0 HE3 MET A 742 28.124 -19.624 -6.398 1.00 0.00 H new ATOM 400 N GLN A 743 25.608 -16.250 -10.322 1.00 0.00 N ATOM 401 CA GLN A 743 25.824 -15.320 -11.422 1.00 0.00 C ATOM 402 C GLN A 743 25.360 -15.918 -12.748 1.00 0.00 C ATOM 403 O GLN A 743 25.737 -17.031 -13.112 1.00 0.00 O ATOM 404 CB GLN A 743 27.299 -14.905 -11.504 1.00 0.00 C ATOM 405 CG GLN A 743 28.268 -16.070 -11.643 1.00 0.00 C ATOM 406 CD GLN A 743 29.724 -15.633 -11.647 1.00 0.00 C ATOM 407 OE1 GLN A 743 29.992 -14.442 -12.160 1.00 0.00 O flip ATOM 408 NE2 GLN A 743 30.602 -16.363 -11.192 1.00 0.00 N flip ATOM 0 H GLN A 743 25.772 -17.229 -10.558 1.00 0.00 H new ATOM 0 HA GLN A 743 25.227 -14.429 -11.227 1.00 0.00 H new ATOM 0 HB2 GLN A 743 27.430 -14.235 -12.354 1.00 0.00 H new ATOM 0 HB3 GLN A 743 27.556 -14.338 -10.609 1.00 0.00 H new ATOM 0 HG2 GLN A 743 28.106 -16.770 -10.823 1.00 0.00 H new ATOM 0 HG3 GLN A 743 28.053 -16.607 -12.567 1.00 0.00 H new ATOM 0 HE21 GLN A 743 30.358 -17.274 -10.805 1.00 0.00 H new ATOM 0 HE22 GLN A 743 31.575 -16.057 -11.202 1.00 0.00 H new ATOM 417 N LEU A 744 24.527 -15.170 -13.453 1.00 0.00 N ATOM 418 CA LEU A 744 24.011 -15.584 -14.740 1.00 0.00 C ATOM 419 C LEU A 744 24.848 -14.962 -15.839 1.00 0.00 C ATOM 420 O LEU A 744 24.781 -13.756 -16.084 1.00 0.00 O ATOM 421 CB LEU A 744 22.547 -15.163 -14.891 1.00 0.00 C ATOM 422 CG LEU A 744 21.859 -15.614 -16.182 1.00 0.00 C ATOM 423 CD1 LEU A 744 21.841 -17.133 -16.282 1.00 0.00 C ATOM 424 CD2 LEU A 744 20.445 -15.059 -16.250 1.00 0.00 C ATOM 0 H LEU A 744 24.191 -14.257 -13.145 1.00 0.00 H new ATOM 0 HA LEU A 744 24.064 -16.670 -14.813 1.00 0.00 H new ATOM 0 HB2 LEU A 744 21.985 -15.557 -14.044 1.00 0.00 H new ATOM 0 HB3 LEU A 744 22.492 -14.076 -14.832 1.00 0.00 H new ATOM 0 HG LEU A 744 22.427 -15.224 -17.027 1.00 0.00 H new ATOM 0 HD11 LEU A 744 21.347 -17.431 -17.207 1.00 0.00 H new ATOM 0 HD12 LEU A 744 22.864 -17.510 -16.279 1.00 0.00 H new ATOM 0 HD13 LEU A 744 21.299 -17.547 -15.432 1.00 0.00 H new ATOM 0 HD21 LEU A 744 19.969 -15.388 -17.174 1.00 0.00 H new ATOM 0 HD22 LEU A 744 19.871 -15.420 -15.397 1.00 0.00 H new ATOM 0 HD23 LEU A 744 20.480 -13.970 -16.228 1.00 0.00 H new ATOM 436 N GLU A 745 25.662 -15.787 -16.459 1.00 0.00 N ATOM 437 CA GLU A 745 26.532 -15.346 -17.533 1.00 0.00 C ATOM 438 C GLU A 745 25.828 -15.505 -18.876 1.00 0.00 C ATOM 439 O GLU A 745 25.643 -16.620 -19.373 1.00 0.00 O ATOM 440 CB GLU A 745 27.839 -16.142 -17.487 1.00 0.00 C ATOM 441 CG GLU A 745 28.544 -16.035 -16.141 1.00 0.00 C ATOM 442 CD GLU A 745 29.784 -16.897 -16.047 1.00 0.00 C ATOM 443 OE1 GLU A 745 29.660 -18.091 -15.706 1.00 0.00 O ATOM 444 OE2 GLU A 745 30.891 -16.382 -16.299 1.00 0.00 O ATOM 0 H GLU A 745 25.742 -16.779 -16.236 1.00 0.00 H new ATOM 0 HA GLU A 745 26.768 -14.289 -17.407 1.00 0.00 H new ATOM 0 HB2 GLU A 745 27.629 -17.190 -17.701 1.00 0.00 H new ATOM 0 HB3 GLU A 745 28.506 -15.784 -18.271 1.00 0.00 H new ATOM 0 HG2 GLU A 745 28.818 -14.995 -15.963 1.00 0.00 H new ATOM 0 HG3 GLU A 745 27.850 -16.321 -15.351 1.00 0.00 H new ATOM 451 N PHE A 746 25.407 -14.382 -19.443 1.00 0.00 N ATOM 452 CA PHE A 746 24.669 -14.384 -20.700 1.00 0.00 C ATOM 453 C PHE A 746 25.594 -14.656 -21.882 1.00 0.00 C ATOM 454 O PHE A 746 26.799 -14.443 -21.793 1.00 0.00 O ATOM 455 CB PHE A 746 23.963 -13.043 -20.908 1.00 0.00 C ATOM 456 CG PHE A 746 22.772 -12.825 -20.020 1.00 0.00 C ATOM 457 CD1 PHE A 746 22.916 -12.257 -18.766 1.00 0.00 C ATOM 458 CD2 PHE A 746 21.500 -13.175 -20.450 1.00 0.00 C ATOM 459 CE1 PHE A 746 21.816 -12.041 -17.957 1.00 0.00 C ATOM 460 CE2 PHE A 746 20.398 -12.966 -19.644 1.00 0.00 C ATOM 461 CZ PHE A 746 20.556 -12.396 -18.396 1.00 0.00 C ATOM 0 H PHE A 746 25.565 -13.454 -19.050 1.00 0.00 H new ATOM 0 HA PHE A 746 23.927 -15.181 -20.645 1.00 0.00 H new ATOM 0 HB2 PHE A 746 24.679 -12.239 -20.739 1.00 0.00 H new ATOM 0 HB3 PHE A 746 23.644 -12.972 -21.948 1.00 0.00 H new ATOM 0 HD1 PHE A 746 23.899 -11.979 -18.416 1.00 0.00 H new ATOM 0 HD2 PHE A 746 21.370 -13.616 -21.427 1.00 0.00 H new ATOM 0 HE1 PHE A 746 21.942 -11.595 -16.982 1.00 0.00 H new ATOM 0 HE2 PHE A 746 19.414 -13.248 -19.989 1.00 0.00 H new ATOM 0 HZ PHE A 746 19.696 -12.228 -17.765 1.00 0.00 H new ATOM 471 N PRO A 747 25.041 -15.146 -23.004 1.00 0.00 N ATOM 472 CA PRO A 747 25.805 -15.350 -24.238 1.00 0.00 C ATOM 473 C PRO A 747 26.238 -14.022 -24.874 1.00 0.00 C ATOM 474 O PRO A 747 25.681 -12.962 -24.570 1.00 0.00 O ATOM 475 CB PRO A 747 24.820 -16.092 -25.160 1.00 0.00 C ATOM 476 CG PRO A 747 23.728 -16.576 -24.264 1.00 0.00 C ATOM 477 CD PRO A 747 23.644 -15.575 -23.152 1.00 0.00 C ATOM 0 HA PRO A 747 26.729 -15.899 -24.058 1.00 0.00 H new ATOM 0 HB2 PRO A 747 24.430 -15.430 -25.933 1.00 0.00 H new ATOM 0 HB3 PRO A 747 25.308 -16.923 -25.669 1.00 0.00 H new ATOM 0 HG2 PRO A 747 22.782 -16.645 -24.801 1.00 0.00 H new ATOM 0 HG3 PRO A 747 23.949 -17.571 -23.879 1.00 0.00 H new ATOM 0 HD2 PRO A 747 22.988 -14.742 -23.405 1.00 0.00 H new ATOM 0 HD3 PRO A 747 23.256 -16.019 -22.235 1.00 0.00 H new ATOM 485 N PRO A 748 27.236 -14.058 -25.773 1.00 0.00 N ATOM 486 CA PRO A 748 27.716 -12.859 -26.465 1.00 0.00 C ATOM 487 C PRO A 748 26.763 -12.427 -27.574 1.00 0.00 C ATOM 488 O PRO A 748 26.901 -11.347 -28.148 1.00 0.00 O ATOM 489 CB PRO A 748 29.061 -13.281 -27.068 1.00 0.00 C ATOM 490 CG PRO A 748 29.298 -14.699 -26.645 1.00 0.00 C ATOM 491 CD PRO A 748 27.984 -15.255 -26.176 1.00 0.00 C ATOM 0 HA PRO A 748 27.795 -12.010 -25.786 1.00 0.00 H new ATOM 0 HB2 PRO A 748 29.040 -13.200 -28.155 1.00 0.00 H new ATOM 0 HB3 PRO A 748 29.863 -12.633 -26.715 1.00 0.00 H new ATOM 0 HG2 PRO A 748 29.689 -15.287 -27.476 1.00 0.00 H new ATOM 0 HG3 PRO A 748 30.040 -14.742 -25.847 1.00 0.00 H new ATOM 0 HD2 PRO A 748 27.472 -15.801 -26.968 1.00 0.00 H new ATOM 0 HD3 PRO A 748 28.114 -15.947 -25.344 1.00 0.00 H new ATOM 499 N SER A 749 25.796 -13.291 -27.862 1.00 0.00 N ATOM 500 CA SER A 749 24.809 -13.044 -28.909 1.00 0.00 C ATOM 501 C SER A 749 23.935 -11.830 -28.579 1.00 0.00 C ATOM 502 O SER A 749 23.326 -11.237 -29.470 1.00 0.00 O ATOM 503 CB SER A 749 23.930 -14.286 -29.094 1.00 0.00 C ATOM 504 OG SER A 749 23.090 -14.164 -30.229 1.00 0.00 O ATOM 0 H SER A 749 25.673 -14.181 -27.378 1.00 0.00 H new ATOM 0 HA SER A 749 25.343 -12.831 -29.835 1.00 0.00 H new ATOM 0 HB2 SER A 749 24.562 -15.168 -29.201 1.00 0.00 H new ATOM 0 HB3 SER A 749 23.320 -14.437 -28.203 1.00 0.00 H new ATOM 0 HG SER A 749 22.544 -14.972 -30.320 1.00 0.00 H new ATOM 510 N LEU A 750 23.868 -11.473 -27.299 1.00 0.00 N ATOM 511 CA LEU A 750 23.093 -10.315 -26.862 1.00 0.00 C ATOM 512 C LEU A 750 23.629 -9.037 -27.495 1.00 0.00 C ATOM 513 O LEU A 750 24.800 -8.696 -27.319 1.00 0.00 O ATOM 514 CB LEU A 750 23.139 -10.175 -25.336 1.00 0.00 C ATOM 515 CG LEU A 750 22.150 -11.043 -24.555 1.00 0.00 C ATOM 516 CD1 LEU A 750 22.445 -12.523 -24.738 1.00 0.00 C ATOM 517 CD2 LEU A 750 22.180 -10.669 -23.082 1.00 0.00 C ATOM 0 H LEU A 750 24.342 -11.970 -26.545 1.00 0.00 H new ATOM 0 HA LEU A 750 22.062 -10.470 -27.179 1.00 0.00 H new ATOM 0 HB2 LEU A 750 24.148 -10.414 -24.999 1.00 0.00 H new ATOM 0 HB3 LEU A 750 22.957 -9.131 -25.081 1.00 0.00 H new ATOM 0 HG LEU A 750 21.151 -10.857 -24.948 1.00 0.00 H new ATOM 0 HD11 LEU A 750 21.724 -13.111 -24.170 1.00 0.00 H new ATOM 0 HD12 LEU A 750 22.371 -12.781 -25.795 1.00 0.00 H new ATOM 0 HD13 LEU A 750 23.452 -12.740 -24.381 1.00 0.00 H new ATOM 0 HD21 LEU A 750 21.473 -11.292 -22.534 1.00 0.00 H new ATOM 0 HD22 LEU A 750 23.184 -10.826 -22.687 1.00 0.00 H new ATOM 0 HD23 LEU A 750 21.905 -9.621 -22.967 1.00 0.00 H new ATOM 529 N ASN A 751 22.778 -8.338 -28.233 1.00 0.00 N ATOM 530 CA ASN A 751 23.173 -7.073 -28.843 1.00 0.00 C ATOM 531 C ASN A 751 22.861 -5.914 -27.902 1.00 0.00 C ATOM 532 O ASN A 751 22.404 -6.133 -26.780 1.00 0.00 O ATOM 533 CB ASN A 751 22.506 -6.871 -30.214 1.00 0.00 C ATOM 534 CG ASN A 751 20.993 -6.986 -30.184 1.00 0.00 C ATOM 535 OD1 ASN A 751 20.443 -8.076 -30.324 1.00 0.00 O ATOM 536 ND2 ASN A 751 20.306 -5.864 -30.055 1.00 0.00 N ATOM 0 H ASN A 751 21.817 -8.621 -28.424 1.00 0.00 H new ATOM 0 HA ASN A 751 24.249 -7.102 -29.013 1.00 0.00 H new ATOM 0 HB2 ASN A 751 22.778 -5.888 -30.598 1.00 0.00 H new ATOM 0 HB3 ASN A 751 22.903 -7.608 -30.912 1.00 0.00 H new ATOM 0 HD21 ASN A 751 19.286 -5.886 -30.070 1.00 0.00 H new ATOM 0 HD22 ASN A 751 20.796 -4.977 -29.940 1.00 0.00 H new ATOM 543 N SER A 752 23.109 -4.691 -28.364 1.00 0.00 N ATOM 544 CA SER A 752 22.994 -3.493 -27.531 1.00 0.00 C ATOM 545 C SER A 752 21.660 -3.425 -26.781 1.00 0.00 C ATOM 546 O SER A 752 21.638 -3.210 -25.567 1.00 0.00 O ATOM 547 CB SER A 752 23.179 -2.257 -28.404 1.00 0.00 C ATOM 548 OG SER A 752 24.365 -2.367 -29.174 1.00 0.00 O ATOM 0 H SER A 752 23.395 -4.501 -29.324 1.00 0.00 H new ATOM 0 HA SER A 752 23.775 -3.536 -26.772 1.00 0.00 H new ATOM 0 HB2 SER A 752 22.320 -2.138 -29.064 1.00 0.00 H new ATOM 0 HB3 SER A 752 23.226 -1.366 -27.778 1.00 0.00 H new ATOM 0 HG SER A 752 24.469 -1.567 -29.730 1.00 0.00 H new ATOM 554 N HIS A 753 20.559 -3.615 -27.507 1.00 0.00 N ATOM 555 CA HIS A 753 19.226 -3.632 -26.905 1.00 0.00 C ATOM 556 C HIS A 753 19.155 -4.643 -25.762 1.00 0.00 C ATOM 557 O HIS A 753 18.686 -4.325 -24.669 1.00 0.00 O ATOM 558 CB HIS A 753 18.175 -3.972 -27.969 1.00 0.00 C ATOM 559 CG HIS A 753 16.794 -4.192 -27.423 1.00 0.00 C ATOM 560 ND1 HIS A 753 16.223 -5.437 -27.261 1.00 0.00 N ATOM 561 CD2 HIS A 753 15.864 -3.296 -27.003 1.00 0.00 C ATOM 562 CE1 HIS A 753 14.993 -5.263 -26.766 1.00 0.00 C ATOM 563 NE2 HIS A 753 14.725 -3.982 -26.590 1.00 0.00 N ATOM 0 H HIS A 753 20.564 -3.760 -28.517 1.00 0.00 H new ATOM 0 HA HIS A 753 19.022 -2.641 -26.499 1.00 0.00 H new ATOM 0 HB2 HIS A 753 18.140 -3.164 -28.700 1.00 0.00 H new ATOM 0 HB3 HIS A 753 18.490 -4.870 -28.501 1.00 0.00 H new ATOM 0 HD1 HIS A 753 16.661 -6.332 -27.480 1.00 0.00 H new ATOM 0 HD2 HIS A 753 15.988 -2.223 -26.991 1.00 0.00 H new ATOM 0 HE1 HIS A 753 14.307 -6.066 -26.539 1.00 0.00 H new ATOM 571 N ASP A 754 19.645 -5.848 -26.024 1.00 0.00 N ATOM 572 CA ASP A 754 19.584 -6.933 -25.053 1.00 0.00 C ATOM 573 C ASP A 754 20.381 -6.583 -23.809 1.00 0.00 C ATOM 574 O ASP A 754 19.915 -6.785 -22.689 1.00 0.00 O ATOM 575 CB ASP A 754 20.121 -8.229 -25.655 1.00 0.00 C ATOM 576 CG ASP A 754 19.393 -8.638 -26.918 1.00 0.00 C ATOM 577 OD1 ASP A 754 18.189 -8.329 -27.050 1.00 0.00 O ATOM 578 OD2 ASP A 754 20.025 -9.269 -27.788 1.00 0.00 O ATOM 0 H ASP A 754 20.091 -6.099 -26.906 1.00 0.00 H new ATOM 0 HA ASP A 754 18.539 -7.076 -24.778 1.00 0.00 H new ATOM 0 HB2 ASP A 754 21.182 -8.109 -25.876 1.00 0.00 H new ATOM 0 HB3 ASP A 754 20.037 -9.028 -24.918 1.00 0.00 H new ATOM 583 N ARG A 755 21.587 -6.057 -24.020 1.00 0.00 N ATOM 584 CA ARG A 755 22.433 -5.598 -22.925 1.00 0.00 C ATOM 585 C ARG A 755 21.659 -4.627 -22.047 1.00 0.00 C ATOM 586 O ARG A 755 21.440 -4.876 -20.864 1.00 0.00 O ATOM 587 CB ARG A 755 23.667 -4.880 -23.460 1.00 0.00 C ATOM 588 CG ARG A 755 24.470 -5.666 -24.475 1.00 0.00 C ATOM 589 CD ARG A 755 25.159 -6.872 -23.869 1.00 0.00 C ATOM 590 NE ARG A 755 26.290 -7.286 -24.692 1.00 0.00 N ATOM 591 CZ ARG A 755 26.790 -8.516 -24.738 1.00 0.00 C ATOM 592 NH1 ARG A 755 26.227 -9.502 -24.046 1.00 0.00 N ATOM 593 NH2 ARG A 755 27.854 -8.752 -25.491 1.00 0.00 N ATOM 0 H ARG A 755 22.000 -5.939 -24.945 1.00 0.00 H new ATOM 0 HA ARG A 755 22.740 -6.471 -22.349 1.00 0.00 H new ATOM 0 HB2 ARG A 755 23.354 -3.940 -23.915 1.00 0.00 H new ATOM 0 HB3 ARG A 755 24.316 -4.628 -22.621 1.00 0.00 H new ATOM 0 HG2 ARG A 755 23.810 -5.995 -25.278 1.00 0.00 H new ATOM 0 HG3 ARG A 755 25.218 -5.013 -24.925 1.00 0.00 H new ATOM 0 HD2 ARG A 755 25.503 -6.633 -22.863 1.00 0.00 H new ATOM 0 HD3 ARG A 755 24.450 -7.694 -23.777 1.00 0.00 H new ATOM 0 HE ARG A 755 26.731 -6.576 -25.277 1.00 0.00 H new ATOM 0 HH11 ARG A 755 25.404 -9.317 -23.473 1.00 0.00 H new ATOM 0 HH12 ARG A 755 26.619 -10.443 -24.088 1.00 0.00 H new ATOM 0 HH21 ARG A 755 28.279 -7.994 -26.026 1.00 0.00 H new ATOM 0 HH22 ARG A 755 28.249 -9.691 -25.536 1.00 0.00 H new ATOM 607 N LEU A 756 21.235 -3.532 -22.671 1.00 0.00 N ATOM 608 CA LEU A 756 20.526 -2.451 -22.001 1.00 0.00 C ATOM 609 C LEU A 756 19.324 -2.977 -21.221 1.00 0.00 C ATOM 610 O LEU A 756 19.104 -2.590 -20.071 1.00 0.00 O ATOM 611 CB LEU A 756 20.110 -1.415 -23.060 1.00 0.00 C ATOM 612 CG LEU A 756 19.289 -0.211 -22.589 1.00 0.00 C ATOM 613 CD1 LEU A 756 17.810 -0.557 -22.518 1.00 0.00 C ATOM 614 CD2 LEU A 756 19.795 0.310 -21.250 1.00 0.00 C ATOM 0 H LEU A 756 21.377 -3.370 -23.668 1.00 0.00 H new ATOM 0 HA LEU A 756 21.181 -1.976 -21.270 1.00 0.00 H new ATOM 0 HB2 LEU A 756 21.016 -1.039 -23.536 1.00 0.00 H new ATOM 0 HB3 LEU A 756 19.537 -1.932 -23.829 1.00 0.00 H new ATOM 0 HG LEU A 756 19.413 0.586 -23.322 1.00 0.00 H new ATOM 0 HD11 LEU A 756 17.248 0.314 -22.181 1.00 0.00 H new ATOM 0 HD12 LEU A 756 17.458 -0.856 -23.506 1.00 0.00 H new ATOM 0 HD13 LEU A 756 17.662 -1.378 -21.816 1.00 0.00 H new ATOM 0 HD21 LEU A 756 19.193 1.165 -20.941 1.00 0.00 H new ATOM 0 HD22 LEU A 756 19.718 -0.478 -20.501 1.00 0.00 H new ATOM 0 HD23 LEU A 756 20.836 0.617 -21.349 1.00 0.00 H new ATOM 626 N ARG A 757 18.558 -3.858 -21.847 1.00 0.00 N ATOM 627 CA ARG A 757 17.402 -4.461 -21.199 1.00 0.00 C ATOM 628 C ARG A 757 17.799 -5.134 -19.890 1.00 0.00 C ATOM 629 O ARG A 757 17.171 -4.911 -18.854 1.00 0.00 O ATOM 630 CB ARG A 757 16.738 -5.484 -22.116 1.00 0.00 C ATOM 631 CG ARG A 757 15.924 -4.866 -23.239 1.00 0.00 C ATOM 632 CD ARG A 757 14.771 -4.036 -22.698 1.00 0.00 C ATOM 633 NE ARG A 757 13.643 -4.018 -23.625 1.00 0.00 N ATOM 634 CZ ARG A 757 12.709 -4.965 -23.659 1.00 0.00 C ATOM 635 NH1 ARG A 757 12.755 -5.962 -22.787 1.00 0.00 N ATOM 636 NH2 ARG A 757 11.731 -4.907 -24.553 1.00 0.00 N ATOM 0 H ARG A 757 18.716 -4.172 -22.805 1.00 0.00 H new ATOM 0 HA ARG A 757 16.693 -3.662 -20.984 1.00 0.00 H new ATOM 0 HB2 ARG A 757 17.508 -6.124 -22.548 1.00 0.00 H new ATOM 0 HB3 ARG A 757 16.088 -6.125 -21.520 1.00 0.00 H new ATOM 0 HG2 ARG A 757 16.568 -4.238 -23.854 1.00 0.00 H new ATOM 0 HG3 ARG A 757 15.536 -5.654 -23.885 1.00 0.00 H new ATOM 0 HD2 ARG A 757 14.448 -4.441 -21.739 1.00 0.00 H new ATOM 0 HD3 ARG A 757 15.110 -3.016 -22.516 1.00 0.00 H new ATOM 0 HE ARG A 757 13.567 -3.240 -24.280 1.00 0.00 H new ATOM 0 HH11 ARG A 757 13.503 -6.000 -22.095 1.00 0.00 H new ATOM 0 HH12 ARG A 757 12.042 -6.691 -22.808 1.00 0.00 H new ATOM 0 HH21 ARG A 757 11.693 -4.134 -25.218 1.00 0.00 H new ATOM 0 HH22 ARG A 757 11.017 -5.635 -24.576 1.00 0.00 H new ATOM 650 N VAL A 758 18.846 -5.946 -19.945 1.00 0.00 N ATOM 651 CA VAL A 758 19.329 -6.653 -18.769 1.00 0.00 C ATOM 652 C VAL A 758 19.804 -5.668 -17.703 1.00 0.00 C ATOM 653 O VAL A 758 19.461 -5.808 -16.527 1.00 0.00 O ATOM 654 CB VAL A 758 20.473 -7.630 -19.123 1.00 0.00 C ATOM 655 CG1 VAL A 758 20.965 -8.358 -17.883 1.00 0.00 C ATOM 656 CG2 VAL A 758 20.022 -8.625 -20.181 1.00 0.00 C ATOM 0 H VAL A 758 19.378 -6.131 -20.795 1.00 0.00 H new ATOM 0 HA VAL A 758 18.494 -7.232 -18.375 1.00 0.00 H new ATOM 0 HB VAL A 758 21.301 -7.048 -19.528 1.00 0.00 H new ATOM 0 HG11 VAL A 758 21.770 -9.040 -18.157 1.00 0.00 H new ATOM 0 HG12 VAL A 758 21.335 -7.633 -17.158 1.00 0.00 H new ATOM 0 HG13 VAL A 758 20.144 -8.924 -17.444 1.00 0.00 H new ATOM 0 HG21 VAL A 758 20.842 -9.303 -20.416 1.00 0.00 H new ATOM 0 HG22 VAL A 758 19.174 -9.197 -19.804 1.00 0.00 H new ATOM 0 HG23 VAL A 758 19.726 -8.088 -21.082 1.00 0.00 H new ATOM 666 N HIS A 759 20.572 -4.661 -18.126 1.00 0.00 N ATOM 667 CA HIS A 759 21.084 -3.646 -17.207 1.00 0.00 C ATOM 668 C HIS A 759 19.944 -2.983 -16.442 1.00 0.00 C ATOM 669 O HIS A 759 19.951 -2.964 -15.213 1.00 0.00 O ATOM 670 CB HIS A 759 21.896 -2.571 -17.945 1.00 0.00 C ATOM 671 CG HIS A 759 23.191 -3.061 -18.522 1.00 0.00 C ATOM 672 ND1 HIS A 759 24.218 -3.498 -17.722 1.00 0.00 N ATOM 673 CD2 HIS A 759 23.571 -3.158 -19.814 1.00 0.00 C ATOM 674 CE1 HIS A 759 25.190 -3.850 -18.536 1.00 0.00 C ATOM 675 NE2 HIS A 759 24.849 -3.659 -19.820 1.00 0.00 N ATOM 0 H HIS A 759 20.852 -4.528 -19.098 1.00 0.00 H new ATOM 0 HA HIS A 759 21.743 -4.156 -16.504 1.00 0.00 H new ATOM 0 HB2 HIS A 759 21.286 -2.160 -18.750 1.00 0.00 H new ATOM 0 HB3 HIS A 759 22.106 -1.754 -17.255 1.00 0.00 H new ATOM 0 HD1 HIS A 759 24.226 -3.541 -16.703 1.00 0.00 H new ATOM 0 HD2 HIS A 759 22.981 -2.892 -20.679 1.00 0.00 H new ATOM 0 HE1 HIS A 759 26.142 -4.243 -18.212 1.00 0.00 H new ATOM 683 N GLN A 760 18.964 -2.457 -17.175 1.00 0.00 N ATOM 684 CA GLN A 760 17.821 -1.780 -16.568 1.00 0.00 C ATOM 685 C GLN A 760 17.122 -2.669 -15.548 1.00 0.00 C ATOM 686 O GLN A 760 16.914 -2.266 -14.402 1.00 0.00 O ATOM 687 CB GLN A 760 16.816 -1.358 -17.638 1.00 0.00 C ATOM 688 CG GLN A 760 17.327 -0.276 -18.570 1.00 0.00 C ATOM 689 CD GLN A 760 16.308 0.117 -19.622 1.00 0.00 C ATOM 690 OE1 GLN A 760 15.470 -0.693 -20.028 1.00 0.00 O ATOM 691 NE2 GLN A 760 16.378 1.359 -20.078 1.00 0.00 N ATOM 0 H GLN A 760 18.940 -2.487 -18.194 1.00 0.00 H new ATOM 0 HA GLN A 760 18.204 -0.897 -16.057 1.00 0.00 H new ATOM 0 HB2 GLN A 760 16.541 -2.232 -18.228 1.00 0.00 H new ATOM 0 HB3 GLN A 760 15.908 -1.004 -17.150 1.00 0.00 H new ATOM 0 HG2 GLN A 760 17.598 0.603 -17.986 1.00 0.00 H new ATOM 0 HG3 GLN A 760 18.235 -0.624 -19.062 1.00 0.00 H new ATOM 0 HE21 GLN A 760 17.087 1.996 -19.715 1.00 0.00 H new ATOM 0 HE22 GLN A 760 15.723 1.678 -20.792 1.00 0.00 H new ATOM 700 N ILE A 761 16.777 -3.884 -15.964 1.00 0.00 N ATOM 701 CA ILE A 761 16.039 -4.799 -15.107 1.00 0.00 C ATOM 702 C ILE A 761 16.845 -5.162 -13.862 1.00 0.00 C ATOM 703 O ILE A 761 16.355 -5.041 -12.743 1.00 0.00 O ATOM 704 CB ILE A 761 15.632 -6.084 -15.863 1.00 0.00 C ATOM 705 CG1 ILE A 761 14.711 -5.729 -17.029 1.00 0.00 C ATOM 706 CG2 ILE A 761 14.943 -7.070 -14.927 1.00 0.00 C ATOM 707 CD1 ILE A 761 14.432 -6.888 -17.965 1.00 0.00 C ATOM 0 H ILE A 761 16.997 -4.255 -16.888 1.00 0.00 H new ATOM 0 HA ILE A 761 15.131 -4.281 -14.798 1.00 0.00 H new ATOM 0 HB ILE A 761 16.533 -6.559 -16.250 1.00 0.00 H new ATOM 0 HG12 ILE A 761 13.765 -5.359 -16.633 1.00 0.00 H new ATOM 0 HG13 ILE A 761 15.159 -4.914 -17.598 1.00 0.00 H new ATOM 0 HG21 ILE A 761 14.666 -7.966 -15.482 1.00 0.00 H new ATOM 0 HG22 ILE A 761 15.622 -7.340 -14.118 1.00 0.00 H new ATOM 0 HG23 ILE A 761 14.047 -6.610 -14.510 1.00 0.00 H new ATOM 0 HD11 ILE A 761 13.771 -6.557 -18.766 1.00 0.00 H new ATOM 0 HD12 ILE A 761 15.369 -7.245 -18.391 1.00 0.00 H new ATOM 0 HD13 ILE A 761 13.954 -7.696 -17.411 1.00 0.00 H new ATOM 719 N ALA A 762 18.093 -5.575 -14.055 1.00 0.00 N ATOM 720 CA ALA A 762 18.940 -5.987 -12.941 1.00 0.00 C ATOM 721 C ALA A 762 19.214 -4.821 -11.997 1.00 0.00 C ATOM 722 O ALA A 762 19.226 -4.986 -10.777 1.00 0.00 O ATOM 723 CB ALA A 762 20.247 -6.575 -13.456 1.00 0.00 C ATOM 0 H ALA A 762 18.540 -5.633 -14.970 1.00 0.00 H new ATOM 0 HA ALA A 762 18.408 -6.755 -12.380 1.00 0.00 H new ATOM 0 HB1 ALA A 762 20.867 -6.877 -12.612 1.00 0.00 H new ATOM 0 HB2 ALA A 762 20.035 -7.443 -14.080 1.00 0.00 H new ATOM 0 HB3 ALA A 762 20.776 -5.826 -14.045 1.00 0.00 H new ATOM 729 N GLU A 763 19.412 -3.642 -12.570 1.00 0.00 N ATOM 730 CA GLU A 763 19.709 -2.449 -11.792 1.00 0.00 C ATOM 731 C GLU A 763 18.519 -2.050 -10.926 1.00 0.00 C ATOM 732 O GLU A 763 18.688 -1.576 -9.803 1.00 0.00 O ATOM 733 CB GLU A 763 20.095 -1.298 -12.725 1.00 0.00 C ATOM 734 CG GLU A 763 20.552 -0.038 -12.012 1.00 0.00 C ATOM 735 CD GLU A 763 21.070 1.001 -12.978 1.00 0.00 C ATOM 736 OE1 GLU A 763 20.251 1.674 -13.640 1.00 0.00 O ATOM 737 OE2 GLU A 763 22.308 1.143 -13.096 1.00 0.00 O ATOM 0 H GLU A 763 19.372 -3.487 -13.577 1.00 0.00 H new ATOM 0 HA GLU A 763 20.548 -2.671 -11.132 1.00 0.00 H new ATOM 0 HB2 GLU A 763 20.892 -1.635 -13.387 1.00 0.00 H new ATOM 0 HB3 GLU A 763 19.239 -1.054 -13.355 1.00 0.00 H new ATOM 0 HG2 GLU A 763 19.721 0.378 -11.443 1.00 0.00 H new ATOM 0 HG3 GLU A 763 21.334 -0.290 -11.296 1.00 0.00 H new ATOM 744 N GLU A 764 17.317 -2.245 -11.443 1.00 0.00 N ATOM 745 CA GLU A 764 16.119 -1.871 -10.710 1.00 0.00 C ATOM 746 C GLU A 764 15.693 -2.985 -9.755 1.00 0.00 C ATOM 747 O GLU A 764 15.105 -2.724 -8.706 1.00 0.00 O ATOM 748 CB GLU A 764 14.992 -1.521 -11.676 1.00 0.00 C ATOM 749 CG GLU A 764 13.842 -0.782 -11.019 1.00 0.00 C ATOM 750 CD GLU A 764 12.889 -0.195 -12.032 1.00 0.00 C ATOM 751 OE1 GLU A 764 13.192 0.889 -12.571 1.00 0.00 O ATOM 752 OE2 GLU A 764 11.837 -0.811 -12.292 1.00 0.00 O ATOM 0 H GLU A 764 17.145 -2.657 -12.360 1.00 0.00 H new ATOM 0 HA GLU A 764 16.345 -0.988 -10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 764 15.393 -0.909 -12.484 1.00 0.00 H new ATOM 0 HB3 GLU A 764 14.614 -2.438 -12.128 1.00 0.00 H new ATOM 0 HG2 GLU A 764 13.299 -1.465 -10.365 1.00 0.00 H new ATOM 0 HG3 GLU A 764 14.237 0.015 -10.389 1.00 0.00 H new ATOM 759 N HIS A 765 15.998 -4.227 -10.117 1.00 0.00 N ATOM 760 CA HIS A 765 15.743 -5.368 -9.236 1.00 0.00 C ATOM 761 C HIS A 765 16.688 -5.343 -8.038 1.00 0.00 C ATOM 762 O HIS A 765 16.387 -5.904 -6.986 1.00 0.00 O ATOM 763 CB HIS A 765 15.897 -6.688 -9.996 1.00 0.00 C ATOM 764 CG HIS A 765 14.667 -7.096 -10.753 1.00 0.00 C ATOM 765 ND1 HIS A 765 14.182 -8.384 -10.790 1.00 0.00 N ATOM 766 CD2 HIS A 765 13.818 -6.357 -11.514 1.00 0.00 C ATOM 767 CE1 HIS A 765 13.081 -8.391 -11.552 1.00 0.00 C ATOM 768 NE2 HIS A 765 12.816 -7.184 -12.015 1.00 0.00 N ATOM 0 H HIS A 765 16.421 -4.472 -11.012 1.00 0.00 H new ATOM 0 HA HIS A 765 14.717 -5.292 -8.876 1.00 0.00 H new ATOM 0 HB2 HIS A 765 16.730 -6.600 -10.694 1.00 0.00 H new ATOM 0 HB3 HIS A 765 16.156 -7.476 -9.289 1.00 0.00 H new ATOM 0 HD2 HIS A 765 13.906 -5.297 -11.701 1.00 0.00 H new ATOM 0 HE1 HIS A 765 12.488 -9.269 -11.760 1.00 0.00 H new ATOM 0 HE2 HIS A 765 12.038 -6.913 -12.616 1.00 0.00 H new ATOM 776 N GLY A 766 17.831 -4.691 -8.212 1.00 0.00 N ATOM 777 CA GLY A 766 18.786 -4.563 -7.130 1.00 0.00 C ATOM 778 C GLY A 766 19.870 -5.615 -7.192 1.00 0.00 C ATOM 779 O GLY A 766 20.421 -6.009 -6.163 1.00 0.00 O ATOM 0 H GLY A 766 18.113 -4.248 -9.086 1.00 0.00 H new ATOM 0 HA2 GLY A 766 19.241 -3.573 -7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 766 18.263 -4.639 -6.177 1.00 0.00 H new ATOM 783 N LEU A 767 20.175 -6.072 -8.398 1.00 0.00 N ATOM 784 CA LEU A 767 21.206 -7.078 -8.593 1.00 0.00 C ATOM 785 C LEU A 767 22.460 -6.429 -9.169 1.00 0.00 C ATOM 786 O LEU A 767 22.439 -5.260 -9.562 1.00 0.00 O ATOM 787 CB LEU A 767 20.709 -8.186 -9.530 1.00 0.00 C ATOM 788 CG LEU A 767 19.381 -8.837 -9.130 1.00 0.00 C ATOM 789 CD1 LEU A 767 18.941 -9.834 -10.189 1.00 0.00 C ATOM 790 CD2 LEU A 767 19.501 -9.519 -7.776 1.00 0.00 C ATOM 0 H LEU A 767 19.722 -5.761 -9.257 1.00 0.00 H new ATOM 0 HA LEU A 767 21.444 -7.525 -7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 767 20.603 -7.771 -10.532 1.00 0.00 H new ATOM 0 HB3 LEU A 767 21.473 -8.962 -9.585 1.00 0.00 H new ATOM 0 HG LEU A 767 18.626 -8.055 -9.052 1.00 0.00 H new ATOM 0 HD11 LEU A 767 17.996 -10.288 -9.891 1.00 0.00 H new ATOM 0 HD12 LEU A 767 18.812 -9.320 -11.141 1.00 0.00 H new ATOM 0 HD13 LEU A 767 19.699 -10.610 -10.295 1.00 0.00 H new ATOM 0 HD21 LEU A 767 18.546 -9.974 -7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 767 20.270 -10.290 -7.824 1.00 0.00 H new ATOM 0 HD23 LEU A 767 19.773 -8.782 -7.020 1.00 0.00 H new ATOM 802 N ARG A 768 23.542 -7.187 -9.225 1.00 0.00 N ATOM 803 CA ARG A 768 24.813 -6.676 -9.714 1.00 0.00 C ATOM 804 C ARG A 768 25.004 -7.094 -11.169 1.00 0.00 C ATOM 805 O ARG A 768 24.660 -8.211 -11.543 1.00 0.00 O ATOM 806 CB ARG A 768 25.947 -7.225 -8.848 1.00 0.00 C ATOM 807 CG ARG A 768 27.217 -6.398 -8.872 1.00 0.00 C ATOM 808 CD ARG A 768 28.310 -7.073 -8.062 1.00 0.00 C ATOM 809 NE ARG A 768 29.326 -6.129 -7.598 1.00 0.00 N ATOM 810 CZ ARG A 768 30.470 -6.499 -7.021 1.00 0.00 C ATOM 811 NH1 ARG A 768 30.805 -7.784 -6.961 1.00 0.00 N ATOM 812 NH2 ARG A 768 31.290 -5.582 -6.524 1.00 0.00 N ATOM 0 H ARG A 768 23.566 -8.165 -8.936 1.00 0.00 H new ATOM 0 HA ARG A 768 24.821 -5.587 -9.658 1.00 0.00 H new ATOM 0 HB2 ARG A 768 25.597 -7.299 -7.818 1.00 0.00 H new ATOM 0 HB3 ARG A 768 26.182 -8.237 -9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 768 27.550 -6.263 -9.901 1.00 0.00 H new ATOM 0 HG3 ARG A 768 27.018 -5.405 -8.469 1.00 0.00 H new ATOM 0 HD2 ARG A 768 27.864 -7.574 -7.203 1.00 0.00 H new ATOM 0 HD3 ARG A 768 28.785 -7.844 -8.669 1.00 0.00 H new ATOM 0 HE ARG A 768 29.150 -5.132 -7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 768 30.186 -8.491 -7.357 1.00 0.00 H new ATOM 0 HH12 ARG A 768 31.681 -8.063 -6.519 1.00 0.00 H new ATOM 0 HH21 ARG A 768 31.046 -4.593 -6.583 1.00 0.00 H new ATOM 0 HH22 ARG A 768 32.165 -5.866 -6.083 1.00 0.00 H new ATOM 826 N HIS A 769 25.535 -6.203 -11.991 1.00 0.00 N ATOM 827 CA HIS A 769 25.688 -6.491 -13.414 1.00 0.00 C ATOM 828 C HIS A 769 26.872 -5.747 -14.017 1.00 0.00 C ATOM 829 O HIS A 769 27.067 -4.552 -13.778 1.00 0.00 O ATOM 830 CB HIS A 769 24.404 -6.149 -14.191 1.00 0.00 C ATOM 831 CG HIS A 769 23.843 -4.789 -13.890 1.00 0.00 C ATOM 832 ND1 HIS A 769 24.008 -3.738 -14.753 1.00 0.00 N ATOM 833 CD2 HIS A 769 23.127 -4.373 -12.820 1.00 0.00 C ATOM 834 CE1 HIS A 769 23.394 -2.710 -14.196 1.00 0.00 C ATOM 835 NE2 HIS A 769 22.847 -3.046 -13.021 1.00 0.00 N ATOM 0 H HIS A 769 25.866 -5.282 -11.704 1.00 0.00 H new ATOM 0 HA HIS A 769 25.878 -7.561 -13.501 1.00 0.00 H new ATOM 0 HB2 HIS A 769 24.611 -6.215 -15.259 1.00 0.00 H new ATOM 0 HB3 HIS A 769 23.646 -6.900 -13.966 1.00 0.00 H new ATOM 0 HD2 HIS A 769 22.833 -4.971 -11.971 1.00 0.00 H new ATOM 0 HE1 HIS A 769 23.340 -1.724 -14.633 1.00 0.00 H new ATOM 0 HE2 HIS A 769 22.323 -2.433 -12.396 1.00 0.00 H new ATOM 843 N ASP A 770 27.661 -6.475 -14.794 1.00 0.00 N ATOM 844 CA ASP A 770 28.780 -5.907 -15.532 1.00 0.00 C ATOM 845 C ASP A 770 29.089 -6.779 -16.732 1.00 0.00 C ATOM 846 O ASP A 770 28.575 -7.892 -16.852 1.00 0.00 O ATOM 847 CB ASP A 770 30.027 -5.753 -14.651 1.00 0.00 C ATOM 848 CG ASP A 770 30.543 -7.067 -14.096 1.00 0.00 C ATOM 849 OD1 ASP A 770 31.319 -7.759 -14.794 1.00 0.00 O ATOM 850 OD2 ASP A 770 30.191 -7.403 -12.942 1.00 0.00 O ATOM 0 H ASP A 770 27.543 -7.479 -14.931 1.00 0.00 H new ATOM 0 HA ASP A 770 28.494 -4.909 -15.865 1.00 0.00 H new ATOM 0 HB2 ASP A 770 30.817 -5.279 -15.233 1.00 0.00 H new ATOM 0 HB3 ASP A 770 29.796 -5.084 -13.822 1.00 0.00 H new ATOM 855 N SER A 771 29.914 -6.271 -17.625 1.00 0.00 N ATOM 856 CA SER A 771 30.230 -6.980 -18.846 1.00 0.00 C ATOM 857 C SER A 771 31.591 -7.659 -18.738 1.00 0.00 C ATOM 858 O SER A 771 32.539 -7.100 -18.186 1.00 0.00 O ATOM 859 CB SER A 771 30.203 -6.017 -20.028 1.00 0.00 C ATOM 860 OG SER A 771 29.034 -5.212 -20.002 1.00 0.00 O ATOM 0 H SER A 771 30.378 -5.368 -17.527 1.00 0.00 H new ATOM 0 HA SER A 771 29.479 -7.754 -19.006 1.00 0.00 H new ATOM 0 HB2 SER A 771 31.088 -5.381 -20.003 1.00 0.00 H new ATOM 0 HB3 SER A 771 30.241 -6.580 -20.961 1.00 0.00 H new ATOM 0 HG SER A 771 29.040 -4.602 -20.769 1.00 0.00 H new ATOM 976 N PHE A 779 30.414 -10.547 -23.109 1.00 0.00 N ATOM 977 CA PHE A 779 29.051 -10.825 -22.707 1.00 0.00 C ATOM 978 C PHE A 779 28.737 -10.079 -21.416 1.00 0.00 C ATOM 979 O PHE A 779 29.561 -9.304 -20.932 1.00 0.00 O ATOM 980 CB PHE A 779 28.834 -12.333 -22.534 1.00 0.00 C ATOM 981 CG PHE A 779 29.762 -12.992 -21.550 1.00 0.00 C ATOM 982 CD1 PHE A 779 30.986 -13.494 -21.961 1.00 0.00 C ATOM 983 CD2 PHE A 779 29.406 -13.119 -20.217 1.00 0.00 C ATOM 984 CE1 PHE A 779 31.838 -14.106 -21.064 1.00 0.00 C ATOM 985 CE2 PHE A 779 30.253 -13.733 -19.315 1.00 0.00 C ATOM 986 CZ PHE A 779 31.471 -14.227 -19.739 1.00 0.00 C ATOM 0 HA PHE A 779 28.372 -10.480 -23.487 1.00 0.00 H new ATOM 0 HB2 PHE A 779 27.806 -12.504 -22.214 1.00 0.00 H new ATOM 0 HB3 PHE A 779 28.951 -12.817 -23.504 1.00 0.00 H new ATOM 0 HD1 PHE A 779 31.277 -13.405 -22.997 1.00 0.00 H new ATOM 0 HD2 PHE A 779 28.455 -12.733 -19.879 1.00 0.00 H new ATOM 0 HE1 PHE A 779 32.791 -14.490 -21.398 1.00 0.00 H new ATOM 0 HE2 PHE A 779 29.963 -13.827 -18.279 1.00 0.00 H new ATOM 0 HZ PHE A 779 32.135 -14.707 -19.035 1.00 0.00 H new ATOM 996 N ILE A 780 27.559 -10.304 -20.859 1.00 0.00 N ATOM 997 CA ILE A 780 27.154 -9.608 -19.647 1.00 0.00 C ATOM 998 C ILE A 780 26.850 -10.603 -18.530 1.00 0.00 C ATOM 999 O ILE A 780 26.204 -11.627 -18.755 1.00 0.00 O ATOM 1000 CB ILE A 780 25.939 -8.680 -19.898 1.00 0.00 C ATOM 1001 CG1 ILE A 780 25.458 -8.047 -18.587 1.00 0.00 C ATOM 1002 CG2 ILE A 780 24.804 -9.427 -20.584 1.00 0.00 C ATOM 1003 CD1 ILE A 780 24.244 -7.157 -18.756 1.00 0.00 C ATOM 0 H ILE A 780 26.868 -10.960 -21.224 1.00 0.00 H new ATOM 0 HA ILE A 780 27.988 -8.979 -19.336 1.00 0.00 H new ATOM 0 HB ILE A 780 26.263 -7.882 -20.566 1.00 0.00 H new ATOM 0 HG12 ILE A 780 25.222 -8.838 -17.876 1.00 0.00 H new ATOM 0 HG13 ILE A 780 26.270 -7.462 -18.156 1.00 0.00 H new ATOM 0 HG21 ILE A 780 23.967 -8.748 -20.746 1.00 0.00 H new ATOM 0 HG22 ILE A 780 25.149 -9.812 -21.543 1.00 0.00 H new ATOM 0 HG23 ILE A 780 24.482 -10.257 -19.955 1.00 0.00 H new ATOM 0 HD11 ILE A 780 23.959 -6.743 -17.789 1.00 0.00 H new ATOM 0 HD12 ILE A 780 24.481 -6.344 -19.443 1.00 0.00 H new ATOM 0 HD13 ILE A 780 23.417 -7.742 -19.158 1.00 0.00 H new ATOM 1015 N THR A 781 27.341 -10.300 -17.338 1.00 0.00 N ATOM 1016 CA THR A 781 27.181 -11.178 -16.192 1.00 0.00 C ATOM 1017 C THR A 781 26.363 -10.497 -15.102 1.00 0.00 C ATOM 1018 O THR A 781 26.698 -9.397 -14.660 1.00 0.00 O ATOM 1019 CB THR A 781 28.551 -11.580 -15.609 1.00 0.00 C ATOM 1020 OG1 THR A 781 29.395 -12.114 -16.641 1.00 0.00 O ATOM 1021 CG2 THR A 781 28.389 -12.607 -14.501 1.00 0.00 C ATOM 0 H THR A 781 27.858 -9.444 -17.140 1.00 0.00 H new ATOM 0 HA THR A 781 26.660 -12.071 -16.536 1.00 0.00 H new ATOM 0 HB THR A 781 29.014 -10.686 -15.192 1.00 0.00 H new ATOM 0 HG1 THR A 781 30.262 -12.364 -16.258 1.00 0.00 H new ATOM 0 HG21 THR A 781 29.369 -12.874 -14.106 1.00 0.00 H new ATOM 0 HG22 THR A 781 27.778 -12.187 -13.702 1.00 0.00 H new ATOM 0 HG23 THR A 781 27.903 -13.498 -14.899 1.00 0.00 H new ATOM 1029 N VAL A 782 25.288 -11.149 -14.684 1.00 0.00 N ATOM 1030 CA VAL A 782 24.457 -10.642 -13.599 1.00 0.00 C ATOM 1031 C VAL A 782 24.644 -11.495 -12.356 1.00 0.00 C ATOM 1032 O VAL A 782 24.455 -12.705 -12.396 1.00 0.00 O ATOM 1033 CB VAL A 782 22.963 -10.641 -13.982 1.00 0.00 C ATOM 1034 CG1 VAL A 782 22.112 -10.041 -12.871 1.00 0.00 C ATOM 1035 CG2 VAL A 782 22.745 -9.892 -15.280 1.00 0.00 C ATOM 0 H VAL A 782 24.969 -12.033 -15.080 1.00 0.00 H new ATOM 0 HA VAL A 782 24.768 -9.616 -13.402 1.00 0.00 H new ATOM 0 HB VAL A 782 22.653 -11.676 -14.123 1.00 0.00 H new ATOM 0 HG11 VAL A 782 21.064 -10.053 -13.169 1.00 0.00 H new ATOM 0 HG12 VAL A 782 22.237 -10.626 -11.960 1.00 0.00 H new ATOM 0 HG13 VAL A 782 22.425 -9.013 -12.688 1.00 0.00 H new ATOM 0 HG21 VAL A 782 21.685 -9.903 -15.533 1.00 0.00 H new ATOM 0 HG22 VAL A 782 23.080 -8.861 -15.166 1.00 0.00 H new ATOM 0 HG23 VAL A 782 23.313 -10.372 -16.077 1.00 0.00 H new ATOM 1045 N SER A 783 25.016 -10.872 -11.258 1.00 0.00 N ATOM 1046 CA SER A 783 25.230 -11.595 -10.022 1.00 0.00 C ATOM 1047 C SER A 783 24.196 -11.207 -8.974 1.00 0.00 C ATOM 1048 O SER A 783 23.798 -10.045 -8.866 1.00 0.00 O ATOM 1049 CB SER A 783 26.655 -11.352 -9.517 1.00 0.00 C ATOM 1050 OG SER A 783 27.023 -9.991 -9.658 1.00 0.00 O ATOM 0 H SER A 783 25.177 -9.867 -11.196 1.00 0.00 H new ATOM 0 HA SER A 783 25.109 -12.661 -10.214 1.00 0.00 H new ATOM 0 HB2 SER A 783 26.727 -11.644 -8.469 1.00 0.00 H new ATOM 0 HB3 SER A 783 27.352 -11.979 -10.072 1.00 0.00 H new ATOM 0 HG SER A 783 27.543 -9.710 -8.877 1.00 0.00 H new ATOM 1056 N LYS A 784 23.746 -12.205 -8.226 1.00 0.00 N ATOM 1057 CA LYS A 784 22.768 -12.001 -7.169 1.00 0.00 C ATOM 1058 C LYS A 784 23.430 -11.353 -5.963 1.00 0.00 C ATOM 1059 O LYS A 784 22.772 -10.752 -5.113 1.00 0.00 O ATOM 1060 CB LYS A 784 22.156 -13.342 -6.769 1.00 0.00 C ATOM 1061 CG LYS A 784 21.369 -14.000 -7.888 1.00 0.00 C ATOM 1062 CD LYS A 784 20.909 -15.406 -7.526 1.00 0.00 C ATOM 1063 CE LYS A 784 19.901 -15.406 -6.391 1.00 0.00 C ATOM 1064 NZ LYS A 784 19.414 -16.777 -6.082 1.00 0.00 N ATOM 0 H LYS A 784 24.047 -13.173 -8.335 1.00 0.00 H new ATOM 0 HA LYS A 784 21.981 -11.342 -7.534 1.00 0.00 H new ATOM 0 HB2 LYS A 784 22.951 -14.015 -6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 784 21.500 -13.193 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 784 20.500 -13.387 -8.127 1.00 0.00 H new ATOM 0 HG3 LYS A 784 21.986 -14.042 -8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 784 20.466 -15.878 -8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 784 21.773 -16.007 -7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 784 20.357 -14.973 -5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 784 19.055 -14.772 -6.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 18.379 -16.809 -6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 19.847 -17.456 -6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 19.674 -17.026 -5.106 1.00 0.00 H new