USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 930 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 685 SER OG : rot 180:sc= 0.405 USER MOD Set 1.2: A 688 ASN : amide:sc= -0.0379 K(o=0.37,f=-1!) USER MOD Set 2.1: A 593 MET CE :methyl -167:sc= -0.731 (180deg=-0.741) USER MOD Set 2.2: A 632 MET CE :methyl -158:sc= -0.124 (180deg=-0.705) USER MOD Single : A 586 CYS SG : rot 101:sc= -0.357 USER MOD Single : A 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 SER OG : rot 69:sc= 1.07 USER MOD Single : A 598 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 602 ASN : amide:sc= -0.0118 K(o=-0.012,f=-1.2) USER MOD Single : A 605 THR OG1 : rot 180:sc= 0.785 USER MOD Single : A 606 SER OG : rot -153:sc= 1.26 USER MOD Single : A 607 MET CE :methyl -171:sc= 0 (180deg=-0.0401) USER MOD Single : A 609 THR OG1 : rot -64:sc= 1.22 USER MOD Single : A 610 LYS NZ :NH3+ 178:sc= 1.51 (180deg=1.5) USER MOD Single : A 617 GLN : amide:sc= -0.0229 X(o=-0.023,f=-0.043) USER MOD Single : A 621 TYR OH : rot 180:sc= 0.407 USER MOD Single : A 627 THR OG1 : rot -170:sc= 0 USER MOD Single : A 630 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 631 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 633 TYR OH : rot 180:sc= 0 USER MOD Single : A 636 GLN : amide:sc= -1.29 K(o=-1.3,f=-3!) USER MOD Single : A 637 HIS : no HE2:sc= 1.24 K(o=1.2,f=-3.9!) USER MOD Single : A 641 SER OG : rot 56:sc= 1.11 USER MOD Single : A 644 THR OG1 : rot 180:sc= 0 USER MOD Single : A 645 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 647 ASN : amide:sc= -0.449 X(o=-0.45,f=0) USER MOD Single : A 648 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 650 THR OG1 : rot 180:sc= 0 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 656 SER OG : rot 180:sc= 0 USER MOD Single : A 657 TYR OH : rot 150:sc= 1.02 USER MOD Single : A 662 CYS SG : rot 180:sc= -0.013 USER MOD Single : A 665 THR OG1 : rot -70:sc= 0.826 USER MOD Single : A 670 THR OG1 : rot 67:sc= 0.0784 USER MOD Single : A 672 SER OG : rot 180:sc= 0 USER MOD Single : A 677 THR OG1 : rot -113:sc= 0.0839 USER MOD Single : A 678 TYR OH : rot 30:sc= 0.684 USER MOD Single : A 679 CYS SG : rot 180:sc= -3.53! USER MOD Single : A 682 TYR OH : rot 180:sc= 0 USER MOD Single : A 683 SER OG : rot 180:sc= 0 USER MOD Single : A 690 ASN : amide:sc= -0.043 K(o=-0.043,f=-1.7!) USER MOD Single : A 696 TYR OH : rot 180:sc= 0 USER MOD Single : A 698 MET CE :methyl -167:sc= -0.0271 (180deg=-0.281) USER MOD Single : A 699 MET CE :methyl 149:sc= -0.127 (180deg=-0.678) USER MOD ----------------------------------------------------------------- ATOM 144 N CYS A 586 20.820 4.939 -1.810 1.00 0.00 N ATOM 145 CA CYS A 586 20.052 3.732 -2.093 1.00 0.00 C ATOM 146 C CYS A 586 20.802 2.813 -3.049 1.00 0.00 C ATOM 147 O CYS A 586 20.672 1.591 -2.980 1.00 0.00 O ATOM 148 CB CYS A 586 18.789 4.283 -2.754 1.00 0.00 C ATOM 149 SG CYS A 586 17.496 3.052 -3.044 1.00 0.00 S ATOM 0 HA CYS A 586 19.855 3.132 -1.205 1.00 0.00 H new ATOM 0 HB2 CYS A 586 18.383 5.077 -2.127 1.00 0.00 H new ATOM 0 HB3 CYS A 586 19.061 4.737 -3.707 1.00 0.00 H new ATOM 0 HG CYS A 586 16.586 3.153 -2.121 1.00 0.00 H new ATOM 155 N ARG A 587 21.586 3.409 -3.941 1.00 0.00 N ATOM 156 CA ARG A 587 22.420 2.644 -4.860 1.00 0.00 C ATOM 157 C ARG A 587 23.266 1.620 -4.113 1.00 0.00 C ATOM 158 O ARG A 587 23.339 0.456 -4.507 1.00 0.00 O ATOM 159 CB ARG A 587 23.280 3.541 -5.738 1.00 0.00 C ATOM 160 CG ARG A 587 24.134 2.808 -6.760 1.00 0.00 C ATOM 161 CD ARG A 587 24.950 3.696 -7.626 1.00 0.00 C ATOM 162 NE ARG A 587 24.176 4.565 -8.498 1.00 0.00 N ATOM 163 CZ ARG A 587 23.629 4.183 -9.668 1.00 0.00 C ATOM 164 NH1 ARG A 587 23.798 2.964 -10.129 1.00 0.00 N ATOM 165 NH2 ARG A 587 22.936 5.076 -10.354 1.00 0.00 N ATOM 0 H ARG A 587 21.661 4.421 -4.047 1.00 0.00 H new ATOM 0 HA ARG A 587 21.748 2.102 -5.526 1.00 0.00 H new ATOM 0 HB2 ARG A 587 22.630 4.241 -6.264 1.00 0.00 H new ATOM 0 HB3 ARG A 587 23.934 4.133 -5.097 1.00 0.00 H new ATOM 0 HG2 ARG A 587 24.799 2.122 -6.235 1.00 0.00 H new ATOM 0 HG3 ARG A 587 23.484 2.202 -7.391 1.00 0.00 H new ATOM 0 HD2 ARG A 587 25.589 4.313 -6.993 1.00 0.00 H new ATOM 0 HD3 ARG A 587 25.608 3.080 -8.239 1.00 0.00 H new ATOM 0 HE ARG A 587 24.038 5.532 -8.203 1.00 0.00 H new ATOM 0 HH11 ARG A 587 24.351 2.290 -9.599 1.00 0.00 H new ATOM 0 HH12 ARG A 587 23.377 2.692 -11.017 1.00 0.00 H new ATOM 0 HH21 ARG A 587 22.828 6.024 -9.994 1.00 0.00 H new ATOM 0 HH22 ARG A 587 22.510 4.817 -11.244 1.00 0.00 H new ATOM 179 N LYS A 588 23.903 2.060 -3.034 1.00 0.00 N ATOM 180 CA LYS A 588 24.703 1.171 -2.200 1.00 0.00 C ATOM 181 C LYS A 588 23.845 0.073 -1.584 1.00 0.00 C ATOM 182 O LYS A 588 24.251 -1.087 -1.527 1.00 0.00 O ATOM 183 CB LYS A 588 25.413 1.962 -1.101 1.00 0.00 C ATOM 184 CG LYS A 588 26.312 1.122 -0.202 1.00 0.00 C ATOM 185 CD LYS A 588 27.053 1.989 0.805 1.00 0.00 C ATOM 186 CE LYS A 588 27.933 1.149 1.718 1.00 0.00 C ATOM 187 NZ LYS A 588 28.655 1.983 2.717 1.00 0.00 N ATOM 0 H LYS A 588 23.881 3.029 -2.716 1.00 0.00 H new ATOM 0 HA LYS A 588 25.452 0.701 -2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 588 26.013 2.746 -1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 588 24.663 2.457 -0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 588 25.712 0.381 0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 588 27.031 0.575 -0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 588 27.666 2.719 0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 588 26.335 2.549 1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 588 27.319 0.412 2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 588 28.655 0.596 1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 588 29.243 1.372 3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 588 29.261 2.669 2.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 588 27.966 2.491 3.308 1.00 0.00 H new ATOM 201 N LEU A 589 22.656 0.447 -1.124 1.00 0.00 N ATOM 202 CA LEU A 589 21.749 -0.499 -0.486 1.00 0.00 C ATOM 203 C LEU A 589 21.353 -1.615 -1.445 1.00 0.00 C ATOM 204 O LEU A 589 21.204 -2.769 -1.042 1.00 0.00 O ATOM 205 CB LEU A 589 20.501 0.228 0.030 1.00 0.00 C ATOM 206 CG LEU A 589 20.749 1.220 1.174 1.00 0.00 C ATOM 207 CD1 LEU A 589 19.465 1.967 1.505 1.00 0.00 C ATOM 208 CD2 LEU A 589 21.268 0.471 2.392 1.00 0.00 C ATOM 0 H LEU A 589 22.298 1.400 -1.181 1.00 0.00 H new ATOM 0 HA LEU A 589 22.270 -0.950 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 589 20.043 0.764 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 589 19.779 -0.517 0.366 1.00 0.00 H new ATOM 0 HG LEU A 589 21.497 1.950 0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 589 19.651 2.669 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 589 19.125 2.513 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 589 18.698 1.255 1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 589 21.444 1.176 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 589 20.531 -0.268 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 589 22.201 -0.032 2.139 1.00 0.00 H new ATOM 220 N VAL A 590 21.184 -1.264 -2.715 1.00 0.00 N ATOM 221 CA VAL A 590 20.919 -2.253 -3.754 1.00 0.00 C ATOM 222 C VAL A 590 22.132 -3.143 -3.990 1.00 0.00 C ATOM 223 O VAL A 590 22.016 -4.368 -4.029 1.00 0.00 O ATOM 224 CB VAL A 590 20.519 -1.583 -5.082 1.00 0.00 C ATOM 225 CG1 VAL A 590 20.429 -2.617 -6.194 1.00 0.00 C ATOM 226 CG2 VAL A 590 19.197 -0.847 -4.932 1.00 0.00 C ATOM 0 H VAL A 590 21.226 -0.302 -3.050 1.00 0.00 H new ATOM 0 HA VAL A 590 20.088 -2.864 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 590 21.288 -0.858 -5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 590 20.145 -2.126 -7.125 1.00 0.00 H new ATOM 0 HG12 VAL A 590 21.397 -3.102 -6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 590 19.680 -3.365 -5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 590 18.931 -0.380 -5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 590 18.418 -1.553 -4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 590 19.293 -0.079 -4.164 1.00 0.00 H new ATOM 236 N ALA A 591 23.295 -2.521 -4.147 1.00 0.00 N ATOM 237 CA ALA A 591 24.537 -3.257 -4.347 1.00 0.00 C ATOM 238 C ALA A 591 24.829 -4.175 -3.166 1.00 0.00 C ATOM 239 O ALA A 591 25.477 -5.210 -3.318 1.00 0.00 O ATOM 240 CB ALA A 591 25.694 -2.294 -4.571 1.00 0.00 C ATOM 0 H ALA A 591 23.403 -1.507 -4.140 1.00 0.00 H new ATOM 0 HA ALA A 591 24.421 -3.878 -5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 591 26.614 -2.859 -4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 591 25.496 -1.686 -5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 591 25.802 -1.646 -3.701 1.00 0.00 H new ATOM 246 N SER A 592 24.345 -3.790 -1.990 1.00 0.00 N ATOM 247 CA SER A 592 24.555 -4.576 -0.781 1.00 0.00 C ATOM 248 C SER A 592 23.779 -5.886 -0.834 1.00 0.00 C ATOM 249 O SER A 592 24.152 -6.866 -0.189 1.00 0.00 O ATOM 250 CB SER A 592 24.153 -3.773 0.441 1.00 0.00 C ATOM 251 OG SER A 592 24.991 -2.669 0.644 1.00 0.00 O ATOM 0 H SER A 592 23.804 -2.937 -1.849 1.00 0.00 H new ATOM 0 HA SER A 592 25.616 -4.817 -0.713 1.00 0.00 H new ATOM 0 HB2 SER A 592 23.124 -3.431 0.327 1.00 0.00 H new ATOM 0 HB3 SER A 592 24.180 -4.415 1.321 1.00 0.00 H new ATOM 0 HG SER A 592 24.840 -2.009 -0.065 1.00 0.00 H new ATOM 257 N MET A 593 22.698 -5.896 -1.606 1.00 0.00 N ATOM 258 CA MET A 593 21.885 -7.095 -1.769 1.00 0.00 C ATOM 259 C MET A 593 22.644 -8.177 -2.526 1.00 0.00 C ATOM 260 O MET A 593 23.054 -7.977 -3.669 1.00 0.00 O ATOM 261 CB MET A 593 20.584 -6.756 -2.496 1.00 0.00 C ATOM 262 CG MET A 593 19.621 -7.925 -2.642 1.00 0.00 C ATOM 263 SD MET A 593 18.188 -7.522 -3.662 1.00 0.00 S ATOM 264 CE MET A 593 17.214 -6.559 -2.510 1.00 0.00 C ATOM 0 H MET A 593 22.364 -5.086 -2.129 1.00 0.00 H new ATOM 0 HA MET A 593 21.649 -7.480 -0.777 1.00 0.00 H new ATOM 0 HB2 MET A 593 20.081 -5.952 -1.959 1.00 0.00 H new ATOM 0 HB3 MET A 593 20.825 -6.374 -3.488 1.00 0.00 H new ATOM 0 HG2 MET A 593 20.148 -8.772 -3.081 1.00 0.00 H new ATOM 0 HG3 MET A 593 19.283 -8.237 -1.654 1.00 0.00 H new ATOM 0 HE1 MET A 593 16.206 -6.432 -2.904 1.00 0.00 H new ATOM 0 HE2 MET A 593 17.167 -7.077 -1.552 1.00 0.00 H new ATOM 0 HE3 MET A 593 17.676 -5.581 -2.372 1.00 0.00 H new ATOM 274 N PRO A 594 22.828 -9.325 -1.882 1.00 0.00 N ATOM 275 CA PRO A 594 23.490 -10.460 -2.513 1.00 0.00 C ATOM 276 C PRO A 594 22.918 -10.731 -3.898 1.00 0.00 C ATOM 277 O PRO A 594 23.660 -10.972 -4.850 1.00 0.00 O ATOM 278 CB PRO A 594 23.239 -11.623 -1.548 1.00 0.00 C ATOM 279 CG PRO A 594 23.184 -10.984 -0.202 1.00 0.00 C ATOM 280 CD PRO A 594 22.470 -9.675 -0.411 1.00 0.00 C ATOM 0 HA PRO A 594 24.554 -10.290 -2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 594 22.307 -12.139 -1.781 1.00 0.00 H new ATOM 0 HB3 PRO A 594 24.036 -12.364 -1.603 1.00 0.00 H new ATOM 0 HG2 PRO A 594 22.651 -11.613 0.510 1.00 0.00 H new ATOM 0 HG3 PRO A 594 24.185 -10.826 0.199 1.00 0.00 H new ATOM 0 HD2 PRO A 594 21.394 -9.773 -0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 594 22.816 -8.909 0.284 1.00 0.00 H new ATOM 288 N LEU A 595 21.594 -10.690 -4.005 1.00 0.00 N ATOM 289 CA LEU A 595 20.918 -10.969 -5.266 1.00 0.00 C ATOM 290 C LEU A 595 21.475 -10.108 -6.392 1.00 0.00 C ATOM 291 O LEU A 595 21.643 -10.575 -7.518 1.00 0.00 O ATOM 292 CB LEU A 595 19.408 -10.745 -5.118 1.00 0.00 C ATOM 293 CG LEU A 595 18.572 -11.096 -6.356 1.00 0.00 C ATOM 294 CD1 LEU A 595 18.714 -12.578 -6.678 1.00 0.00 C ATOM 295 CD2 LEU A 595 17.115 -10.736 -6.104 1.00 0.00 C ATOM 0 H LEU A 595 20.967 -10.466 -3.232 1.00 0.00 H new ATOM 0 HA LEU A 595 21.097 -12.013 -5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 595 19.049 -11.338 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 595 19.235 -9.699 -4.867 1.00 0.00 H new ATOM 0 HG LEU A 595 18.931 -10.525 -7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 595 18.117 -12.818 -7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 595 19.761 -12.809 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 595 18.366 -13.169 -5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 595 16.521 -10.985 -6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 595 16.745 -11.296 -5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 595 17.034 -9.668 -5.902 1.00 0.00 H new ATOM 307 N PHE A 596 21.759 -8.848 -6.081 1.00 0.00 N ATOM 308 CA PHE A 596 22.232 -7.899 -7.082 1.00 0.00 C ATOM 309 C PHE A 596 23.629 -7.395 -6.747 1.00 0.00 C ATOM 310 O PHE A 596 24.010 -6.290 -7.133 1.00 0.00 O ATOM 311 CB PHE A 596 21.263 -6.722 -7.203 1.00 0.00 C ATOM 312 CG PHE A 596 19.889 -7.112 -7.669 1.00 0.00 C ATOM 313 CD1 PHE A 596 19.711 -7.769 -8.877 1.00 0.00 C ATOM 314 CD2 PHE A 596 18.772 -6.824 -6.900 1.00 0.00 C ATOM 315 CE1 PHE A 596 18.449 -8.128 -9.308 1.00 0.00 C ATOM 316 CE2 PHE A 596 17.507 -7.183 -7.328 1.00 0.00 C ATOM 317 CZ PHE A 596 17.346 -7.835 -8.532 1.00 0.00 C ATOM 0 H PHE A 596 21.670 -8.460 -5.142 1.00 0.00 H new ATOM 0 HA PHE A 596 22.279 -8.419 -8.039 1.00 0.00 H new ATOM 0 HB2 PHE A 596 21.181 -6.230 -6.234 1.00 0.00 H new ATOM 0 HB3 PHE A 596 21.678 -5.992 -7.898 1.00 0.00 H new ATOM 0 HD1 PHE A 596 20.570 -8.003 -9.488 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.891 -6.313 -5.956 1.00 0.00 H new ATOM 0 HE1 PHE A 596 18.325 -8.638 -10.252 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.645 -6.953 -6.719 1.00 0.00 H new ATOM 0 HZ PHE A 596 16.359 -8.116 -8.867 1.00 0.00 H new ATOM 327 N ALA A 597 24.390 -8.213 -6.027 1.00 0.00 N ATOM 328 CA ALA A 597 25.749 -7.852 -5.640 1.00 0.00 C ATOM 329 C ALA A 597 26.630 -7.629 -6.863 1.00 0.00 C ATOM 330 O ALA A 597 27.519 -6.778 -6.852 1.00 0.00 O ATOM 331 CB ALA A 597 26.346 -8.924 -4.741 1.00 0.00 C ATOM 0 H ALA A 597 24.088 -9.131 -5.700 1.00 0.00 H new ATOM 0 HA ALA A 597 25.704 -6.915 -5.085 1.00 0.00 H new ATOM 0 HB1 ALA A 597 27.360 -8.640 -4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 597 25.737 -9.027 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 597 26.369 -9.874 -5.274 1.00 0.00 H new ATOM 337 N ASN A 598 26.376 -8.398 -7.916 1.00 0.00 N ATOM 338 CA ASN A 598 27.167 -8.308 -9.138 1.00 0.00 C ATOM 339 C ASN A 598 26.355 -7.703 -10.276 1.00 0.00 C ATOM 340 O ASN A 598 26.690 -7.871 -11.448 1.00 0.00 O ATOM 341 CB ASN A 598 27.712 -9.664 -9.546 1.00 0.00 C ATOM 342 CG ASN A 598 28.750 -10.208 -8.604 1.00 0.00 C ATOM 343 OD1 ASN A 598 29.490 -9.455 -7.961 1.00 0.00 O ATOM 344 ND2 ASN A 598 28.863 -11.512 -8.580 1.00 0.00 N ATOM 0 H ASN A 598 25.628 -9.091 -7.948 1.00 0.00 H new ATOM 0 HA ASN A 598 28.011 -7.650 -8.928 1.00 0.00 H new ATOM 0 HB2 ASN A 598 26.886 -10.373 -9.611 1.00 0.00 H new ATOM 0 HB3 ASN A 598 28.145 -9.586 -10.543 1.00 0.00 H new ATOM 0 HD21 ASN A 598 29.588 -11.951 -8.012 1.00 0.00 H new ATOM 0 HD22 ASN A 598 28.226 -12.089 -9.129 1.00 0.00 H new ATOM 351 N ALA A 599 25.286 -6.997 -9.923 1.00 0.00 N ATOM 352 CA ALA A 599 24.392 -6.412 -10.915 1.00 0.00 C ATOM 353 C ALA A 599 25.078 -5.285 -11.678 1.00 0.00 C ATOM 354 O ALA A 599 25.963 -4.614 -11.149 1.00 0.00 O ATOM 355 CB ALA A 599 23.119 -5.909 -10.251 1.00 0.00 C ATOM 0 H ALA A 599 25.018 -6.816 -8.956 1.00 0.00 H new ATOM 0 HA ALA A 599 24.129 -7.190 -11.632 1.00 0.00 H new ATOM 0 HB1 ALA A 599 22.462 -5.475 -11.005 1.00 0.00 H new ATOM 0 HB2 ALA A 599 22.611 -6.740 -9.762 1.00 0.00 H new ATOM 0 HB3 ALA A 599 23.371 -5.151 -9.509 1.00 0.00 H new ATOM 361 N ASP A 600 24.663 -5.084 -12.924 1.00 0.00 N ATOM 362 CA ASP A 600 25.210 -4.013 -13.749 1.00 0.00 C ATOM 363 C ASP A 600 24.874 -2.645 -13.171 1.00 0.00 C ATOM 364 O ASP A 600 23.739 -2.393 -12.767 1.00 0.00 O ATOM 365 CB ASP A 600 24.686 -4.121 -15.184 1.00 0.00 C ATOM 366 CG ASP A 600 25.442 -3.270 -16.195 1.00 0.00 C ATOM 367 OD1 ASP A 600 25.329 -2.068 -16.134 1.00 0.00 O ATOM 368 OD2 ASP A 600 26.245 -3.813 -16.916 1.00 0.00 O ATOM 0 H ASP A 600 23.950 -5.649 -13.385 1.00 0.00 H new ATOM 0 HA ASP A 600 26.295 -4.121 -13.759 1.00 0.00 H new ATOM 0 HB2 ASP A 600 24.733 -5.164 -15.498 1.00 0.00 H new ATOM 0 HB3 ASP A 600 23.635 -3.831 -15.197 1.00 0.00 H new ATOM 373 N PRO A 601 25.868 -1.764 -13.133 1.00 0.00 N ATOM 374 CA PRO A 601 25.684 -0.424 -12.588 1.00 0.00 C ATOM 375 C PRO A 601 24.465 0.256 -13.198 1.00 0.00 C ATOM 376 O PRO A 601 23.737 0.976 -12.515 1.00 0.00 O ATOM 377 CB PRO A 601 26.985 0.305 -12.938 1.00 0.00 C ATOM 378 CG PRO A 601 28.026 -0.762 -12.913 1.00 0.00 C ATOM 379 CD PRO A 601 27.364 -1.980 -13.499 1.00 0.00 C ATOM 0 HA PRO A 601 25.496 -0.428 -11.514 1.00 0.00 H new ATOM 0 HB2 PRO A 601 26.924 0.778 -13.918 1.00 0.00 H new ATOM 0 HB3 PRO A 601 27.206 1.092 -12.217 1.00 0.00 H new ATOM 0 HG2 PRO A 601 28.900 -0.472 -13.495 1.00 0.00 H new ATOM 0 HG3 PRO A 601 28.369 -0.952 -11.896 1.00 0.00 H new ATOM 0 HD2 PRO A 601 27.512 -2.043 -14.577 1.00 0.00 H new ATOM 0 HD3 PRO A 601 27.757 -2.901 -13.069 1.00 0.00 H new ATOM 387 N ASN A 602 24.246 0.022 -14.487 1.00 0.00 N ATOM 388 CA ASN A 602 23.126 0.628 -15.197 1.00 0.00 C ATOM 389 C ASN A 602 21.806 -0.016 -14.794 1.00 0.00 C ATOM 390 O ASN A 602 20.796 0.668 -14.624 1.00 0.00 O ATOM 391 CB ASN A 602 23.312 0.547 -16.701 1.00 0.00 C ATOM 392 CG ASN A 602 24.381 1.463 -17.229 1.00 0.00 C ATOM 393 OD1 ASN A 602 24.747 2.456 -16.590 1.00 0.00 O ATOM 394 ND2 ASN A 602 24.826 1.181 -18.427 1.00 0.00 N ATOM 0 H ASN A 602 24.831 -0.584 -15.062 1.00 0.00 H new ATOM 0 HA ASN A 602 23.098 1.680 -14.914 1.00 0.00 H new ATOM 0 HB2 ASN A 602 23.559 -0.479 -16.973 1.00 0.00 H new ATOM 0 HB3 ASN A 602 22.367 0.787 -17.188 1.00 0.00 H new ATOM 0 HD21 ASN A 602 25.507 1.794 -18.875 1.00 0.00 H new ATOM 0 HD22 ASN A 602 24.492 0.348 -18.912 1.00 0.00 H new ATOM 401 N PHE A 603 21.819 -1.336 -14.643 1.00 0.00 N ATOM 402 CA PHE A 603 20.662 -2.060 -14.129 1.00 0.00 C ATOM 403 C PHE A 603 20.231 -1.518 -12.773 1.00 0.00 C ATOM 404 O PHE A 603 19.045 -1.292 -12.532 1.00 0.00 O ATOM 405 CB PHE A 603 20.971 -3.555 -14.024 1.00 0.00 C ATOM 406 CG PHE A 603 19.826 -4.375 -13.501 1.00 0.00 C ATOM 407 CD1 PHE A 603 18.816 -4.802 -14.349 1.00 0.00 C ATOM 408 CD2 PHE A 603 19.756 -4.719 -12.160 1.00 0.00 C ATOM 409 CE1 PHE A 603 17.762 -5.557 -13.869 1.00 0.00 C ATOM 410 CE2 PHE A 603 18.705 -5.474 -11.677 1.00 0.00 C ATOM 411 CZ PHE A 603 17.707 -5.893 -12.533 1.00 0.00 C ATOM 0 H PHE A 603 22.619 -1.927 -14.870 1.00 0.00 H new ATOM 0 HA PHE A 603 19.840 -1.916 -14.830 1.00 0.00 H new ATOM 0 HB2 PHE A 603 21.253 -3.928 -15.008 1.00 0.00 H new ATOM 0 HB3 PHE A 603 21.833 -3.693 -13.371 1.00 0.00 H new ATOM 0 HD1 PHE A 603 18.853 -4.542 -15.397 1.00 0.00 H new ATOM 0 HD2 PHE A 603 20.533 -4.393 -11.484 1.00 0.00 H new ATOM 0 HE1 PHE A 603 16.982 -5.884 -14.541 1.00 0.00 H new ATOM 0 HE2 PHE A 603 18.664 -5.736 -10.630 1.00 0.00 H new ATOM 0 HZ PHE A 603 16.884 -6.483 -12.157 1.00 0.00 H new ATOM 421 N VAL A 604 21.202 -1.310 -11.889 1.00 0.00 N ATOM 422 CA VAL A 604 20.931 -0.744 -10.573 1.00 0.00 C ATOM 423 C VAL A 604 20.289 0.633 -10.687 1.00 0.00 C ATOM 424 O VAL A 604 19.266 0.906 -10.060 1.00 0.00 O ATOM 425 CB VAL A 604 22.215 -0.633 -9.730 1.00 0.00 C ATOM 426 CG1 VAL A 604 21.950 0.155 -8.455 1.00 0.00 C ATOM 427 CG2 VAL A 604 22.756 -2.015 -9.398 1.00 0.00 C ATOM 0 H VAL A 604 22.184 -1.525 -12.061 1.00 0.00 H new ATOM 0 HA VAL A 604 20.239 -1.424 -10.076 1.00 0.00 H new ATOM 0 HB VAL A 604 22.965 -0.100 -10.315 1.00 0.00 H new ATOM 0 HG11 VAL A 604 22.868 0.223 -7.872 1.00 0.00 H new ATOM 0 HG12 VAL A 604 21.608 1.158 -8.711 1.00 0.00 H new ATOM 0 HG13 VAL A 604 21.184 -0.351 -7.867 1.00 0.00 H new ATOM 0 HG21 VAL A 604 23.663 -1.917 -8.802 1.00 0.00 H new ATOM 0 HG22 VAL A 604 22.009 -2.572 -8.833 1.00 0.00 H new ATOM 0 HG23 VAL A 604 22.984 -2.548 -10.321 1.00 0.00 H new ATOM 437 N THR A 605 20.897 1.498 -11.491 1.00 0.00 N ATOM 438 CA THR A 605 20.362 2.835 -11.723 1.00 0.00 C ATOM 439 C THR A 605 18.885 2.781 -12.091 1.00 0.00 C ATOM 440 O THR A 605 18.084 3.577 -11.601 1.00 0.00 O ATOM 441 CB THR A 605 21.132 3.566 -12.839 1.00 0.00 C ATOM 442 OG1 THR A 605 22.505 3.717 -12.455 1.00 0.00 O ATOM 443 CG2 THR A 605 20.527 4.938 -13.093 1.00 0.00 C ATOM 0 H THR A 605 21.762 1.297 -11.994 1.00 0.00 H new ATOM 0 HA THR A 605 20.481 3.387 -10.791 1.00 0.00 H new ATOM 0 HB THR A 605 21.066 2.976 -13.753 1.00 0.00 H new ATOM 0 HG1 THR A 605 22.995 4.181 -13.166 1.00 0.00 H new ATOM 0 HG21 THR A 605 21.083 5.440 -13.884 1.00 0.00 H new ATOM 0 HG22 THR A 605 19.486 4.826 -13.396 1.00 0.00 H new ATOM 0 HG23 THR A 605 20.577 5.532 -12.181 1.00 0.00 H new ATOM 451 N SER A 606 18.530 1.838 -12.957 1.00 0.00 N ATOM 452 CA SER A 606 17.142 1.653 -13.362 1.00 0.00 C ATOM 453 C SER A 606 16.284 1.187 -12.192 1.00 0.00 C ATOM 454 O SER A 606 15.202 1.722 -11.952 1.00 0.00 O ATOM 455 CB SER A 606 17.060 0.660 -14.505 1.00 0.00 C ATOM 456 OG SER A 606 17.687 1.138 -15.663 1.00 0.00 O ATOM 0 H SER A 606 19.186 1.189 -13.392 1.00 0.00 H new ATOM 0 HA SER A 606 16.755 2.615 -13.699 1.00 0.00 H new ATOM 0 HB2 SER A 606 17.524 -0.279 -14.203 1.00 0.00 H new ATOM 0 HB3 SER A 606 16.014 0.443 -14.722 1.00 0.00 H new ATOM 0 HG SER A 606 17.271 0.732 -16.452 1.00 0.00 H new ATOM 462 N MET A 607 16.774 0.187 -11.467 1.00 0.00 N ATOM 463 CA MET A 607 16.041 -0.370 -10.337 1.00 0.00 C ATOM 464 C MET A 607 15.728 0.702 -9.300 1.00 0.00 C ATOM 465 O MET A 607 14.683 0.665 -8.651 1.00 0.00 O ATOM 466 CB MET A 607 16.838 -1.505 -9.698 1.00 0.00 C ATOM 467 CG MET A 607 16.926 -2.767 -10.545 1.00 0.00 C ATOM 468 SD MET A 607 15.322 -3.560 -10.779 1.00 0.00 S ATOM 469 CE MET A 607 15.116 -4.380 -9.201 1.00 0.00 C ATOM 0 H MET A 607 17.677 -0.254 -11.642 1.00 0.00 H new ATOM 0 HA MET A 607 15.096 -0.765 -10.710 1.00 0.00 H new ATOM 0 HB2 MET A 607 17.848 -1.151 -9.490 1.00 0.00 H new ATOM 0 HB3 MET A 607 16.384 -1.756 -8.739 1.00 0.00 H new ATOM 0 HG2 MET A 607 17.349 -2.518 -11.518 1.00 0.00 H new ATOM 0 HG3 MET A 607 17.609 -3.471 -10.071 1.00 0.00 H new ATOM 0 HE1 MET A 607 14.251 -5.042 -9.245 1.00 0.00 H new ATOM 0 HE2 MET A 607 16.008 -4.963 -8.975 1.00 0.00 H new ATOM 0 HE3 MET A 607 14.963 -3.634 -8.421 1.00 0.00 H new ATOM 479 N LEU A 608 16.640 1.656 -9.150 1.00 0.00 N ATOM 480 CA LEU A 608 16.484 2.716 -8.161 1.00 0.00 C ATOM 481 C LEU A 608 15.230 3.538 -8.427 1.00 0.00 C ATOM 482 O LEU A 608 14.642 4.107 -7.507 1.00 0.00 O ATOM 483 CB LEU A 608 17.723 3.620 -8.152 1.00 0.00 C ATOM 484 CG LEU A 608 18.995 2.979 -7.582 1.00 0.00 C ATOM 485 CD1 LEU A 608 20.175 3.927 -7.744 1.00 0.00 C ATOM 486 CD2 LEU A 608 18.777 2.634 -6.116 1.00 0.00 C ATOM 0 H LEU A 608 17.496 1.717 -9.701 1.00 0.00 H new ATOM 0 HA LEU A 608 16.378 2.251 -7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 608 17.925 3.943 -9.173 1.00 0.00 H new ATOM 0 HB3 LEU A 608 17.496 4.515 -7.573 1.00 0.00 H new ATOM 0 HG LEU A 608 19.217 2.063 -8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 608 21.073 3.463 -7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 608 20.326 4.143 -8.802 1.00 0.00 H new ATOM 0 HD13 LEU A 608 19.972 4.855 -7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 608 19.681 2.179 -5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 608 18.547 3.542 -5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 608 17.946 1.934 -6.027 1.00 0.00 H new ATOM 498 N THR A 609 14.824 3.597 -9.691 1.00 0.00 N ATOM 499 CA THR A 609 13.644 4.358 -10.082 1.00 0.00 C ATOM 500 C THR A 609 12.385 3.503 -9.998 1.00 0.00 C ATOM 501 O THR A 609 11.275 3.994 -10.202 1.00 0.00 O ATOM 502 CB THR A 609 13.778 4.916 -11.511 1.00 0.00 C ATOM 503 OG1 THR A 609 13.843 3.831 -12.446 1.00 0.00 O ATOM 504 CG2 THR A 609 15.035 5.764 -11.636 1.00 0.00 C ATOM 0 H THR A 609 15.296 3.126 -10.463 1.00 0.00 H new ATOM 0 HA THR A 609 13.562 5.191 -9.383 1.00 0.00 H new ATOM 0 HB THR A 609 12.909 5.538 -11.726 1.00 0.00 H new ATOM 0 HG1 THR A 609 14.654 3.306 -12.282 1.00 0.00 H new ATOM 0 HG21 THR A 609 15.114 6.150 -12.652 1.00 0.00 H new ATOM 0 HG22 THR A 609 14.983 6.597 -10.934 1.00 0.00 H new ATOM 0 HG23 THR A 609 15.910 5.154 -11.411 1.00 0.00 H new ATOM 512 N LYS A 610 12.566 2.221 -9.697 1.00 0.00 N ATOM 513 CA LYS A 610 11.444 1.296 -9.584 1.00 0.00 C ATOM 514 C LYS A 610 11.170 0.939 -8.129 1.00 0.00 C ATOM 515 O LYS A 610 10.049 0.579 -7.769 1.00 0.00 O ATOM 516 CB LYS A 610 11.713 0.027 -10.395 1.00 0.00 C ATOM 517 CG LYS A 610 12.042 0.276 -11.861 1.00 0.00 C ATOM 518 CD LYS A 610 10.839 0.826 -12.613 1.00 0.00 C ATOM 519 CE LYS A 610 11.124 0.949 -14.102 1.00 0.00 C ATOM 520 NZ LYS A 610 9.977 1.540 -14.842 1.00 0.00 N ATOM 0 H LYS A 610 13.479 1.799 -9.527 1.00 0.00 H new ATOM 0 HA LYS A 610 10.560 1.792 -9.986 1.00 0.00 H new ATOM 0 HB2 LYS A 610 12.540 -0.514 -9.936 1.00 0.00 H new ATOM 0 HB3 LYS A 610 10.838 -0.620 -10.336 1.00 0.00 H new ATOM 0 HG2 LYS A 610 12.872 0.979 -11.935 1.00 0.00 H new ATOM 0 HG3 LYS A 610 12.369 -0.654 -12.325 1.00 0.00 H new ATOM 0 HD2 LYS A 610 9.981 0.172 -12.458 1.00 0.00 H new ATOM 0 HD3 LYS A 610 10.572 1.803 -12.210 1.00 0.00 H new ATOM 0 HE2 LYS A 610 12.009 1.567 -14.252 1.00 0.00 H new ATOM 0 HE3 LYS A 610 11.350 -0.036 -14.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 610 10.225 1.637 -15.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 610 9.147 0.920 -14.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 610 9.755 2.477 -14.448 1.00 0.00 H new ATOM 534 N LEU A 611 12.199 1.042 -7.295 1.00 0.00 N ATOM 535 CA LEU A 611 12.053 0.805 -5.864 1.00 0.00 C ATOM 536 C LEU A 611 11.114 1.823 -5.230 1.00 0.00 C ATOM 537 O LEU A 611 11.063 2.979 -5.650 1.00 0.00 O ATOM 538 CB LEU A 611 13.424 0.843 -5.178 1.00 0.00 C ATOM 539 CG LEU A 611 14.358 -0.326 -5.519 1.00 0.00 C ATOM 540 CD1 LEU A 611 15.749 -0.063 -4.959 1.00 0.00 C ATOM 541 CD2 LEU A 611 13.784 -1.617 -4.954 1.00 0.00 C ATOM 0 H LEU A 611 13.145 1.289 -7.586 1.00 0.00 H new ATOM 0 HA LEU A 611 11.616 -0.184 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 611 13.921 1.775 -5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 611 13.272 0.863 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 611 14.439 -0.423 -6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 611 16.405 -0.898 -5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 611 16.149 0.853 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 611 15.691 0.044 -3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 611 14.448 -2.447 -5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 611 13.691 -1.531 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 611 12.801 -1.799 -5.389 1.00 0.00 H new ATOM 553 N ARG A 612 10.373 1.387 -4.217 1.00 0.00 N ATOM 554 CA ARG A 612 9.498 2.281 -3.468 1.00 0.00 C ATOM 555 C ARG A 612 9.672 2.091 -1.967 1.00 0.00 C ATOM 556 O ARG A 612 9.578 0.975 -1.457 1.00 0.00 O ATOM 557 CB ARG A 612 8.041 2.137 -3.882 1.00 0.00 C ATOM 558 CG ARG A 612 7.745 2.521 -5.324 1.00 0.00 C ATOM 559 CD ARG A 612 7.927 3.965 -5.623 1.00 0.00 C ATOM 560 NE ARG A 612 7.553 4.352 -6.973 1.00 0.00 N ATOM 561 CZ ARG A 612 8.390 4.352 -8.029 1.00 0.00 C ATOM 562 NH1 ARG A 612 9.655 4.023 -7.889 1.00 0.00 N ATOM 563 NH2 ARG A 612 7.911 4.715 -9.206 1.00 0.00 N ATOM 0 H ARG A 612 10.361 0.419 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 612 9.796 3.301 -3.713 1.00 0.00 H new ATOM 0 HB2 ARG A 612 7.735 1.103 -3.726 1.00 0.00 H new ATOM 0 HB3 ARG A 612 7.429 2.753 -3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 612 8.393 1.941 -5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 612 6.718 2.240 -5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 612 7.337 4.547 -4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 612 8.972 4.228 -5.459 1.00 0.00 H new ATOM 0 HE ARG A 612 6.589 4.644 -7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 612 10.016 3.763 -6.971 1.00 0.00 H new ATOM 0 HH12 ARG A 612 10.276 4.028 -8.698 1.00 0.00 H new ATOM 0 HH21 ARG A 612 6.932 4.985 -9.297 1.00 0.00 H new ATOM 0 HH22 ARG A 612 8.521 4.725 -10.024 1.00 0.00 H new ATOM 577 N PHE A 613 9.926 3.189 -1.263 1.00 0.00 N ATOM 578 CA PHE A 613 10.293 3.127 0.147 1.00 0.00 C ATOM 579 C PHE A 613 9.058 3.041 1.034 1.00 0.00 C ATOM 580 O PHE A 613 8.075 3.749 0.817 1.00 0.00 O ATOM 581 CB PHE A 613 11.135 4.345 0.534 1.00 0.00 C ATOM 582 CG PHE A 613 11.569 4.349 1.972 1.00 0.00 C ATOM 583 CD1 PHE A 613 12.525 3.452 2.425 1.00 0.00 C ATOM 584 CD2 PHE A 613 11.023 5.248 2.875 1.00 0.00 C ATOM 585 CE1 PHE A 613 12.925 3.454 3.748 1.00 0.00 C ATOM 586 CE2 PHE A 613 11.422 5.254 4.197 1.00 0.00 C ATOM 587 CZ PHE A 613 12.374 4.356 4.634 1.00 0.00 C ATOM 0 H PHE A 613 9.884 4.133 -1.646 1.00 0.00 H new ATOM 0 HA PHE A 613 10.885 2.224 0.299 1.00 0.00 H new ATOM 0 HB2 PHE A 613 12.019 4.381 -0.103 1.00 0.00 H new ATOM 0 HB3 PHE A 613 10.561 5.250 0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 613 12.962 2.744 1.736 1.00 0.00 H new ATOM 0 HD2 PHE A 613 10.276 5.953 2.540 1.00 0.00 H new ATOM 0 HE1 PHE A 613 13.669 2.749 4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 613 10.989 5.961 4.889 1.00 0.00 H new ATOM 0 HZ PHE A 613 12.687 4.359 5.668 1.00 0.00 H new ATOM 597 N GLU A 614 9.115 2.169 2.035 1.00 0.00 N ATOM 598 CA GLU A 614 7.990 1.969 2.942 1.00 0.00 C ATOM 599 C GLU A 614 8.470 1.609 4.342 1.00 0.00 C ATOM 600 O GLU A 614 9.301 0.718 4.514 1.00 0.00 O ATOM 601 CB GLU A 614 7.059 0.878 2.408 1.00 0.00 C ATOM 602 CG GLU A 614 5.800 0.666 3.237 1.00 0.00 C ATOM 603 CD GLU A 614 4.866 -0.307 2.572 1.00 0.00 C ATOM 604 OE1 GLU A 614 5.125 -0.679 1.453 1.00 0.00 O ATOM 605 OE2 GLU A 614 3.957 -0.766 3.223 1.00 0.00 O ATOM 0 H GLU A 614 9.929 1.589 2.239 1.00 0.00 H new ATOM 0 HA GLU A 614 7.438 2.907 3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 614 6.770 1.131 1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 614 7.610 -0.061 2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 614 6.071 0.296 4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 614 5.292 1.620 3.382 1.00 0.00 H new ATOM 612 N VAL A 615 7.940 2.307 5.341 1.00 0.00 N ATOM 613 CA VAL A 615 8.303 2.053 6.730 1.00 0.00 C ATOM 614 C VAL A 615 7.285 1.145 7.408 1.00 0.00 C ATOM 615 O VAL A 615 6.086 1.234 7.143 1.00 0.00 O ATOM 616 CB VAL A 615 8.422 3.363 7.532 1.00 0.00 C ATOM 617 CG1 VAL A 615 8.750 3.069 8.988 1.00 0.00 C ATOM 618 CG2 VAL A 615 9.482 4.267 6.921 1.00 0.00 C ATOM 0 H VAL A 615 7.257 3.054 5.214 1.00 0.00 H new ATOM 0 HA VAL A 615 9.274 1.558 6.715 1.00 0.00 H new ATOM 0 HB VAL A 615 7.463 3.879 7.492 1.00 0.00 H new ATOM 0 HG11 VAL A 615 8.830 4.006 9.539 1.00 0.00 H new ATOM 0 HG12 VAL A 615 7.959 2.459 9.423 1.00 0.00 H new ATOM 0 HG13 VAL A 615 9.696 2.531 9.046 1.00 0.00 H new ATOM 0 HG21 VAL A 615 9.553 5.188 7.500 1.00 0.00 H new ATOM 0 HG22 VAL A 615 10.445 3.757 6.931 1.00 0.00 H new ATOM 0 HG23 VAL A 615 9.209 4.505 5.893 1.00 0.00 H new ATOM 628 N PHE A 616 7.769 0.273 8.285 1.00 0.00 N ATOM 629 CA PHE A 616 6.908 -0.683 8.972 1.00 0.00 C ATOM 630 C PHE A 616 7.083 -0.596 10.482 1.00 0.00 C ATOM 631 O PHE A 616 8.178 -0.326 10.975 1.00 0.00 O ATOM 632 CB PHE A 616 7.197 -2.105 8.489 1.00 0.00 C ATOM 633 CG PHE A 616 6.787 -2.358 7.066 1.00 0.00 C ATOM 634 CD1 PHE A 616 7.633 -2.029 6.017 1.00 0.00 C ATOM 635 CD2 PHE A 616 5.555 -2.923 6.773 1.00 0.00 C ATOM 636 CE1 PHE A 616 7.256 -2.260 4.707 1.00 0.00 C ATOM 637 CE2 PHE A 616 5.177 -3.157 5.466 1.00 0.00 C ATOM 638 CZ PHE A 616 6.029 -2.824 4.431 1.00 0.00 C ATOM 0 H PHE A 616 8.755 0.208 8.538 1.00 0.00 H new ATOM 0 HA PHE A 616 5.874 -0.432 8.735 1.00 0.00 H new ATOM 0 HB2 PHE A 616 8.264 -2.303 8.590 1.00 0.00 H new ATOM 0 HB3 PHE A 616 6.679 -2.811 9.138 1.00 0.00 H new ATOM 0 HD1 PHE A 616 8.596 -1.588 6.226 1.00 0.00 H new ATOM 0 HD2 PHE A 616 4.883 -3.183 7.577 1.00 0.00 H new ATOM 0 HE1 PHE A 616 7.923 -1.998 3.899 1.00 0.00 H new ATOM 0 HE2 PHE A 616 4.215 -3.600 5.253 1.00 0.00 H new ATOM 0 HZ PHE A 616 5.734 -3.005 3.408 1.00 0.00 H new ATOM 648 N GLN A 617 5.998 -0.827 11.213 1.00 0.00 N ATOM 649 CA GLN A 617 6.004 -0.679 12.663 1.00 0.00 C ATOM 650 C GLN A 617 6.111 -2.032 13.354 1.00 0.00 C ATOM 651 O GLN A 617 5.889 -3.074 12.738 1.00 0.00 O ATOM 652 CB GLN A 617 4.740 0.044 13.134 1.00 0.00 C ATOM 653 CG GLN A 617 4.537 1.414 12.512 1.00 0.00 C ATOM 654 CD GLN A 617 5.640 2.387 12.883 1.00 0.00 C ATOM 655 OE1 GLN A 617 5.950 2.575 14.063 1.00 0.00 O ATOM 656 NE2 GLN A 617 6.238 3.015 11.877 1.00 0.00 N ATOM 0 H GLN A 617 5.101 -1.118 10.824 1.00 0.00 H new ATOM 0 HA GLN A 617 6.877 -0.084 12.931 1.00 0.00 H new ATOM 0 HB2 GLN A 617 3.874 -0.577 12.907 1.00 0.00 H new ATOM 0 HB3 GLN A 617 4.779 0.152 14.218 1.00 0.00 H new ATOM 0 HG2 GLN A 617 4.494 1.315 11.427 1.00 0.00 H new ATOM 0 HG3 GLN A 617 3.577 1.817 12.834 1.00 0.00 H new ATOM 0 HE21 GLN A 617 5.950 2.829 10.916 1.00 0.00 H new ATOM 0 HE22 GLN A 617 6.985 3.683 12.065 1.00 0.00 H new ATOM 665 N PRO A 618 6.452 -2.010 14.638 1.00 0.00 N ATOM 666 CA PRO A 618 6.501 -3.227 15.440 1.00 0.00 C ATOM 667 C PRO A 618 5.196 -4.006 15.338 1.00 0.00 C ATOM 668 O PRO A 618 4.126 -3.488 15.660 1.00 0.00 O ATOM 669 CB PRO A 618 6.766 -2.728 16.863 1.00 0.00 C ATOM 670 CG PRO A 618 7.505 -1.447 16.677 1.00 0.00 C ATOM 671 CD PRO A 618 6.875 -0.795 15.474 1.00 0.00 C ATOM 0 HA PRO A 618 7.270 -3.923 15.105 1.00 0.00 H new ATOM 0 HB2 PRO A 618 5.836 -2.574 17.409 1.00 0.00 H new ATOM 0 HB3 PRO A 618 7.355 -3.447 17.433 1.00 0.00 H new ATOM 0 HG2 PRO A 618 7.419 -0.812 17.559 1.00 0.00 H new ATOM 0 HG3 PRO A 618 8.568 -1.626 16.516 1.00 0.00 H new ATOM 0 HD2 PRO A 618 6.024 -0.171 15.747 1.00 0.00 H new ATOM 0 HD3 PRO A 618 7.579 -0.157 14.940 1.00 0.00 H new ATOM 679 N GLY A 619 5.290 -5.253 14.889 1.00 0.00 N ATOM 680 CA GLY A 619 4.130 -6.133 14.825 1.00 0.00 C ATOM 681 C GLY A 619 3.456 -6.057 13.461 1.00 0.00 C ATOM 682 O GLY A 619 2.592 -6.872 13.138 1.00 0.00 O ATOM 0 H GLY A 619 6.159 -5.677 14.564 1.00 0.00 H new ATOM 0 HA2 GLY A 619 4.437 -7.159 15.025 1.00 0.00 H new ATOM 0 HA3 GLY A 619 3.417 -5.857 15.602 1.00 0.00 H new ATOM 686 N ASP A 620 3.857 -5.074 12.662 1.00 0.00 N ATOM 687 CA ASP A 620 3.267 -4.867 11.345 1.00 0.00 C ATOM 688 C ASP A 620 3.672 -5.975 10.381 1.00 0.00 C ATOM 689 O ASP A 620 4.852 -6.298 10.252 1.00 0.00 O ATOM 690 CB ASP A 620 3.676 -3.504 10.782 1.00 0.00 C ATOM 691 CG ASP A 620 2.909 -3.083 9.535 1.00 0.00 C ATOM 692 OD1 ASP A 620 2.086 -3.844 9.082 1.00 0.00 O ATOM 693 OD2 ASP A 620 3.035 -1.949 9.140 1.00 0.00 O ATOM 0 H ASP A 620 4.590 -4.407 12.904 1.00 0.00 H new ATOM 0 HA ASP A 620 2.183 -4.892 11.457 1.00 0.00 H new ATOM 0 HB2 ASP A 620 3.533 -2.748 11.554 1.00 0.00 H new ATOM 0 HB3 ASP A 620 4.741 -3.525 10.549 1.00 0.00 H new ATOM 698 N TYR A 621 2.685 -6.553 9.704 1.00 0.00 N ATOM 699 CA TYR A 621 2.938 -7.616 8.739 1.00 0.00 C ATOM 700 C TYR A 621 3.361 -7.047 7.391 1.00 0.00 C ATOM 701 O TYR A 621 2.854 -6.013 6.956 1.00 0.00 O ATOM 702 CB TYR A 621 1.696 -8.494 8.572 1.00 0.00 C ATOM 703 CG TYR A 621 1.433 -9.414 9.743 1.00 0.00 C ATOM 704 CD1 TYR A 621 0.676 -8.991 10.826 1.00 0.00 C ATOM 705 CD2 TYR A 621 1.942 -10.705 9.762 1.00 0.00 C ATOM 706 CE1 TYR A 621 0.433 -9.827 11.899 1.00 0.00 C ATOM 707 CE2 TYR A 621 1.705 -11.549 10.829 1.00 0.00 C ATOM 708 CZ TYR A 621 0.950 -11.107 11.896 1.00 0.00 C ATOM 709 OH TYR A 621 0.710 -11.945 12.961 1.00 0.00 O ATOM 0 H TYR A 621 1.702 -6.302 9.806 1.00 0.00 H new ATOM 0 HA TYR A 621 3.755 -8.227 9.123 1.00 0.00 H new ATOM 0 HB2 TYR A 621 0.827 -7.853 8.424 1.00 0.00 H new ATOM 0 HB3 TYR A 621 1.806 -9.094 7.669 1.00 0.00 H new ATOM 0 HD1 TYR A 621 0.269 -7.990 10.830 1.00 0.00 H new ATOM 0 HD2 TYR A 621 2.533 -11.055 8.929 1.00 0.00 H new ATOM 0 HE1 TYR A 621 -0.158 -9.481 12.735 1.00 0.00 H new ATOM 0 HE2 TYR A 621 2.109 -12.551 10.828 1.00 0.00 H new ATOM 0 HH TYR A 621 1.143 -12.809 12.801 1.00 0.00 H new ATOM 719 N ILE A 622 4.293 -7.728 6.733 1.00 0.00 N ATOM 720 CA ILE A 622 4.759 -7.312 5.416 1.00 0.00 C ATOM 721 C ILE A 622 4.281 -8.271 4.334 1.00 0.00 C ATOM 722 O ILE A 622 3.891 -7.849 3.245 1.00 0.00 O ATOM 723 CB ILE A 622 6.295 -7.219 5.363 1.00 0.00 C ATOM 724 CG1 ILE A 622 6.809 -6.265 6.445 1.00 0.00 C ATOM 725 CG2 ILE A 622 6.754 -6.764 3.986 1.00 0.00 C ATOM 726 CD1 ILE A 622 7.344 -6.966 7.673 1.00 0.00 C ATOM 0 H ILE A 622 4.741 -8.572 7.091 1.00 0.00 H new ATOM 0 HA ILE A 622 4.338 -6.323 5.233 1.00 0.00 H new ATOM 0 HB ILE A 622 6.709 -8.209 5.552 1.00 0.00 H new ATOM 0 HG12 ILE A 622 7.597 -5.641 6.022 1.00 0.00 H new ATOM 0 HG13 ILE A 622 6.000 -5.598 6.742 1.00 0.00 H new ATOM 0 HG21 ILE A 622 7.842 -6.704 3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 622 6.417 -7.479 3.235 1.00 0.00 H new ATOM 0 HG23 ILE A 622 6.332 -5.783 3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 622 7.689 -6.225 8.394 1.00 0.00 H new ATOM 0 HD12 ILE A 622 6.554 -7.568 8.122 1.00 0.00 H new ATOM 0 HD13 ILE A 622 8.175 -7.612 7.390 1.00 0.00 H new ATOM 738 N ILE A 623 4.312 -9.564 4.640 1.00 0.00 N ATOM 739 CA ILE A 623 3.824 -10.582 3.717 1.00 0.00 C ATOM 740 C ILE A 623 2.886 -11.556 4.418 1.00 0.00 C ATOM 741 O ILE A 623 3.185 -12.046 5.507 1.00 0.00 O ATOM 742 CB ILE A 623 4.984 -11.369 3.080 1.00 0.00 C ATOM 743 CG1 ILE A 623 5.865 -10.437 2.244 1.00 0.00 C ATOM 744 CG2 ILE A 623 4.448 -12.507 2.226 1.00 0.00 C ATOM 745 CD1 ILE A 623 7.082 -11.114 1.655 1.00 0.00 C ATOM 0 H ILE A 623 4.670 -9.932 5.521 1.00 0.00 H new ATOM 0 HA ILE A 623 3.278 -10.059 2.932 1.00 0.00 H new ATOM 0 HB ILE A 623 5.593 -11.796 3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 623 5.268 -10.016 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 623 6.190 -9.604 2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 623 5.281 -13.053 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 623 3.861 -13.183 2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 623 3.818 -12.102 1.434 1.00 0.00 H new ATOM 0 HD11 ILE A 623 7.657 -10.391 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 623 7.702 -11.511 2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 623 6.766 -11.929 1.005 1.00 0.00 H new ATOM 757 N ARG A 624 1.750 -11.833 3.787 1.00 0.00 N ATOM 758 CA ARG A 624 0.767 -12.753 4.346 1.00 0.00 C ATOM 759 C ARG A 624 0.845 -14.118 3.675 1.00 0.00 C ATOM 760 O ARG A 624 0.940 -14.214 2.451 1.00 0.00 O ATOM 761 CB ARG A 624 -0.644 -12.187 4.295 1.00 0.00 C ATOM 762 CG ARG A 624 -0.874 -10.961 5.165 1.00 0.00 C ATOM 763 CD ARG A 624 -2.253 -10.414 5.100 1.00 0.00 C ATOM 764 NE ARG A 624 -2.468 -9.224 5.908 1.00 0.00 N ATOM 765 CZ ARG A 624 -3.644 -8.577 6.019 1.00 0.00 C ATOM 766 NH1 ARG A 624 -4.702 -8.976 5.349 1.00 0.00 N ATOM 767 NH2 ARG A 624 -3.700 -7.514 6.803 1.00 0.00 N ATOM 0 H ARG A 624 1.487 -11.433 2.886 1.00 0.00 H new ATOM 0 HA ARG A 624 1.015 -12.884 5.399 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -0.880 -11.931 3.262 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -1.344 -12.966 4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -0.646 -11.217 6.200 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -0.172 -10.182 4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -2.489 -10.181 4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -2.952 -11.186 5.420 1.00 0.00 H new ATOM 0 HE ARG A 624 -1.672 -8.853 6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -4.640 -9.787 4.734 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -5.585 -8.475 5.445 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -2.867 -7.205 7.303 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -4.577 -7.003 6.907 1.00 0.00 H new ATOM 781 N GLU A 625 0.805 -15.173 4.482 1.00 0.00 N ATOM 782 CA GLU A 625 0.879 -16.535 3.967 1.00 0.00 C ATOM 783 C GLU A 625 -0.359 -16.883 3.151 1.00 0.00 C ATOM 784 O GLU A 625 -1.487 -16.682 3.599 1.00 0.00 O ATOM 785 CB GLU A 625 1.049 -17.532 5.115 1.00 0.00 C ATOM 786 CG GLU A 625 1.110 -18.989 4.678 1.00 0.00 C ATOM 787 CD GLU A 625 1.291 -19.906 5.856 1.00 0.00 C ATOM 788 OE1 GLU A 625 0.420 -19.949 6.691 1.00 0.00 O ATOM 789 OE2 GLU A 625 2.247 -20.646 5.866 1.00 0.00 O ATOM 0 H GLU A 625 0.722 -15.111 5.497 1.00 0.00 H new ATOM 0 HA GLU A 625 1.748 -16.597 3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 625 1.962 -17.290 5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 625 0.221 -17.409 5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 625 0.194 -19.251 4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 625 1.934 -19.127 3.977 1.00 0.00 H new ATOM 796 N GLY A 626 -0.140 -17.407 1.949 1.00 0.00 N ATOM 797 CA GLY A 626 -1.235 -17.867 1.103 1.00 0.00 C ATOM 798 C GLY A 626 -1.982 -16.693 0.482 1.00 0.00 C ATOM 799 O GLY A 626 -3.096 -16.849 -0.019 1.00 0.00 O ATOM 0 H GLY A 626 0.787 -17.524 1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 626 -0.844 -18.510 0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 626 -1.925 -18.470 1.693 1.00 0.00 H new ATOM 803 N THR A 627 -1.361 -15.519 0.516 1.00 0.00 N ATOM 804 CA THR A 627 -1.953 -14.323 -0.072 1.00 0.00 C ATOM 805 C THR A 627 -1.211 -13.906 -1.335 1.00 0.00 C ATOM 806 O THR A 627 0.013 -13.775 -1.334 1.00 0.00 O ATOM 807 CB THR A 627 -1.954 -13.146 0.922 1.00 0.00 C ATOM 808 OG1 THR A 627 -2.730 -13.492 2.076 1.00 0.00 O ATOM 809 CG2 THR A 627 -2.541 -11.902 0.274 1.00 0.00 C ATOM 0 H THR A 627 -0.448 -15.370 0.945 1.00 0.00 H new ATOM 0 HA THR A 627 -2.983 -14.574 -0.325 1.00 0.00 H new ATOM 0 HB THR A 627 -0.926 -12.938 1.217 1.00 0.00 H new ATOM 0 HG1 THR A 627 -2.862 -12.696 2.632 1.00 0.00 H new ATOM 0 HG21 THR A 627 -2.534 -11.081 0.991 1.00 0.00 H new ATOM 0 HG22 THR A 627 -1.944 -11.629 -0.597 1.00 0.00 H new ATOM 0 HG23 THR A 627 -3.566 -12.103 -0.037 1.00 0.00 H new ATOM 817 N ILE A 628 -1.960 -13.699 -2.413 1.00 0.00 N ATOM 818 CA ILE A 628 -1.369 -13.378 -3.707 1.00 0.00 C ATOM 819 C ILE A 628 -0.658 -12.032 -3.669 1.00 0.00 C ATOM 820 O ILE A 628 -1.070 -11.121 -2.951 1.00 0.00 O ATOM 821 CB ILE A 628 -2.429 -13.358 -4.823 1.00 0.00 C ATOM 822 CG1 ILE A 628 -1.757 -13.372 -6.198 1.00 0.00 C ATOM 823 CG2 ILE A 628 -3.329 -12.140 -4.680 1.00 0.00 C ATOM 824 CD1 ILE A 628 -2.707 -13.656 -7.340 1.00 0.00 C ATOM 0 H ILE A 628 -2.979 -13.748 -2.416 1.00 0.00 H new ATOM 0 HA ILE A 628 -0.643 -14.162 -3.924 1.00 0.00 H new ATOM 0 HB ILE A 628 -3.045 -14.253 -4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 628 -1.278 -12.408 -6.368 1.00 0.00 H new ATOM 0 HG13 ILE A 628 -0.968 -14.124 -6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 628 -4.073 -12.141 -5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 628 -3.833 -12.171 -3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 628 -2.728 -11.233 -4.747 1.00 0.00 H new ATOM 0 HD11 ILE A 628 -2.157 -13.649 -8.281 1.00 0.00 H new ATOM 0 HD12 ILE A 628 -3.167 -14.633 -7.196 1.00 0.00 H new ATOM 0 HD13 ILE A 628 -3.482 -12.890 -7.367 1.00 0.00 H new ATOM 836 N GLY A 629 0.412 -11.911 -4.447 1.00 0.00 N ATOM 837 CA GLY A 629 1.180 -10.674 -4.508 1.00 0.00 C ATOM 838 C GLY A 629 2.673 -10.956 -4.616 1.00 0.00 C ATOM 839 O GLY A 629 3.302 -11.402 -3.655 1.00 0.00 O ATOM 0 H GLY A 629 0.767 -12.657 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 629 0.856 -10.084 -5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 629 0.984 -10.077 -3.617 1.00 0.00 H new ATOM 843 N LYS A 630 3.236 -10.695 -5.790 1.00 0.00 N ATOM 844 CA LYS A 630 4.650 -10.952 -6.037 1.00 0.00 C ATOM 845 C LYS A 630 5.490 -9.707 -5.780 1.00 0.00 C ATOM 846 O LYS A 630 5.868 -8.998 -6.712 1.00 0.00 O ATOM 847 CB LYS A 630 4.864 -11.444 -7.469 1.00 0.00 C ATOM 848 CG LYS A 630 4.198 -12.777 -7.782 1.00 0.00 C ATOM 849 CD LYS A 630 4.281 -13.102 -9.266 1.00 0.00 C ATOM 850 CE LYS A 630 3.645 -14.449 -9.575 1.00 0.00 C ATOM 851 NZ LYS A 630 3.748 -14.795 -11.019 1.00 0.00 N ATOM 0 H LYS A 630 2.734 -10.305 -6.587 1.00 0.00 H new ATOM 0 HA LYS A 630 4.972 -11.729 -5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 630 4.484 -10.691 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 630 5.935 -11.534 -7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 630 4.677 -13.569 -7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 630 3.153 -12.746 -7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 630 3.781 -12.322 -9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 630 5.325 -13.110 -9.581 1.00 0.00 H new ATOM 0 HE2 LYS A 630 4.130 -15.224 -8.981 1.00 0.00 H new ATOM 0 HE3 LYS A 630 2.596 -14.431 -9.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 630 3.303 -15.720 -11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 630 3.264 -14.070 -11.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 630 4.750 -14.838 -11.295 1.00 0.00 H new ATOM 865 N LYS A 631 5.778 -9.447 -4.509 1.00 0.00 N ATOM 866 CA LYS A 631 6.652 -8.342 -4.133 1.00 0.00 C ATOM 867 C LYS A 631 7.751 -8.806 -3.186 1.00 0.00 C ATOM 868 O LYS A 631 7.505 -9.595 -2.273 1.00 0.00 O ATOM 869 CB LYS A 631 5.844 -7.214 -3.489 1.00 0.00 C ATOM 870 CG LYS A 631 4.850 -6.539 -4.424 1.00 0.00 C ATOM 871 CD LYS A 631 4.152 -5.372 -3.741 1.00 0.00 C ATOM 872 CE LYS A 631 3.124 -4.727 -4.659 1.00 0.00 C ATOM 873 NZ LYS A 631 2.442 -3.576 -4.008 1.00 0.00 N ATOM 0 H LYS A 631 5.419 -9.987 -3.722 1.00 0.00 H new ATOM 0 HA LYS A 631 7.122 -7.966 -5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 631 5.303 -7.615 -2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 631 6.534 -6.461 -3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 631 5.369 -6.184 -5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 631 4.108 -7.266 -4.755 1.00 0.00 H new ATOM 0 HD2 LYS A 631 3.662 -5.720 -2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 631 4.891 -4.629 -3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 631 3.614 -4.389 -5.572 1.00 0.00 H new ATOM 0 HE3 LYS A 631 2.382 -5.470 -4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 631 1.750 -3.165 -4.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 631 1.953 -3.902 -3.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 631 3.146 -2.855 -3.751 1.00 0.00 H new ATOM 887 N MET A 632 8.964 -8.312 -3.407 1.00 0.00 N ATOM 888 CA MET A 632 10.068 -8.550 -2.485 1.00 0.00 C ATOM 889 C MET A 632 10.454 -7.275 -1.747 1.00 0.00 C ATOM 890 O MET A 632 10.049 -6.177 -2.130 1.00 0.00 O ATOM 891 CB MET A 632 11.274 -9.110 -3.238 1.00 0.00 C ATOM 892 CG MET A 632 11.860 -8.166 -4.279 1.00 0.00 C ATOM 893 SD MET A 632 13.352 -8.823 -5.051 1.00 0.00 S ATOM 894 CE MET A 632 14.468 -8.860 -3.652 1.00 0.00 C ATOM 0 H MET A 632 9.208 -7.743 -4.218 1.00 0.00 H new ATOM 0 HA MET A 632 9.739 -9.281 -1.746 1.00 0.00 H new ATOM 0 HB2 MET A 632 12.051 -9.364 -2.517 1.00 0.00 H new ATOM 0 HB3 MET A 632 10.981 -10.037 -3.730 1.00 0.00 H new ATOM 0 HG2 MET A 632 11.113 -7.971 -5.049 1.00 0.00 H new ATOM 0 HG3 MET A 632 12.090 -7.210 -3.809 1.00 0.00 H new ATOM 0 HE1 MET A 632 15.498 -8.859 -4.008 1.00 0.00 H new ATOM 0 HE2 MET A 632 14.299 -7.982 -3.028 1.00 0.00 H new ATOM 0 HE3 MET A 632 14.288 -9.761 -3.066 1.00 0.00 H new ATOM 904 N TYR A 633 11.240 -7.426 -0.686 1.00 0.00 N ATOM 905 CA TYR A 633 11.610 -6.297 0.160 1.00 0.00 C ATOM 906 C TYR A 633 13.073 -6.379 0.578 1.00 0.00 C ATOM 907 O TYR A 633 13.566 -7.447 0.939 1.00 0.00 O ATOM 908 CB TYR A 633 10.713 -6.239 1.398 1.00 0.00 C ATOM 909 CG TYR A 633 9.241 -6.095 1.082 1.00 0.00 C ATOM 910 CD1 TYR A 633 8.450 -7.210 0.843 1.00 0.00 C ATOM 911 CD2 TYR A 633 8.645 -4.844 1.026 1.00 0.00 C ATOM 912 CE1 TYR A 633 7.105 -7.084 0.554 1.00 0.00 C ATOM 913 CE2 TYR A 633 7.301 -4.706 0.738 1.00 0.00 C ATOM 914 CZ TYR A 633 6.534 -5.828 0.503 1.00 0.00 C ATOM 915 OH TYR A 633 5.195 -5.697 0.216 1.00 0.00 O ATOM 0 H TYR A 633 11.633 -8.320 -0.391 1.00 0.00 H new ATOM 0 HA TYR A 633 11.471 -5.385 -0.421 1.00 0.00 H new ATOM 0 HB2 TYR A 633 10.862 -7.145 1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 633 11.024 -5.401 2.021 1.00 0.00 H new ATOM 0 HD1 TYR A 633 8.894 -8.194 0.884 1.00 0.00 H new ATOM 0 HD2 TYR A 633 9.242 -3.963 1.211 1.00 0.00 H new ATOM 0 HE1 TYR A 633 6.504 -7.962 0.369 1.00 0.00 H new ATOM 0 HE2 TYR A 633 6.853 -3.724 0.697 1.00 0.00 H new ATOM 0 HH TYR A 633 4.951 -4.748 0.220 1.00 0.00 H new ATOM 925 N PHE A 634 13.762 -5.244 0.527 1.00 0.00 N ATOM 926 CA PHE A 634 15.100 -5.134 1.094 1.00 0.00 C ATOM 927 C PHE A 634 15.071 -4.423 2.441 1.00 0.00 C ATOM 928 O PHE A 634 14.412 -3.395 2.597 1.00 0.00 O ATOM 929 CB PHE A 634 16.031 -4.396 0.129 1.00 0.00 C ATOM 930 CG PHE A 634 17.420 -4.194 0.663 1.00 0.00 C ATOM 931 CD1 PHE A 634 18.355 -5.217 0.610 1.00 0.00 C ATOM 932 CD2 PHE A 634 17.795 -2.981 1.220 1.00 0.00 C ATOM 933 CE1 PHE A 634 19.633 -5.033 1.101 1.00 0.00 C ATOM 934 CE2 PHE A 634 19.073 -2.793 1.711 1.00 0.00 C ATOM 935 CZ PHE A 634 19.993 -3.821 1.651 1.00 0.00 C ATOM 0 H PHE A 634 13.415 -4.386 0.098 1.00 0.00 H new ATOM 0 HA PHE A 634 15.480 -6.144 1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 634 16.088 -4.955 -0.805 1.00 0.00 H new ATOM 0 HB3 PHE A 634 15.598 -3.424 -0.108 1.00 0.00 H new ATOM 0 HD1 PHE A 634 18.081 -6.169 0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 634 17.080 -2.173 1.271 1.00 0.00 H new ATOM 0 HE1 PHE A 634 20.350 -5.839 1.054 1.00 0.00 H new ATOM 0 HE2 PHE A 634 19.352 -1.843 2.141 1.00 0.00 H new ATOM 0 HZ PHE A 634 20.992 -3.676 2.034 1.00 0.00 H new ATOM 945 N ILE A 635 15.789 -4.976 3.412 1.00 0.00 N ATOM 946 CA ILE A 635 15.807 -4.425 4.761 1.00 0.00 C ATOM 947 C ILE A 635 16.892 -3.366 4.910 1.00 0.00 C ATOM 948 O ILE A 635 18.063 -3.687 5.112 1.00 0.00 O ATOM 949 CB ILE A 635 16.027 -5.523 5.818 1.00 0.00 C ATOM 950 CG1 ILE A 635 14.959 -6.612 5.686 1.00 0.00 C ATOM 951 CG2 ILE A 635 16.012 -4.926 7.217 1.00 0.00 C ATOM 952 CD1 ILE A 635 15.236 -7.843 6.519 1.00 0.00 C ATOM 0 H ILE A 635 16.367 -5.807 3.289 1.00 0.00 H new ATOM 0 HA ILE A 635 14.832 -3.967 4.925 1.00 0.00 H new ATOM 0 HB ILE A 635 17.004 -5.976 5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 635 13.993 -6.198 5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 635 14.879 -6.904 4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 635 16.169 -5.716 7.951 1.00 0.00 H new ATOM 0 HG22 ILE A 635 16.807 -4.186 7.305 1.00 0.00 H new ATOM 0 HG23 ILE A 635 15.049 -4.448 7.398 1.00 0.00 H new ATOM 0 HD11 ILE A 635 14.436 -8.569 6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 635 16.185 -8.283 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 635 15.286 -7.566 7.572 1.00 0.00 H new ATOM 964 N GLN A 636 16.495 -2.102 4.809 1.00 0.00 N ATOM 965 CA GLN A 636 17.430 -0.992 4.951 1.00 0.00 C ATOM 966 C GLN A 636 17.901 -0.850 6.393 1.00 0.00 C ATOM 967 O GLN A 636 19.052 -0.495 6.648 1.00 0.00 O ATOM 968 CB GLN A 636 16.783 0.316 4.488 1.00 0.00 C ATOM 969 CG GLN A 636 17.727 1.507 4.476 1.00 0.00 C ATOM 970 CD GLN A 636 17.865 2.149 5.843 1.00 0.00 C ATOM 971 OE1 GLN A 636 16.913 2.182 6.628 1.00 0.00 O ATOM 972 NE2 GLN A 636 19.052 2.669 6.135 1.00 0.00 N ATOM 0 H GLN A 636 15.531 -1.821 4.629 1.00 0.00 H new ATOM 0 HA GLN A 636 18.296 -1.206 4.324 1.00 0.00 H new ATOM 0 HB2 GLN A 636 16.382 0.175 3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 636 15.939 0.542 5.140 1.00 0.00 H new ATOM 0 HG2 GLN A 636 18.709 1.186 4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 636 17.363 2.248 3.764 1.00 0.00 H new ATOM 0 HE21 GLN A 636 19.812 2.619 5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 636 19.204 3.118 7.038 1.00 0.00 H new ATOM 981 N HIS A 637 17.005 -1.130 7.333 1.00 0.00 N ATOM 982 CA HIS A 637 17.354 -1.127 8.749 1.00 0.00 C ATOM 983 C HIS A 637 16.231 -1.717 9.593 1.00 0.00 C ATOM 984 O HIS A 637 15.053 -1.468 9.338 1.00 0.00 O ATOM 985 CB HIS A 637 17.676 0.293 9.224 1.00 0.00 C ATOM 986 CG HIS A 637 18.245 0.349 10.608 1.00 0.00 C ATOM 987 ND1 HIS A 637 19.499 -0.134 10.917 1.00 0.00 N ATOM 988 CD2 HIS A 637 17.732 0.830 11.764 1.00 0.00 C ATOM 989 CE1 HIS A 637 19.733 0.048 12.205 1.00 0.00 C ATOM 990 NE2 HIS A 637 18.676 0.631 12.741 1.00 0.00 N ATOM 0 H HIS A 637 16.031 -1.362 7.140 1.00 0.00 H new ATOM 0 HA HIS A 637 18.240 -1.749 8.873 1.00 0.00 H new ATOM 0 HB2 HIS A 637 18.384 0.747 8.531 1.00 0.00 H new ATOM 0 HB3 HIS A 637 16.767 0.893 9.190 1.00 0.00 H new ATOM 0 HD1 HIS A 637 20.145 -0.564 10.255 1.00 0.00 H new ATOM 0 HD2 HIS A 637 16.761 1.285 11.894 1.00 0.00 H new ATOM 0 HE1 HIS A 637 20.635 -0.232 12.730 1.00 0.00 H new ATOM 998 N GLY A 638 16.604 -2.500 10.600 1.00 0.00 N ATOM 999 CA GLY A 638 15.631 -3.102 11.503 1.00 0.00 C ATOM 1000 C GLY A 638 15.776 -4.618 11.538 1.00 0.00 C ATOM 1001 O GLY A 638 16.854 -5.154 11.284 1.00 0.00 O ATOM 0 H GLY A 638 17.574 -2.732 10.811 1.00 0.00 H new ATOM 0 HA2 GLY A 638 15.764 -2.698 12.507 1.00 0.00 H new ATOM 0 HA3 GLY A 638 14.623 -2.838 11.184 1.00 0.00 H new ATOM 1005 N VAL A 639 14.683 -5.304 11.854 1.00 0.00 N ATOM 1006 CA VAL A 639 14.691 -6.760 11.941 1.00 0.00 C ATOM 1007 C VAL A 639 13.288 -7.329 11.780 1.00 0.00 C ATOM 1008 O VAL A 639 12.345 -6.878 12.431 1.00 0.00 O ATOM 1009 CB VAL A 639 15.279 -7.242 13.281 1.00 0.00 C ATOM 1010 CG1 VAL A 639 14.483 -6.674 14.447 1.00 0.00 C ATOM 1011 CG2 VAL A 639 15.296 -8.762 13.339 1.00 0.00 C ATOM 0 H VAL A 639 13.780 -4.875 12.054 1.00 0.00 H new ATOM 0 HA VAL A 639 15.321 -7.120 11.127 1.00 0.00 H new ATOM 0 HB VAL A 639 16.305 -6.882 13.356 1.00 0.00 H new ATOM 0 HG11 VAL A 639 14.912 -7.025 15.386 1.00 0.00 H new ATOM 0 HG12 VAL A 639 14.519 -5.585 14.416 1.00 0.00 H new ATOM 0 HG13 VAL A 639 13.447 -7.005 14.376 1.00 0.00 H new ATOM 0 HG21 VAL A 639 15.714 -9.085 14.292 1.00 0.00 H new ATOM 0 HG22 VAL A 639 14.279 -9.141 13.242 1.00 0.00 H new ATOM 0 HG23 VAL A 639 15.907 -9.150 12.524 1.00 0.00 H new ATOM 1021 N VAL A 640 13.155 -8.323 10.908 1.00 0.00 N ATOM 1022 CA VAL A 640 11.871 -8.976 10.681 1.00 0.00 C ATOM 1023 C VAL A 640 11.976 -10.482 10.887 1.00 0.00 C ATOM 1024 O VAL A 640 13.067 -11.050 10.841 1.00 0.00 O ATOM 1025 CB VAL A 640 11.338 -8.698 9.263 1.00 0.00 C ATOM 1026 CG1 VAL A 640 11.178 -7.202 9.038 1.00 0.00 C ATOM 1027 CG2 VAL A 640 12.266 -9.296 8.217 1.00 0.00 C ATOM 0 H VAL A 640 13.921 -8.694 10.347 1.00 0.00 H new ATOM 0 HA VAL A 640 11.174 -8.560 11.409 1.00 0.00 H new ATOM 0 HB VAL A 640 10.360 -9.169 9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 640 10.801 -7.024 8.031 1.00 0.00 H new ATOM 0 HG12 VAL A 640 10.475 -6.798 9.766 1.00 0.00 H new ATOM 0 HG13 VAL A 640 12.144 -6.711 9.155 1.00 0.00 H new ATOM 0 HG21 VAL A 640 11.873 -9.090 7.221 1.00 0.00 H new ATOM 0 HG22 VAL A 640 13.257 -8.854 8.315 1.00 0.00 H new ATOM 0 HG23 VAL A 640 12.333 -10.374 8.364 1.00 0.00 H new ATOM 1037 N SER A 641 10.835 -11.124 11.114 1.00 0.00 N ATOM 1038 CA SER A 641 10.779 -12.577 11.211 1.00 0.00 C ATOM 1039 C SER A 641 10.061 -13.183 10.012 1.00 0.00 C ATOM 1040 O SER A 641 8.942 -12.790 9.683 1.00 0.00 O ATOM 1041 CB SER A 641 10.095 -12.989 12.500 1.00 0.00 C ATOM 1042 OG SER A 641 10.880 -12.709 13.626 1.00 0.00 O ATOM 0 H SER A 641 9.935 -10.659 11.234 1.00 0.00 H new ATOM 0 HA SER A 641 11.801 -12.956 11.215 1.00 0.00 H new ATOM 0 HB2 SER A 641 9.141 -12.469 12.586 1.00 0.00 H new ATOM 0 HB3 SER A 641 9.875 -14.056 12.468 1.00 0.00 H new ATOM 0 HG SER A 641 11.115 -11.758 13.633 1.00 0.00 H new ATOM 1048 N VAL A 642 10.712 -14.142 9.361 1.00 0.00 N ATOM 1049 CA VAL A 642 10.137 -14.803 8.196 1.00 0.00 C ATOM 1050 C VAL A 642 9.753 -16.242 8.513 1.00 0.00 C ATOM 1051 O VAL A 642 10.618 -17.092 8.729 1.00 0.00 O ATOM 1052 CB VAL A 642 11.110 -14.792 7.002 1.00 0.00 C ATOM 1053 CG1 VAL A 642 10.487 -15.485 5.800 1.00 0.00 C ATOM 1054 CG2 VAL A 642 11.504 -13.366 6.648 1.00 0.00 C ATOM 0 H VAL A 642 11.639 -14.479 9.621 1.00 0.00 H new ATOM 0 HA VAL A 642 9.242 -14.243 7.927 1.00 0.00 H new ATOM 0 HB VAL A 642 12.009 -15.338 7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 642 11.189 -15.468 4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 642 10.254 -16.518 6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 642 9.572 -14.966 5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 642 12.192 -13.378 5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.613 -12.797 6.383 1.00 0.00 H new ATOM 0 HG23 VAL A 642 11.990 -12.900 7.505 1.00 0.00 H new ATOM 1064 N LEU A 643 8.452 -16.511 8.538 1.00 0.00 N ATOM 1065 CA LEU A 643 7.951 -17.841 8.864 1.00 0.00 C ATOM 1066 C LEU A 643 7.496 -18.580 7.612 1.00 0.00 C ATOM 1067 O LEU A 643 6.599 -18.125 6.902 1.00 0.00 O ATOM 1068 CB LEU A 643 6.799 -17.740 9.872 1.00 0.00 C ATOM 1069 CG LEU A 643 6.147 -19.075 10.253 1.00 0.00 C ATOM 1070 CD1 LEU A 643 7.154 -19.963 10.971 1.00 0.00 C ATOM 1071 CD2 LEU A 643 4.933 -18.816 11.132 1.00 0.00 C ATOM 0 H LEU A 643 7.725 -15.825 8.336 1.00 0.00 H new ATOM 0 HA LEU A 643 8.766 -18.410 9.312 1.00 0.00 H new ATOM 0 HB2 LEU A 643 7.171 -17.264 10.779 1.00 0.00 H new ATOM 0 HB3 LEU A 643 6.032 -17.084 9.459 1.00 0.00 H new ATOM 0 HG LEU A 643 5.822 -19.591 9.350 1.00 0.00 H new ATOM 0 HD11 LEU A 643 6.681 -20.908 11.237 1.00 0.00 H new ATOM 0 HD12 LEU A 643 8.003 -20.154 10.315 1.00 0.00 H new ATOM 0 HD13 LEU A 643 7.500 -19.463 11.876 1.00 0.00 H new ATOM 0 HD21 LEU A 643 4.470 -19.765 11.402 1.00 0.00 H new ATOM 0 HD22 LEU A 643 5.244 -18.293 12.037 1.00 0.00 H new ATOM 0 HD23 LEU A 643 4.214 -18.204 10.588 1.00 0.00 H new ATOM 1083 N THR A 644 8.119 -19.723 7.347 1.00 0.00 N ATOM 1084 CA THR A 644 7.815 -20.502 6.153 1.00 0.00 C ATOM 1085 C THR A 644 7.052 -21.773 6.504 1.00 0.00 C ATOM 1086 O THR A 644 7.379 -22.457 7.474 1.00 0.00 O ATOM 1087 CB THR A 644 9.094 -20.880 5.383 1.00 0.00 C ATOM 1088 OG1 THR A 644 9.785 -19.689 4.986 1.00 0.00 O ATOM 1089 CG2 THR A 644 8.751 -21.698 4.147 1.00 0.00 C ATOM 0 H THR A 644 8.838 -20.131 7.944 1.00 0.00 H new ATOM 0 HA THR A 644 7.193 -19.872 5.518 1.00 0.00 H new ATOM 0 HB THR A 644 9.730 -21.477 6.036 1.00 0.00 H new ATOM 0 HG1 THR A 644 10.600 -19.931 4.498 1.00 0.00 H new ATOM 0 HG21 THR A 644 9.667 -21.956 3.616 1.00 0.00 H new ATOM 0 HG22 THR A 644 8.236 -22.611 4.446 1.00 0.00 H new ATOM 0 HG23 THR A 644 8.104 -21.114 3.492 1.00 0.00 H new ATOM 1097 N LYS A 645 6.034 -22.085 5.710 1.00 0.00 N ATOM 1098 CA LYS A 645 5.181 -23.237 5.974 1.00 0.00 C ATOM 1099 C LYS A 645 5.999 -24.518 6.069 1.00 0.00 C ATOM 1100 O LYS A 645 6.691 -24.896 5.124 1.00 0.00 O ATOM 1101 CB LYS A 645 4.114 -23.375 4.886 1.00 0.00 C ATOM 1102 CG LYS A 645 3.104 -24.488 5.132 1.00 0.00 C ATOM 1103 CD LYS A 645 2.016 -24.493 4.069 1.00 0.00 C ATOM 1104 CE LYS A 645 1.035 -25.636 4.286 1.00 0.00 C ATOM 1105 NZ LYS A 645 -0.101 -25.584 3.326 1.00 0.00 N ATOM 0 H LYS A 645 5.779 -21.555 4.877 1.00 0.00 H new ATOM 0 HA LYS A 645 4.690 -23.074 6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 645 3.579 -22.429 4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 645 4.608 -23.554 3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 645 3.615 -25.451 5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 645 2.653 -24.362 6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 645 1.481 -23.543 4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 645 2.470 -24.583 3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 645 1.557 -26.587 4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 645 0.651 -25.596 5.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 645 -0.746 -26.380 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 645 -0.615 -24.688 3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 645 0.263 -25.648 2.354 1.00 0.00 H new ATOM 1119 N GLY A 646 5.916 -25.183 7.216 1.00 0.00 N ATOM 1120 CA GLY A 646 6.524 -26.498 7.386 1.00 0.00 C ATOM 1121 C GLY A 646 8.038 -26.392 7.517 1.00 0.00 C ATOM 1122 O GLY A 646 8.753 -27.386 7.392 1.00 0.00 O ATOM 0 H GLY A 646 5.433 -24.833 8.043 1.00 0.00 H new ATOM 0 HA2 GLY A 646 6.112 -26.980 8.273 1.00 0.00 H new ATOM 0 HA3 GLY A 646 6.273 -27.130 6.534 1.00 0.00 H new ATOM 1126 N ASN A 647 8.521 -25.180 7.770 1.00 0.00 N ATOM 1127 CA ASN A 647 9.954 -24.935 7.879 1.00 0.00 C ATOM 1128 C ASN A 647 10.273 -24.064 9.087 1.00 0.00 C ATOM 1129 O ASN A 647 9.414 -23.335 9.584 1.00 0.00 O ATOM 1130 CB ASN A 647 10.507 -24.301 6.615 1.00 0.00 C ATOM 1131 CG ASN A 647 10.608 -25.253 5.456 1.00 0.00 C ATOM 1132 OD1 ASN A 647 11.521 -26.083 5.386 1.00 0.00 O ATOM 1133 ND2 ASN A 647 9.723 -25.082 4.507 1.00 0.00 N ATOM 0 H ASN A 647 7.941 -24.352 7.903 1.00 0.00 H new ATOM 0 HA ASN A 647 10.436 -25.903 8.013 1.00 0.00 H new ATOM 0 HB2 ASN A 647 9.871 -23.463 6.331 1.00 0.00 H new ATOM 0 HB3 ASN A 647 11.496 -23.893 6.826 1.00 0.00 H new ATOM 0 HD21 ASN A 647 9.768 -25.648 3.660 1.00 0.00 H new ATOM 0 HD22 ASN A 647 8.989 -24.382 4.615 1.00 0.00 H new ATOM 1140 N LYS A 648 11.514 -24.144 9.557 1.00 0.00 N ATOM 1141 CA LYS A 648 11.953 -23.350 10.699 1.00 0.00 C ATOM 1142 C LYS A 648 11.937 -21.862 10.374 1.00 0.00 C ATOM 1143 O LYS A 648 12.351 -21.449 9.291 1.00 0.00 O ATOM 1144 CB LYS A 648 13.354 -23.777 11.140 1.00 0.00 C ATOM 1145 CG LYS A 648 13.872 -23.054 12.376 1.00 0.00 C ATOM 1146 CD LYS A 648 15.229 -23.591 12.804 1.00 0.00 C ATOM 1147 CE LYS A 648 15.737 -22.885 14.052 1.00 0.00 C ATOM 1148 NZ LYS A 648 17.064 -23.402 14.484 1.00 0.00 N ATOM 0 H LYS A 648 12.234 -24.751 9.164 1.00 0.00 H new ATOM 0 HA LYS A 648 11.255 -23.527 11.517 1.00 0.00 H new ATOM 0 HB2 LYS A 648 13.349 -24.849 11.337 1.00 0.00 H new ATOM 0 HB3 LYS A 648 14.048 -23.607 10.317 1.00 0.00 H new ATOM 0 HG2 LYS A 648 13.950 -21.987 12.169 1.00 0.00 H new ATOM 0 HG3 LYS A 648 13.159 -23.169 13.193 1.00 0.00 H new ATOM 0 HD2 LYS A 648 15.155 -24.662 12.995 1.00 0.00 H new ATOM 0 HD3 LYS A 648 15.946 -23.461 11.993 1.00 0.00 H new ATOM 0 HE2 LYS A 648 15.810 -21.815 13.859 1.00 0.00 H new ATOM 0 HE3 LYS A 648 15.017 -23.014 14.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 648 17.373 -22.894 15.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 648 16.989 -24.418 14.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 648 17.758 -23.256 13.723 1.00 0.00 H new ATOM 1162 N GLU A 649 11.456 -21.061 11.319 1.00 0.00 N ATOM 1163 CA GLU A 649 11.404 -19.615 11.143 1.00 0.00 C ATOM 1164 C GLU A 649 12.803 -19.021 11.042 1.00 0.00 C ATOM 1165 O GLU A 649 13.701 -19.393 11.796 1.00 0.00 O ATOM 1166 CB GLU A 649 10.637 -18.962 12.296 1.00 0.00 C ATOM 1167 CG GLU A 649 10.424 -17.463 12.140 1.00 0.00 C ATOM 1168 CD GLU A 649 9.609 -16.907 13.275 1.00 0.00 C ATOM 1169 OE1 GLU A 649 10.045 -17.001 14.397 1.00 0.00 O ATOM 1170 OE2 GLU A 649 8.604 -16.289 13.011 1.00 0.00 O ATOM 0 H GLU A 649 11.096 -21.390 12.215 1.00 0.00 H new ATOM 0 HA GLU A 649 10.880 -19.412 10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 649 9.665 -19.447 12.391 1.00 0.00 H new ATOM 0 HB3 GLU A 649 11.177 -19.145 13.225 1.00 0.00 H new ATOM 0 HG2 GLU A 649 11.389 -16.958 12.101 1.00 0.00 H new ATOM 0 HG3 GLU A 649 9.920 -17.261 11.195 1.00 0.00 H new ATOM 1177 N THR A 650 12.981 -18.095 10.106 1.00 0.00 N ATOM 1178 CA THR A 650 14.269 -17.441 9.910 1.00 0.00 C ATOM 1179 C THR A 650 14.158 -15.935 10.109 1.00 0.00 C ATOM 1180 O THR A 650 13.243 -15.296 9.588 1.00 0.00 O ATOM 1181 CB THR A 650 14.839 -17.723 8.508 1.00 0.00 C ATOM 1182 OG1 THR A 650 15.031 -19.134 8.342 1.00 0.00 O ATOM 1183 CG2 THR A 650 16.168 -17.008 8.318 1.00 0.00 C ATOM 0 H THR A 650 12.248 -17.780 9.470 1.00 0.00 H new ATOM 0 HA THR A 650 14.947 -17.854 10.657 1.00 0.00 H new ATOM 0 HB THR A 650 14.132 -17.356 7.764 1.00 0.00 H new ATOM 0 HG1 THR A 650 15.392 -19.312 7.449 1.00 0.00 H new ATOM 0 HG21 THR A 650 16.556 -17.219 7.321 1.00 0.00 H new ATOM 0 HG22 THR A 650 16.023 -15.934 8.431 1.00 0.00 H new ATOM 0 HG23 THR A 650 16.880 -17.358 9.066 1.00 0.00 H new ATOM 1191 N LYS A 651 15.094 -15.372 10.865 1.00 0.00 N ATOM 1192 CA LYS A 651 15.078 -13.946 11.170 1.00 0.00 C ATOM 1193 C LYS A 651 16.060 -13.183 10.291 1.00 0.00 C ATOM 1194 O LYS A 651 17.186 -13.628 10.070 1.00 0.00 O ATOM 1195 CB LYS A 651 15.402 -13.711 12.646 1.00 0.00 C ATOM 1196 CG LYS A 651 14.339 -14.218 13.612 1.00 0.00 C ATOM 1197 CD LYS A 651 14.738 -13.963 15.058 1.00 0.00 C ATOM 1198 CE LYS A 651 13.695 -14.503 16.025 1.00 0.00 C ATOM 1199 NZ LYS A 651 14.089 -14.292 17.444 1.00 0.00 N ATOM 0 H LYS A 651 15.874 -15.882 11.278 1.00 0.00 H new ATOM 0 HA LYS A 651 14.075 -13.572 10.963 1.00 0.00 H new ATOM 0 HB2 LYS A 651 16.349 -14.197 12.879 1.00 0.00 H new ATOM 0 HB3 LYS A 651 15.544 -12.643 12.809 1.00 0.00 H new ATOM 0 HG2 LYS A 651 13.390 -13.725 13.402 1.00 0.00 H new ATOM 0 HG3 LYS A 651 14.185 -15.286 13.458 1.00 0.00 H new ATOM 0 HD2 LYS A 651 15.701 -14.432 15.260 1.00 0.00 H new ATOM 0 HD3 LYS A 651 14.866 -12.892 15.219 1.00 0.00 H new ATOM 0 HE2 LYS A 651 12.739 -14.014 15.838 1.00 0.00 H new ATOM 0 HE3 LYS A 651 13.549 -15.568 15.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 651 13.351 -14.674 18.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 651 14.988 -14.780 17.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 651 14.203 -13.274 17.625 1.00 0.00 H new ATOM 1213 N LEU A 652 15.626 -12.031 9.790 1.00 0.00 N ATOM 1214 CA LEU A 652 16.466 -11.204 8.933 1.00 0.00 C ATOM 1215 C LEU A 652 16.592 -9.790 9.484 1.00 0.00 C ATOM 1216 O LEU A 652 15.663 -9.269 10.102 1.00 0.00 O ATOM 1217 CB LEU A 652 15.901 -11.173 7.507 1.00 0.00 C ATOM 1218 CG LEU A 652 15.774 -12.541 6.825 1.00 0.00 C ATOM 1219 CD1 LEU A 652 15.056 -12.394 5.490 1.00 0.00 C ATOM 1220 CD2 LEU A 652 17.158 -13.142 6.630 1.00 0.00 C ATOM 0 H LEU A 652 14.696 -11.649 9.963 1.00 0.00 H new ATOM 0 HA LEU A 652 17.463 -11.645 8.909 1.00 0.00 H new ATOM 0 HB2 LEU A 652 14.917 -10.705 7.533 1.00 0.00 H new ATOM 0 HB3 LEU A 652 16.540 -10.537 6.894 1.00 0.00 H new ATOM 0 HG LEU A 652 15.187 -13.209 7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 652 14.971 -13.371 5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 652 14.060 -11.983 5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 652 15.623 -11.723 4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 652 17.068 -14.114 6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 652 17.758 -12.480 6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 652 17.642 -13.263 7.599 1.00 0.00 H new ATOM 1232 N ALA A 653 17.746 -9.172 9.257 1.00 0.00 N ATOM 1233 CA ALA A 653 18.055 -7.880 9.859 1.00 0.00 C ATOM 1234 C ALA A 653 18.625 -6.915 8.828 1.00 0.00 C ATOM 1235 O ALA A 653 18.813 -7.273 7.665 1.00 0.00 O ATOM 1236 CB ALA A 653 19.024 -8.054 11.019 1.00 0.00 C ATOM 0 H ALA A 653 18.484 -9.545 8.660 1.00 0.00 H new ATOM 0 HA ALA A 653 17.126 -7.454 10.239 1.00 0.00 H new ATOM 0 HB1 ALA A 653 19.245 -7.081 11.458 1.00 0.00 H new ATOM 0 HB2 ALA A 653 18.575 -8.699 11.774 1.00 0.00 H new ATOM 0 HB3 ALA A 653 19.947 -8.507 10.657 1.00 0.00 H new ATOM 1242 N ASP A 654 18.900 -5.689 9.260 1.00 0.00 N ATOM 1243 CA ASP A 654 19.523 -4.693 8.397 1.00 0.00 C ATOM 1244 C ASP A 654 20.580 -5.326 7.500 1.00 0.00 C ATOM 1245 O ASP A 654 21.552 -5.905 7.983 1.00 0.00 O ATOM 1246 CB ASP A 654 20.147 -3.573 9.233 1.00 0.00 C ATOM 1247 CG ASP A 654 20.773 -2.451 8.415 1.00 0.00 C ATOM 1248 OD1 ASP A 654 20.880 -2.602 7.221 1.00 0.00 O ATOM 1249 OD2 ASP A 654 20.994 -1.397 8.961 1.00 0.00 O ATOM 0 H ASP A 654 18.701 -5.361 10.205 1.00 0.00 H new ATOM 0 HA ASP A 654 18.745 -4.269 7.762 1.00 0.00 H new ATOM 0 HB2 ASP A 654 19.380 -3.149 9.881 1.00 0.00 H new ATOM 0 HB3 ASP A 654 20.910 -4.003 9.882 1.00 0.00 H new ATOM 1254 N GLY A 655 20.382 -5.212 6.191 1.00 0.00 N ATOM 1255 CA GLY A 655 21.362 -5.692 5.224 1.00 0.00 C ATOM 1256 C GLY A 655 20.852 -6.924 4.488 1.00 0.00 C ATOM 1257 O GLY A 655 21.417 -7.331 3.473 1.00 0.00 O ATOM 0 H GLY A 655 19.551 -4.791 5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 655 21.585 -4.903 4.506 1.00 0.00 H new ATOM 0 HA3 GLY A 655 22.295 -5.931 5.735 1.00 0.00 H new ATOM 1261 N SER A 656 19.781 -7.515 5.006 1.00 0.00 N ATOM 1262 CA SER A 656 19.201 -8.712 4.408 1.00 0.00 C ATOM 1263 C SER A 656 17.985 -8.369 3.557 1.00 0.00 C ATOM 1264 O SER A 656 17.582 -7.209 3.473 1.00 0.00 O ATOM 1265 CB SER A 656 18.826 -9.707 5.490 1.00 0.00 C ATOM 1266 OG SER A 656 19.947 -10.170 6.191 1.00 0.00 O ATOM 0 H SER A 656 19.296 -7.184 5.840 1.00 0.00 H new ATOM 0 HA SER A 656 19.949 -9.163 3.756 1.00 0.00 H new ATOM 0 HB2 SER A 656 18.131 -9.239 6.187 1.00 0.00 H new ATOM 0 HB3 SER A 656 18.306 -10.552 5.040 1.00 0.00 H new ATOM 0 HG SER A 656 19.662 -10.807 6.879 1.00 0.00 H new ATOM 1272 N TYR A 657 17.405 -9.385 2.928 1.00 0.00 N ATOM 1273 CA TYR A 657 16.230 -9.194 2.085 1.00 0.00 C ATOM 1274 C TYR A 657 15.381 -10.457 2.028 1.00 0.00 C ATOM 1275 O TYR A 657 15.814 -11.527 2.455 1.00 0.00 O ATOM 1276 CB TYR A 657 16.648 -8.778 0.672 1.00 0.00 C ATOM 1277 CG TYR A 657 17.287 -9.889 -0.130 1.00 0.00 C ATOM 1278 CD1 TYR A 657 18.605 -10.258 0.091 1.00 0.00 C ATOM 1279 CD2 TYR A 657 16.571 -10.564 -1.109 1.00 0.00 C ATOM 1280 CE1 TYR A 657 19.194 -11.272 -0.639 1.00 0.00 C ATOM 1281 CE2 TYR A 657 17.150 -11.580 -1.844 1.00 0.00 C ATOM 1282 CZ TYR A 657 18.463 -11.931 -1.606 1.00 0.00 C ATOM 1283 OH TYR A 657 19.046 -12.941 -2.337 1.00 0.00 O ATOM 0 H TYR A 657 17.729 -10.350 2.986 1.00 0.00 H new ATOM 0 HA TYR A 657 15.629 -8.399 2.526 1.00 0.00 H new ATOM 0 HB2 TYR A 657 15.771 -8.415 0.136 1.00 0.00 H new ATOM 0 HB3 TYR A 657 17.347 -7.945 0.741 1.00 0.00 H new ATOM 0 HD1 TYR A 657 19.181 -9.744 0.846 1.00 0.00 H new ATOM 0 HD2 TYR A 657 15.544 -10.290 -1.299 1.00 0.00 H new ATOM 0 HE1 TYR A 657 20.222 -11.548 -0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 657 16.578 -12.097 -2.601 1.00 0.00 H new ATOM 0 HH TYR A 657 18.362 -13.592 -2.599 1.00 0.00 H new ATOM 1293 N PHE A 658 14.170 -10.326 1.498 1.00 0.00 N ATOM 1294 CA PHE A 658 13.266 -11.462 1.362 1.00 0.00 C ATOM 1295 C PHE A 658 12.237 -11.220 0.266 1.00 0.00 C ATOM 1296 O PHE A 658 12.096 -10.102 -0.231 1.00 0.00 O ATOM 1297 CB PHE A 658 12.563 -11.747 2.691 1.00 0.00 C ATOM 1298 CG PHE A 658 11.812 -10.568 3.244 1.00 0.00 C ATOM 1299 CD1 PHE A 658 12.448 -9.643 4.057 1.00 0.00 C ATOM 1300 CD2 PHE A 658 10.470 -10.383 2.950 1.00 0.00 C ATOM 1301 CE1 PHE A 658 11.759 -8.559 4.567 1.00 0.00 C ATOM 1302 CE2 PHE A 658 9.778 -9.299 3.458 1.00 0.00 C ATOM 1303 CZ PHE A 658 10.423 -8.388 4.267 1.00 0.00 C ATOM 0 H PHE A 658 13.791 -9.443 1.155 1.00 0.00 H new ATOM 0 HA PHE A 658 13.862 -12.331 1.082 1.00 0.00 H new ATOM 0 HB2 PHE A 658 11.869 -12.576 2.554 1.00 0.00 H new ATOM 0 HB3 PHE A 658 13.305 -12.069 3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 658 13.494 -9.771 4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 658 9.959 -11.094 2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 658 12.266 -7.846 5.200 1.00 0.00 H new ATOM 0 HE2 PHE A 658 8.733 -9.166 3.221 1.00 0.00 H new ATOM 0 HZ PHE A 658 9.883 -7.542 4.665 1.00 0.00 H new ATOM 1313 N GLY A 659 11.519 -12.273 -0.108 1.00 0.00 N ATOM 1314 CA GLY A 659 10.527 -12.185 -1.173 1.00 0.00 C ATOM 1315 C GLY A 659 11.090 -12.693 -2.494 1.00 0.00 C ATOM 1316 O GLY A 659 10.387 -12.740 -3.503 1.00 0.00 O ATOM 0 H GLY A 659 11.606 -13.199 0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 659 9.646 -12.767 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 659 10.203 -11.151 -1.287 1.00 0.00 H new ATOM 1320 N GLU A 660 12.363 -13.074 -2.482 1.00 0.00 N ATOM 1321 CA GLU A 660 13.001 -13.655 -3.657 1.00 0.00 C ATOM 1322 C GLU A 660 12.227 -14.866 -4.162 1.00 0.00 C ATOM 1323 O GLU A 660 11.916 -14.966 -5.349 1.00 0.00 O ATOM 1324 CB GLU A 660 14.446 -14.048 -3.343 1.00 0.00 C ATOM 1325 CG GLU A 660 15.209 -14.634 -4.523 1.00 0.00 C ATOM 1326 CD GLU A 660 16.616 -14.996 -4.139 1.00 0.00 C ATOM 1327 OE1 GLU A 660 16.992 -14.736 -3.021 1.00 0.00 O ATOM 1328 OE2 GLU A 660 17.279 -15.634 -4.922 1.00 0.00 O ATOM 0 H GLU A 660 12.974 -12.990 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 660 13.003 -12.900 -4.443 1.00 0.00 H new ATOM 0 HB2 GLU A 660 14.979 -13.168 -2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 660 14.444 -14.775 -2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 660 14.691 -15.520 -4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 660 15.227 -13.914 -5.341 1.00 0.00 H new ATOM 1335 N ILE A 661 11.918 -15.785 -3.253 1.00 0.00 N ATOM 1336 CA ILE A 661 11.143 -16.971 -3.597 1.00 0.00 C ATOM 1337 C ILE A 661 9.743 -16.599 -4.068 1.00 0.00 C ATOM 1338 O ILE A 661 9.205 -17.211 -4.990 1.00 0.00 O ATOM 1339 CB ILE A 661 11.033 -17.939 -2.404 1.00 0.00 C ATOM 1340 CG1 ILE A 661 12.397 -18.558 -2.091 1.00 0.00 C ATOM 1341 CG2 ILE A 661 10.005 -19.023 -2.692 1.00 0.00 C ATOM 1342 CD1 ILE A 661 12.438 -19.317 -0.784 1.00 0.00 C ATOM 0 H ILE A 661 12.193 -15.731 -2.272 1.00 0.00 H new ATOM 0 HA ILE A 661 11.674 -17.468 -4.409 1.00 0.00 H new ATOM 0 HB ILE A 661 10.703 -17.377 -1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 661 12.674 -19.233 -2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 661 13.147 -17.767 -2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 661 9.940 -19.698 -1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 661 9.032 -18.564 -2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 661 10.306 -19.584 -3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 661 13.437 -19.726 -0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 661 12.194 -18.642 0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 661 11.713 -20.131 -0.813 1.00 0.00 H new ATOM 1354 N CYS A 662 9.159 -15.590 -3.430 1.00 0.00 N ATOM 1355 CA CYS A 662 7.836 -15.108 -3.809 1.00 0.00 C ATOM 1356 C CYS A 662 7.798 -14.698 -5.275 1.00 0.00 C ATOM 1357 O CYS A 662 6.855 -15.024 -5.997 1.00 0.00 O ATOM 1358 CB CYS A 662 7.649 -13.889 -2.904 1.00 0.00 C ATOM 1359 SG CYS A 662 6.005 -13.140 -2.986 1.00 0.00 S ATOM 0 H CYS A 662 9.581 -15.090 -2.648 1.00 0.00 H new ATOM 0 HA CYS A 662 7.057 -15.862 -3.695 1.00 0.00 H new ATOM 0 HB2 CYS A 662 7.850 -14.183 -1.874 1.00 0.00 H new ATOM 0 HB3 CYS A 662 8.391 -13.137 -3.171 1.00 0.00 H new ATOM 0 HG CYS A 662 5.953 -12.119 -2.182 1.00 0.00 H new ATOM 1365 N LEU A 663 8.829 -13.982 -5.711 1.00 0.00 N ATOM 1366 CA LEU A 663 8.933 -13.556 -7.102 1.00 0.00 C ATOM 1367 C LEU A 663 9.167 -14.745 -8.026 1.00 0.00 C ATOM 1368 O LEU A 663 8.614 -14.808 -9.124 1.00 0.00 O ATOM 1369 CB LEU A 663 10.061 -12.529 -7.259 1.00 0.00 C ATOM 1370 CG LEU A 663 9.614 -11.061 -7.241 1.00 0.00 C ATOM 1371 CD1 LEU A 663 8.740 -10.797 -6.023 1.00 0.00 C ATOM 1372 CD2 LEU A 663 10.838 -10.157 -7.233 1.00 0.00 C ATOM 0 H LEU A 663 9.605 -13.684 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 663 7.989 -13.091 -7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 663 10.784 -12.682 -6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 663 10.579 -12.723 -8.198 1.00 0.00 H new ATOM 0 HG LEU A 663 9.027 -10.848 -8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 663 8.428 -9.753 -6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 663 7.860 -11.439 -6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 663 9.306 -11.010 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 663 10.520 -9.114 -7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 663 11.438 -10.364 -6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 663 11.434 -10.344 -8.126 1.00 0.00 H new ATOM 1384 N LEU A 664 9.989 -15.686 -7.574 1.00 0.00 N ATOM 1385 CA LEU A 664 10.328 -16.856 -8.376 1.00 0.00 C ATOM 1386 C LEU A 664 9.120 -17.767 -8.559 1.00 0.00 C ATOM 1387 O LEU A 664 8.938 -18.366 -9.618 1.00 0.00 O ATOM 1388 CB LEU A 664 11.484 -17.627 -7.726 1.00 0.00 C ATOM 1389 CG LEU A 664 12.845 -16.920 -7.769 1.00 0.00 C ATOM 1390 CD1 LEU A 664 13.851 -17.672 -6.907 1.00 0.00 C ATOM 1391 CD2 LEU A 664 13.328 -16.832 -9.209 1.00 0.00 C ATOM 0 H LEU A 664 10.433 -15.661 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 664 10.642 -16.512 -9.362 1.00 0.00 H new ATOM 0 HB2 LEU A 664 11.228 -17.825 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 664 11.579 -18.594 -8.221 1.00 0.00 H new ATOM 0 HG LEU A 664 12.743 -15.910 -7.372 1.00 0.00 H new ATOM 0 HD11 LEU A 664 14.814 -17.163 -6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 664 13.496 -17.703 -5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 664 13.964 -18.689 -7.283 1.00 0.00 H new ATOM 0 HD21 LEU A 664 14.295 -16.330 -9.238 1.00 0.00 H new ATOM 0 HD22 LEU A 664 13.428 -17.836 -9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 664 12.607 -16.267 -9.801 1.00 0.00 H new ATOM 1403 N THR A 665 8.298 -17.866 -7.520 1.00 0.00 N ATOM 1404 CA THR A 665 7.153 -18.768 -7.533 1.00 0.00 C ATOM 1405 C THR A 665 5.861 -18.015 -7.827 1.00 0.00 C ATOM 1406 O THR A 665 5.888 -16.870 -8.279 1.00 0.00 O ATOM 1407 CB THR A 665 7.006 -19.515 -6.195 1.00 0.00 C ATOM 1408 OG1 THR A 665 6.699 -18.579 -5.153 1.00 0.00 O ATOM 1409 CG2 THR A 665 8.293 -20.248 -5.849 1.00 0.00 C ATOM 0 H THR A 665 8.404 -17.332 -6.657 1.00 0.00 H new ATOM 0 HA THR A 665 7.335 -19.494 -8.325 1.00 0.00 H new ATOM 0 HB THR A 665 6.200 -20.242 -6.289 1.00 0.00 H new ATOM 0 HG1 THR A 665 7.484 -18.020 -4.974 1.00 0.00 H new ATOM 0 HG21 THR A 665 8.170 -20.770 -4.900 1.00 0.00 H new ATOM 0 HG22 THR A 665 8.523 -20.969 -6.633 1.00 0.00 H new ATOM 0 HG23 THR A 665 9.109 -19.530 -5.765 1.00 0.00 H new ATOM 1417 N ARG A 666 4.732 -18.664 -7.567 1.00 0.00 N ATOM 1418 CA ARG A 666 3.434 -18.004 -7.643 1.00 0.00 C ATOM 1419 C ARG A 666 3.323 -16.888 -6.613 1.00 0.00 C ATOM 1420 O ARG A 666 4.109 -16.822 -5.668 1.00 0.00 O ATOM 1421 CB ARG A 666 2.281 -18.990 -7.523 1.00 0.00 C ATOM 1422 CG ARG A 666 2.086 -19.580 -6.136 1.00 0.00 C ATOM 1423 CD ARG A 666 0.977 -20.563 -6.039 1.00 0.00 C ATOM 1424 NE ARG A 666 0.730 -21.063 -4.696 1.00 0.00 N ATOM 1425 CZ ARG A 666 -0.059 -22.116 -4.404 1.00 0.00 C ATOM 1426 NH1 ARG A 666 -0.707 -22.759 -5.350 1.00 0.00 N ATOM 1427 NH2 ARG A 666 -0.183 -22.471 -3.137 1.00 0.00 N ATOM 0 H ARG A 666 4.689 -19.648 -7.301 1.00 0.00 H new ATOM 0 HA ARG A 666 3.361 -17.553 -8.633 1.00 0.00 H new ATOM 0 HB2 ARG A 666 1.360 -18.488 -7.821 1.00 0.00 H new ATOM 0 HB3 ARG A 666 2.443 -19.804 -8.229 1.00 0.00 H new ATOM 0 HG2 ARG A 666 3.012 -20.064 -5.826 1.00 0.00 H new ATOM 0 HG3 ARG A 666 1.899 -18.769 -5.432 1.00 0.00 H new ATOM 0 HD2 ARG A 666 0.064 -20.100 -6.414 1.00 0.00 H new ATOM 0 HD3 ARG A 666 1.198 -21.407 -6.692 1.00 0.00 H new ATOM 0 HE ARG A 666 1.186 -20.583 -3.920 1.00 0.00 H new ATOM 0 HH11 ARG A 666 -0.617 -22.463 -6.322 1.00 0.00 H new ATOM 0 HH12 ARG A 666 -1.300 -23.554 -5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 666 0.311 -21.952 -2.411 1.00 0.00 H new ATOM 0 HH22 ARG A 666 -0.773 -23.264 -2.885 1.00 0.00 H new ATOM 1441 N GLY A 667 2.342 -16.012 -6.801 1.00 0.00 N ATOM 1442 CA GLY A 667 2.144 -14.879 -5.904 1.00 0.00 C ATOM 1443 C GLY A 667 1.758 -15.345 -4.506 1.00 0.00 C ATOM 1444 O GLY A 667 2.125 -14.721 -3.510 1.00 0.00 O ATOM 0 H GLY A 667 1.671 -16.065 -7.567 1.00 0.00 H new ATOM 0 HA2 GLY A 667 3.058 -14.287 -5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 667 1.365 -14.229 -6.302 1.00 0.00 H new ATOM 1448 N ARG A 668 1.015 -16.444 -4.438 1.00 0.00 N ATOM 1449 CA ARG A 668 0.546 -16.975 -3.163 1.00 0.00 C ATOM 1450 C ARG A 668 1.615 -17.831 -2.496 1.00 0.00 C ATOM 1451 O ARG A 668 1.480 -19.052 -2.407 1.00 0.00 O ATOM 1452 CB ARG A 668 -0.766 -17.731 -3.304 1.00 0.00 C ATOM 1453 CG ARG A 668 -1.917 -16.915 -3.872 1.00 0.00 C ATOM 1454 CD ARG A 668 -3.239 -17.587 -3.797 1.00 0.00 C ATOM 1455 NE ARG A 668 -3.780 -17.705 -2.452 1.00 0.00 N ATOM 1456 CZ ARG A 668 -4.865 -18.433 -2.125 1.00 0.00 C ATOM 1457 NH1 ARG A 668 -5.550 -19.079 -3.044 1.00 0.00 N ATOM 1458 NH2 ARG A 668 -5.239 -18.463 -0.858 1.00 0.00 N ATOM 0 H ARG A 668 0.724 -16.985 -5.252 1.00 0.00 H new ATOM 0 HA ARG A 668 0.349 -16.122 -2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 668 -0.602 -18.597 -3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 668 -1.057 -18.110 -2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 668 -1.974 -15.967 -3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 668 -1.701 -16.680 -4.914 1.00 0.00 H new ATOM 0 HD2 ARG A 668 -3.949 -17.035 -4.413 1.00 0.00 H new ATOM 0 HD3 ARG A 668 -3.151 -18.584 -4.228 1.00 0.00 H new ATOM 0 HE ARG A 668 -3.304 -17.201 -1.704 1.00 0.00 H new ATOM 0 HH11 ARG A 668 -5.262 -19.033 -4.021 1.00 0.00 H new ATOM 0 HH12 ARG A 668 -6.369 -19.626 -2.779 1.00 0.00 H new ATOM 0 HH21 ARG A 668 -4.710 -17.943 -0.158 1.00 0.00 H new ATOM 0 HH22 ARG A 668 -6.057 -19.006 -0.580 1.00 0.00 H new ATOM 1472 N ARG A 669 2.677 -17.185 -2.028 1.00 0.00 N ATOM 1473 CA ARG A 669 3.765 -17.885 -1.355 1.00 0.00 C ATOM 1474 C ARG A 669 3.306 -18.468 -0.025 1.00 0.00 C ATOM 1475 O ARG A 669 2.546 -17.837 0.711 1.00 0.00 O ATOM 1476 CB ARG A 669 4.994 -17.005 -1.183 1.00 0.00 C ATOM 1477 CG ARG A 669 6.182 -17.687 -0.523 1.00 0.00 C ATOM 1478 CD ARG A 669 7.385 -16.826 -0.387 1.00 0.00 C ATOM 1479 NE ARG A 669 8.476 -17.430 0.360 1.00 0.00 N ATOM 1480 CZ ARG A 669 9.655 -16.828 0.614 1.00 0.00 C ATOM 1481 NH1 ARG A 669 9.914 -15.624 0.152 1.00 0.00 N ATOM 1482 NH2 ARG A 669 10.555 -17.490 1.319 1.00 0.00 N ATOM 0 H ARG A 669 2.808 -16.176 -2.102 1.00 0.00 H new ATOM 0 HA ARG A 669 4.059 -18.714 -1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 669 5.301 -16.640 -2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 669 4.719 -16.133 -0.590 1.00 0.00 H new ATOM 0 HG2 ARG A 669 5.884 -18.033 0.467 1.00 0.00 H new ATOM 0 HG3 ARG A 669 6.446 -18.571 -1.103 1.00 0.00 H new ATOM 0 HD2 ARG A 669 7.744 -16.565 -1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 669 7.097 -15.896 0.103 1.00 0.00 H new ATOM 0 HE ARG A 669 8.340 -18.376 0.717 1.00 0.00 H new ATOM 0 HH11 ARG A 669 9.218 -15.132 -0.408 1.00 0.00 H new ATOM 0 HH12 ARG A 669 10.811 -15.183 0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 669 10.348 -18.431 1.655 1.00 0.00 H new ATOM 0 HH22 ARG A 669 11.456 -17.061 1.527 1.00 0.00 H new ATOM 1496 N THR A 670 3.771 -19.675 0.278 1.00 0.00 N ATOM 1497 CA THR A 670 3.429 -20.334 1.533 1.00 0.00 C ATOM 1498 C THR A 670 4.334 -19.865 2.666 1.00 0.00 C ATOM 1499 O THR A 670 5.021 -20.667 3.298 1.00 0.00 O ATOM 1500 CB THR A 670 3.529 -21.866 1.412 1.00 0.00 C ATOM 1501 OG1 THR A 670 4.819 -22.225 0.900 1.00 0.00 O ATOM 1502 CG2 THR A 670 2.451 -22.398 0.480 1.00 0.00 C ATOM 0 H THR A 670 4.386 -20.217 -0.329 1.00 0.00 H new ATOM 0 HA THR A 670 2.398 -20.063 1.759 1.00 0.00 H new ATOM 0 HB THR A 670 3.389 -22.304 2.400 1.00 0.00 H new ATOM 0 HG1 THR A 670 5.507 -21.998 1.560 1.00 0.00 H new ATOM 0 HG21 THR A 670 2.536 -23.482 0.406 1.00 0.00 H new ATOM 0 HG22 THR A 670 1.469 -22.137 0.874 1.00 0.00 H new ATOM 0 HG23 THR A 670 2.574 -21.956 -0.509 1.00 0.00 H new ATOM 1510 N ALA A 671 4.329 -18.560 2.918 1.00 0.00 N ATOM 1511 CA ALA A 671 5.154 -17.980 3.971 1.00 0.00 C ATOM 1512 C ALA A 671 4.665 -16.588 4.350 1.00 0.00 C ATOM 1513 O ALA A 671 4.035 -15.901 3.546 1.00 0.00 O ATOM 1514 CB ALA A 671 6.612 -17.934 3.537 1.00 0.00 C ATOM 0 H ALA A 671 3.762 -17.884 2.407 1.00 0.00 H new ATOM 0 HA ALA A 671 5.071 -18.615 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 671 7.215 -17.499 4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 671 6.962 -18.945 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 671 6.705 -17.325 2.638 1.00 0.00 H new ATOM 1520 N SER A 672 4.960 -16.177 5.579 1.00 0.00 N ATOM 1521 CA SER A 672 4.560 -14.862 6.063 1.00 0.00 C ATOM 1522 C SER A 672 5.730 -14.136 6.715 1.00 0.00 C ATOM 1523 O SER A 672 6.679 -14.763 7.185 1.00 0.00 O ATOM 1524 CB SER A 672 3.409 -14.993 7.041 1.00 0.00 C ATOM 1525 OG SER A 672 3.774 -15.707 8.191 1.00 0.00 O ATOM 0 H SER A 672 5.475 -16.737 6.258 1.00 0.00 H new ATOM 0 HA SER A 672 4.233 -14.271 5.208 1.00 0.00 H new ATOM 0 HB2 SER A 672 3.061 -14.000 7.326 1.00 0.00 H new ATOM 0 HB3 SER A 672 2.574 -15.495 6.553 1.00 0.00 H new ATOM 0 HG SER A 672 3.005 -15.768 8.796 1.00 0.00 H new ATOM 1531 N VAL A 673 5.656 -12.809 6.741 1.00 0.00 N ATOM 1532 CA VAL A 673 6.720 -11.994 7.313 1.00 0.00 C ATOM 1533 C VAL A 673 6.155 -10.899 8.209 1.00 0.00 C ATOM 1534 O VAL A 673 5.236 -10.178 7.821 1.00 0.00 O ATOM 1535 CB VAL A 673 7.589 -11.348 6.217 1.00 0.00 C ATOM 1536 CG1 VAL A 673 8.724 -10.548 6.839 1.00 0.00 C ATOM 1537 CG2 VAL A 673 8.140 -12.411 5.279 1.00 0.00 C ATOM 0 H VAL A 673 4.869 -12.275 6.372 1.00 0.00 H new ATOM 0 HA VAL A 673 7.341 -12.663 7.909 1.00 0.00 H new ATOM 0 HB VAL A 673 6.964 -10.668 5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 673 9.327 -10.099 6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 673 8.311 -9.762 7.472 1.00 0.00 H new ATOM 0 HG13 VAL A 673 9.348 -11.209 7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 673 8.751 -11.937 4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 673 8.750 -13.115 5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 673 7.314 -12.944 4.808 1.00 0.00 H new ATOM 1547 N ARG A 674 6.710 -10.780 9.411 1.00 0.00 N ATOM 1548 CA ARG A 674 6.248 -9.786 10.373 1.00 0.00 C ATOM 1549 C ARG A 674 7.418 -9.034 10.993 1.00 0.00 C ATOM 1550 O ARG A 674 8.408 -9.638 11.406 1.00 0.00 O ATOM 1551 CB ARG A 674 5.349 -10.395 11.439 1.00 0.00 C ATOM 1552 CG ARG A 674 4.809 -9.407 12.460 1.00 0.00 C ATOM 1553 CD ARG A 674 3.865 -9.997 13.444 1.00 0.00 C ATOM 1554 NE ARG A 674 4.487 -10.863 14.431 1.00 0.00 N ATOM 1555 CZ ARG A 674 3.849 -11.845 15.098 1.00 0.00 C ATOM 1556 NH1 ARG A 674 2.566 -12.065 14.915 1.00 0.00 N ATOM 1557 NH2 ARG A 674 4.544 -12.568 15.960 1.00 0.00 N ATOM 0 H ARG A 674 7.481 -11.360 9.742 1.00 0.00 H new ATOM 0 HA ARG A 674 5.642 -9.065 9.824 1.00 0.00 H new ATOM 0 HB2 ARG A 674 4.508 -10.884 10.948 1.00 0.00 H new ATOM 0 HB3 ARG A 674 5.907 -11.170 11.965 1.00 0.00 H new ATOM 0 HG2 ARG A 674 5.647 -8.965 12.999 1.00 0.00 H new ATOM 0 HG3 ARG A 674 4.306 -8.596 11.933 1.00 0.00 H new ATOM 0 HD2 ARG A 674 3.348 -9.189 13.962 1.00 0.00 H new ATOM 0 HD3 ARG A 674 3.107 -10.566 12.905 1.00 0.00 H new ATOM 0 HE ARG A 674 5.476 -10.717 14.633 1.00 0.00 H new ATOM 0 HH11 ARG A 674 2.038 -11.488 14.260 1.00 0.00 H new ATOM 0 HH12 ARG A 674 2.098 -12.812 15.428 1.00 0.00 H new ATOM 0 HH21 ARG A 674 5.535 -12.375 16.105 1.00 0.00 H new ATOM 0 HH22 ARG A 674 4.089 -13.318 16.480 1.00 0.00 H new ATOM 1571 N ALA A 675 7.298 -7.712 11.055 1.00 0.00 N ATOM 1572 CA ALA A 675 8.339 -6.876 11.642 1.00 0.00 C ATOM 1573 C ALA A 675 8.356 -7.003 13.160 1.00 0.00 C ATOM 1574 O ALA A 675 7.314 -6.931 13.811 1.00 0.00 O ATOM 1575 CB ALA A 675 8.146 -5.423 11.230 1.00 0.00 C ATOM 0 H ALA A 675 6.490 -7.196 10.706 1.00 0.00 H new ATOM 0 HA ALA A 675 9.302 -7.222 11.266 1.00 0.00 H new ATOM 0 HB1 ALA A 675 8.930 -4.811 11.676 1.00 0.00 H new ATOM 0 HB2 ALA A 675 8.196 -5.343 10.144 1.00 0.00 H new ATOM 0 HB3 ALA A 675 7.173 -5.073 11.575 1.00 0.00 H new ATOM 1581 N ASP A 676 9.547 -7.191 13.719 1.00 0.00 N ATOM 1582 CA ASP A 676 9.700 -7.351 15.160 1.00 0.00 C ATOM 1583 C ASP A 676 9.842 -6.001 15.851 1.00 0.00 C ATOM 1584 O ASP A 676 9.664 -5.892 17.064 1.00 0.00 O ATOM 1585 CB ASP A 676 10.910 -8.233 15.476 1.00 0.00 C ATOM 1586 CG ASP A 676 10.776 -9.676 15.009 1.00 0.00 C ATOM 1587 OD1 ASP A 676 9.791 -10.296 15.333 1.00 0.00 O ATOM 1588 OD2 ASP A 676 11.576 -10.096 14.208 1.00 0.00 O ATOM 0 H ASP A 676 10.421 -7.236 13.195 1.00 0.00 H new ATOM 0 HA ASP A 676 8.800 -7.836 15.539 1.00 0.00 H new ATOM 0 HB2 ASP A 676 11.794 -7.795 15.013 1.00 0.00 H new ATOM 0 HB3 ASP A 676 11.078 -8.227 16.553 1.00 0.00 H new ATOM 1593 N THR A 677 10.163 -4.974 15.072 1.00 0.00 N ATOM 1594 CA THR A 677 10.248 -3.614 15.593 1.00 0.00 C ATOM 1595 C THR A 677 10.161 -2.588 14.470 1.00 0.00 C ATOM 1596 O THR A 677 9.891 -2.933 13.320 1.00 0.00 O ATOM 1597 CB THR A 677 11.552 -3.390 16.380 1.00 0.00 C ATOM 1598 OG1 THR A 677 11.488 -2.135 17.069 1.00 0.00 O ATOM 1599 CG2 THR A 677 12.748 -3.388 15.441 1.00 0.00 C ATOM 0 H THR A 677 10.369 -5.057 14.076 1.00 0.00 H new ATOM 0 HA THR A 677 9.402 -3.483 16.267 1.00 0.00 H new ATOM 0 HB THR A 677 11.669 -4.201 17.099 1.00 0.00 H new ATOM 0 HG1 THR A 677 12.146 -1.518 16.686 1.00 0.00 H new ATOM 0 HG21 THR A 677 13.661 -3.228 16.015 1.00 0.00 H new ATOM 0 HG22 THR A 677 12.807 -4.346 14.925 1.00 0.00 H new ATOM 0 HG23 THR A 677 12.635 -2.588 14.709 1.00 0.00 H new ATOM 1607 N TYR A 678 10.394 -1.325 14.811 1.00 0.00 N ATOM 1608 CA TYR A 678 10.472 -0.265 13.813 1.00 0.00 C ATOM 1609 C TYR A 678 11.550 -0.560 12.778 1.00 0.00 C ATOM 1610 O TYR A 678 12.729 -0.676 13.112 1.00 0.00 O ATOM 1611 CB TYR A 678 10.745 1.083 14.485 1.00 0.00 C ATOM 1612 CG TYR A 678 10.909 2.231 13.513 1.00 0.00 C ATOM 1613 CD1 TYR A 678 9.803 2.855 12.955 1.00 0.00 C ATOM 1614 CD2 TYR A 678 12.170 2.687 13.158 1.00 0.00 C ATOM 1615 CE1 TYR A 678 9.947 3.904 12.067 1.00 0.00 C ATOM 1616 CE2 TYR A 678 12.326 3.734 12.272 1.00 0.00 C ATOM 1617 CZ TYR A 678 11.212 4.340 11.728 1.00 0.00 C ATOM 1618 OH TYR A 678 11.362 5.385 10.845 1.00 0.00 O ATOM 0 H TYR A 678 10.532 -1.011 15.771 1.00 0.00 H new ATOM 0 HA TYR A 678 9.511 -0.219 13.300 1.00 0.00 H new ATOM 0 HB2 TYR A 678 9.925 1.311 15.166 1.00 0.00 H new ATOM 0 HB3 TYR A 678 11.648 1.000 15.090 1.00 0.00 H new ATOM 0 HD1 TYR A 678 8.812 2.515 13.219 1.00 0.00 H new ATOM 0 HD2 TYR A 678 13.044 2.215 13.582 1.00 0.00 H new ATOM 0 HE1 TYR A 678 9.076 4.379 11.641 1.00 0.00 H new ATOM 0 HE2 TYR A 678 13.315 4.077 12.006 1.00 0.00 H new ATOM 0 HH TYR A 678 10.593 5.988 10.919 1.00 0.00 H new ATOM 1628 N CYS A 679 11.138 -0.681 11.521 1.00 0.00 N ATOM 1629 CA CYS A 679 12.051 -1.058 10.449 1.00 0.00 C ATOM 1630 C CYS A 679 11.698 -0.346 9.149 1.00 0.00 C ATOM 1631 O CYS A 679 10.588 0.163 8.991 1.00 0.00 O ATOM 1632 CB CYS A 679 11.817 -2.563 10.318 1.00 0.00 C ATOM 1633 SG CYS A 679 10.159 -3.018 9.756 1.00 0.00 S ATOM 0 H CYS A 679 10.176 -0.523 11.219 1.00 0.00 H new ATOM 0 HA CYS A 679 13.087 -0.793 10.658 1.00 0.00 H new ATOM 0 HB2 CYS A 679 12.548 -2.972 9.621 1.00 0.00 H new ATOM 0 HB3 CYS A 679 12.001 -3.032 11.285 1.00 0.00 H new ATOM 0 HG CYS A 679 10.067 -4.312 9.678 1.00 0.00 H new ATOM 1639 N ARG A 680 12.648 -0.313 8.221 1.00 0.00 N ATOM 1640 CA ARG A 680 12.475 0.419 6.972 1.00 0.00 C ATOM 1641 C ARG A 680 12.841 -0.445 5.772 1.00 0.00 C ATOM 1642 O ARG A 680 13.990 -0.862 5.623 1.00 0.00 O ATOM 1643 CB ARG A 680 13.240 1.734 6.966 1.00 0.00 C ATOM 1644 CG ARG A 680 12.805 2.732 8.027 1.00 0.00 C ATOM 1645 CD ARG A 680 13.668 3.937 8.126 1.00 0.00 C ATOM 1646 NE ARG A 680 13.192 4.945 9.059 1.00 0.00 N ATOM 1647 CZ ARG A 680 13.832 6.099 9.331 1.00 0.00 C ATOM 1648 NH1 ARG A 680 14.990 6.378 8.775 1.00 0.00 N ATOM 1649 NH2 ARG A 680 13.276 6.933 10.192 1.00 0.00 N ATOM 0 H ARG A 680 13.547 -0.786 8.311 1.00 0.00 H new ATOM 0 HA ARG A 680 11.417 0.670 6.892 1.00 0.00 H new ATOM 0 HB2 ARG A 680 14.300 1.521 7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 680 13.130 2.197 5.985 1.00 0.00 H new ATOM 0 HG2 ARG A 680 11.784 3.048 7.814 1.00 0.00 H new ATOM 0 HG3 ARG A 680 12.789 2.231 8.995 1.00 0.00 H new ATOM 0 HD2 ARG A 680 14.669 3.627 8.425 1.00 0.00 H new ATOM 0 HD3 ARG A 680 13.756 4.388 7.137 1.00 0.00 H new ATOM 0 HE ARG A 680 12.311 4.766 9.542 1.00 0.00 H new ATOM 0 HH11 ARG A 680 15.417 5.716 8.127 1.00 0.00 H new ATOM 0 HH12 ARG A 680 15.461 7.256 8.992 1.00 0.00 H new ATOM 0 HH21 ARG A 680 12.386 6.695 10.630 1.00 0.00 H new ATOM 0 HH22 ARG A 680 13.737 7.815 10.418 1.00 0.00 H new ATOM 1663 N LEU A 681 11.858 -0.711 4.918 1.00 0.00 N ATOM 1664 CA LEU A 681 12.040 -1.634 3.805 1.00 0.00 C ATOM 1665 C LEU A 681 11.943 -0.910 2.468 1.00 0.00 C ATOM 1666 O LEU A 681 11.300 0.134 2.362 1.00 0.00 O ATOM 1667 CB LEU A 681 11.003 -2.762 3.877 1.00 0.00 C ATOM 1668 CG LEU A 681 10.977 -3.541 5.198 1.00 0.00 C ATOM 1669 CD1 LEU A 681 9.974 -4.684 5.111 1.00 0.00 C ATOM 1670 CD2 LEU A 681 12.370 -4.068 5.505 1.00 0.00 C ATOM 0 H LEU A 681 10.926 -0.300 4.976 1.00 0.00 H new ATOM 0 HA LEU A 681 13.038 -2.065 3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 681 10.014 -2.337 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 681 11.194 -3.463 3.064 1.00 0.00 H new ATOM 0 HG LEU A 681 10.668 -2.877 6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 681 9.963 -5.231 6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 681 8.980 -4.282 4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 681 10.260 -5.358 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 681 12.351 -4.621 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 681 12.695 -4.728 4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 681 13.064 -3.232 5.591 1.00 0.00 H new ATOM 1682 N TYR A 682 12.585 -1.471 1.449 1.00 0.00 N ATOM 1683 CA TYR A 682 12.355 -1.050 0.072 1.00 0.00 C ATOM 1684 C TYR A 682 11.558 -2.095 -0.698 1.00 0.00 C ATOM 1685 O TYR A 682 11.990 -3.239 -0.838 1.00 0.00 O ATOM 1686 CB TYR A 682 13.685 -0.778 -0.634 1.00 0.00 C ATOM 1687 CG TYR A 682 14.316 0.546 -0.264 1.00 0.00 C ATOM 1688 CD1 TYR A 682 14.011 1.701 -0.970 1.00 0.00 C ATOM 1689 CD2 TYR A 682 15.216 0.638 0.787 1.00 0.00 C ATOM 1690 CE1 TYR A 682 14.584 2.913 -0.638 1.00 0.00 C ATOM 1691 CE2 TYR A 682 15.795 1.845 1.129 1.00 0.00 C ATOM 1692 CZ TYR A 682 15.476 2.981 0.413 1.00 0.00 C ATOM 1693 OH TYR A 682 16.050 4.186 0.747 1.00 0.00 O ATOM 0 H TYR A 682 13.270 -2.220 1.551 1.00 0.00 H new ATOM 0 HA TYR A 682 11.773 -0.129 0.098 1.00 0.00 H new ATOM 0 HB2 TYR A 682 14.383 -1.581 -0.396 1.00 0.00 H new ATOM 0 HB3 TYR A 682 13.525 -0.804 -1.712 1.00 0.00 H new ATOM 0 HD1 TYR A 682 13.314 1.651 -1.793 1.00 0.00 H new ATOM 0 HD2 TYR A 682 15.469 -0.249 1.348 1.00 0.00 H new ATOM 0 HE1 TYR A 682 14.335 3.803 -1.198 1.00 0.00 H new ATOM 0 HE2 TYR A 682 16.493 1.899 1.951 1.00 0.00 H new ATOM 0 HH TYR A 682 16.653 4.061 1.509 1.00 0.00 H new ATOM 1703 N SER A 683 10.393 -1.695 -1.196 1.00 0.00 N ATOM 1704 CA SER A 683 9.504 -2.613 -1.896 1.00 0.00 C ATOM 1705 C SER A 683 9.856 -2.700 -3.376 1.00 0.00 C ATOM 1706 O SER A 683 10.143 -1.689 -4.016 1.00 0.00 O ATOM 1707 CB SER A 683 8.062 -2.179 -1.721 1.00 0.00 C ATOM 1708 OG SER A 683 7.177 -2.984 -2.450 1.00 0.00 O ATOM 0 H SER A 683 10.043 -0.740 -1.127 1.00 0.00 H new ATOM 0 HA SER A 683 9.631 -3.605 -1.463 1.00 0.00 H new ATOM 0 HB2 SER A 683 7.798 -2.216 -0.664 1.00 0.00 H new ATOM 0 HB3 SER A 683 7.955 -1.142 -2.040 1.00 0.00 H new ATOM 0 HG SER A 683 6.259 -2.672 -2.309 1.00 0.00 H new ATOM 1714 N LEU A 684 9.831 -3.915 -3.914 1.00 0.00 N ATOM 1715 CA LEU A 684 10.103 -4.131 -5.330 1.00 0.00 C ATOM 1716 C LEU A 684 9.233 -5.248 -5.894 1.00 0.00 C ATOM 1717 O LEU A 684 9.420 -6.419 -5.565 1.00 0.00 O ATOM 1718 CB LEU A 684 11.587 -4.452 -5.542 1.00 0.00 C ATOM 1719 CG LEU A 684 12.062 -4.414 -7.001 1.00 0.00 C ATOM 1720 CD1 LEU A 684 11.717 -5.725 -7.696 1.00 0.00 C ATOM 1721 CD2 LEU A 684 11.414 -3.238 -7.716 1.00 0.00 C ATOM 0 H LEU A 684 9.625 -4.766 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 684 9.860 -3.213 -5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 684 12.181 -3.744 -4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 684 11.789 -5.443 -5.136 1.00 0.00 H new ATOM 0 HG LEU A 684 13.144 -4.288 -7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 684 12.058 -5.689 -8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 684 12.208 -6.550 -7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 684 10.638 -5.875 -7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 684 11.752 -3.211 -8.752 1.00 0.00 H new ATOM 0 HD22 LEU A 684 10.330 -3.349 -7.690 1.00 0.00 H new ATOM 0 HD23 LEU A 684 11.696 -2.310 -7.219 1.00 0.00 H new ATOM 1733 N SER A 685 8.281 -4.878 -6.744 1.00 0.00 N ATOM 1734 CA SER A 685 7.354 -5.842 -7.322 1.00 0.00 C ATOM 1735 C SER A 685 7.979 -6.564 -8.509 1.00 0.00 C ATOM 1736 O SER A 685 8.878 -6.038 -9.164 1.00 0.00 O ATOM 1737 CB SER A 685 6.072 -5.148 -7.741 1.00 0.00 C ATOM 1738 OG SER A 685 6.262 -4.321 -8.856 1.00 0.00 O ATOM 0 H SER A 685 8.132 -3.916 -7.048 1.00 0.00 H new ATOM 0 HA SER A 685 7.121 -6.587 -6.561 1.00 0.00 H new ATOM 0 HB2 SER A 685 5.313 -5.896 -7.970 1.00 0.00 H new ATOM 0 HB3 SER A 685 5.693 -4.554 -6.909 1.00 0.00 H new ATOM 0 HG SER A 685 5.413 -3.894 -9.095 1.00 0.00 H new ATOM 1744 N VAL A 686 7.496 -7.772 -8.782 1.00 0.00 N ATOM 1745 CA VAL A 686 7.943 -8.530 -9.944 1.00 0.00 C ATOM 1746 C VAL A 686 7.652 -7.779 -11.237 1.00 0.00 C ATOM 1747 O VAL A 686 8.382 -7.911 -12.220 1.00 0.00 O ATOM 1748 CB VAL A 686 7.273 -9.916 -10.005 1.00 0.00 C ATOM 1749 CG1 VAL A 686 5.823 -9.788 -10.447 1.00 0.00 C ATOM 1750 CG2 VAL A 686 8.036 -10.836 -10.947 1.00 0.00 C ATOM 0 H VAL A 686 6.795 -8.247 -8.214 1.00 0.00 H new ATOM 0 HA VAL A 686 9.020 -8.661 -9.839 1.00 0.00 H new ATOM 0 HB VAL A 686 7.292 -10.351 -9.006 1.00 0.00 H new ATOM 0 HG11 VAL A 686 5.365 -10.777 -10.485 1.00 0.00 H new ATOM 0 HG12 VAL A 686 5.280 -9.164 -9.737 1.00 0.00 H new ATOM 0 HG13 VAL A 686 5.783 -9.332 -11.436 1.00 0.00 H new ATOM 0 HG21 VAL A 686 7.549 -11.811 -10.978 1.00 0.00 H new ATOM 0 HG22 VAL A 686 8.047 -10.404 -11.948 1.00 0.00 H new ATOM 0 HG23 VAL A 686 9.060 -10.953 -10.591 1.00 0.00 H new ATOM 1760 N ASP A 687 6.583 -6.991 -11.230 1.00 0.00 N ATOM 1761 CA ASP A 687 6.243 -6.151 -12.372 1.00 0.00 C ATOM 1762 C ASP A 687 7.287 -5.062 -12.585 1.00 0.00 C ATOM 1763 O ASP A 687 7.697 -4.794 -13.714 1.00 0.00 O ATOM 1764 CB ASP A 687 4.860 -5.522 -12.183 1.00 0.00 C ATOM 1765 CG ASP A 687 3.700 -6.498 -12.332 1.00 0.00 C ATOM 1766 OD1 ASP A 687 3.922 -7.586 -12.806 1.00 0.00 O ATOM 1767 OD2 ASP A 687 2.640 -6.210 -11.829 1.00 0.00 O ATOM 0 H ASP A 687 5.936 -6.916 -10.445 1.00 0.00 H new ATOM 0 HA ASP A 687 6.226 -6.786 -13.258 1.00 0.00 H new ATOM 0 HB2 ASP A 687 4.813 -5.068 -11.193 1.00 0.00 H new ATOM 0 HB3 ASP A 687 4.738 -4.718 -12.908 1.00 0.00 H new ATOM 1772 N ASN A 688 7.715 -4.438 -11.493 1.00 0.00 N ATOM 1773 CA ASN A 688 8.772 -3.435 -11.548 1.00 0.00 C ATOM 1774 C ASN A 688 10.080 -4.040 -12.041 1.00 0.00 C ATOM 1775 O ASN A 688 10.808 -3.420 -12.816 1.00 0.00 O ATOM 1776 CB ASN A 688 8.977 -2.770 -10.199 1.00 0.00 C ATOM 1777 CG ASN A 688 7.914 -1.765 -9.852 1.00 0.00 C ATOM 1778 OD1 ASN A 688 7.206 -1.252 -10.726 1.00 0.00 O ATOM 1779 ND2 ASN A 688 7.852 -1.422 -8.590 1.00 0.00 N ATOM 0 H ASN A 688 7.346 -4.609 -10.558 1.00 0.00 H new ATOM 0 HA ASN A 688 8.455 -2.672 -12.259 1.00 0.00 H new ATOM 0 HB2 ASN A 688 9.005 -3.538 -9.426 1.00 0.00 H new ATOM 0 HB3 ASN A 688 9.948 -2.275 -10.192 1.00 0.00 H new ATOM 0 HD21 ASN A 688 7.197 -0.700 -8.289 1.00 0.00 H new ATOM 0 HD22 ASN A 688 8.459 -1.876 -7.908 1.00 0.00 H new ATOM 1786 N PHE A 689 10.373 -5.254 -11.587 1.00 0.00 N ATOM 1787 CA PHE A 689 11.541 -5.987 -12.059 1.00 0.00 C ATOM 1788 C PHE A 689 11.469 -6.229 -13.562 1.00 0.00 C ATOM 1789 O PHE A 689 12.440 -6.002 -14.284 1.00 0.00 O ATOM 1790 CB PHE A 689 11.672 -7.319 -11.318 1.00 0.00 C ATOM 1791 CG PHE A 689 12.875 -8.122 -11.722 1.00 0.00 C ATOM 1792 CD1 PHE A 689 14.137 -7.793 -11.250 1.00 0.00 C ATOM 1793 CD2 PHE A 689 12.748 -9.207 -12.576 1.00 0.00 C ATOM 1794 CE1 PHE A 689 15.245 -8.532 -11.622 1.00 0.00 C ATOM 1795 CE2 PHE A 689 13.853 -9.947 -12.949 1.00 0.00 C ATOM 1796 CZ PHE A 689 15.103 -9.608 -12.471 1.00 0.00 C ATOM 0 H PHE A 689 9.816 -5.751 -10.892 1.00 0.00 H new ATOM 0 HA PHE A 689 12.422 -5.379 -11.853 1.00 0.00 H new ATOM 0 HB2 PHE A 689 11.720 -7.125 -10.247 1.00 0.00 H new ATOM 0 HB3 PHE A 689 10.775 -7.912 -11.495 1.00 0.00 H new ATOM 0 HD1 PHE A 689 14.256 -6.951 -10.585 1.00 0.00 H new ATOM 0 HD2 PHE A 689 11.773 -9.477 -12.954 1.00 0.00 H new ATOM 0 HE1 PHE A 689 16.222 -8.266 -11.247 1.00 0.00 H new ATOM 0 HE2 PHE A 689 13.739 -10.790 -13.614 1.00 0.00 H new ATOM 0 HZ PHE A 689 15.968 -10.185 -12.762 1.00 0.00 H new ATOM 1806 N ASN A 690 10.313 -6.691 -14.027 1.00 0.00 N ATOM 1807 CA ASN A 690 10.124 -6.998 -15.439 1.00 0.00 C ATOM 1808 C ASN A 690 10.172 -5.734 -16.289 1.00 0.00 C ATOM 1809 O ASN A 690 10.650 -5.755 -17.423 1.00 0.00 O ATOM 1810 CB ASN A 690 8.821 -7.740 -15.676 1.00 0.00 C ATOM 1811 CG ASN A 690 8.847 -9.171 -15.215 1.00 0.00 C ATOM 1812 OD1 ASN A 690 9.914 -9.774 -15.058 1.00 0.00 O ATOM 1813 ND2 ASN A 690 7.677 -9.741 -15.078 1.00 0.00 N ATOM 0 H ASN A 690 9.492 -6.861 -13.445 1.00 0.00 H new ATOM 0 HA ASN A 690 10.946 -7.648 -15.740 1.00 0.00 H new ATOM 0 HB2 ASN A 690 8.016 -7.216 -15.160 1.00 0.00 H new ATOM 0 HB3 ASN A 690 8.587 -7.715 -16.740 1.00 0.00 H new ATOM 0 HD21 ASN A 690 7.617 -10.729 -14.830 1.00 0.00 H new ATOM 0 HD22 ASN A 690 6.825 -9.198 -15.219 1.00 0.00 H new ATOM 1820 N GLU A 691 9.675 -4.635 -15.733 1.00 0.00 N ATOM 1821 CA GLU A 691 9.680 -3.354 -16.430 1.00 0.00 C ATOM 1822 C GLU A 691 11.084 -2.981 -16.888 1.00 0.00 C ATOM 1823 O GLU A 691 11.287 -2.573 -18.031 1.00 0.00 O ATOM 1824 CB GLU A 691 9.109 -2.253 -15.533 1.00 0.00 C ATOM 1825 CG GLU A 691 7.589 -2.169 -15.531 1.00 0.00 C ATOM 1826 CD GLU A 691 7.100 -1.158 -14.532 1.00 0.00 C ATOM 1827 OE1 GLU A 691 7.521 -0.029 -14.602 1.00 0.00 O ATOM 1828 OE2 GLU A 691 6.221 -1.484 -13.769 1.00 0.00 O ATOM 0 H GLU A 691 9.263 -4.605 -14.800 1.00 0.00 H new ATOM 0 HA GLU A 691 9.049 -3.453 -17.313 1.00 0.00 H new ATOM 0 HB2 GLU A 691 9.453 -2.418 -14.512 1.00 0.00 H new ATOM 0 HB3 GLU A 691 9.513 -1.293 -15.854 1.00 0.00 H new ATOM 0 HG2 GLU A 691 7.236 -1.900 -16.527 1.00 0.00 H new ATOM 0 HG3 GLU A 691 7.169 -3.147 -15.297 1.00 0.00 H new ATOM 1835 N VAL A 692 12.051 -3.123 -15.988 1.00 0.00 N ATOM 1836 CA VAL A 692 13.446 -2.852 -16.313 1.00 0.00 C ATOM 1837 C VAL A 692 13.933 -3.749 -17.444 1.00 0.00 C ATOM 1838 O VAL A 692 14.668 -3.307 -18.327 1.00 0.00 O ATOM 1839 CB VAL A 692 14.360 -3.045 -15.088 1.00 0.00 C ATOM 1840 CG1 VAL A 692 15.823 -2.939 -15.493 1.00 0.00 C ATOM 1841 CG2 VAL A 692 14.031 -2.022 -14.011 1.00 0.00 C ATOM 0 H VAL A 692 11.894 -3.425 -15.026 1.00 0.00 H new ATOM 0 HA VAL A 692 13.497 -1.811 -16.632 1.00 0.00 H new ATOM 0 HB VAL A 692 14.186 -4.041 -14.682 1.00 0.00 H new ATOM 0 HG11 VAL A 692 16.454 -3.078 -14.615 1.00 0.00 H new ATOM 0 HG12 VAL A 692 16.053 -3.708 -16.231 1.00 0.00 H new ATOM 0 HG13 VAL A 692 16.011 -1.955 -15.923 1.00 0.00 H new ATOM 0 HG21 VAL A 692 14.686 -2.173 -13.153 1.00 0.00 H new ATOM 0 HG22 VAL A 692 14.178 -1.017 -14.407 1.00 0.00 H new ATOM 0 HG23 VAL A 692 12.993 -2.142 -13.700 1.00 0.00 H new ATOM 1851 N LEU A 693 13.519 -5.011 -17.411 1.00 0.00 N ATOM 1852 CA LEU A 693 13.917 -5.974 -18.430 1.00 0.00 C ATOM 1853 C LEU A 693 13.364 -5.592 -19.797 1.00 0.00 C ATOM 1854 O LEU A 693 14.036 -5.752 -20.816 1.00 0.00 O ATOM 1855 CB LEU A 693 13.450 -7.382 -18.040 1.00 0.00 C ATOM 1856 CG LEU A 693 14.019 -7.916 -16.719 1.00 0.00 C ATOM 1857 CD1 LEU A 693 13.467 -9.307 -16.437 1.00 0.00 C ATOM 1858 CD2 LEU A 693 15.538 -7.945 -16.795 1.00 0.00 C ATOM 0 H LEU A 693 12.907 -5.391 -16.689 1.00 0.00 H new ATOM 0 HA LEU A 693 15.005 -5.967 -18.495 1.00 0.00 H new ATOM 0 HB2 LEU A 693 12.362 -7.382 -17.975 1.00 0.00 H new ATOM 0 HB3 LEU A 693 13.721 -8.072 -18.839 1.00 0.00 H new ATOM 0 HG LEU A 693 13.721 -7.258 -15.902 1.00 0.00 H new ATOM 0 HD11 LEU A 693 13.877 -9.677 -15.497 1.00 0.00 H new ATOM 0 HD12 LEU A 693 12.380 -9.260 -16.365 1.00 0.00 H new ATOM 0 HD13 LEU A 693 13.748 -9.981 -17.246 1.00 0.00 H new ATOM 0 HD21 LEU A 693 15.942 -8.324 -15.856 1.00 0.00 H new ATOM 0 HD22 LEU A 693 15.849 -8.595 -17.613 1.00 0.00 H new ATOM 0 HD23 LEU A 693 15.913 -6.937 -16.970 1.00 0.00 H new ATOM 1870 N GLU A 694 12.135 -5.086 -19.812 1.00 0.00 N ATOM 1871 CA GLU A 694 11.511 -4.625 -21.046 1.00 0.00 C ATOM 1872 C GLU A 694 12.177 -3.354 -21.558 1.00 0.00 C ATOM 1873 O GLU A 694 12.382 -3.191 -22.761 1.00 0.00 O ATOM 1874 CB GLU A 694 10.015 -4.386 -20.833 1.00 0.00 C ATOM 1875 CG GLU A 694 9.201 -5.653 -20.611 1.00 0.00 C ATOM 1876 CD GLU A 694 7.773 -5.333 -20.267 1.00 0.00 C ATOM 1877 OE1 GLU A 694 7.459 -4.174 -20.138 1.00 0.00 O ATOM 1878 OE2 GLU A 694 6.972 -6.236 -20.244 1.00 0.00 O ATOM 0 H GLU A 694 11.551 -4.985 -18.982 1.00 0.00 H new ATOM 0 HA GLU A 694 11.641 -5.404 -21.797 1.00 0.00 H new ATOM 0 HB2 GLU A 694 9.883 -3.729 -19.973 1.00 0.00 H new ATOM 0 HB3 GLU A 694 9.616 -3.860 -21.700 1.00 0.00 H new ATOM 0 HG2 GLU A 694 9.231 -6.269 -21.510 1.00 0.00 H new ATOM 0 HG3 GLU A 694 9.648 -6.239 -19.808 1.00 0.00 H new ATOM 1885 N GLU A 695 12.512 -2.456 -20.639 1.00 0.00 N ATOM 1886 CA GLU A 695 13.103 -1.173 -21.000 1.00 0.00 C ATOM 1887 C GLU A 695 14.472 -1.359 -21.642 1.00 0.00 C ATOM 1888 O GLU A 695 14.803 -0.697 -22.626 1.00 0.00 O ATOM 1889 CB GLU A 695 13.217 -0.270 -19.770 1.00 0.00 C ATOM 1890 CG GLU A 695 11.893 0.306 -19.288 1.00 0.00 C ATOM 1891 CD GLU A 695 12.057 1.035 -17.983 1.00 0.00 C ATOM 1892 OE1 GLU A 695 13.137 1.012 -17.444 1.00 0.00 O ATOM 1893 OE2 GLU A 695 11.137 1.707 -17.582 1.00 0.00 O ATOM 0 H GLU A 695 12.384 -2.593 -19.636 1.00 0.00 H new ATOM 0 HA GLU A 695 12.447 -0.697 -21.728 1.00 0.00 H new ATOM 0 HB2 GLU A 695 13.669 -0.839 -18.957 1.00 0.00 H new ATOM 0 HB3 GLU A 695 13.895 0.552 -19.999 1.00 0.00 H new ATOM 0 HG2 GLU A 695 11.495 0.987 -20.040 1.00 0.00 H new ATOM 0 HG3 GLU A 695 11.166 -0.498 -19.169 1.00 0.00 H new ATOM 1900 N TYR A 696 15.266 -2.264 -21.078 1.00 0.00 N ATOM 1901 CA TYR A 696 16.619 -2.505 -21.565 1.00 0.00 C ATOM 1902 C TYR A 696 16.791 -3.948 -22.021 1.00 0.00 C ATOM 1903 O TYR A 696 17.013 -4.844 -21.207 1.00 0.00 O ATOM 1904 CB TYR A 696 17.646 -2.172 -20.480 1.00 0.00 C ATOM 1905 CG TYR A 696 17.602 -0.733 -20.016 1.00 0.00 C ATOM 1906 CD1 TYR A 696 16.783 -0.347 -18.964 1.00 0.00 C ATOM 1907 CD2 TYR A 696 18.381 0.236 -20.630 1.00 0.00 C ATOM 1908 CE1 TYR A 696 16.739 0.966 -18.536 1.00 0.00 C ATOM 1909 CE2 TYR A 696 18.346 1.552 -20.211 1.00 0.00 C ATOM 1910 CZ TYR A 696 17.523 1.913 -19.163 1.00 0.00 C ATOM 1911 OH TYR A 696 17.485 3.222 -18.741 1.00 0.00 O ATOM 0 H TYR A 696 14.995 -2.843 -20.283 1.00 0.00 H new ATOM 0 HA TYR A 696 16.785 -1.854 -22.423 1.00 0.00 H new ATOM 0 HB2 TYR A 696 17.480 -2.825 -19.623 1.00 0.00 H new ATOM 0 HB3 TYR A 696 18.644 -2.391 -20.859 1.00 0.00 H new ATOM 0 HD1 TYR A 696 16.169 -1.086 -18.471 1.00 0.00 H new ATOM 0 HD2 TYR A 696 19.026 -0.043 -21.450 1.00 0.00 H new ATOM 0 HE1 TYR A 696 16.095 1.249 -17.716 1.00 0.00 H new ATOM 0 HE2 TYR A 696 18.959 2.294 -20.701 1.00 0.00 H new ATOM 0 HH TYR A 696 18.097 3.759 -19.286 1.00 0.00 H new ATOM 1921 N PRO A 697 16.689 -4.166 -23.328 1.00 0.00 N ATOM 1922 CA PRO A 697 16.860 -5.497 -23.898 1.00 0.00 C ATOM 1923 C PRO A 697 18.191 -6.108 -23.482 1.00 0.00 C ATOM 1924 O PRO A 697 18.305 -7.324 -23.326 1.00 0.00 O ATOM 1925 CB PRO A 697 16.778 -5.269 -25.411 1.00 0.00 C ATOM 1926 CG PRO A 697 15.921 -4.058 -25.559 1.00 0.00 C ATOM 1927 CD PRO A 697 16.304 -3.157 -24.415 1.00 0.00 C ATOM 0 HA PRO A 697 16.106 -6.204 -23.552 1.00 0.00 H new ATOM 0 HB2 PRO A 697 17.766 -5.111 -25.843 1.00 0.00 H new ATOM 0 HB3 PRO A 697 16.342 -6.129 -25.919 1.00 0.00 H new ATOM 0 HG2 PRO A 697 16.092 -3.570 -26.518 1.00 0.00 H new ATOM 0 HG3 PRO A 697 14.863 -4.318 -25.518 1.00 0.00 H new ATOM 0 HD2 PRO A 697 17.134 -2.500 -24.674 1.00 0.00 H new ATOM 0 HD3 PRO A 697 15.477 -2.519 -24.104 1.00 0.00 H new ATOM 1935 N MET A 698 19.197 -5.258 -23.303 1.00 0.00 N ATOM 1936 CA MET A 698 20.530 -5.715 -22.929 1.00 0.00 C ATOM 1937 C MET A 698 20.516 -6.396 -21.567 1.00 0.00 C ATOM 1938 O MET A 698 21.290 -7.320 -21.316 1.00 0.00 O ATOM 1939 CB MET A 698 21.508 -4.543 -22.925 1.00 0.00 C ATOM 1940 CG MET A 698 21.798 -3.960 -24.301 1.00 0.00 C ATOM 1941 SD MET A 698 22.521 -5.167 -25.429 1.00 0.00 S ATOM 1942 CE MET A 698 24.128 -5.413 -24.678 1.00 0.00 C ATOM 0 H MET A 698 19.114 -4.247 -23.411 1.00 0.00 H new ATOM 0 HA MET A 698 20.856 -6.447 -23.668 1.00 0.00 H new ATOM 0 HB2 MET A 698 21.109 -3.755 -22.287 1.00 0.00 H new ATOM 0 HB3 MET A 698 22.446 -4.870 -22.478 1.00 0.00 H new ATOM 0 HG2 MET A 698 20.873 -3.576 -24.731 1.00 0.00 H new ATOM 0 HG3 MET A 698 22.477 -3.114 -24.197 1.00 0.00 H new ATOM 0 HE1 MET A 698 24.776 -5.947 -25.373 1.00 0.00 H new ATOM 0 HE2 MET A 698 24.570 -4.446 -24.440 1.00 0.00 H new ATOM 0 HE3 MET A 698 24.017 -5.996 -23.764 1.00 0.00 H new ATOM 1952 N MET A 699 19.633 -5.933 -20.688 1.00 0.00 N ATOM 1953 CA MET A 699 19.507 -6.506 -19.354 1.00 0.00 C ATOM 1954 C MET A 699 18.385 -7.535 -19.300 1.00 0.00 C ATOM 1955 O MET A 699 18.342 -8.375 -18.401 1.00 0.00 O ATOM 1956 CB MET A 699 19.263 -5.403 -18.326 1.00 0.00 C ATOM 1957 CG MET A 699 20.404 -4.405 -18.190 1.00 0.00 C ATOM 1958 SD MET A 699 21.866 -5.123 -17.415 1.00 0.00 S ATOM 1959 CE MET A 699 22.881 -5.458 -18.852 1.00 0.00 C ATOM 0 H MET A 699 18.993 -5.161 -20.877 1.00 0.00 H new ATOM 0 HA MET A 699 20.442 -7.014 -19.115 1.00 0.00 H new ATOM 0 HB2 MET A 699 18.356 -4.864 -18.598 1.00 0.00 H new ATOM 0 HB3 MET A 699 19.081 -5.863 -17.355 1.00 0.00 H new ATOM 0 HG2 MET A 699 20.670 -4.026 -19.177 1.00 0.00 H new ATOM 0 HG3 MET A 699 20.067 -3.552 -17.601 1.00 0.00 H new ATOM 0 HE1 MET A 699 23.933 -5.370 -18.583 1.00 0.00 H new ATOM 0 HE2 MET A 699 22.682 -6.468 -19.211 1.00 0.00 H new ATOM 0 HE3 MET A 699 22.646 -4.741 -19.638 1.00 0.00 H new ATOM 1969 N ARG A 700 17.477 -7.464 -20.268 1.00 0.00 N ATOM 1970 CA ARG A 700 16.359 -8.396 -20.339 1.00 0.00 C ATOM 1971 C ARG A 700 16.827 -9.833 -20.151 1.00 0.00 C ATOM 1972 O ARG A 700 16.321 -10.554 -19.291 1.00 0.00 O ATOM 1973 CB ARG A 700 15.558 -8.235 -21.623 1.00 0.00 C ATOM 1974 CG ARG A 700 14.207 -8.933 -21.627 1.00 0.00 C ATOM 1975 CD ARG A 700 13.382 -8.664 -22.832 1.00 0.00 C ATOM 1976 NE ARG A 700 13.035 -7.266 -23.026 1.00 0.00 N ATOM 1977 CZ ARG A 700 12.524 -6.755 -24.163 1.00 0.00 C ATOM 1978 NH1 ARG A 700 12.334 -7.512 -25.220 1.00 0.00 N ATOM 1979 NH2 ARG A 700 12.241 -5.464 -24.195 1.00 0.00 N ATOM 0 H ARG A 700 17.494 -6.769 -21.015 1.00 0.00 H new ATOM 0 HA ARG A 700 15.687 -8.153 -19.516 1.00 0.00 H new ATOM 0 HB2 ARG A 700 15.402 -7.172 -21.806 1.00 0.00 H new ATOM 0 HB3 ARG A 700 16.151 -8.617 -22.454 1.00 0.00 H new ATOM 0 HG2 ARG A 700 14.367 -10.008 -21.543 1.00 0.00 H new ATOM 0 HG3 ARG A 700 13.649 -8.624 -20.743 1.00 0.00 H new ATOM 0 HD2 ARG A 700 13.921 -9.017 -23.712 1.00 0.00 H new ATOM 0 HD3 ARG A 700 12.464 -9.247 -22.765 1.00 0.00 H new ATOM 0 HE ARG A 700 13.189 -6.627 -22.246 1.00 0.00 H new ATOM 0 HH11 ARG A 700 12.574 -8.503 -25.188 1.00 0.00 H new ATOM 0 HH12 ARG A 700 11.946 -7.109 -26.073 1.00 0.00 H new ATOM 0 HH21 ARG A 700 12.411 -4.884 -23.373 1.00 0.00 H new ATOM 0 HH22 ARG A 700 11.853 -5.048 -25.042 1.00 0.00 H new