USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 739 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: B 550 SER OG : rot 180:sc= -0.254 USER MOD Set 1.2: B 551 SER OG : rot 180:sc= 0 USER MOD Set 2.1: B 547 SER OG : rot -33:sc= 0.251 USER MOD Set 2.2: B 548 GLN : amide:sc= -0.0963 X(o=0.16,f=0.13) USER MOD Set 3.1: A 605 HIS : no HD1:sc= 0 K(o=-1.3,f=-0.012) USER MOD Set 3.2: A 609 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.012) USER MOD Set 4.1: A 601 SER OG : rot -66:sc= 1.22 USER MOD Set 4.2: A 602 HIS : no HD1:sc= 0 X(o=1.2,f=1.1) USER MOD Single : A 592 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 594 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 596 THR OG1 : rot -140:sc= -0.75 USER MOD Single : A 597 GLN : amide:sc= -1.11! K(o=-1.1!,f=0) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 THR OG1 : rot 40:sc= 0.213 USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl -123:sc= -0.212 (180deg=-2.42!) USER MOD Single : A 627 ASN : amide:sc= 0.136 K(o=0.14,f=-2.9!) USER MOD Single : A 631 TYR OH : rot 165:sc= 0 USER MOD Single : A 633 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 MET CE :methyl -143:sc= -4.22 (180deg=-7.73!) USER MOD Single : A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 SER OG : rot 180:sc= -0.224 USER MOD Single : A 644 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 645 SER OG : rot 180:sc= -0.0735 USER MOD Single : A 649 TYR OH : rot -177:sc= 1.11 USER MOD Single : A 650 TYR OH : rot 180:sc= 0 USER MOD Single : A 651 HIS : no HE2:sc= 0.0031 X(o=0.0031,f=-0.097) USER MOD Single : A 656 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0362) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 662 LYS NZ :NH3+ 169:sc= -0.0382 (180deg=-0.187) USER MOD Single : B 536 SER OG : rot -32:sc= 0.0686 USER MOD Single : B 540 MET CE :methyl -169:sc=-0.00191 (180deg=-0.153) USER MOD Single : B 543 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLY A 590 24.215 -5.415 4.134 1.00 25.00 N ATOM 73 CA GLY A 590 23.595 -6.499 4.897 1.00 25.00 C ATOM 74 C GLY A 590 22.096 -6.676 4.668 1.00 25.00 C ATOM 75 O GLY A 590 21.553 -7.735 4.993 1.00 25.00 O ATOM 0 HA2 GLY A 590 24.098 -7.433 4.646 1.00 25.00 H new ATOM 0 HA3 GLY A 590 23.766 -6.320 5.958 1.00 25.00 H new ATOM 79 N TRP A 591 21.426 -5.647 4.121 1.00 25.00 N ATOM 80 CA TRP A 591 19.965 -5.682 3.896 1.00 25.00 C ATOM 81 C TRP A 591 19.561 -6.677 2.797 1.00 25.00 C ATOM 82 O TRP A 591 18.515 -7.318 2.895 1.00 25.00 O ATOM 83 CB TRP A 591 19.415 -4.266 3.586 1.00 25.00 C ATOM 84 CG TRP A 591 19.742 -3.688 2.218 1.00 25.00 C ATOM 85 CD1 TRP A 591 20.717 -2.781 1.903 1.00 25.00 C ATOM 86 CD2 TRP A 591 19.059 -3.973 0.984 1.00 25.00 C ATOM 87 NE1 TRP A 591 20.687 -2.492 0.561 1.00 25.00 N ATOM 88 CE2 TRP A 591 19.680 -3.209 -0.026 1.00 25.00 C ATOM 89 CE3 TRP A 591 17.985 -4.801 0.630 1.00 25.00 C ATOM 90 CZ2 TRP A 591 19.265 -3.249 -1.355 1.00 25.00 C ATOM 91 CZ3 TRP A 591 17.575 -4.839 -0.690 1.00 25.00 C ATOM 92 CH2 TRP A 591 18.213 -4.067 -1.667 1.00 25.00 C ATOM 0 H TRP A 591 21.871 -4.778 3.825 1.00 25.00 H new ATOM 0 HA TRP A 591 19.515 -6.034 4.824 1.00 25.00 H new ATOM 0 HB2 TRP A 591 18.331 -4.292 3.694 1.00 25.00 H new ATOM 0 HB3 TRP A 591 19.794 -3.581 4.344 1.00 25.00 H new ATOM 0 HD1 TRP A 591 21.412 -2.353 2.610 1.00 25.00 H new ATOM 0 HE1 TRP A 591 21.314 -1.847 0.080 1.00 25.00 H new ATOM 0 HE3 TRP A 591 17.485 -5.400 1.377 1.00 25.00 H new ATOM 0 HZ2 TRP A 591 19.756 -2.656 -2.112 1.00 25.00 H new ATOM 0 HZ3 TRP A 591 16.749 -5.475 -0.971 1.00 25.00 H new ATOM 0 HH2 TRP A 591 17.868 -4.118 -2.689 1.00 25.00 H new ATOM 103 N HIS A 592 20.408 -6.810 1.771 1.00 25.00 N ATOM 104 CA HIS A 592 20.167 -7.751 0.668 1.00 25.00 C ATOM 105 C HIS A 592 20.415 -9.211 1.108 1.00 25.00 C ATOM 106 O HIS A 592 20.024 -10.150 0.407 1.00 25.00 O ATOM 107 CB HIS A 592 21.068 -7.384 -0.527 1.00 25.00 C ATOM 108 CG HIS A 592 22.215 -8.330 -0.768 1.00 25.00 C ATOM 109 ND1 HIS A 592 23.392 -8.282 -0.049 1.00 25.00 N ATOM 110 CD2 HIS A 592 22.362 -9.344 -1.655 1.00 25.00 C ATOM 111 CE1 HIS A 592 24.212 -9.222 -0.484 1.00 25.00 C ATOM 112 NE2 HIS A 592 23.610 -9.882 -1.458 1.00 25.00 N ATOM 0 H HIS A 592 21.272 -6.275 1.680 1.00 25.00 H new ATOM 0 HA HIS A 592 19.122 -7.674 0.369 1.00 25.00 H new ATOM 0 HB2 HIS A 592 20.455 -7.343 -1.427 1.00 25.00 H new ATOM 0 HB3 HIS A 592 21.469 -6.383 -0.368 1.00 25.00 H new ATOM 0 HD2 HIS A 592 21.633 -9.669 -2.382 1.00 25.00 H new ATOM 0 HE1 HIS A 592 25.205 -9.418 -0.108 1.00 25.00 H new ATOM 0 HE2 HIS A 592 24.008 -10.664 -1.979 1.00 25.00 H new ATOM 121 N GLU A 593 21.056 -9.382 2.274 1.00 25.00 N ATOM 122 CA GLU A 593 21.372 -10.711 2.813 1.00 25.00 C ATOM 123 C GLU A 593 20.180 -11.331 3.555 1.00 25.00 C ATOM 124 O GLU A 593 20.084 -12.559 3.654 1.00 25.00 O ATOM 125 CB GLU A 593 22.588 -10.638 3.749 1.00 25.00 C ATOM 126 CG GLU A 593 23.921 -10.427 3.038 1.00 25.00 C ATOM 127 CD GLU A 593 25.107 -10.337 3.986 1.00 25.00 C ATOM 128 OE1 GLU A 593 24.882 -10.272 5.214 1.00 25.00 O ATOM 129 OE2 GLU A 593 26.258 -10.333 3.501 1.00 25.00 O ATOM 0 H GLU A 593 21.367 -8.610 2.864 1.00 25.00 H new ATOM 0 HA GLU A 593 21.606 -11.353 1.964 1.00 25.00 H new ATOM 0 HB2 GLU A 593 22.436 -9.825 4.459 1.00 25.00 H new ATOM 0 HB3 GLU A 593 22.641 -11.560 4.328 1.00 25.00 H new ATOM 0 HG2 GLU A 593 24.085 -11.248 2.340 1.00 25.00 H new ATOM 0 HG3 GLU A 593 23.868 -9.512 2.447 1.00 25.00 H new ATOM 136 N HIS A 594 19.277 -10.480 4.068 1.00 25.00 N ATOM 137 CA HIS A 594 18.096 -10.955 4.798 1.00 25.00 C ATOM 138 C HIS A 594 16.784 -10.703 4.042 1.00 25.00 C ATOM 139 O HIS A 594 15.806 -11.423 4.268 1.00 25.00 O ATOM 140 CB HIS A 594 18.016 -10.356 6.220 1.00 25.00 C ATOM 141 CG HIS A 594 19.175 -10.664 7.124 1.00 25.00 C ATOM 142 ND1 HIS A 594 19.437 -11.930 7.602 1.00 25.00 N ATOM 143 CD2 HIS A 594 20.112 -9.858 7.668 1.00 25.00 C ATOM 144 CE1 HIS A 594 20.485 -11.887 8.401 1.00 25.00 C ATOM 145 NE2 HIS A 594 20.915 -10.641 8.460 1.00 25.00 N ATOM 0 H HIS A 594 19.343 -9.465 3.990 1.00 25.00 H new ATOM 0 HA HIS A 594 18.221 -12.034 4.884 1.00 25.00 H new ATOM 0 HB2 HIS A 594 17.925 -9.273 6.133 1.00 25.00 H new ATOM 0 HB3 HIS A 594 17.103 -10.716 6.695 1.00 25.00 H new ATOM 0 HD2 HIS A 594 20.211 -8.794 7.509 1.00 25.00 H new ATOM 0 HE1 HIS A 594 20.918 -12.729 8.920 1.00 25.00 H new ATOM 0 HE2 HIS A 594 21.713 -10.313 9.004 1.00 25.00 H new ATOM 154 N VAL A 595 16.752 -9.695 3.145 1.00 25.00 N ATOM 155 CA VAL A 595 15.539 -9.431 2.352 1.00 25.00 C ATOM 156 C VAL A 595 15.480 -10.403 1.166 1.00 25.00 C ATOM 157 O VAL A 595 16.415 -10.482 0.363 1.00 25.00 O ATOM 158 CB VAL A 595 15.442 -7.949 1.846 1.00 25.00 C ATOM 159 CG1 VAL A 595 14.237 -7.730 0.926 1.00 25.00 C ATOM 160 CG2 VAL A 595 15.355 -6.984 3.016 1.00 25.00 C ATOM 0 H VAL A 595 17.533 -9.066 2.956 1.00 25.00 H new ATOM 0 HA VAL A 595 14.684 -9.587 3.010 1.00 25.00 H new ATOM 0 HB VAL A 595 16.350 -7.756 1.275 1.00 25.00 H new ATOM 0 HG11 VAL A 595 14.212 -6.690 0.601 1.00 25.00 H new ATOM 0 HG12 VAL A 595 14.321 -8.380 0.055 1.00 25.00 H new ATOM 0 HG13 VAL A 595 13.320 -7.964 1.466 1.00 25.00 H new ATOM 0 HG21 VAL A 595 15.289 -5.963 2.641 1.00 25.00 H new ATOM 0 HG22 VAL A 595 14.469 -7.211 3.610 1.00 25.00 H new ATOM 0 HG23 VAL A 595 16.244 -7.085 3.638 1.00 25.00 H new ATOM 170 N THR A 596 14.368 -11.132 1.082 1.00 25.00 N ATOM 171 CA THR A 596 14.167 -12.141 0.042 1.00 25.00 C ATOM 172 C THR A 596 13.045 -11.745 -0.916 1.00 25.00 C ATOM 173 O THR A 596 12.495 -10.642 -0.829 1.00 25.00 O ATOM 174 CB THR A 596 13.840 -13.535 0.643 1.00 25.00 C ATOM 175 OG1 THR A 596 12.593 -13.494 1.349 1.00 25.00 O ATOM 176 CG2 THR A 596 14.933 -14.010 1.583 1.00 25.00 C ATOM 0 H THR A 596 13.585 -11.041 1.729 1.00 25.00 H new ATOM 0 HA THR A 596 15.107 -12.201 -0.506 1.00 25.00 H new ATOM 0 HB THR A 596 13.770 -14.238 -0.187 1.00 25.00 H new ATOM 0 HG1 THR A 596 12.665 -14.024 2.170 1.00 25.00 H new ATOM 0 HG21 THR A 596 14.668 -14.989 1.984 1.00 25.00 H new ATOM 0 HG22 THR A 596 15.875 -14.083 1.039 1.00 25.00 H new ATOM 0 HG23 THR A 596 15.042 -13.300 2.403 1.00 25.00 H new ATOM 184 N GLN A 597 12.723 -12.664 -1.832 1.00 25.00 N ATOM 185 CA GLN A 597 11.525 -12.568 -2.670 1.00 25.00 C ATOM 186 C GLN A 597 10.268 -12.818 -1.816 1.00 25.00 C ATOM 187 O GLN A 597 9.152 -12.475 -2.217 1.00 25.00 O ATOM 188 CB GLN A 597 11.579 -13.591 -3.825 1.00 25.00 C ATOM 189 CG GLN A 597 12.728 -13.407 -4.825 1.00 25.00 C ATOM 190 CD GLN A 597 12.753 -14.456 -5.930 1.00 25.00 C ATOM 191 OE1 GLN A 597 13.659 -14.475 -6.764 1.00 25.00 O ATOM 192 NE2 GLN A 597 11.769 -15.349 -5.927 1.00 25.00 N ATOM 0 H GLN A 597 13.286 -13.495 -2.013 1.00 25.00 H new ATOM 0 HA GLN A 597 11.484 -11.566 -3.096 1.00 25.00 H new ATOM 0 HB2 GLN A 597 11.651 -14.591 -3.397 1.00 25.00 H new ATOM 0 HB3 GLN A 597 10.636 -13.545 -4.371 1.00 25.00 H new ATOM 0 HG2 GLN A 597 12.650 -12.418 -5.277 1.00 25.00 H new ATOM 0 HG3 GLN A 597 13.675 -13.437 -4.286 1.00 25.00 H new ATOM 0 HE21 GLN A 597 11.037 -15.299 -5.219 1.00 25.00 H new ATOM 0 HE22 GLN A 597 11.746 -16.085 -6.633 1.00 25.00 H new ATOM 201 N ASP A 598 10.477 -13.426 -0.630 1.00 25.00 N ATOM 202 CA ASP A 598 9.393 -13.745 0.299 1.00 25.00 C ATOM 203 C ASP A 598 8.992 -12.535 1.155 1.00 25.00 C ATOM 204 O ASP A 598 7.801 -12.344 1.421 1.00 25.00 O ATOM 205 CB ASP A 598 9.793 -14.919 1.199 1.00 25.00 C ATOM 206 CG ASP A 598 9.730 -16.258 0.484 1.00 25.00 C ATOM 207 OD1 ASP A 598 9.093 -16.328 -0.588 1.00 25.00 O ATOM 208 OD2 ASP A 598 10.315 -17.233 0.999 1.00 25.00 O ATOM 0 H ASP A 598 11.400 -13.705 -0.298 1.00 25.00 H new ATOM 0 HA ASP A 598 8.525 -14.026 -0.298 1.00 25.00 H new ATOM 0 HB2 ASP A 598 10.805 -14.758 1.570 1.00 25.00 H new ATOM 0 HB3 ASP A 598 9.135 -14.945 2.068 1.00 25.00 H new ATOM 213 N LEU A 599 9.980 -11.718 1.590 1.00 25.00 N ATOM 214 CA LEU A 599 9.687 -10.481 2.338 1.00 25.00 C ATOM 215 C LEU A 599 8.906 -9.469 1.495 1.00 25.00 C ATOM 216 O LEU A 599 7.960 -8.858 1.989 1.00 25.00 O ATOM 217 CB LEU A 599 10.974 -9.817 2.889 1.00 25.00 C ATOM 218 CG LEU A 599 11.142 -9.789 4.427 1.00 25.00 C ATOM 219 CD1 LEU A 599 12.521 -9.277 4.801 1.00 25.00 C ATOM 220 CD2 LEU A 599 10.104 -8.915 5.118 1.00 25.00 C ATOM 0 H LEU A 599 10.973 -11.893 1.437 1.00 25.00 H new ATOM 0 HA LEU A 599 9.064 -10.782 3.180 1.00 25.00 H new ATOM 0 HB2 LEU A 599 11.833 -10.336 2.463 1.00 25.00 H new ATOM 0 HB3 LEU A 599 11.009 -8.790 2.525 1.00 25.00 H new ATOM 0 HG LEU A 599 11.006 -10.816 4.765 1.00 25.00 H new ATOM 0 HD11 LEU A 599 12.622 -9.264 5.886 1.00 25.00 H new ATOM 0 HD12 LEU A 599 13.280 -9.932 4.374 1.00 25.00 H new ATOM 0 HD13 LEU A 599 12.652 -8.267 4.412 1.00 25.00 H new ATOM 0 HD21 LEU A 599 10.271 -8.934 6.195 1.00 25.00 H new ATOM 0 HD22 LEU A 599 10.191 -7.891 4.755 1.00 25.00 H new ATOM 0 HD23 LEU A 599 9.106 -9.294 4.899 1.00 25.00 H new ATOM 232 N ARG A 600 9.279 -9.325 0.215 1.00 25.00 N ATOM 233 CA ARG A 600 8.640 -8.346 -0.681 1.00 25.00 C ATOM 234 C ARG A 600 7.146 -8.660 -0.918 1.00 25.00 C ATOM 235 O ARG A 600 6.372 -7.769 -1.267 1.00 25.00 O ATOM 236 CB ARG A 600 9.409 -8.252 -2.023 1.00 25.00 C ATOM 237 CG ARG A 600 10.812 -7.647 -1.934 1.00 25.00 C ATOM 238 CD ARG A 600 11.485 -7.559 -3.301 1.00 25.00 C ATOM 239 NE ARG A 600 12.846 -7.007 -3.224 1.00 25.00 N ATOM 240 CZ ARG A 600 13.745 -7.045 -4.219 1.00 25.00 C ATOM 241 NH1 ARG A 600 13.452 -7.602 -5.395 1.00 25.00 N ATOM 242 NH2 ARG A 600 14.948 -6.519 -4.034 1.00 25.00 N ATOM 0 H ARG A 600 10.019 -9.873 -0.224 1.00 25.00 H new ATOM 0 HA ARG A 600 8.684 -7.376 -0.187 1.00 25.00 H new ATOM 0 HB2 ARG A 600 9.489 -9.253 -2.447 1.00 25.00 H new ATOM 0 HB3 ARG A 600 8.819 -7.657 -2.720 1.00 25.00 H new ATOM 0 HG2 ARG A 600 10.750 -6.651 -1.496 1.00 25.00 H new ATOM 0 HG3 ARG A 600 11.426 -8.251 -1.266 1.00 25.00 H new ATOM 0 HD2 ARG A 600 11.524 -8.552 -3.748 1.00 25.00 H new ATOM 0 HD3 ARG A 600 10.881 -6.936 -3.961 1.00 25.00 H new ATOM 0 HE ARG A 600 13.127 -6.563 -2.350 1.00 25.00 H new ATOM 0 HH11 ARG A 600 12.530 -8.009 -5.551 1.00 25.00 H new ATOM 0 HH12 ARG A 600 14.150 -7.620 -6.139 1.00 25.00 H new ATOM 0 HH21 ARG A 600 15.185 -6.089 -3.140 1.00 25.00 H new ATOM 0 HH22 ARG A 600 15.637 -6.544 -4.786 1.00 25.00 H new ATOM 256 N SER A 601 6.765 -9.932 -0.720 1.00 25.00 N ATOM 257 CA SER A 601 5.380 -10.386 -0.901 1.00 25.00 C ATOM 258 C SER A 601 4.524 -10.139 0.355 1.00 25.00 C ATOM 259 O SER A 601 3.329 -9.851 0.247 1.00 25.00 O ATOM 260 CB SER A 601 5.365 -11.878 -1.260 1.00 25.00 C ATOM 261 OG SER A 601 5.816 -12.676 -0.178 1.00 25.00 O ATOM 0 H SER A 601 7.406 -10.671 -0.431 1.00 25.00 H new ATOM 0 HA SER A 601 4.945 -9.806 -1.715 1.00 25.00 H new ATOM 0 HB2 SER A 601 4.354 -12.177 -1.537 1.00 25.00 H new ATOM 0 HB3 SER A 601 5.999 -12.051 -2.130 1.00 25.00 H new ATOM 0 HG SER A 601 6.765 -12.496 -0.012 1.00 25.00 H new ATOM 267 N HIS A 602 5.150 -10.252 1.540 1.00 25.00 N ATOM 268 CA HIS A 602 4.457 -10.083 2.829 1.00 25.00 C ATOM 269 C HIS A 602 4.217 -8.599 3.141 1.00 25.00 C ATOM 270 O HIS A 602 3.223 -8.249 3.778 1.00 25.00 O ATOM 271 CB HIS A 602 5.274 -10.759 3.947 1.00 25.00 C ATOM 272 CG HIS A 602 5.464 -12.241 3.782 1.00 25.00 C ATOM 273 ND1 HIS A 602 6.447 -12.952 4.438 1.00 25.00 N ATOM 274 CD2 HIS A 602 4.785 -13.144 3.035 1.00 25.00 C ATOM 275 CE1 HIS A 602 6.365 -14.227 4.101 1.00 25.00 C ATOM 276 NE2 HIS A 602 5.364 -14.369 3.252 1.00 25.00 N ATOM 0 H HIS A 602 6.144 -10.462 1.631 1.00 25.00 H new ATOM 0 HA HIS A 602 3.480 -10.561 2.767 1.00 25.00 H new ATOM 0 HB2 HIS A 602 6.254 -10.285 3.999 1.00 25.00 H new ATOM 0 HB3 HIS A 602 4.780 -10.574 4.901 1.00 25.00 H new ATOM 0 HD2 HIS A 602 3.944 -12.938 2.389 1.00 25.00 H new ATOM 0 HE1 HIS A 602 7.007 -15.018 4.459 1.00 25.00 H new ATOM 0 HE2 HIS A 602 5.069 -15.248 2.826 1.00 25.00 H new ATOM 285 N LEU A 603 5.148 -7.747 2.701 1.00 25.00 N ATOM 286 CA LEU A 603 5.010 -6.294 2.780 1.00 25.00 C ATOM 287 C LEU A 603 3.932 -5.750 1.835 1.00 25.00 C ATOM 288 O LEU A 603 3.364 -4.681 2.073 1.00 25.00 O ATOM 289 CB LEU A 603 6.365 -5.669 2.494 1.00 25.00 C ATOM 290 CG LEU A 603 7.358 -5.819 3.654 1.00 25.00 C ATOM 291 CD1 LEU A 603 8.737 -5.284 3.317 1.00 25.00 C ATOM 292 CD2 LEU A 603 6.841 -5.160 4.897 1.00 25.00 C ATOM 0 H LEU A 603 6.024 -8.051 2.277 1.00 25.00 H new ATOM 0 HA LEU A 603 4.679 -6.028 3.784 1.00 25.00 H new ATOM 0 HB2 LEU A 603 6.788 -6.128 1.601 1.00 25.00 H new ATOM 0 HB3 LEU A 603 6.230 -4.610 2.275 1.00 25.00 H new ATOM 0 HG LEU A 603 7.458 -6.890 3.833 1.00 25.00 H new ATOM 0 HD11 LEU A 603 9.398 -5.416 4.174 1.00 25.00 H new ATOM 0 HD12 LEU A 603 9.139 -5.827 2.462 1.00 25.00 H new ATOM 0 HD13 LEU A 603 8.666 -4.224 3.073 1.00 25.00 H new ATOM 0 HD21 LEU A 603 7.566 -5.282 5.702 1.00 25.00 H new ATOM 0 HD22 LEU A 603 6.685 -4.098 4.708 1.00 25.00 H new ATOM 0 HD23 LEU A 603 5.896 -5.620 5.186 1.00 25.00 H new ATOM 304 N VAL A 604 3.669 -6.509 0.767 1.00 25.00 N ATOM 305 CA VAL A 604 2.588 -6.236 -0.177 1.00 25.00 C ATOM 306 C VAL A 604 1.257 -6.795 0.365 1.00 25.00 C ATOM 307 O VAL A 604 0.183 -6.282 0.041 1.00 25.00 O ATOM 308 CB VAL A 604 2.977 -6.838 -1.557 1.00 25.00 C ATOM 309 CG1 VAL A 604 1.826 -6.862 -2.552 1.00 25.00 C ATOM 310 CG2 VAL A 604 4.130 -6.030 -2.130 1.00 25.00 C ATOM 0 H VAL A 604 4.210 -7.341 0.533 1.00 25.00 H new ATOM 0 HA VAL A 604 2.443 -5.163 -0.303 1.00 25.00 H new ATOM 0 HB VAL A 604 3.262 -7.877 -1.392 1.00 25.00 H new ATOM 0 HG11 VAL A 604 2.167 -7.294 -3.493 1.00 25.00 H new ATOM 0 HG12 VAL A 604 1.011 -7.464 -2.151 1.00 25.00 H new ATOM 0 HG13 VAL A 604 1.474 -5.845 -2.726 1.00 25.00 H new ATOM 0 HG21 VAL A 604 4.415 -6.440 -3.099 1.00 25.00 H new ATOM 0 HG22 VAL A 604 3.822 -4.992 -2.252 1.00 25.00 H new ATOM 0 HG23 VAL A 604 4.981 -6.078 -1.451 1.00 25.00 H new ATOM 320 N HIS A 605 1.356 -7.844 1.195 1.00 25.00 N ATOM 321 CA HIS A 605 0.211 -8.363 1.950 1.00 25.00 C ATOM 322 C HIS A 605 -0.011 -7.511 3.212 1.00 25.00 C ATOM 323 O HIS A 605 -1.080 -7.551 3.819 1.00 25.00 O ATOM 324 CB HIS A 605 0.437 -9.841 2.312 1.00 25.00 C ATOM 325 CG HIS A 605 -0.756 -10.520 2.926 1.00 25.00 C ATOM 326 ND1 HIS A 605 -0.737 -11.093 4.180 1.00 25.00 N ATOM 327 CD2 HIS A 605 -2.002 -10.723 2.441 1.00 25.00 C ATOM 328 CE1 HIS A 605 -1.920 -11.619 4.440 1.00 25.00 C ATOM 329 NE2 HIS A 605 -2.707 -11.408 3.400 1.00 25.00 N ATOM 0 H HIS A 605 2.225 -8.351 1.360 1.00 25.00 H new ATOM 0 HA HIS A 605 -0.685 -8.302 1.332 1.00 25.00 H new ATOM 0 HB2 HIS A 605 0.725 -10.383 1.411 1.00 25.00 H new ATOM 0 HB3 HIS A 605 1.275 -9.908 3.006 1.00 25.00 H new ATOM 0 HD2 HIS A 605 -2.374 -10.405 1.478 1.00 25.00 H new ATOM 0 HE1 HIS A 605 -2.197 -12.134 5.348 1.00 25.00 H new ATOM 0 HE2 HIS A 605 -3.680 -11.705 3.322 1.00 25.00 H new ATOM 338 N LYS A 606 1.025 -6.743 3.580 1.00 25.00 N ATOM 339 CA LYS A 606 0.969 -5.779 4.693 1.00 25.00 C ATOM 340 C LYS A 606 0.338 -4.470 4.203 1.00 25.00 C ATOM 341 O LYS A 606 -0.152 -3.655 4.991 1.00 25.00 O ATOM 342 CB LYS A 606 2.397 -5.524 5.207 1.00 25.00 C ATOM 343 CG LYS A 606 2.518 -4.490 6.332 1.00 25.00 C ATOM 344 CD LYS A 606 3.958 -4.301 6.781 1.00 25.00 C ATOM 345 CE LYS A 606 4.053 -3.279 7.910 1.00 25.00 C ATOM 346 NZ LYS A 606 5.462 -2.996 8.313 1.00 25.00 N ATOM 0 H LYS A 606 1.931 -6.772 3.112 1.00 25.00 H new ATOM 0 HA LYS A 606 0.361 -6.179 5.505 1.00 25.00 H new ATOM 0 HB2 LYS A 606 2.812 -6.468 5.559 1.00 25.00 H new ATOM 0 HB3 LYS A 606 3.013 -5.198 4.369 1.00 25.00 H new ATOM 0 HG2 LYS A 606 2.116 -3.536 5.992 1.00 25.00 H new ATOM 0 HG3 LYS A 606 1.912 -4.806 7.181 1.00 25.00 H new ATOM 0 HD2 LYS A 606 4.366 -5.255 7.115 1.00 25.00 H new ATOM 0 HD3 LYS A 606 4.565 -3.973 5.937 1.00 25.00 H new ATOM 0 HE2 LYS A 606 3.576 -2.351 7.596 1.00 25.00 H new ATOM 0 HE3 LYS A 606 3.499 -3.646 8.774 1.00 25.00 H new ATOM 0 HZ1 LYS A 606 5.469 -2.296 9.082 1.00 25.00 H new ATOM 0 HZ2 LYS A 606 5.913 -3.874 8.640 1.00 25.00 H new ATOM 0 HZ3 LYS A 606 5.987 -2.620 7.498 1.00 25.00 H new ATOM 360 N LEU A 607 0.368 -4.309 2.881 1.00 25.00 N ATOM 361 CA LEU A 607 -0.129 -3.127 2.192 1.00 25.00 C ATOM 362 C LEU A 607 -1.641 -3.225 1.968 1.00 25.00 C ATOM 363 O LEU A 607 -2.382 -2.292 2.275 1.00 25.00 O ATOM 364 CB LEU A 607 0.593 -3.040 0.834 1.00 25.00 C ATOM 365 CG LEU A 607 0.929 -1.652 0.225 1.00 25.00 C ATOM 366 CD1 LEU A 607 0.706 -0.469 1.150 1.00 25.00 C ATOM 367 CD2 LEU A 607 2.335 -1.659 -0.295 1.00 25.00 C ATOM 0 H LEU A 607 0.747 -5.014 2.249 1.00 25.00 H new ATOM 0 HA LEU A 607 0.063 -2.238 2.793 1.00 25.00 H new ATOM 0 HB2 LEU A 607 1.530 -3.589 0.928 1.00 25.00 H new ATOM 0 HB3 LEU A 607 -0.018 -3.575 0.107 1.00 25.00 H new ATOM 0 HG LEU A 607 0.217 -1.504 -0.587 1.00 25.00 H new ATOM 0 HD11 LEU A 607 0.969 0.453 0.632 1.00 25.00 H new ATOM 0 HD12 LEU A 607 -0.342 -0.432 1.447 1.00 25.00 H new ATOM 0 HD13 LEU A 607 1.330 -0.578 2.037 1.00 25.00 H new ATOM 0 HD21 LEU A 607 2.570 -0.684 -0.722 1.00 25.00 H new ATOM 0 HD22 LEU A 607 3.024 -1.873 0.522 1.00 25.00 H new ATOM 0 HD23 LEU A 607 2.435 -2.426 -1.063 1.00 25.00 H new ATOM 379 N VAL A 608 -2.079 -4.388 1.461 1.00 25.00 N ATOM 380 CA VAL A 608 -3.485 -4.634 1.100 1.00 25.00 C ATOM 381 C VAL A 608 -4.408 -4.638 2.342 1.00 25.00 C ATOM 382 O VAL A 608 -5.606 -4.376 2.223 1.00 25.00 O ATOM 383 CB VAL A 608 -3.619 -5.979 0.305 1.00 25.00 C ATOM 384 CG1 VAL A 608 -2.835 -5.960 -1.006 1.00 25.00 C ATOM 385 CG2 VAL A 608 -3.164 -7.166 1.158 1.00 25.00 C ATOM 0 H VAL A 608 -1.467 -5.186 1.289 1.00 25.00 H new ATOM 0 HA VAL A 608 -3.808 -3.813 0.460 1.00 25.00 H new ATOM 0 HB VAL A 608 -4.676 -6.091 0.062 1.00 25.00 H new ATOM 0 HG11 VAL A 608 -2.960 -6.914 -1.519 1.00 25.00 H new ATOM 0 HG12 VAL A 608 -3.207 -5.155 -1.641 1.00 25.00 H new ATOM 0 HG13 VAL A 608 -1.778 -5.797 -0.795 1.00 25.00 H new ATOM 0 HG21 VAL A 608 -3.267 -8.087 0.584 1.00 25.00 H new ATOM 0 HG22 VAL A 608 -2.121 -7.030 1.443 1.00 25.00 H new ATOM 0 HG23 VAL A 608 -3.780 -7.227 2.055 1.00 25.00 H new ATOM 395 N GLN A 609 -3.835 -4.914 3.524 1.00 25.00 N ATOM 396 CA GLN A 609 -4.590 -4.974 4.777 1.00 25.00 C ATOM 397 C GLN A 609 -4.827 -3.580 5.336 1.00 25.00 C ATOM 398 O GLN A 609 -5.902 -3.287 5.866 1.00 25.00 O ATOM 399 CB GLN A 609 -3.830 -5.810 5.812 1.00 25.00 C ATOM 400 CG GLN A 609 -3.755 -7.299 5.494 1.00 25.00 C ATOM 401 CD GLN A 609 -2.950 -8.121 6.500 1.00 25.00 C ATOM 402 OE1 GLN A 609 -2.922 -9.353 6.453 1.00 25.00 O ATOM 403 NE2 GLN A 609 -2.288 -7.428 7.420 1.00 25.00 N ATOM 0 H GLN A 609 -2.838 -5.101 3.634 1.00 25.00 H new ATOM 0 HA GLN A 609 -5.553 -5.438 4.566 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -2.816 -5.420 5.901 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -4.307 -5.683 6.784 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -4.768 -7.699 5.445 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -3.314 -7.425 4.505 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -2.337 -6.409 7.424 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -1.730 -7.915 8.122 1.00 25.00 H new ATOM 412 N ALA A 610 -3.803 -2.726 5.210 1.00 25.00 N ATOM 413 CA ALA A 610 -3.889 -1.330 5.645 1.00 25.00 C ATOM 414 C ALA A 610 -4.771 -0.493 4.711 1.00 25.00 C ATOM 415 O ALA A 610 -5.404 0.470 5.146 1.00 25.00 O ATOM 416 CB ALA A 610 -2.498 -0.732 5.733 1.00 25.00 C ATOM 0 H ALA A 610 -2.901 -2.982 4.808 1.00 25.00 H new ATOM 0 HA ALA A 610 -4.355 -1.315 6.630 1.00 25.00 H new ATOM 0 HB1 ALA A 610 -2.568 0.306 6.057 1.00 25.00 H new ATOM 0 HB2 ALA A 610 -1.904 -1.297 6.451 1.00 25.00 H new ATOM 0 HB3 ALA A 610 -2.021 -0.775 4.754 1.00 25.00 H new ATOM 422 N ILE A 611 -4.818 -0.880 3.430 1.00 25.00 N ATOM 423 CA ILE A 611 -5.643 -0.184 2.433 1.00 25.00 C ATOM 424 C ILE A 611 -7.098 -0.692 2.505 1.00 25.00 C ATOM 425 O ILE A 611 -8.037 0.107 2.461 1.00 25.00 O ATOM 426 CB ILE A 611 -5.049 -0.331 0.990 1.00 25.00 C ATOM 427 CG1 ILE A 611 -3.696 0.401 0.899 1.00 25.00 C ATOM 428 CG2 ILE A 611 -6.014 0.236 -0.055 1.00 25.00 C ATOM 429 CD1 ILE A 611 -2.891 0.140 -0.369 1.00 25.00 C ATOM 0 H ILE A 611 -4.294 -1.672 3.059 1.00 25.00 H new ATOM 0 HA ILE A 611 -5.640 0.881 2.665 1.00 25.00 H new ATOM 0 HB ILE A 611 -4.901 -1.392 0.788 1.00 25.00 H new ATOM 0 HG12 ILE A 611 -3.877 1.473 0.979 1.00 25.00 H new ATOM 0 HG13 ILE A 611 -3.090 0.115 1.758 1.00 25.00 H new ATOM 0 HG21 ILE A 611 -5.581 0.123 -1.049 1.00 25.00 H new ATOM 0 HG22 ILE A 611 -6.960 -0.304 -0.008 1.00 25.00 H new ATOM 0 HG23 ILE A 611 -6.189 1.293 0.147 1.00 25.00 H new ATOM 0 HD11 ILE A 611 -1.958 0.703 -0.330 1.00 25.00 H new ATOM 0 HD12 ILE A 611 -2.669 -0.924 -0.447 1.00 25.00 H new ATOM 0 HD13 ILE A 611 -3.469 0.455 -1.238 1.00 25.00 H new ATOM 441 N PHE A 612 -7.267 -2.022 2.606 1.00 25.00 N ATOM 442 CA PHE A 612 -8.571 -2.629 2.871 1.00 25.00 C ATOM 443 C PHE A 612 -8.411 -3.856 3.800 1.00 25.00 C ATOM 444 O PHE A 612 -7.784 -4.843 3.403 1.00 25.00 O ATOM 445 CB PHE A 612 -9.269 -3.026 1.546 1.00 25.00 C ATOM 446 CG PHE A 612 -10.587 -3.739 1.728 1.00 25.00 C ATOM 447 CD1 PHE A 612 -11.712 -3.033 2.112 1.00 25.00 C ATOM 448 CD2 PHE A 612 -10.696 -5.102 1.507 1.00 25.00 C ATOM 449 CE1 PHE A 612 -12.927 -3.671 2.273 1.00 25.00 C ATOM 450 CE2 PHE A 612 -11.907 -5.749 1.666 1.00 25.00 C ATOM 451 CZ PHE A 612 -13.025 -5.030 2.049 1.00 25.00 C ATOM 0 H PHE A 612 -6.508 -2.696 2.506 1.00 25.00 H new ATOM 0 HA PHE A 612 -9.201 -1.896 3.375 1.00 25.00 H new ATOM 0 HB2 PHE A 612 -9.435 -2.127 0.953 1.00 25.00 H new ATOM 0 HB3 PHE A 612 -8.598 -3.667 0.973 1.00 25.00 H new ATOM 0 HD1 PHE A 612 -11.640 -1.970 2.288 1.00 25.00 H new ATOM 0 HD2 PHE A 612 -9.825 -5.666 1.207 1.00 25.00 H new ATOM 0 HE1 PHE A 612 -13.798 -3.108 2.573 1.00 25.00 H new ATOM 0 HE2 PHE A 612 -11.980 -6.812 1.492 1.00 25.00 H new ATOM 0 HZ PHE A 612 -13.974 -5.531 2.173 1.00 25.00 H new ATOM 461 N PRO A 613 -8.974 -3.829 5.055 1.00 25.00 N ATOM 462 CA PRO A 613 -8.950 -5.007 5.940 1.00 25.00 C ATOM 463 C PRO A 613 -9.937 -6.091 5.494 1.00 25.00 C ATOM 464 O PRO A 613 -11.055 -5.783 5.067 1.00 25.00 O ATOM 465 CB PRO A 613 -9.335 -4.448 7.315 1.00 25.00 C ATOM 466 CG PRO A 613 -10.133 -3.216 7.045 1.00 25.00 C ATOM 467 CD PRO A 613 -9.636 -2.666 5.708 1.00 25.00 C ATOM 0 HA PRO A 613 -7.975 -5.495 5.935 1.00 25.00 H new ATOM 0 HB2 PRO A 613 -9.917 -5.174 7.883 1.00 25.00 H new ATOM 0 HB3 PRO A 613 -8.448 -4.218 7.906 1.00 25.00 H new ATOM 0 HG2 PRO A 613 -11.198 -3.445 6.999 1.00 25.00 H new ATOM 0 HG3 PRO A 613 -9.998 -2.483 7.841 1.00 25.00 H new ATOM 0 HD2 PRO A 613 -10.459 -2.286 5.103 1.00 25.00 H new ATOM 0 HD3 PRO A 613 -8.939 -1.841 5.852 1.00 25.00 H new ATOM 475 N THR A 614 -9.511 -7.352 5.596 1.00 25.00 N ATOM 476 CA THR A 614 -10.310 -8.475 5.119 1.00 25.00 C ATOM 477 C THR A 614 -10.824 -9.369 6.255 1.00 25.00 C ATOM 478 O THR A 614 -10.032 -9.998 6.964 1.00 25.00 O ATOM 479 CB THR A 614 -9.543 -9.357 4.119 1.00 25.00 C ATOM 480 OG1 THR A 614 -8.282 -9.769 4.665 1.00 25.00 O ATOM 481 CG2 THR A 614 -9.341 -8.638 2.798 1.00 25.00 C ATOM 0 H THR A 614 -8.616 -7.618 6.006 1.00 25.00 H new ATOM 0 HA THR A 614 -11.161 -8.013 4.619 1.00 25.00 H new ATOM 0 HB THR A 614 -10.144 -10.247 3.931 1.00 25.00 H new ATOM 0 HG1 THR A 614 -8.393 -9.992 5.613 1.00 25.00 H new ATOM 0 HG21 THR A 614 -8.796 -9.285 2.111 1.00 25.00 H new ATOM 0 HG22 THR A 614 -10.311 -8.387 2.368 1.00 25.00 H new ATOM 0 HG23 THR A 614 -8.771 -7.724 2.965 1.00 25.00 H new ATOM 489 N PRO A 615 -12.179 -9.419 6.454 1.00 25.00 N ATOM 490 CA PRO A 615 -12.840 -10.441 7.296 1.00 25.00 C ATOM 491 C PRO A 615 -12.650 -11.860 6.752 1.00 25.00 C ATOM 492 O PRO A 615 -12.219 -12.766 7.468 1.00 25.00 O ATOM 493 CB PRO A 615 -14.321 -10.068 7.210 1.00 25.00 C ATOM 494 CG PRO A 615 -14.330 -8.600 6.994 1.00 25.00 C ATOM 495 CD PRO A 615 -13.170 -8.456 5.921 1.00 25.00 C ATOM 0 HA PRO A 615 -12.430 -10.449 8.306 1.00 25.00 H new ATOM 0 HB2 PRO A 615 -14.814 -10.591 6.391 1.00 25.00 H new ATOM 0 HB3 PRO A 615 -14.850 -10.337 8.124 1.00 25.00 H new ATOM 0 HG2 PRO A 615 -15.289 -8.243 6.618 1.00 25.00 H new ATOM 0 HG3 PRO A 615 -14.119 -8.045 7.908 1.00 25.00 H new ATOM 0 HD2 PRO A 615 -13.502 -8.718 4.916 1.00 25.00 H new ATOM 0 HD3 PRO A 615 -12.775 -7.441 5.872 1.00 25.00 H new ATOM 503 N ASP A 616 -12.992 -12.017 5.471 1.00 25.00 N ATOM 504 CA ASP A 616 -12.886 -13.296 4.764 1.00 25.00 C ATOM 505 C ASP A 616 -11.693 -13.300 3.793 1.00 25.00 C ATOM 506 O ASP A 616 -11.581 -12.402 2.953 1.00 25.00 O ATOM 507 CB ASP A 616 -14.181 -13.591 3.993 1.00 25.00 C ATOM 508 CG ASP A 616 -14.321 -15.055 3.613 1.00 25.00 C ATOM 509 OD1 ASP A 616 -13.295 -15.680 3.268 1.00 25.00 O ATOM 510 OD2 ASP A 616 -15.455 -15.576 3.661 1.00 25.00 O ATOM 0 H ASP A 616 -13.352 -11.258 4.893 1.00 25.00 H new ATOM 0 HA ASP A 616 -12.725 -14.074 5.510 1.00 25.00 H new ATOM 0 HB2 ASP A 616 -15.036 -13.295 4.601 1.00 25.00 H new ATOM 0 HB3 ASP A 616 -14.207 -12.982 3.089 1.00 25.00 H new ATOM 515 N PRO A 617 -10.768 -14.311 3.898 1.00 25.00 N ATOM 516 CA PRO A 617 -9.637 -14.482 2.944 1.00 25.00 C ATOM 517 C PRO A 617 -10.074 -14.727 1.485 1.00 25.00 C ATOM 518 O PRO A 617 -9.244 -14.690 0.571 1.00 25.00 O ATOM 519 CB PRO A 617 -8.898 -15.718 3.484 1.00 25.00 C ATOM 520 CG PRO A 617 -9.288 -15.804 4.920 1.00 25.00 C ATOM 521 CD PRO A 617 -10.703 -15.341 4.973 1.00 25.00 C ATOM 0 HA PRO A 617 -9.035 -13.575 2.895 1.00 25.00 H new ATOM 0 HB2 PRO A 617 -9.187 -16.619 2.942 1.00 25.00 H new ATOM 0 HB3 PRO A 617 -7.819 -15.612 3.374 1.00 25.00 H new ATOM 0 HG2 PRO A 617 -9.194 -16.824 5.292 1.00 25.00 H new ATOM 0 HG3 PRO A 617 -8.646 -15.178 5.540 1.00 25.00 H new ATOM 0 HD2 PRO A 617 -11.401 -16.158 4.790 1.00 25.00 H new ATOM 0 HD3 PRO A 617 -10.953 -14.921 5.948 1.00 25.00 H new ATOM 529 N ALA A 618 -11.380 -14.975 1.283 1.00 25.00 N ATOM 530 CA ALA A 618 -11.945 -15.243 -0.048 1.00 25.00 C ATOM 531 C ALA A 618 -12.092 -13.965 -0.894 1.00 25.00 C ATOM 532 O ALA A 618 -12.397 -14.037 -2.089 1.00 25.00 O ATOM 533 CB ALA A 618 -13.293 -15.937 0.095 1.00 25.00 C ATOM 0 H ALA A 618 -12.069 -14.995 2.035 1.00 25.00 H new ATOM 0 HA ALA A 618 -11.247 -15.894 -0.574 1.00 25.00 H new ATOM 0 HB1 ALA A 618 -13.708 -16.134 -0.894 1.00 25.00 H new ATOM 0 HB2 ALA A 618 -13.163 -16.879 0.628 1.00 25.00 H new ATOM 0 HB3 ALA A 618 -13.975 -15.296 0.654 1.00 25.00 H new ATOM 539 N ALA A 619 -11.862 -12.805 -0.262 1.00 25.00 N ATOM 540 CA ALA A 619 -11.947 -11.504 -0.940 1.00 25.00 C ATOM 541 C ALA A 619 -10.650 -11.152 -1.677 1.00 25.00 C ATOM 542 O ALA A 619 -10.630 -10.230 -2.501 1.00 25.00 O ATOM 543 CB ALA A 619 -12.275 -10.415 0.069 1.00 25.00 C ATOM 0 H ALA A 619 -11.614 -12.742 0.725 1.00 25.00 H new ATOM 0 HA ALA A 619 -12.741 -11.574 -1.683 1.00 25.00 H new ATOM 0 HB1 ALA A 619 -12.336 -9.453 -0.441 1.00 25.00 H new ATOM 0 HB2 ALA A 619 -13.231 -10.635 0.544 1.00 25.00 H new ATOM 0 HB3 ALA A 619 -11.493 -10.374 0.828 1.00 25.00 H new ATOM 549 N LEU A 620 -9.575 -11.896 -1.381 1.00 25.00 N ATOM 550 CA LEU A 620 -8.255 -11.635 -1.952 1.00 25.00 C ATOM 551 C LEU A 620 -8.095 -12.242 -3.360 1.00 25.00 C ATOM 552 O LEU A 620 -7.043 -12.092 -3.991 1.00 25.00 O ATOM 553 CB LEU A 620 -7.166 -12.185 -1.014 1.00 25.00 C ATOM 554 CG LEU A 620 -7.048 -11.517 0.370 1.00 25.00 C ATOM 555 CD1 LEU A 620 -6.008 -12.237 1.214 1.00 25.00 C ATOM 556 CD2 LEU A 620 -6.678 -10.039 0.246 1.00 25.00 C ATOM 0 H LEU A 620 -9.600 -12.691 -0.742 1.00 25.00 H new ATOM 0 HA LEU A 620 -8.149 -10.555 -2.053 1.00 25.00 H new ATOM 0 HB2 LEU A 620 -7.350 -13.249 -0.865 1.00 25.00 H new ATOM 0 HB3 LEU A 620 -6.204 -12.096 -1.519 1.00 25.00 H new ATOM 0 HG LEU A 620 -8.021 -11.586 0.856 1.00 25.00 H new ATOM 0 HD11 LEU A 620 -5.934 -11.756 2.189 1.00 25.00 H new ATOM 0 HD12 LEU A 620 -6.303 -13.278 1.345 1.00 25.00 H new ATOM 0 HD13 LEU A 620 -5.040 -12.194 0.714 1.00 25.00 H new ATOM 0 HD21 LEU A 620 -6.603 -9.598 1.240 1.00 25.00 H new ATOM 0 HD22 LEU A 620 -5.720 -9.945 -0.266 1.00 25.00 H new ATOM 0 HD23 LEU A 620 -7.447 -9.518 -0.325 1.00 25.00 H new ATOM 568 N LYS A 621 -9.150 -12.913 -3.843 1.00 25.00 N ATOM 569 CA LYS A 621 -9.143 -13.549 -5.168 1.00 25.00 C ATOM 570 C LYS A 621 -9.996 -12.753 -6.171 1.00 25.00 C ATOM 571 O LYS A 621 -10.326 -13.245 -7.257 1.00 25.00 O ATOM 572 CB LYS A 621 -9.653 -15.001 -5.070 1.00 25.00 C ATOM 573 CG LYS A 621 -8.819 -15.925 -4.174 1.00 25.00 C ATOM 574 CD LYS A 621 -9.336 -17.358 -4.162 1.00 25.00 C ATOM 575 CE LYS A 621 -8.647 -18.169 -3.093 1.00 25.00 C ATOM 576 NZ LYS A 621 -9.234 -19.530 -2.952 1.00 25.00 N ATOM 0 H LYS A 621 -10.025 -13.030 -3.332 1.00 25.00 H new ATOM 0 HA LYS A 621 -8.115 -13.559 -5.530 1.00 25.00 H new ATOM 0 HB2 LYS A 621 -10.677 -14.985 -4.696 1.00 25.00 H new ATOM 0 HB3 LYS A 621 -9.686 -15.426 -6.073 1.00 25.00 H new ATOM 0 HG2 LYS A 621 -7.784 -15.920 -4.517 1.00 25.00 H new ATOM 0 HG3 LYS A 621 -8.820 -15.535 -3.156 1.00 25.00 H new ATOM 0 HD2 LYS A 621 -10.412 -17.359 -3.988 1.00 25.00 H new ATOM 0 HD3 LYS A 621 -9.170 -17.817 -5.136 1.00 25.00 H new ATOM 0 HE2 LYS A 621 -7.587 -18.256 -3.332 1.00 25.00 H new ATOM 0 HE3 LYS A 621 -8.717 -17.645 -2.140 1.00 25.00 H new ATOM 0 HZ1 LYS A 621 -8.729 -20.050 -2.206 1.00 25.00 H new ATOM 0 HZ2 LYS A 621 -10.239 -19.450 -2.698 1.00 25.00 H new ATOM 0 HZ3 LYS A 621 -9.144 -20.042 -3.853 1.00 25.00 H new ATOM 590 N ASP A 622 -10.330 -11.509 -5.797 1.00 25.00 N ATOM 591 CA ASP A 622 -11.191 -10.639 -6.601 1.00 25.00 C ATOM 592 C ASP A 622 -10.369 -9.846 -7.631 1.00 25.00 C ATOM 593 O ASP A 622 -9.158 -9.665 -7.473 1.00 25.00 O ATOM 594 CB ASP A 622 -11.953 -9.689 -5.661 1.00 25.00 C ATOM 595 CG ASP A 622 -13.087 -8.946 -6.350 1.00 25.00 C ATOM 596 OD1 ASP A 622 -13.384 -9.267 -7.519 1.00 25.00 O ATOM 597 OD2 ASP A 622 -13.676 -8.046 -5.716 1.00 25.00 O ATOM 0 H ASP A 622 -10.009 -11.081 -4.928 1.00 25.00 H new ATOM 0 HA ASP A 622 -11.902 -11.250 -7.157 1.00 25.00 H new ATOM 0 HB2 ASP A 622 -12.357 -10.261 -4.826 1.00 25.00 H new ATOM 0 HB3 ASP A 622 -11.254 -8.965 -5.243 1.00 25.00 H new ATOM 602 N ARG A 623 -11.058 -9.378 -8.687 1.00 25.00 N ATOM 603 CA ARG A 623 -10.427 -8.645 -9.803 1.00 25.00 C ATOM 604 C ARG A 623 -10.169 -7.194 -9.417 1.00 25.00 C ATOM 605 O ARG A 623 -9.140 -6.615 -9.772 1.00 25.00 O ATOM 606 CB ARG A 623 -11.331 -8.661 -11.051 1.00 25.00 C ATOM 607 CG ARG A 623 -10.740 -7.957 -12.262 1.00 25.00 C ATOM 608 CD ARG A 623 -9.492 -8.656 -12.804 1.00 25.00 C ATOM 609 NE ARG A 623 -8.892 -7.940 -13.940 1.00 25.00 N ATOM 610 CZ ARG A 623 -8.022 -6.924 -13.828 1.00 25.00 C ATOM 611 NH1 ARG A 623 -7.638 -6.473 -12.634 1.00 25.00 N ATOM 612 NH2 ARG A 623 -7.536 -6.356 -14.923 1.00 25.00 N ATOM 0 H ARG A 623 -12.066 -9.496 -8.792 1.00 25.00 H new ATOM 0 HA ARG A 623 -9.483 -9.143 -10.026 1.00 25.00 H new ATOM 0 HB2 ARG A 623 -11.546 -9.696 -11.316 1.00 25.00 H new ATOM 0 HB3 ARG A 623 -12.283 -8.192 -10.802 1.00 25.00 H new ATOM 0 HG2 ARG A 623 -11.492 -7.905 -13.049 1.00 25.00 H new ATOM 0 HG3 ARG A 623 -10.488 -6.931 -11.993 1.00 25.00 H new ATOM 0 HD2 ARG A 623 -8.755 -8.746 -12.006 1.00 25.00 H new ATOM 0 HD3 ARG A 623 -9.752 -9.668 -13.114 1.00 25.00 H new ATOM 0 HE ARG A 623 -9.156 -8.237 -14.880 1.00 25.00 H new ATOM 0 HH11 ARG A 623 -8.006 -6.901 -11.785 1.00 25.00 H new ATOM 0 HH12 ARG A 623 -6.976 -5.700 -12.570 1.00 25.00 H new ATOM 0 HH21 ARG A 623 -7.824 -6.692 -15.842 1.00 25.00 H new ATOM 0 HH22 ARG A 623 -6.874 -5.583 -14.846 1.00 25.00 H new ATOM 626 N ARG A 624 -11.137 -6.628 -8.687 1.00 25.00 N ATOM 627 CA ARG A 624 -11.081 -5.235 -8.207 1.00 25.00 C ATOM 628 C ARG A 624 -9.992 -5.045 -7.128 1.00 25.00 C ATOM 629 O ARG A 624 -9.547 -3.922 -6.874 1.00 25.00 O ATOM 630 CB ARG A 624 -12.469 -4.826 -7.663 1.00 25.00 C ATOM 631 CG ARG A 624 -13.596 -4.762 -8.704 1.00 25.00 C ATOM 632 CD ARG A 624 -14.947 -4.373 -8.098 1.00 25.00 C ATOM 633 NE ARG A 624 -15.998 -4.231 -9.116 1.00 25.00 N ATOM 634 CZ ARG A 624 -16.678 -5.251 -9.665 1.00 25.00 C ATOM 635 NH1 ARG A 624 -16.443 -6.511 -9.305 1.00 25.00 N ATOM 636 NH2 ARG A 624 -17.605 -5.001 -10.581 1.00 25.00 N ATOM 0 H ARG A 624 -11.985 -7.122 -8.410 1.00 25.00 H new ATOM 0 HA ARG A 624 -10.814 -4.591 -9.045 1.00 25.00 H new ATOM 0 HB2 ARG A 624 -12.757 -5.533 -6.885 1.00 25.00 H new ATOM 0 HB3 ARG A 624 -12.380 -3.848 -7.189 1.00 25.00 H new ATOM 0 HG2 ARG A 624 -13.329 -4.041 -9.477 1.00 25.00 H new ATOM 0 HG3 ARG A 624 -13.688 -5.732 -9.192 1.00 25.00 H new ATOM 0 HD2 ARG A 624 -15.248 -5.129 -7.372 1.00 25.00 H new ATOM 0 HD3 ARG A 624 -14.842 -3.434 -7.555 1.00 25.00 H new ATOM 0 HE ARG A 624 -16.228 -3.288 -9.429 1.00 25.00 H new ATOM 0 HH11 ARG A 624 -15.735 -6.716 -8.600 1.00 25.00 H new ATOM 0 HH12 ARG A 624 -16.971 -7.271 -9.734 1.00 25.00 H new ATOM 0 HH21 ARG A 624 -17.797 -4.040 -10.863 1.00 25.00 H new ATOM 0 HH22 ARG A 624 -18.126 -5.770 -11.003 1.00 25.00 H new ATOM 650 N MET A 625 -9.575 -6.159 -6.510 1.00 25.00 N ATOM 651 CA MET A 625 -8.511 -6.166 -5.494 1.00 25.00 C ATOM 652 C MET A 625 -7.126 -6.150 -6.163 1.00 25.00 C ATOM 653 O MET A 625 -6.195 -5.511 -5.667 1.00 25.00 O ATOM 654 CB MET A 625 -8.668 -7.424 -4.619 1.00 25.00 C ATOM 655 CG MET A 625 -7.662 -7.577 -3.470 1.00 25.00 C ATOM 656 SD MET A 625 -7.838 -6.337 -2.163 1.00 25.00 S ATOM 657 CE MET A 625 -9.163 -7.016 -1.167 1.00 25.00 C ATOM 0 H MET A 625 -9.966 -7.082 -6.700 1.00 25.00 H new ATOM 0 HA MET A 625 -8.595 -5.274 -4.873 1.00 25.00 H new ATOM 0 HB2 MET A 625 -9.673 -7.425 -4.197 1.00 25.00 H new ATOM 0 HB3 MET A 625 -8.591 -8.301 -5.262 1.00 25.00 H new ATOM 0 HG2 MET A 625 -7.775 -8.569 -3.032 1.00 25.00 H new ATOM 0 HG3 MET A 625 -6.652 -7.521 -3.876 1.00 25.00 H new ATOM 0 HE1 MET A 625 -9.975 -6.292 -1.099 1.00 25.00 H new ATOM 0 HE2 MET A 625 -9.532 -7.932 -1.628 1.00 25.00 H new ATOM 0 HE3 MET A 625 -8.790 -7.238 -0.167 1.00 25.00 H new ATOM 667 N GLU A 626 -7.022 -6.865 -7.293 1.00 25.00 N ATOM 668 CA GLU A 626 -5.774 -7.001 -8.060 1.00 25.00 C ATOM 669 C GLU A 626 -5.254 -5.642 -8.586 1.00 25.00 C ATOM 670 O GLU A 626 -4.060 -5.500 -8.865 1.00 25.00 O ATOM 671 CB GLU A 626 -6.014 -7.984 -9.226 1.00 25.00 C ATOM 672 CG GLU A 626 -4.794 -8.278 -10.108 1.00 25.00 C ATOM 673 CD GLU A 626 -5.061 -9.294 -11.207 1.00 25.00 C ATOM 674 OE1 GLU A 626 -6.075 -9.146 -11.919 1.00 25.00 O ATOM 675 OE2 GLU A 626 -4.251 -10.236 -11.356 1.00 25.00 O ATOM 0 H GLU A 626 -7.808 -7.369 -7.704 1.00 25.00 H new ATOM 0 HA GLU A 626 -5.001 -7.388 -7.396 1.00 25.00 H new ATOM 0 HB2 GLU A 626 -6.378 -8.926 -8.815 1.00 25.00 H new ATOM 0 HB3 GLU A 626 -6.808 -7.584 -9.857 1.00 25.00 H new ATOM 0 HG2 GLU A 626 -4.453 -7.347 -10.562 1.00 25.00 H new ATOM 0 HG3 GLU A 626 -3.982 -8.642 -9.479 1.00 25.00 H new ATOM 682 N ASN A 627 -6.151 -4.645 -8.691 1.00 25.00 N ATOM 683 CA ASN A 627 -5.801 -3.320 -9.233 1.00 25.00 C ATOM 684 C ASN A 627 -4.894 -2.515 -8.292 1.00 25.00 C ATOM 685 O ASN A 627 -3.930 -1.896 -8.752 1.00 25.00 O ATOM 686 CB ASN A 627 -7.066 -2.510 -9.552 1.00 25.00 C ATOM 687 CG ASN A 627 -7.825 -3.047 -10.752 1.00 25.00 C ATOM 688 OD1 ASN A 627 -7.276 -3.788 -11.567 1.00 25.00 O ATOM 689 ND2 ASN A 627 -9.092 -2.667 -10.870 1.00 25.00 N ATOM 0 H ASN A 627 -7.127 -4.733 -8.407 1.00 25.00 H new ATOM 0 HA ASN A 627 -5.242 -3.502 -10.151 1.00 25.00 H new ATOM 0 HB2 ASN A 627 -7.723 -2.514 -8.682 1.00 25.00 H new ATOM 0 HB3 ASN A 627 -6.789 -1.472 -9.738 1.00 25.00 H new ATOM 0 HD21 ASN A 627 -9.650 -2.991 -11.660 1.00 25.00 H new ATOM 0 HD22 ASN A 627 -9.507 -2.051 -10.171 1.00 25.00 H new ATOM 696 N LEU A 628 -5.200 -2.520 -6.982 1.00 25.00 N ATOM 697 CA LEU A 628 -4.381 -1.789 -6.005 1.00 25.00 C ATOM 698 C LEU A 628 -3.204 -2.648 -5.517 1.00 25.00 C ATOM 699 O LEU A 628 -2.215 -2.116 -5.006 1.00 25.00 O ATOM 700 CB LEU A 628 -5.244 -1.218 -4.851 1.00 25.00 C ATOM 701 CG LEU A 628 -5.748 0.229 -4.955 1.00 25.00 C ATOM 702 CD1 LEU A 628 -6.977 0.427 -4.083 1.00 25.00 C ATOM 703 CD2 LEU A 628 -4.651 1.177 -4.524 1.00 25.00 C ATOM 0 H LEU A 628 -5.997 -3.015 -6.582 1.00 25.00 H new ATOM 0 HA LEU A 628 -3.944 -0.924 -6.504 1.00 25.00 H new ATOM 0 HB2 LEU A 628 -6.115 -1.864 -4.738 1.00 25.00 H new ATOM 0 HB3 LEU A 628 -4.664 -1.301 -3.932 1.00 25.00 H new ATOM 0 HG LEU A 628 -6.021 0.436 -5.990 1.00 25.00 H new ATOM 0 HD11 LEU A 628 -7.321 1.458 -4.168 1.00 25.00 H new ATOM 0 HD12 LEU A 628 -7.768 -0.248 -4.410 1.00 25.00 H new ATOM 0 HD13 LEU A 628 -6.724 0.214 -3.044 1.00 25.00 H new ATOM 0 HD21 LEU A 628 -5.008 2.204 -4.598 1.00 25.00 H new ATOM 0 HD22 LEU A 628 -4.370 0.964 -3.493 1.00 25.00 H new ATOM 0 HD23 LEU A 628 -3.783 1.047 -5.171 1.00 25.00 H new ATOM 715 N VAL A 629 -3.334 -3.982 -5.659 1.00 25.00 N ATOM 716 CA VAL A 629 -2.193 -4.910 -5.509 1.00 25.00 C ATOM 717 C VAL A 629 -1.065 -4.484 -6.467 1.00 25.00 C ATOM 718 O VAL A 629 0.122 -4.636 -6.167 1.00 25.00 O ATOM 719 CB VAL A 629 -2.634 -6.382 -5.809 1.00 25.00 C ATOM 720 CG1 VAL A 629 -1.446 -7.321 -6.053 1.00 25.00 C ATOM 721 CG2 VAL A 629 -3.501 -6.921 -4.677 1.00 25.00 C ATOM 0 H VAL A 629 -4.218 -4.442 -5.877 1.00 25.00 H new ATOM 0 HA VAL A 629 -1.832 -4.870 -4.481 1.00 25.00 H new ATOM 0 HB VAL A 629 -3.214 -6.352 -6.731 1.00 25.00 H new ATOM 0 HG11 VAL A 629 -1.813 -8.327 -6.256 1.00 25.00 H new ATOM 0 HG12 VAL A 629 -0.871 -6.966 -6.908 1.00 25.00 H new ATOM 0 HG13 VAL A 629 -0.809 -7.339 -5.169 1.00 25.00 H new ATOM 0 HG21 VAL A 629 -3.798 -7.945 -4.902 1.00 25.00 H new ATOM 0 HG22 VAL A 629 -2.935 -6.904 -3.746 1.00 25.00 H new ATOM 0 HG23 VAL A 629 -4.390 -6.300 -4.572 1.00 25.00 H new ATOM 731 N ALA A 630 -1.485 -3.943 -7.616 1.00 25.00 N ATOM 732 CA ALA A 630 -0.585 -3.410 -8.626 1.00 25.00 C ATOM 733 C ALA A 630 -0.038 -2.031 -8.223 1.00 25.00 C ATOM 734 O ALA A 630 0.982 -1.583 -8.755 1.00 25.00 O ATOM 735 CB ALA A 630 -1.319 -3.357 -9.953 1.00 25.00 C ATOM 0 H ALA A 630 -2.471 -3.866 -7.866 1.00 25.00 H new ATOM 0 HA ALA A 630 0.281 -4.065 -8.721 1.00 25.00 H new ATOM 0 HB1 ALA A 630 -0.655 -2.959 -10.720 1.00 25.00 H new ATOM 0 HB2 ALA A 630 -1.637 -4.361 -10.233 1.00 25.00 H new ATOM 0 HB3 ALA A 630 -2.193 -2.713 -9.860 1.00 25.00 H new ATOM 741 N TYR A 631 -0.731 -1.368 -7.276 1.00 25.00 N ATOM 742 CA TYR A 631 -0.211 -0.161 -6.618 1.00 25.00 C ATOM 743 C TYR A 631 0.866 -0.543 -5.582 1.00 25.00 C ATOM 744 O TYR A 631 1.893 0.132 -5.471 1.00 25.00 O ATOM 745 CB TYR A 631 -1.370 0.661 -5.957 1.00 25.00 C ATOM 746 CG TYR A 631 -0.918 1.894 -5.174 1.00 25.00 C ATOM 747 CD1 TYR A 631 -0.481 3.038 -5.841 1.00 25.00 C ATOM 748 CD2 TYR A 631 -0.988 1.930 -3.784 1.00 25.00 C ATOM 749 CE1 TYR A 631 -0.134 4.177 -5.139 1.00 25.00 C ATOM 750 CE2 TYR A 631 -0.631 3.062 -3.080 1.00 25.00 C ATOM 751 CZ TYR A 631 0.017 4.088 -3.744 1.00 25.00 C ATOM 752 OH TYR A 631 0.133 5.317 -3.062 1.00 25.00 O ATOM 0 H TYR A 631 -1.655 -1.652 -6.951 1.00 25.00 H new ATOM 0 HA TYR A 631 0.251 0.475 -7.373 1.00 25.00 H new ATOM 0 HB2 TYR A 631 -2.062 0.977 -6.737 1.00 25.00 H new ATOM 0 HB3 TYR A 631 -1.924 0.005 -5.286 1.00 25.00 H new ATOM 0 HD1 TYR A 631 -0.413 3.034 -6.919 1.00 25.00 H new ATOM 0 HD2 TYR A 631 -1.328 1.057 -3.247 1.00 25.00 H new ATOM 0 HE1 TYR A 631 0.018 5.116 -5.651 1.00 25.00 H new ATOM 0 HE2 TYR A 631 -0.854 3.146 -2.027 1.00 25.00 H new ATOM 0 HH TYR A 631 -0.008 5.173 -2.103 1.00 25.00 H new ATOM 762 N ALA A 632 0.616 -1.631 -4.838 1.00 25.00 N ATOM 763 CA ALA A 632 1.505 -2.063 -3.753 1.00 25.00 C ATOM 764 C ALA A 632 2.727 -2.821 -4.287 1.00 25.00 C ATOM 765 O ALA A 632 3.795 -2.798 -3.670 1.00 25.00 O ATOM 766 CB ALA A 632 0.752 -2.928 -2.765 1.00 25.00 C ATOM 0 H ALA A 632 -0.199 -2.229 -4.970 1.00 25.00 H new ATOM 0 HA ALA A 632 1.862 -1.166 -3.247 1.00 25.00 H new ATOM 0 HB1 ALA A 632 1.426 -3.240 -1.967 1.00 25.00 H new ATOM 0 HB2 ALA A 632 -0.075 -2.359 -2.340 1.00 25.00 H new ATOM 0 HB3 ALA A 632 0.362 -3.809 -3.276 1.00 25.00 H new ATOM 772 N LYS A 633 2.556 -3.487 -5.445 1.00 25.00 N ATOM 773 CA LYS A 633 3.648 -4.211 -6.120 1.00 25.00 C ATOM 774 C LYS A 633 4.754 -3.253 -6.592 1.00 25.00 C ATOM 775 O LYS A 633 5.916 -3.646 -6.736 1.00 25.00 O ATOM 776 CB LYS A 633 3.103 -4.980 -7.333 1.00 25.00 C ATOM 777 CG LYS A 633 2.600 -6.392 -7.028 1.00 25.00 C ATOM 778 CD LYS A 633 1.977 -7.060 -8.250 1.00 25.00 C ATOM 779 CE LYS A 633 1.605 -8.516 -7.984 1.00 25.00 C ATOM 780 NZ LYS A 633 1.011 -9.178 -9.183 1.00 25.00 N ATOM 0 H LYS A 633 1.663 -3.538 -5.935 1.00 25.00 H new ATOM 0 HA LYS A 633 4.074 -4.906 -5.397 1.00 25.00 H new ATOM 0 HB2 LYS A 633 2.287 -4.406 -7.772 1.00 25.00 H new ATOM 0 HB3 LYS A 633 3.888 -5.045 -8.086 1.00 25.00 H new ATOM 0 HG2 LYS A 633 3.429 -7.001 -6.667 1.00 25.00 H new ATOM 0 HG3 LYS A 633 1.864 -6.348 -6.226 1.00 25.00 H new ATOM 0 HD2 LYS A 633 1.086 -6.508 -8.549 1.00 25.00 H new ATOM 0 HD3 LYS A 633 2.677 -7.012 -9.084 1.00 25.00 H new ATOM 0 HE2 LYS A 633 2.494 -9.064 -7.672 1.00 25.00 H new ATOM 0 HE3 LYS A 633 0.896 -8.562 -7.158 1.00 25.00 H new ATOM 0 HZ1 LYS A 633 0.775 -10.164 -8.954 1.00 25.00 H new ATOM 0 HZ2 LYS A 633 0.148 -8.672 -9.467 1.00 25.00 H new ATOM 0 HZ3 LYS A 633 1.696 -9.159 -9.965 1.00 25.00 H new ATOM 794 N LYS A 634 4.358 -1.993 -6.821 1.00 25.00 N ATOM 795 CA LYS A 634 5.242 -0.952 -7.345 1.00 25.00 C ATOM 796 C LYS A 634 6.038 -0.252 -6.227 1.00 25.00 C ATOM 797 O LYS A 634 7.191 0.131 -6.440 1.00 25.00 O ATOM 798 CB LYS A 634 4.397 0.074 -8.130 1.00 25.00 C ATOM 799 CG LYS A 634 5.194 1.206 -8.792 1.00 25.00 C ATOM 800 CD LYS A 634 6.023 0.729 -9.991 1.00 25.00 C ATOM 801 CE LYS A 634 6.802 1.859 -10.678 1.00 25.00 C ATOM 802 NZ LYS A 634 7.572 1.389 -11.864 1.00 25.00 N ATOM 0 H LYS A 634 3.407 -1.669 -6.645 1.00 25.00 H new ATOM 0 HA LYS A 634 5.972 -1.420 -8.006 1.00 25.00 H new ATOM 0 HB2 LYS A 634 3.837 -0.455 -8.902 1.00 25.00 H new ATOM 0 HB3 LYS A 634 3.666 0.514 -7.451 1.00 25.00 H new ATOM 0 HG2 LYS A 634 4.506 1.985 -9.119 1.00 25.00 H new ATOM 0 HG3 LYS A 634 5.858 1.656 -8.054 1.00 25.00 H new ATOM 0 HD2 LYS A 634 6.724 -0.036 -9.658 1.00 25.00 H new ATOM 0 HD3 LYS A 634 5.361 0.259 -10.718 1.00 25.00 H new ATOM 0 HE2 LYS A 634 6.106 2.638 -10.988 1.00 25.00 H new ATOM 0 HE3 LYS A 634 7.487 2.310 -9.961 1.00 25.00 H new ATOM 0 HZ1 LYS A 634 8.079 2.192 -12.289 1.00 25.00 H new ATOM 0 HZ2 LYS A 634 8.257 0.665 -11.568 1.00 25.00 H new ATOM 0 HZ3 LYS A 634 6.918 0.982 -12.563 1.00 25.00 H new ATOM 816 N VAL A 635 5.422 -0.094 -5.042 1.00 25.00 N ATOM 817 CA VAL A 635 6.006 0.739 -3.978 1.00 25.00 C ATOM 818 C VAL A 635 7.162 0.033 -3.238 1.00 25.00 C ATOM 819 O VAL A 635 8.156 0.677 -2.913 1.00 25.00 O ATOM 820 CB VAL A 635 4.934 1.289 -2.973 1.00 25.00 C ATOM 821 CG1 VAL A 635 5.605 1.942 -1.772 1.00 25.00 C ATOM 822 CG2 VAL A 635 3.935 2.254 -3.615 1.00 25.00 C ATOM 0 H VAL A 635 4.531 -0.527 -4.799 1.00 25.00 H new ATOM 0 HA VAL A 635 6.431 1.603 -4.488 1.00 25.00 H new ATOM 0 HB VAL A 635 4.359 0.424 -2.642 1.00 25.00 H new ATOM 0 HG11 VAL A 635 4.843 2.316 -1.088 1.00 25.00 H new ATOM 0 HG12 VAL A 635 6.225 1.208 -1.258 1.00 25.00 H new ATOM 0 HG13 VAL A 635 6.228 2.770 -2.109 1.00 25.00 H new ATOM 0 HG21 VAL A 635 3.223 2.595 -2.863 1.00 25.00 H new ATOM 0 HG22 VAL A 635 4.469 3.112 -4.024 1.00 25.00 H new ATOM 0 HG23 VAL A 635 3.400 1.744 -4.416 1.00 25.00 H new ATOM 832 N GLU A 636 7.033 -1.290 -3.003 1.00 25.00 N ATOM 833 CA GLU A 636 8.100 -2.094 -2.361 1.00 25.00 C ATOM 834 C GLU A 636 9.381 -2.141 -3.209 1.00 25.00 C ATOM 835 O GLU A 636 10.489 -2.118 -2.666 1.00 25.00 O ATOM 836 CB GLU A 636 7.623 -3.528 -2.113 1.00 25.00 C ATOM 837 CG GLU A 636 8.661 -4.436 -1.459 1.00 25.00 C ATOM 838 CD GLU A 636 8.821 -4.240 0.042 1.00 25.00 C ATOM 839 OE1 GLU A 636 8.017 -3.476 0.617 1.00 25.00 O ATOM 840 OE2 GLU A 636 9.741 -4.837 0.642 1.00 25.00 O ATOM 0 H GLU A 636 6.201 -1.826 -3.248 1.00 25.00 H new ATOM 0 HA GLU A 636 8.328 -1.605 -1.414 1.00 25.00 H new ATOM 0 HB2 GLU A 636 6.735 -3.498 -1.481 1.00 25.00 H new ATOM 0 HB3 GLU A 636 7.322 -3.967 -3.064 1.00 25.00 H new ATOM 0 HG2 GLU A 636 8.387 -5.474 -1.649 1.00 25.00 H new ATOM 0 HG3 GLU A 636 9.625 -4.267 -1.939 1.00 25.00 H new ATOM 847 N GLY A 637 9.209 -2.206 -4.541 1.00 25.00 N ATOM 848 CA GLY A 637 10.344 -2.280 -5.462 1.00 25.00 C ATOM 849 C GLY A 637 10.972 -0.924 -5.759 1.00 25.00 C ATOM 850 O GLY A 637 12.119 -0.857 -6.209 1.00 25.00 O ATOM 0 H GLY A 637 8.297 -2.208 -4.997 1.00 25.00 H new ATOM 0 HA2 GLY A 637 11.103 -2.939 -5.040 1.00 25.00 H new ATOM 0 HA3 GLY A 637 10.014 -2.732 -6.397 1.00 25.00 H new ATOM 854 N ASP A 638 10.213 0.151 -5.506 1.00 25.00 N ATOM 855 CA ASP A 638 10.691 1.522 -5.713 1.00 25.00 C ATOM 856 C ASP A 638 11.485 2.022 -4.492 1.00 25.00 C ATOM 857 O ASP A 638 12.253 2.984 -4.598 1.00 25.00 O ATOM 858 CB ASP A 638 9.498 2.452 -6.001 1.00 25.00 C ATOM 859 CG ASP A 638 9.069 2.444 -7.462 1.00 25.00 C ATOM 860 OD1 ASP A 638 9.564 1.584 -8.221 1.00 25.00 O ATOM 861 OD2 ASP A 638 8.238 3.295 -7.842 1.00 25.00 O ATOM 0 H ASP A 638 9.257 0.094 -5.155 1.00 25.00 H new ATOM 0 HA ASP A 638 11.363 1.529 -6.571 1.00 25.00 H new ATOM 0 HB2 ASP A 638 8.654 2.152 -5.380 1.00 25.00 H new ATOM 0 HB3 ASP A 638 9.761 3.470 -5.712 1.00 25.00 H new ATOM 866 N MET A 639 11.296 1.353 -3.342 1.00 25.00 N ATOM 867 CA MET A 639 11.956 1.739 -2.082 1.00 25.00 C ATOM 868 C MET A 639 13.448 1.385 -2.081 1.00 25.00 C ATOM 869 O MET A 639 14.241 2.029 -1.393 1.00 25.00 O ATOM 870 CB MET A 639 11.296 1.055 -0.880 1.00 25.00 C ATOM 871 CG MET A 639 9.906 1.547 -0.561 1.00 25.00 C ATOM 872 SD MET A 639 9.251 0.966 1.006 1.00 25.00 S ATOM 873 CE MET A 639 9.676 -0.760 0.842 1.00 25.00 C ATOM 0 H MET A 639 10.688 0.538 -3.259 1.00 25.00 H new ATOM 0 HA MET A 639 11.847 2.821 -2.002 1.00 25.00 H new ATOM 0 HB2 MET A 639 11.253 -0.018 -1.068 1.00 25.00 H new ATOM 0 HB3 MET A 639 11.928 1.200 -0.004 1.00 25.00 H new ATOM 0 HG2 MET A 639 9.913 2.637 -0.556 1.00 25.00 H new ATOM 0 HG3 MET A 639 9.232 1.236 -1.359 1.00 25.00 H new ATOM 0 HE1 MET A 639 8.885 -1.372 1.275 1.00 25.00 H new ATOM 0 HE2 MET A 639 9.790 -1.008 -0.213 1.00 25.00 H new ATOM 0 HE3 MET A 639 10.613 -0.955 1.364 1.00 25.00 H new ATOM 883 N TYR A 640 13.816 0.358 -2.861 1.00 25.00 N ATOM 884 CA TYR A 640 15.190 -0.164 -2.891 1.00 25.00 C ATOM 885 C TYR A 640 16.146 0.797 -3.619 1.00 25.00 C ATOM 886 O TYR A 640 17.352 0.804 -3.350 1.00 25.00 O ATOM 887 CB TYR A 640 15.201 -1.544 -3.568 1.00 25.00 C ATOM 888 CG TYR A 640 16.284 -1.720 -4.616 1.00 25.00 C ATOM 889 CD1 TYR A 640 17.612 -1.909 -4.242 1.00 25.00 C ATOM 890 CD2 TYR A 640 15.983 -1.705 -5.974 1.00 25.00 C ATOM 891 CE1 TYR A 640 18.606 -2.074 -5.189 1.00 25.00 C ATOM 892 CE2 TYR A 640 16.972 -1.870 -6.926 1.00 25.00 C ATOM 893 CZ TYR A 640 18.280 -2.054 -6.527 1.00 25.00 C ATOM 894 OH TYR A 640 19.264 -2.216 -7.472 1.00 25.00 O ATOM 0 H TYR A 640 13.174 -0.131 -3.485 1.00 25.00 H new ATOM 0 HA TYR A 640 15.542 -0.258 -1.864 1.00 25.00 H new ATOM 0 HB2 TYR A 640 15.326 -2.310 -2.802 1.00 25.00 H new ATOM 0 HB3 TYR A 640 14.230 -1.714 -4.034 1.00 25.00 H new ATOM 0 HD1 TYR A 640 17.870 -1.927 -3.193 1.00 25.00 H new ATOM 0 HD2 TYR A 640 14.960 -1.562 -6.290 1.00 25.00 H new ATOM 0 HE1 TYR A 640 19.631 -2.218 -4.881 1.00 25.00 H new ATOM 0 HE2 TYR A 640 16.722 -1.855 -7.977 1.00 25.00 H new ATOM 0 HH TYR A 640 18.867 -2.178 -8.367 1.00 25.00 H new ATOM 904 N GLU A 641 15.590 1.602 -4.536 1.00 25.00 N ATOM 905 CA GLU A 641 16.362 2.603 -5.287 1.00 25.00 C ATOM 906 C GLU A 641 16.420 3.948 -4.549 1.00 25.00 C ATOM 907 O GLU A 641 17.364 4.723 -4.735 1.00 25.00 O ATOM 908 CB GLU A 641 15.760 2.808 -6.684 1.00 25.00 C ATOM 909 CG GLU A 641 15.964 1.636 -7.628 1.00 25.00 C ATOM 910 CD GLU A 641 15.395 1.891 -9.010 1.00 25.00 C ATOM 911 OE1 GLU A 641 14.890 3.009 -9.248 1.00 25.00 O ATOM 912 OE2 GLU A 641 15.453 0.973 -9.856 1.00 25.00 O ATOM 0 H GLU A 641 14.599 1.578 -4.777 1.00 25.00 H new ATOM 0 HA GLU A 641 17.379 2.223 -5.381 1.00 25.00 H new ATOM 0 HB2 GLU A 641 14.691 2.997 -6.583 1.00 25.00 H new ATOM 0 HB3 GLU A 641 16.200 3.700 -7.130 1.00 25.00 H new ATOM 0 HG2 GLU A 641 17.030 1.424 -7.712 1.00 25.00 H new ATOM 0 HG3 GLU A 641 15.495 0.748 -7.205 1.00 25.00 H new ATOM 919 N SER A 642 15.407 4.214 -3.708 1.00 25.00 N ATOM 920 CA SER A 642 15.291 5.489 -2.989 1.00 25.00 C ATOM 921 C SER A 642 15.910 5.422 -1.588 1.00 25.00 C ATOM 922 O SER A 642 16.468 6.413 -1.106 1.00 25.00 O ATOM 923 CB SER A 642 13.819 5.904 -2.887 1.00 25.00 C ATOM 924 OG SER A 642 13.047 4.901 -2.250 1.00 25.00 O ATOM 0 H SER A 642 14.653 3.556 -3.510 1.00 25.00 H new ATOM 0 HA SER A 642 15.846 6.234 -3.559 1.00 25.00 H new ATOM 0 HB2 SER A 642 13.739 6.837 -2.329 1.00 25.00 H new ATOM 0 HB3 SER A 642 13.422 6.094 -3.884 1.00 25.00 H new ATOM 0 HG SER A 642 12.113 5.192 -2.197 1.00 25.00 H new ATOM 930 N ALA A 643 15.811 4.251 -0.943 1.00 25.00 N ATOM 931 CA ALA A 643 16.330 4.055 0.414 1.00 25.00 C ATOM 932 C ALA A 643 17.729 3.433 0.396 1.00 25.00 C ATOM 933 O ALA A 643 18.031 2.587 -0.452 1.00 25.00 O ATOM 934 CB ALA A 643 15.380 3.181 1.217 1.00 25.00 C ATOM 0 H ALA A 643 15.373 3.422 -1.344 1.00 25.00 H new ATOM 0 HA ALA A 643 16.405 5.034 0.887 1.00 25.00 H new ATOM 0 HB1 ALA A 643 15.776 3.042 2.223 1.00 25.00 H new ATOM 0 HB2 ALA A 643 14.404 3.662 1.274 1.00 25.00 H new ATOM 0 HB3 ALA A 643 15.279 2.211 0.730 1.00 25.00 H new ATOM 940 N ASN A 644 18.573 3.864 1.342 1.00 25.00 N ATOM 941 CA ASN A 644 19.940 3.342 1.477 1.00 25.00 C ATOM 942 C ASN A 644 20.070 2.393 2.682 1.00 25.00 C ATOM 943 O ASN A 644 21.034 1.627 2.775 1.00 25.00 O ATOM 944 CB ASN A 644 20.958 4.498 1.591 1.00 25.00 C ATOM 945 CG ASN A 644 21.071 5.344 0.327 1.00 25.00 C ATOM 946 OD1 ASN A 644 21.560 4.880 -0.702 1.00 25.00 O ATOM 947 ND2 ASN A 644 20.608 6.586 0.404 1.00 25.00 N ATOM 0 H ASN A 644 18.331 4.578 2.030 1.00 25.00 H new ATOM 0 HA ASN A 644 20.160 2.768 0.577 1.00 25.00 H new ATOM 0 HB2 ASN A 644 20.672 5.141 2.423 1.00 25.00 H new ATOM 0 HB3 ASN A 644 21.938 4.085 1.830 1.00 25.00 H new ATOM 0 HD21 ASN A 644 20.650 7.197 -0.411 1.00 25.00 H new ATOM 0 HD22 ASN A 644 20.211 6.929 1.279 1.00 25.00 H new ATOM 954 N SER A 645 19.087 2.457 3.591 1.00 25.00 N ATOM 955 CA SER A 645 19.085 1.647 4.812 1.00 25.00 C ATOM 956 C SER A 645 17.720 0.976 5.011 1.00 25.00 C ATOM 957 O SER A 645 16.721 1.398 4.420 1.00 25.00 O ATOM 958 CB SER A 645 19.433 2.523 6.027 1.00 25.00 C ATOM 959 OG SER A 645 18.424 3.493 6.274 1.00 25.00 O ATOM 0 H SER A 645 18.276 3.069 3.499 1.00 25.00 H new ATOM 0 HA SER A 645 19.839 0.866 4.713 1.00 25.00 H new ATOM 0 HB2 SER A 645 19.557 1.893 6.908 1.00 25.00 H new ATOM 0 HB3 SER A 645 20.386 3.023 5.856 1.00 25.00 H new ATOM 0 HG SER A 645 18.673 4.033 7.053 1.00 25.00 H new ATOM 965 N ARG A 646 17.695 -0.071 5.854 1.00 25.00 N ATOM 966 CA ARG A 646 16.481 -0.867 6.093 1.00 25.00 C ATOM 967 C ARG A 646 15.469 -0.119 6.983 1.00 25.00 C ATOM 968 O ARG A 646 14.287 -0.473 7.011 1.00 25.00 O ATOM 969 CB ARG A 646 16.854 -2.217 6.729 1.00 25.00 C ATOM 970 CG ARG A 646 17.781 -2.103 7.942 1.00 25.00 C ATOM 971 CD ARG A 646 17.406 -3.084 9.044 1.00 25.00 C ATOM 972 NE ARG A 646 16.523 -2.480 10.053 1.00 25.00 N ATOM 973 CZ ARG A 646 16.086 -3.098 11.161 1.00 25.00 C ATOM 974 NH1 ARG A 646 16.433 -4.355 11.434 1.00 25.00 N ATOM 975 NH2 ARG A 646 15.293 -2.446 12.002 1.00 25.00 N ATOM 0 H ARG A 646 18.508 -0.386 6.384 1.00 25.00 H new ATOM 0 HA ARG A 646 16.003 -1.040 5.129 1.00 25.00 H new ATOM 0 HB2 ARG A 646 15.940 -2.729 7.031 1.00 25.00 H new ATOM 0 HB3 ARG A 646 17.335 -2.841 5.975 1.00 25.00 H new ATOM 0 HG2 ARG A 646 18.809 -2.285 7.630 1.00 25.00 H new ATOM 0 HG3 ARG A 646 17.742 -1.086 8.333 1.00 25.00 H new ATOM 0 HD2 ARG A 646 16.912 -3.950 8.604 1.00 25.00 H new ATOM 0 HD3 ARG A 646 18.313 -3.447 9.528 1.00 25.00 H new ATOM 0 HE ARG A 646 16.220 -1.518 9.899 1.00 25.00 H new ATOM 0 HH11 ARG A 646 17.042 -4.866 10.795 1.00 25.00 H new ATOM 0 HH12 ARG A 646 16.090 -4.806 12.282 1.00 25.00 H new ATOM 0 HH21 ARG A 646 15.021 -1.483 11.804 1.00 25.00 H new ATOM 0 HH22 ARG A 646 14.956 -2.908 12.847 1.00 25.00 H new ATOM 989 N ASP A 647 15.946 0.905 7.707 1.00 25.00 N ATOM 990 CA ASP A 647 15.087 1.717 8.583 1.00 25.00 C ATOM 991 C ASP A 647 14.318 2.782 7.790 1.00 25.00 C ATOM 992 O ASP A 647 13.237 3.206 8.205 1.00 25.00 O ATOM 993 CB ASP A 647 15.917 2.382 9.690 1.00 25.00 C ATOM 994 CG ASP A 647 16.434 1.387 10.714 1.00 25.00 C ATOM 995 OD1 ASP A 647 15.970 0.227 10.702 1.00 25.00 O ATOM 996 OD2 ASP A 647 17.302 1.767 11.527 1.00 25.00 O ATOM 0 H ASP A 647 16.925 1.191 7.703 1.00 25.00 H new ATOM 0 HA ASP A 647 14.360 1.046 9.039 1.00 25.00 H new ATOM 0 HB2 ASP A 647 16.761 2.906 9.241 1.00 25.00 H new ATOM 0 HB3 ASP A 647 15.308 3.132 10.194 1.00 25.00 H new ATOM 1001 N GLU A 648 14.889 3.205 6.650 1.00 25.00 N ATOM 1002 CA GLU A 648 14.229 4.144 5.736 1.00 25.00 C ATOM 1003 C GLU A 648 13.312 3.379 4.767 1.00 25.00 C ATOM 1004 O GLU A 648 12.169 3.776 4.548 1.00 25.00 O ATOM 1005 CB GLU A 648 15.292 4.975 4.980 1.00 25.00 C ATOM 1006 CG GLU A 648 16.156 5.884 5.858 1.00 25.00 C ATOM 1007 CD GLU A 648 15.337 6.905 6.626 1.00 25.00 C ATOM 1008 OE1 GLU A 648 14.489 7.577 6.003 1.00 25.00 O ATOM 1009 OE2 GLU A 648 15.544 7.031 7.852 1.00 25.00 O ATOM 0 H GLU A 648 15.814 2.907 6.340 1.00 25.00 H new ATOM 0 HA GLU A 648 13.607 4.834 6.306 1.00 25.00 H new ATOM 0 HB2 GLU A 648 15.946 4.292 4.438 1.00 25.00 H new ATOM 0 HB3 GLU A 648 14.787 5.590 4.235 1.00 25.00 H new ATOM 0 HG2 GLU A 648 16.720 5.273 6.562 1.00 25.00 H new ATOM 0 HG3 GLU A 648 16.883 6.403 5.233 1.00 25.00 H new ATOM 1016 N TYR A 649 13.828 2.267 4.215 1.00 25.00 N ATOM 1017 CA TYR A 649 13.069 1.374 3.321 1.00 25.00 C ATOM 1018 C TYR A 649 11.724 0.947 3.955 1.00 25.00 C ATOM 1019 O TYR A 649 10.666 1.088 3.334 1.00 25.00 O ATOM 1020 CB TYR A 649 13.973 0.159 2.970 1.00 25.00 C ATOM 1021 CG TYR A 649 13.370 -0.900 2.057 1.00 25.00 C ATOM 1022 CD1 TYR A 649 13.416 -0.740 0.679 1.00 25.00 C ATOM 1023 CD2 TYR A 649 12.762 -2.040 2.566 1.00 25.00 C ATOM 1024 CE1 TYR A 649 12.881 -1.683 -0.167 1.00 25.00 C ATOM 1025 CE2 TYR A 649 12.220 -2.992 1.722 1.00 25.00 C ATOM 1026 CZ TYR A 649 12.282 -2.807 0.356 1.00 25.00 C ATOM 1027 OH TYR A 649 11.744 -3.753 -0.489 1.00 25.00 O ATOM 0 H TYR A 649 14.787 1.961 4.377 1.00 25.00 H new ATOM 0 HA TYR A 649 12.805 1.899 2.403 1.00 25.00 H new ATOM 0 HB2 TYR A 649 14.882 0.535 2.501 1.00 25.00 H new ATOM 0 HB3 TYR A 649 14.271 -0.324 3.901 1.00 25.00 H new ATOM 0 HD1 TYR A 649 13.881 0.142 0.263 1.00 25.00 H new ATOM 0 HD2 TYR A 649 12.712 -2.185 3.635 1.00 25.00 H new ATOM 0 HE1 TYR A 649 12.930 -1.543 -1.237 1.00 25.00 H new ATOM 0 HE2 TYR A 649 11.751 -3.875 2.130 1.00 25.00 H new ATOM 0 HH TYR A 649 11.318 -4.460 0.040 1.00 25.00 H new ATOM 1037 N TYR A 650 11.792 0.427 5.188 1.00 25.00 N ATOM 1038 CA TYR A 650 10.606 -0.001 5.937 1.00 25.00 C ATOM 1039 C TYR A 650 9.751 1.183 6.442 1.00 25.00 C ATOM 1040 O TYR A 650 8.589 0.991 6.812 1.00 25.00 O ATOM 1041 CB TYR A 650 11.042 -0.883 7.115 1.00 25.00 C ATOM 1042 CG TYR A 650 11.693 -2.187 6.695 1.00 25.00 C ATOM 1043 CD1 TYR A 650 12.837 -2.655 7.338 1.00 25.00 C ATOM 1044 CD2 TYR A 650 11.173 -2.944 5.651 1.00 25.00 C ATOM 1045 CE1 TYR A 650 13.439 -3.830 6.956 1.00 25.00 C ATOM 1046 CE2 TYR A 650 11.771 -4.127 5.266 1.00 25.00 C ATOM 1047 CZ TYR A 650 12.902 -4.566 5.921 1.00 25.00 C ATOM 1048 OH TYR A 650 13.497 -5.745 5.541 1.00 25.00 O ATOM 0 H TYR A 650 12.669 0.292 5.692 1.00 25.00 H new ATOM 0 HA TYR A 650 9.974 -0.567 5.253 1.00 25.00 H new ATOM 0 HB2 TYR A 650 11.740 -0.323 7.737 1.00 25.00 H new ATOM 0 HB3 TYR A 650 10.172 -1.105 7.733 1.00 25.00 H new ATOM 0 HD1 TYR A 650 13.259 -2.084 8.152 1.00 25.00 H new ATOM 0 HD2 TYR A 650 10.289 -2.602 5.134 1.00 25.00 H new ATOM 0 HE1 TYR A 650 14.328 -4.175 7.464 1.00 25.00 H new ATOM 0 HE2 TYR A 650 11.355 -4.706 4.455 1.00 25.00 H new ATOM 0 HH TYR A 650 12.994 -6.141 4.798 1.00 25.00 H new ATOM 1058 N HIS A 651 10.328 2.397 6.450 1.00 25.00 N ATOM 1059 CA HIS A 651 9.610 3.610 6.885 1.00 25.00 C ATOM 1060 C HIS A 651 8.785 4.204 5.734 1.00 25.00 C ATOM 1061 O HIS A 651 7.688 4.725 5.952 1.00 25.00 O ATOM 1062 CB HIS A 651 10.609 4.651 7.424 1.00 25.00 C ATOM 1063 CG HIS A 651 10.438 4.992 8.882 1.00 25.00 C ATOM 1064 ND1 HIS A 651 10.938 4.205 9.900 1.00 25.00 N ATOM 1065 CD2 HIS A 651 9.807 6.029 9.491 1.00 25.00 C ATOM 1066 CE1 HIS A 651 10.622 4.740 11.066 1.00 25.00 C ATOM 1067 NE2 HIS A 651 9.937 5.847 10.845 1.00 25.00 N ATOM 0 H HIS A 651 11.291 2.566 6.160 1.00 25.00 H new ATOM 0 HA HIS A 651 8.922 3.333 7.684 1.00 25.00 H new ATOM 0 HB2 HIS A 651 11.621 4.278 7.269 1.00 25.00 H new ATOM 0 HB3 HIS A 651 10.513 5.565 6.837 1.00 25.00 H new ATOM 0 HD1 HIS A 651 11.469 3.344 9.772 1.00 25.00 H new ATOM 0 HD2 HIS A 651 9.297 6.845 9.001 1.00 25.00 H new ATOM 0 HE1 HIS A 651 10.880 4.340 12.035 1.00 25.00 H new ATOM 1076 N LEU A 652 9.337 4.118 4.518 1.00 25.00 N ATOM 1077 CA LEU A 652 8.674 4.556 3.284 1.00 25.00 C ATOM 1078 C LEU A 652 7.375 3.785 3.009 1.00 25.00 C ATOM 1079 O LEU A 652 6.388 4.362 2.546 1.00 25.00 O ATOM 1080 CB LEU A 652 9.647 4.358 2.131 1.00 25.00 C ATOM 1081 CG LEU A 652 10.889 5.271 2.062 1.00 25.00 C ATOM 1082 CD1 LEU A 652 11.832 4.926 0.912 1.00 25.00 C ATOM 1083 CD2 LEU A 652 10.420 6.703 1.918 1.00 25.00 C ATOM 0 H LEU A 652 10.270 3.737 4.361 1.00 25.00 H new ATOM 0 HA LEU A 652 8.398 5.605 3.392 1.00 25.00 H new ATOM 0 HB2 LEU A 652 9.994 3.325 2.161 1.00 25.00 H new ATOM 0 HB3 LEU A 652 9.091 4.480 1.201 1.00 25.00 H new ATOM 0 HG LEU A 652 11.457 5.124 2.981 1.00 25.00 H new ATOM 0 HD11 LEU A 652 12.683 5.607 0.923 1.00 25.00 H new ATOM 0 HD12 LEU A 652 12.185 3.901 1.026 1.00 25.00 H new ATOM 0 HD13 LEU A 652 11.302 5.023 -0.035 1.00 25.00 H new ATOM 0 HD21 LEU A 652 11.284 7.366 1.867 1.00 25.00 H new ATOM 0 HD22 LEU A 652 9.832 6.803 1.006 1.00 25.00 H new ATOM 0 HD23 LEU A 652 9.806 6.973 2.777 1.00 25.00 H new ATOM 1095 N LEU A 653 7.402 2.475 3.289 1.00 25.00 N ATOM 1096 CA LEU A 653 6.228 1.602 3.127 1.00 25.00 C ATOM 1097 C LEU A 653 5.217 1.760 4.275 1.00 25.00 C ATOM 1098 O LEU A 653 4.013 1.580 4.072 1.00 25.00 O ATOM 1099 CB LEU A 653 6.668 0.134 3.032 1.00 25.00 C ATOM 1100 CG LEU A 653 5.637 -0.844 2.447 1.00 25.00 C ATOM 1101 CD1 LEU A 653 5.730 -0.858 0.938 1.00 25.00 C ATOM 1102 CD2 LEU A 653 5.830 -2.255 2.984 1.00 25.00 C ATOM 0 H LEU A 653 8.232 1.991 3.632 1.00 25.00 H new ATOM 0 HA LEU A 653 5.733 1.904 2.204 1.00 25.00 H new ATOM 0 HB2 LEU A 653 7.571 0.085 2.424 1.00 25.00 H new ATOM 0 HB3 LEU A 653 6.938 -0.209 4.031 1.00 25.00 H new ATOM 0 HG LEU A 653 4.649 -0.499 2.751 1.00 25.00 H new ATOM 0 HD11 LEU A 653 4.995 -1.554 0.535 1.00 25.00 H new ATOM 0 HD12 LEU A 653 5.532 0.142 0.552 1.00 25.00 H new ATOM 0 HD13 LEU A 653 6.730 -1.172 0.638 1.00 25.00 H new ATOM 0 HD21 LEU A 653 5.082 -2.916 2.547 1.00 25.00 H new ATOM 0 HD22 LEU A 653 6.826 -2.611 2.722 1.00 25.00 H new ATOM 0 HD23 LEU A 653 5.720 -2.250 4.068 1.00 25.00 H new ATOM 1114 N ALA A 654 5.717 2.102 5.474 1.00 25.00 N ATOM 1115 CA ALA A 654 4.869 2.270 6.664 1.00 25.00 C ATOM 1116 C ALA A 654 4.199 3.648 6.703 1.00 25.00 C ATOM 1117 O ALA A 654 3.135 3.803 7.311 1.00 25.00 O ATOM 1118 CB ALA A 654 5.686 2.050 7.928 1.00 25.00 C ATOM 0 H ALA A 654 6.709 2.268 5.644 1.00 25.00 H new ATOM 0 HA ALA A 654 4.078 1.522 6.609 1.00 25.00 H new ATOM 0 HB1 ALA A 654 5.046 2.177 8.801 1.00 25.00 H new ATOM 0 HB2 ALA A 654 6.098 1.041 7.924 1.00 25.00 H new ATOM 0 HB3 ALA A 654 6.500 2.774 7.966 1.00 25.00 H new ATOM 1124 N GLU A 655 4.824 4.644 6.050 1.00 25.00 N ATOM 1125 CA GLU A 655 4.280 6.011 6.011 1.00 25.00 C ATOM 1126 C GLU A 655 3.086 6.132 5.052 1.00 25.00 C ATOM 1127 O GLU A 655 2.173 6.912 5.313 1.00 25.00 O ATOM 1128 CB GLU A 655 5.375 7.050 5.679 1.00 25.00 C ATOM 1129 CG GLU A 655 6.345 7.362 6.817 1.00 25.00 C ATOM 1130 CD GLU A 655 7.407 8.371 6.423 1.00 25.00 C ATOM 1131 OE1 GLU A 655 7.397 8.819 5.256 1.00 25.00 O ATOM 1132 OE2 GLU A 655 8.250 8.712 7.280 1.00 25.00 O ATOM 0 H GLU A 655 5.702 4.528 5.545 1.00 25.00 H new ATOM 0 HA GLU A 655 3.909 6.230 7.012 1.00 25.00 H new ATOM 0 HB2 GLU A 655 5.947 6.690 4.824 1.00 25.00 H new ATOM 0 HB3 GLU A 655 4.892 7.977 5.371 1.00 25.00 H new ATOM 0 HG2 GLU A 655 5.786 7.745 7.671 1.00 25.00 H new ATOM 0 HG3 GLU A 655 6.828 6.440 7.140 1.00 25.00 H new ATOM 1139 N LYS A 656 3.096 5.351 3.952 1.00 25.00 N ATOM 1140 CA LYS A 656 1.919 5.228 3.063 1.00 25.00 C ATOM 1141 C LYS A 656 0.797 4.497 3.801 1.00 25.00 C ATOM 1142 O LYS A 656 -0.380 4.756 3.573 1.00 25.00 O ATOM 1143 CB LYS A 656 2.243 4.442 1.776 1.00 25.00 C ATOM 1144 CG LYS A 656 2.999 5.209 0.685 1.00 25.00 C ATOM 1145 CD LYS A 656 2.831 4.577 -0.694 1.00 25.00 C ATOM 1146 CE LYS A 656 3.370 5.484 -1.789 1.00 25.00 C ATOM 1147 NZ LYS A 656 4.857 5.577 -1.753 1.00 25.00 N ATOM 0 H LYS A 656 3.901 4.798 3.658 1.00 25.00 H new ATOM 0 HA LYS A 656 1.616 6.238 2.785 1.00 25.00 H new ATOM 0 HB2 LYS A 656 2.831 3.566 2.049 1.00 25.00 H new ATOM 0 HB3 LYS A 656 1.307 4.078 1.352 1.00 25.00 H new ATOM 0 HG2 LYS A 656 2.643 6.239 0.655 1.00 25.00 H new ATOM 0 HG3 LYS A 656 4.059 5.245 0.938 1.00 25.00 H new ATOM 0 HD2 LYS A 656 3.352 3.620 -0.723 1.00 25.00 H new ATOM 0 HD3 LYS A 656 1.776 4.372 -0.876 1.00 25.00 H new ATOM 0 HE2 LYS A 656 3.053 5.107 -2.761 1.00 25.00 H new ATOM 0 HE3 LYS A 656 2.941 6.480 -1.679 1.00 25.00 H new ATOM 0 HZ1 LYS A 656 5.204 5.937 -2.665 1.00 25.00 H new ATOM 0 HZ2 LYS A 656 5.146 6.224 -0.992 1.00 25.00 H new ATOM 0 HZ3 LYS A 656 5.260 4.634 -1.577 1.00 25.00 H new ATOM 1161 N ILE A 657 1.195 3.608 4.726 1.00 25.00 N ATOM 1162 CA ILE A 657 0.259 2.775 5.484 1.00 25.00 C ATOM 1163 C ILE A 657 -0.524 3.621 6.510 1.00 25.00 C ATOM 1164 O ILE A 657 -1.712 3.388 6.725 1.00 25.00 O ATOM 1165 CB ILE A 657 1.023 1.566 6.146 1.00 25.00 C ATOM 1166 CG1 ILE A 657 1.100 0.401 5.123 1.00 25.00 C ATOM 1167 CG2 ILE A 657 0.411 1.109 7.484 1.00 25.00 C ATOM 1168 CD1 ILE A 657 1.803 -0.869 5.602 1.00 25.00 C ATOM 0 H ILE A 657 2.174 3.450 4.966 1.00 25.00 H new ATOM 0 HA ILE A 657 -0.481 2.355 4.803 1.00 25.00 H new ATOM 0 HB ILE A 657 2.028 1.904 6.400 1.00 25.00 H new ATOM 0 HG12 ILE A 657 0.085 0.139 4.824 1.00 25.00 H new ATOM 0 HG13 ILE A 657 1.612 0.761 4.231 1.00 25.00 H new ATOM 0 HG21 ILE A 657 0.988 0.274 7.882 1.00 25.00 H new ATOM 0 HG22 ILE A 657 0.432 1.935 8.195 1.00 25.00 H new ATOM 0 HG23 ILE A 657 -0.620 0.794 7.324 1.00 25.00 H new ATOM 0 HD11 ILE A 657 1.796 -1.612 4.804 1.00 25.00 H new ATOM 0 HD12 ILE A 657 2.833 -0.635 5.871 1.00 25.00 H new ATOM 0 HD13 ILE A 657 1.282 -1.267 6.473 1.00 25.00 H new ATOM 1180 N TYR A 658 0.150 4.595 7.127 1.00 25.00 N ATOM 1181 CA TYR A 658 -0.502 5.507 8.069 1.00 25.00 C ATOM 1182 C TYR A 658 -1.200 6.649 7.314 1.00 25.00 C ATOM 1183 O TYR A 658 -2.188 7.214 7.791 1.00 25.00 O ATOM 1184 CB TYR A 658 0.530 6.077 9.055 1.00 25.00 C ATOM 1185 CG TYR A 658 1.039 5.075 10.083 1.00 25.00 C ATOM 1186 CD1 TYR A 658 2.323 4.550 9.994 1.00 25.00 C ATOM 1187 CD2 TYR A 658 0.232 4.654 11.136 1.00 25.00 C ATOM 1188 CE1 TYR A 658 2.787 3.635 10.922 1.00 25.00 C ATOM 1189 CE2 TYR A 658 0.688 3.741 12.067 1.00 25.00 C ATOM 1190 CZ TYR A 658 1.966 3.234 11.955 1.00 25.00 C ATOM 1191 OH TYR A 658 2.423 2.325 12.881 1.00 25.00 O ATOM 0 H TYR A 658 1.145 4.772 6.991 1.00 25.00 H new ATOM 0 HA TYR A 658 -1.254 4.950 8.628 1.00 25.00 H new ATOM 0 HB2 TYR A 658 1.379 6.463 8.491 1.00 25.00 H new ATOM 0 HB3 TYR A 658 0.085 6.923 9.579 1.00 25.00 H new ATOM 0 HD1 TYR A 658 2.969 4.862 9.187 1.00 25.00 H new ATOM 0 HD2 TYR A 658 -0.769 5.048 11.227 1.00 25.00 H new ATOM 0 HE1 TYR A 658 3.787 3.237 10.838 1.00 25.00 H new ATOM 0 HE2 TYR A 658 0.048 3.426 12.878 1.00 25.00 H new ATOM 0 HH TYR A 658 1.721 2.151 13.542 1.00 25.00 H new ATOM 1201 N LYS A 659 -0.666 6.961 6.127 1.00 25.00 N ATOM 1202 CA LYS A 659 -1.164 8.042 5.272 1.00 25.00 C ATOM 1203 C LYS A 659 -2.454 7.642 4.515 1.00 25.00 C ATOM 1204 O LYS A 659 -3.321 8.491 4.286 1.00 25.00 O ATOM 1205 CB LYS A 659 -0.012 8.484 4.331 1.00 25.00 C ATOM 1206 CG LYS A 659 -0.335 9.524 3.244 1.00 25.00 C ATOM 1207 CD LYS A 659 0.904 10.080 2.527 1.00 25.00 C ATOM 1208 CE LYS A 659 0.571 10.721 1.189 1.00 25.00 C ATOM 1209 NZ LYS A 659 -0.326 11.903 1.331 1.00 25.00 N ATOM 0 H LYS A 659 0.132 6.464 5.730 1.00 25.00 H new ATOM 0 HA LYS A 659 -1.462 8.893 5.885 1.00 25.00 H new ATOM 0 HB2 LYS A 659 0.791 8.884 4.950 1.00 25.00 H new ATOM 0 HB3 LYS A 659 0.378 7.594 3.838 1.00 25.00 H new ATOM 0 HG2 LYS A 659 -0.997 9.070 2.506 1.00 25.00 H new ATOM 0 HG3 LYS A 659 -0.882 10.351 3.697 1.00 25.00 H new ATOM 0 HD2 LYS A 659 1.389 10.817 3.167 1.00 25.00 H new ATOM 0 HD3 LYS A 659 1.620 9.273 2.370 1.00 25.00 H new ATOM 0 HE2 LYS A 659 1.494 11.026 0.696 1.00 25.00 H new ATOM 0 HE3 LYS A 659 0.095 9.982 0.544 1.00 25.00 H new ATOM 0 HZ1 LYS A 659 -0.523 12.304 0.392 1.00 25.00 H new ATOM 0 HZ2 LYS A 659 -1.219 11.610 1.777 1.00 25.00 H new ATOM 0 HZ3 LYS A 659 0.137 12.621 1.924 1.00 25.00 H new ATOM 1223 N ILE A 660 -2.581 6.358 4.142 1.00 25.00 N ATOM 1224 CA ILE A 660 -3.793 5.857 3.464 1.00 25.00 C ATOM 1225 C ILE A 660 -4.924 5.653 4.491 1.00 25.00 C ATOM 1226 O ILE A 660 -6.104 5.793 4.165 1.00 25.00 O ATOM 1227 CB ILE A 660 -3.509 4.536 2.673 1.00 25.00 C ATOM 1228 CG1 ILE A 660 -2.637 4.847 1.438 1.00 25.00 C ATOM 1229 CG2 ILE A 660 -4.818 3.856 2.238 1.00 25.00 C ATOM 1230 CD1 ILE A 660 -2.083 3.623 0.724 1.00 25.00 C ATOM 0 H ILE A 660 -1.864 5.649 4.297 1.00 25.00 H new ATOM 0 HA ILE A 660 -4.108 6.604 2.736 1.00 25.00 H new ATOM 0 HB ILE A 660 -2.977 3.849 3.331 1.00 25.00 H new ATOM 0 HG12 ILE A 660 -3.229 5.427 0.730 1.00 25.00 H new ATOM 0 HG13 ILE A 660 -1.804 5.477 1.748 1.00 25.00 H new ATOM 0 HG21 ILE A 660 -4.589 2.942 1.691 1.00 25.00 H new ATOM 0 HG22 ILE A 660 -5.412 3.613 3.119 1.00 25.00 H new ATOM 0 HG23 ILE A 660 -5.383 4.531 1.595 1.00 25.00 H new ATOM 0 HD11 ILE A 660 -1.484 3.940 -0.130 1.00 25.00 H new ATOM 0 HD12 ILE A 660 -1.460 3.051 1.412 1.00 25.00 H new ATOM 0 HD13 ILE A 660 -2.907 3.000 0.377 1.00 25.00 H new ATOM 1242 N GLN A 661 -4.535 5.334 5.729 1.00 25.00 N ATOM 1243 CA GLN A 661 -5.466 5.213 6.860 1.00 25.00 C ATOM 1244 C GLN A 661 -6.162 6.550 7.186 1.00 25.00 C ATOM 1245 O GLN A 661 -7.216 6.562 7.821 1.00 25.00 O ATOM 1246 CB GLN A 661 -4.709 4.695 8.089 1.00 25.00 C ATOM 1247 CG GLN A 661 -4.439 3.185 8.079 1.00 25.00 C ATOM 1248 CD GLN A 661 -3.496 2.678 9.166 1.00 25.00 C ATOM 1249 OE1 GLN A 661 -3.015 3.462 9.983 1.00 25.00 O ATOM 1250 NE2 GLN A 661 -3.231 1.381 9.194 1.00 25.00 N ATOM 0 H GLN A 661 -3.563 5.151 5.978 1.00 25.00 H new ATOM 0 HA GLN A 661 -6.247 4.506 6.579 1.00 25.00 H new ATOM 0 HB2 GLN A 661 -3.757 5.221 8.162 1.00 25.00 H new ATOM 0 HB3 GLN A 661 -5.280 4.943 8.983 1.00 25.00 H new ATOM 0 HG2 GLN A 661 -5.391 2.663 8.176 1.00 25.00 H new ATOM 0 HG3 GLN A 661 -4.025 2.914 7.108 1.00 25.00 H new ATOM 0 HE21 GLN A 661 -3.648 0.760 8.500 1.00 25.00 H new ATOM 0 HE22 GLN A 661 -2.610 1.003 9.909 1.00 25.00 H new ATOM 1259 N LYS A 662 -5.566 7.667 6.724 1.00 25.00 N ATOM 1260 CA LYS A 662 -6.107 9.018 6.965 1.00 25.00 C ATOM 1261 C LYS A 662 -7.329 9.318 6.086 1.00 25.00 C ATOM 1262 O LYS A 662 -8.322 9.873 6.567 1.00 25.00 O ATOM 1263 CB LYS A 662 -5.040 10.094 6.703 1.00 25.00 C ATOM 1264 CG LYS A 662 -5.497 11.557 6.854 1.00 25.00 C ATOM 1265 CD LYS A 662 -4.374 12.591 6.705 1.00 25.00 C ATOM 1266 CE LYS A 662 -4.882 14.009 6.824 1.00 25.00 C ATOM 1267 NZ LYS A 662 -5.566 14.261 8.122 1.00 25.00 N ATOM 0 H LYS A 662 -4.704 7.659 6.178 1.00 25.00 H new ATOM 0 HA LYS A 662 -6.412 9.042 8.011 1.00 25.00 H new ATOM 0 HB2 LYS A 662 -4.207 9.923 7.385 1.00 25.00 H new ATOM 0 HB3 LYS A 662 -4.657 9.957 5.692 1.00 25.00 H new ATOM 0 HG2 LYS A 662 -6.265 11.763 6.109 1.00 25.00 H new ATOM 0 HG3 LYS A 662 -5.961 11.681 7.833 1.00 25.00 H new ATOM 0 HD2 LYS A 662 -3.616 12.414 7.468 1.00 25.00 H new ATOM 0 HD3 LYS A 662 -3.889 12.461 5.738 1.00 25.00 H new ATOM 0 HE2 LYS A 662 -4.047 14.701 6.716 1.00 25.00 H new ATOM 0 HE3 LYS A 662 -5.573 14.214 6.007 1.00 25.00 H new ATOM 0 HZ1 LYS A 662 -5.730 15.282 8.236 1.00 25.00 H new ATOM 0 HZ2 LYS A 662 -6.477 13.760 8.137 1.00 25.00 H new ATOM 0 HZ3 LYS A 662 -4.969 13.917 8.901 1.00 25.00 H new ATOM 1281 N GLU A 663 -7.243 8.947 4.796 1.00 25.00 N ATOM 1282 CA GLU A 663 -8.284 9.243 3.804 1.00 25.00 C ATOM 1283 C GLU A 663 -9.604 8.512 4.104 1.00 25.00 C ATOM 1284 O GLU A 663 -10.689 9.039 3.840 1.00 25.00 O ATOM 1285 CB GLU A 663 -7.749 8.913 2.394 1.00 25.00 C ATOM 1286 CG GLU A 663 -6.519 9.698 1.934 1.00 25.00 C ATOM 1287 CD GLU A 663 -6.698 11.197 2.068 1.00 25.00 C ATOM 1288 OE1 GLU A 663 -7.711 11.719 1.559 1.00 25.00 O ATOM 1289 OE2 GLU A 663 -5.826 11.848 2.681 1.00 25.00 O ATOM 0 H GLU A 663 -6.448 8.434 4.415 1.00 25.00 H new ATOM 0 HA GLU A 663 -8.520 10.306 3.855 1.00 25.00 H new ATOM 0 HB2 GLU A 663 -7.509 7.850 2.359 1.00 25.00 H new ATOM 0 HB3 GLU A 663 -8.551 9.082 1.676 1.00 25.00 H new ATOM 0 HG2 GLU A 663 -5.654 9.386 2.519 1.00 25.00 H new ATOM 0 HG3 GLU A 663 -6.305 9.453 0.894 1.00 25.00 H new ATOM 1296 N LEU A 664 -9.486 7.294 4.654 1.00 25.00 N ATOM 1297 CA LEU A 664 -10.652 6.513 5.114 1.00 25.00 C ATOM 1298 C LEU A 664 -11.399 7.207 6.270 1.00 25.00 C ATOM 1299 O LEU A 664 -12.585 6.945 6.492 1.00 25.00 O ATOM 1300 CB LEU A 664 -10.239 5.086 5.557 1.00 25.00 C ATOM 1301 CG LEU A 664 -9.635 4.133 4.488 1.00 25.00 C ATOM 1302 CD1 LEU A 664 -9.199 2.797 5.087 1.00 25.00 C ATOM 1303 CD2 LEU A 664 -10.595 3.909 3.329 1.00 25.00 C ATOM 0 H LEU A 664 -8.592 6.824 4.793 1.00 25.00 H new ATOM 0 HA LEU A 664 -11.326 6.444 4.260 1.00 25.00 H new ATOM 0 HB2 LEU A 664 -9.513 5.185 6.364 1.00 25.00 H new ATOM 0 HB3 LEU A 664 -11.119 4.600 5.978 1.00 25.00 H new ATOM 0 HG LEU A 664 -8.744 4.629 4.102 1.00 25.00 H new ATOM 0 HD11 LEU A 664 -8.784 2.165 4.302 1.00 25.00 H new ATOM 0 HD12 LEU A 664 -8.442 2.971 5.852 1.00 25.00 H new ATOM 0 HD13 LEU A 664 -10.060 2.301 5.535 1.00 25.00 H new ATOM 0 HD21 LEU A 664 -10.138 3.238 2.602 1.00 25.00 H new ATOM 0 HD22 LEU A 664 -11.518 3.466 3.702 1.00 25.00 H new ATOM 0 HD23 LEU A 664 -10.818 4.863 2.852 1.00 25.00 H new ATOM 1315 N GLU A 665 -10.692 8.084 7.001 1.00 25.00 N ATOM 1316 CA GLU A 665 -11.300 8.894 8.066 1.00 25.00 C ATOM 1317 C GLU A 665 -11.915 10.189 7.517 1.00 25.00 C ATOM 1318 O GLU A 665 -12.739 10.820 8.186 1.00 25.00 O ATOM 1319 CB GLU A 665 -10.280 9.216 9.162 1.00 25.00 C ATOM 1320 CG GLU A 665 -9.837 8.010 9.997 1.00 25.00 C ATOM 1321 CD GLU A 665 -8.856 8.352 11.106 1.00 25.00 C ATOM 1322 OE1 GLU A 665 -8.555 9.551 11.279 1.00 25.00 O ATOM 1323 OE2 GLU A 665 -8.397 7.423 11.805 1.00 25.00 O ATOM 0 H GLU A 665 -9.694 8.250 6.872 1.00 25.00 H new ATOM 0 HA GLU A 665 -12.104 8.299 8.500 1.00 25.00 H new ATOM 0 HB2 GLU A 665 -9.400 9.664 8.701 1.00 25.00 H new ATOM 0 HB3 GLU A 665 -10.707 9.965 9.828 1.00 25.00 H new ATOM 0 HG2 GLU A 665 -10.718 7.542 10.437 1.00 25.00 H new ATOM 0 HG3 GLU A 665 -9.381 7.272 9.337 1.00 25.00 H new ATOM 1694 N SER B 536 -8.278 8.823 -4.562 1.00 25.00 N ATOM 1695 CA SER B 536 -9.626 8.860 -5.131 1.00 25.00 C ATOM 1696 C SER B 536 -10.039 7.487 -5.671 1.00 25.00 C ATOM 1697 O SER B 536 -11.229 7.221 -5.868 1.00 25.00 O ATOM 1698 CB SER B 536 -9.701 9.905 -6.237 1.00 25.00 C ATOM 1699 OG SER B 536 -8.780 9.621 -7.276 1.00 25.00 O ATOM 0 HA SER B 536 -10.320 9.132 -4.336 1.00 25.00 H new ATOM 0 HB2 SER B 536 -10.712 9.936 -6.643 1.00 25.00 H new ATOM 0 HB3 SER B 536 -9.493 10.892 -5.823 1.00 25.00 H new ATOM 0 HG SER B 536 -7.987 9.185 -6.900 1.00 25.00 H new ATOM 1705 N ILE B 537 -9.040 6.623 -5.899 1.00 25.00 N ATOM 1706 CA ILE B 537 -9.268 5.256 -6.383 1.00 25.00 C ATOM 1707 C ILE B 537 -9.518 4.295 -5.209 1.00 25.00 C ATOM 1708 O ILE B 537 -10.281 3.336 -5.348 1.00 25.00 O ATOM 1709 CB ILE B 537 -8.061 4.749 -7.256 1.00 25.00 C ATOM 1710 CG1 ILE B 537 -7.881 5.600 -8.550 1.00 25.00 C ATOM 1711 CG2 ILE B 537 -8.176 3.254 -7.605 1.00 25.00 C ATOM 1712 CD1 ILE B 537 -6.582 5.378 -9.330 1.00 25.00 C ATOM 0 H ILE B 537 -8.057 6.851 -5.754 1.00 25.00 H new ATOM 0 HA ILE B 537 -10.157 5.275 -7.013 1.00 25.00 H new ATOM 0 HB ILE B 537 -7.170 4.875 -6.641 1.00 25.00 H new ATOM 0 HG12 ILE B 537 -8.720 5.394 -9.215 1.00 25.00 H new ATOM 0 HG13 ILE B 537 -7.942 6.654 -8.278 1.00 25.00 H new ATOM 0 HG21 ILE B 537 -7.319 2.954 -8.208 1.00 25.00 H new ATOM 0 HG22 ILE B 537 -8.197 2.667 -6.687 1.00 25.00 H new ATOM 0 HG23 ILE B 537 -9.094 3.081 -8.167 1.00 25.00 H new ATOM 0 HD11 ILE B 537 -6.570 6.024 -10.208 1.00 25.00 H new ATOM 0 HD12 ILE B 537 -5.730 5.616 -8.693 1.00 25.00 H new ATOM 0 HD13 ILE B 537 -6.520 4.336 -9.645 1.00 25.00 H new ATOM 1724 N ALA B 538 -8.878 4.563 -4.061 1.00 25.00 N ATOM 1725 CA ALA B 538 -8.989 3.686 -2.891 1.00 25.00 C ATOM 1726 C ALA B 538 -10.261 3.939 -2.080 1.00 25.00 C ATOM 1727 O ALA B 538 -10.613 3.155 -1.192 1.00 25.00 O ATOM 1728 CB ALA B 538 -7.749 3.802 -2.015 1.00 25.00 C ATOM 0 H ALA B 538 -8.281 5.378 -3.920 1.00 25.00 H new ATOM 0 HA ALA B 538 -9.060 2.665 -3.265 1.00 25.00 H new ATOM 0 HB1 ALA B 538 -7.850 3.144 -1.152 1.00 25.00 H new ATOM 0 HB2 ALA B 538 -6.869 3.514 -2.590 1.00 25.00 H new ATOM 0 HB3 ALA B 538 -7.639 4.832 -1.675 1.00 25.00 H new ATOM 1734 N ASP B 539 -10.934 5.035 -2.404 1.00 25.00 N ATOM 1735 CA ASP B 539 -12.227 5.378 -1.804 1.00 25.00 C ATOM 1736 C ASP B 539 -13.366 4.937 -2.738 1.00 25.00 C ATOM 1737 O ASP B 539 -14.527 4.846 -2.325 1.00 25.00 O ATOM 1738 CB ASP B 539 -12.285 6.891 -1.510 1.00 25.00 C ATOM 1739 CG ASP B 539 -11.481 7.309 -0.286 1.00 25.00 C ATOM 1740 OD1 ASP B 539 -11.107 6.422 0.507 1.00 25.00 O ATOM 1741 OD2 ASP B 539 -11.223 8.522 -0.130 1.00 25.00 O ATOM 0 H ASP B 539 -10.604 5.714 -3.089 1.00 25.00 H new ATOM 0 HA ASP B 539 -12.346 4.851 -0.857 1.00 25.00 H new ATOM 0 HB2 ASP B 539 -11.916 7.435 -2.379 1.00 25.00 H new ATOM 0 HB3 ASP B 539 -13.325 7.185 -1.368 1.00 25.00 H new ATOM 1746 N MET B 540 -13.001 4.663 -3.995 1.00 25.00 N ATOM 1747 CA MET B 540 -13.910 4.091 -4.989 1.00 25.00 C ATOM 1748 C MET B 540 -13.837 2.560 -4.974 1.00 25.00 C ATOM 1749 O MET B 540 -14.800 1.877 -5.334 1.00 25.00 O ATOM 1750 CB MET B 540 -13.547 4.605 -6.382 1.00 25.00 C ATOM 1751 CG MET B 540 -13.847 6.088 -6.595 1.00 25.00 C ATOM 1752 SD MET B 540 -15.614 6.478 -6.554 1.00 25.00 S ATOM 1753 CE MET B 540 -16.210 5.708 -8.061 1.00 25.00 C ATOM 0 H MET B 540 -12.061 4.834 -4.352 1.00 25.00 H new ATOM 0 HA MET B 540 -14.926 4.396 -4.740 1.00 25.00 H new ATOM 0 HB2 MET B 540 -12.485 4.431 -6.557 1.00 25.00 H new ATOM 0 HB3 MET B 540 -14.092 4.024 -7.126 1.00 25.00 H new ATOM 0 HG2 MET B 540 -13.337 6.668 -5.826 1.00 25.00 H new ATOM 0 HG3 MET B 540 -13.436 6.400 -7.555 1.00 25.00 H new ATOM 0 HE1 MET B 540 -17.231 6.035 -8.257 1.00 25.00 H new ATOM 0 HE2 MET B 540 -15.570 5.997 -8.895 1.00 25.00 H new ATOM 0 HE3 MET B 540 -16.191 4.624 -7.948 1.00 25.00 H new ATOM 1763 N ASP B 541 -12.677 2.045 -4.550 1.00 25.00 N ATOM 1764 CA ASP B 541 -12.415 0.606 -4.497 1.00 25.00 C ATOM 1765 C ASP B 541 -12.842 0.003 -3.146 1.00 25.00 C ATOM 1766 O ASP B 541 -13.053 -1.210 -3.049 1.00 25.00 O ATOM 1767 CB ASP B 541 -10.922 0.353 -4.745 1.00 25.00 C ATOM 1768 CG ASP B 541 -10.523 0.472 -6.207 1.00 25.00 C ATOM 1769 OD1 ASP B 541 -11.422 0.653 -7.055 1.00 25.00 O ATOM 1770 OD2 ASP B 541 -9.315 0.376 -6.500 1.00 25.00 O ATOM 0 H ASP B 541 -11.894 2.617 -4.234 1.00 25.00 H new ATOM 0 HA ASP B 541 -13.005 0.119 -5.273 1.00 25.00 H new ATOM 0 HB2 ASP B 541 -10.339 1.063 -4.158 1.00 25.00 H new ATOM 0 HB3 ASP B 541 -10.666 -0.644 -4.386 1.00 25.00 H new ATOM 1775 N PHE B 542 -12.976 0.856 -2.111 1.00 25.00 N ATOM 1776 CA PHE B 542 -13.360 0.400 -0.765 1.00 25.00 C ATOM 1777 C PHE B 542 -14.862 0.068 -0.692 1.00 25.00 C ATOM 1778 O PHE B 542 -15.274 -0.788 0.096 1.00 25.00 O ATOM 1779 CB PHE B 542 -13.001 1.480 0.270 1.00 25.00 C ATOM 1780 CG PHE B 542 -13.220 1.082 1.712 1.00 25.00 C ATOM 1781 CD1 PHE B 542 -12.177 0.587 2.481 1.00 25.00 C ATOM 1782 CD2 PHE B 542 -14.477 1.195 2.288 1.00 25.00 C ATOM 1783 CE1 PHE B 542 -12.383 0.213 3.796 1.00 25.00 C ATOM 1784 CE2 PHE B 542 -14.688 0.823 3.604 1.00 25.00 C ATOM 1785 CZ PHE B 542 -13.638 0.333 4.357 1.00 25.00 C ATOM 0 H PHE B 542 -12.824 1.862 -2.184 1.00 25.00 H new ATOM 0 HA PHE B 542 -12.808 -0.513 -0.542 1.00 25.00 H new ATOM 0 HB2 PHE B 542 -11.954 1.753 0.139 1.00 25.00 H new ATOM 0 HB3 PHE B 542 -13.592 2.372 0.061 1.00 25.00 H new ATOM 0 HD1 PHE B 542 -11.192 0.493 2.047 1.00 25.00 H new ATOM 0 HD2 PHE B 542 -15.300 1.578 1.703 1.00 25.00 H new ATOM 0 HE1 PHE B 542 -11.563 -0.173 4.383 1.00 25.00 H new ATOM 0 HE2 PHE B 542 -15.671 0.915 4.042 1.00 25.00 H new ATOM 0 HZ PHE B 542 -13.800 0.044 5.385 1.00 25.00 H new ATOM 1795 N SER B 543 -15.663 0.750 -1.524 1.00 25.00 N ATOM 1796 CA SER B 543 -17.118 0.547 -1.571 1.00 25.00 C ATOM 1797 C SER B 543 -17.498 -0.672 -2.425 1.00 25.00 C ATOM 1798 O SER B 543 -18.577 -1.247 -2.250 1.00 25.00 O ATOM 1799 CB SER B 543 -17.803 1.806 -2.113 1.00 25.00 C ATOM 1800 OG SER B 543 -17.330 2.140 -3.408 1.00 25.00 O ATOM 0 H SER B 543 -15.323 1.454 -2.179 1.00 25.00 H new ATOM 0 HA SER B 543 -17.460 0.354 -0.554 1.00 25.00 H new ATOM 0 HB2 SER B 543 -18.881 1.648 -2.148 1.00 25.00 H new ATOM 0 HB3 SER B 543 -17.625 2.639 -1.433 1.00 25.00 H new ATOM 0 HG SER B 543 -17.788 2.946 -3.726 1.00 25.00 H new ATOM 1806 N ALA B 544 -16.600 -1.059 -3.343 1.00 25.00 N ATOM 1807 CA ALA B 544 -16.827 -2.196 -4.243 1.00 25.00 C ATOM 1808 C ALA B 544 -16.451 -3.532 -3.588 1.00 25.00 C ATOM 1809 O ALA B 544 -16.944 -4.588 -3.996 1.00 25.00 O ATOM 1810 CB ALA B 544 -16.048 -1.999 -5.535 1.00 25.00 C ATOM 0 H ALA B 544 -15.702 -0.595 -3.481 1.00 25.00 H new ATOM 0 HA ALA B 544 -17.893 -2.235 -4.466 1.00 25.00 H new ATOM 0 HB1 ALA B 544 -16.222 -2.847 -6.197 1.00 25.00 H new ATOM 0 HB2 ALA B 544 -16.380 -1.083 -6.024 1.00 25.00 H new ATOM 0 HB3 ALA B 544 -14.984 -1.926 -5.311 1.00 25.00 H new ATOM 1816 N LEU B 545 -15.581 -3.470 -2.569 1.00 25.00 N ATOM 1817 CA LEU B 545 -15.116 -4.655 -1.845 1.00 25.00 C ATOM 1818 C LEU B 545 -16.095 -5.088 -0.740 1.00 25.00 C ATOM 1819 O LEU B 545 -16.005 -6.213 -0.237 1.00 25.00 O ATOM 1820 CB LEU B 545 -13.737 -4.371 -1.240 1.00 25.00 C ATOM 1821 CG LEU B 545 -12.580 -4.214 -2.242 1.00 25.00 C ATOM 1822 CD1 LEU B 545 -11.327 -3.698 -1.552 1.00 25.00 C ATOM 1823 CD2 LEU B 545 -12.269 -5.542 -2.928 1.00 25.00 C ATOM 0 H LEU B 545 -15.182 -2.596 -2.226 1.00 25.00 H new ATOM 0 HA LEU B 545 -15.054 -5.477 -2.558 1.00 25.00 H new ATOM 0 HB2 LEU B 545 -13.803 -3.459 -0.646 1.00 25.00 H new ATOM 0 HB3 LEU B 545 -13.490 -5.181 -0.554 1.00 25.00 H new ATOM 0 HG LEU B 545 -12.896 -3.490 -2.993 1.00 25.00 H new ATOM 0 HD11 LEU B 545 -10.525 -3.596 -2.283 1.00 25.00 H new ATOM 0 HD12 LEU B 545 -11.533 -2.727 -1.102 1.00 25.00 H new ATOM 0 HD13 LEU B 545 -11.024 -4.401 -0.776 1.00 25.00 H new ATOM 0 HD21 LEU B 545 -11.448 -5.405 -3.631 1.00 25.00 H new ATOM 0 HD22 LEU B 545 -11.985 -6.281 -2.179 1.00 25.00 H new ATOM 0 HD23 LEU B 545 -13.152 -5.890 -3.464 1.00 25.00 H new ATOM 1835 N LEU B 546 -17.030 -4.194 -0.372 1.00 25.00 N ATOM 1836 CA LEU B 546 -18.045 -4.492 0.658 1.00 25.00 C ATOM 1837 C LEU B 546 -19.194 -5.312 0.072 1.00 25.00 C ATOM 1838 O LEU B 546 -19.793 -6.144 0.759 1.00 25.00 O ATOM 1839 CB LEU B 546 -18.606 -3.193 1.272 1.00 25.00 C ATOM 1840 CG LEU B 546 -17.633 -2.355 2.110 1.00 25.00 C ATOM 1841 CD1 LEU B 546 -18.226 -0.982 2.391 1.00 25.00 C ATOM 1842 CD2 LEU B 546 -17.299 -3.052 3.422 1.00 25.00 C ATOM 0 H LEU B 546 -17.105 -3.259 -0.772 1.00 25.00 H new ATOM 0 HA LEU B 546 -17.555 -5.073 1.440 1.00 25.00 H new ATOM 0 HB2 LEU B 546 -18.984 -2.569 0.462 1.00 25.00 H new ATOM 0 HB3 LEU B 546 -19.459 -3.453 1.899 1.00 25.00 H new ATOM 0 HG LEU B 546 -16.712 -2.238 1.538 1.00 25.00 H new ATOM 0 HD11 LEU B 546 -17.525 -0.398 2.987 1.00 25.00 H new ATOM 0 HD12 LEU B 546 -18.417 -0.469 1.449 1.00 25.00 H new ATOM 0 HD13 LEU B 546 -19.161 -1.095 2.939 1.00 25.00 H new ATOM 0 HD21 LEU B 546 -16.607 -2.435 3.996 1.00 25.00 H new ATOM 0 HD22 LEU B 546 -18.213 -3.203 3.997 1.00 25.00 H new ATOM 0 HD23 LEU B 546 -16.837 -4.017 3.214 1.00 25.00 H new ATOM 1854 N SER B 547 -19.485 -5.059 -1.209 1.00 25.00 N ATOM 1855 CA SER B 547 -20.525 -5.785 -1.952 1.00 25.00 C ATOM 1856 C SER B 547 -20.065 -7.197 -2.356 1.00 25.00 C ATOM 1857 O SER B 547 -20.889 -8.048 -2.704 1.00 25.00 O ATOM 1858 CB SER B 547 -20.937 -4.987 -3.198 1.00 25.00 C ATOM 1859 OG SER B 547 -19.877 -4.903 -4.136 1.00 25.00 O ATOM 0 H SER B 547 -19.008 -4.346 -1.761 1.00 25.00 H new ATOM 0 HA SER B 547 -21.384 -5.897 -1.291 1.00 25.00 H new ATOM 0 HB2 SER B 547 -21.801 -5.460 -3.665 1.00 25.00 H new ATOM 0 HB3 SER B 547 -21.244 -3.983 -2.903 1.00 25.00 H new ATOM 0 HG SER B 547 -19.021 -4.877 -3.660 1.00 25.00 H new ATOM 1865 N GLN B 548 -18.744 -7.431 -2.297 1.00 25.00 N ATOM 1866 CA GLN B 548 -18.148 -8.722 -2.677 1.00 25.00 C ATOM 1867 C GLN B 548 -18.241 -9.750 -1.549 1.00 25.00 C ATOM 1868 O GLN B 548 -18.242 -10.961 -1.795 1.00 25.00 O ATOM 1869 CB GLN B 548 -16.683 -8.535 -3.083 1.00 25.00 C ATOM 1870 CG GLN B 548 -16.478 -7.632 -4.298 1.00 25.00 C ATOM 1871 CD GLN B 548 -17.365 -7.960 -5.505 1.00 25.00 C ATOM 1872 OE1 GLN B 548 -17.387 -9.099 -5.971 1.00 25.00 O ATOM 1873 NE2 GLN B 548 -18.112 -6.976 -6.007 1.00 25.00 N ATOM 0 H GLN B 548 -18.064 -6.737 -1.987 1.00 25.00 H new ATOM 0 HA GLN B 548 -18.718 -9.101 -3.525 1.00 25.00 H new ATOM 0 HB2 GLN B 548 -16.134 -8.118 -2.238 1.00 25.00 H new ATOM 0 HB3 GLN B 548 -16.249 -9.512 -3.294 1.00 25.00 H new ATOM 0 HG2 GLN B 548 -16.662 -6.600 -4.000 1.00 25.00 H new ATOM 0 HG3 GLN B 548 -15.434 -7.693 -4.606 1.00 25.00 H new ATOM 0 HE21 GLN B 548 -18.070 -6.043 -5.596 1.00 25.00 H new ATOM 0 HE22 GLN B 548 -18.726 -7.156 -6.801 1.00 25.00 H new ATOM 1882 N ILE B 549 -18.322 -9.245 -0.325 1.00 25.00 N ATOM 1883 CA ILE B 549 -18.406 -10.088 0.879 1.00 25.00 C ATOM 1884 C ILE B 549 -19.835 -10.153 1.445 1.00 25.00 C ATOM 1885 O ILE B 549 -20.167 -11.078 2.193 1.00 25.00 O ATOM 1886 CB ILE B 549 -17.399 -9.642 1.994 1.00 25.00 C ATOM 1887 CG1 ILE B 549 -17.664 -8.211 2.522 1.00 25.00 C ATOM 1888 CG2 ILE B 549 -15.968 -9.750 1.485 1.00 25.00 C ATOM 1889 CD1 ILE B 549 -16.778 -7.794 3.682 1.00 25.00 C ATOM 0 H ILE B 549 -18.332 -8.244 -0.130 1.00 25.00 H new ATOM 0 HA ILE B 549 -18.124 -11.091 0.557 1.00 25.00 H new ATOM 0 HB ILE B 549 -17.549 -10.320 2.834 1.00 25.00 H new ATOM 0 HG12 ILE B 549 -17.526 -7.504 1.704 1.00 25.00 H new ATOM 0 HG13 ILE B 549 -18.706 -8.139 2.833 1.00 25.00 H new ATOM 0 HG21 ILE B 549 -15.278 -9.437 2.269 1.00 25.00 H new ATOM 0 HG22 ILE B 549 -15.758 -10.783 1.207 1.00 25.00 H new ATOM 0 HG23 ILE B 549 -15.842 -9.107 0.614 1.00 25.00 H new ATOM 0 HD11 ILE B 549 -17.032 -6.779 3.987 1.00 25.00 H new ATOM 0 HD12 ILE B 549 -16.931 -8.474 4.520 1.00 25.00 H new ATOM 0 HD13 ILE B 549 -15.733 -7.829 3.373 1.00 25.00 H new ATOM 1901 N SER B 550 -20.670 -9.169 1.077 1.00 25.00 N ATOM 1902 CA SER B 550 -22.059 -9.101 1.546 1.00 25.00 C ATOM 1903 C SER B 550 -23.020 -9.760 0.548 1.00 25.00 C ATOM 1904 O SER B 550 -24.020 -10.360 0.952 1.00 25.00 O ATOM 1905 CB SER B 550 -22.463 -7.640 1.789 1.00 25.00 C ATOM 1906 OG SER B 550 -22.516 -6.906 0.574 1.00 25.00 O ATOM 0 H SER B 550 -20.404 -8.407 0.453 1.00 25.00 H new ATOM 0 HA SER B 550 -22.125 -9.651 2.485 1.00 25.00 H new ATOM 0 HB2 SER B 550 -23.437 -7.607 2.278 1.00 25.00 H new ATOM 0 HB3 SER B 550 -21.750 -7.172 2.467 1.00 25.00 H new ATOM 0 HG SER B 550 -22.777 -5.980 0.762 1.00 25.00 H new ATOM 1912 N SER B 551 -22.706 -9.639 -0.749 1.00 25.00 N ATOM 1913 CA SER B 551 -23.527 -10.227 -1.809 1.00 25.00 C ATOM 1914 C SER B 551 -22.800 -11.410 -2.462 1.00 25.00 C ATOM 1915 O SER B 551 -23.150 -12.564 -2.138 1.00 25.00 O ATOM 1916 CB SER B 551 -23.892 -9.161 -2.855 1.00 25.00 C ATOM 1917 OG SER B 551 -24.671 -8.120 -2.286 1.00 25.00 O ATOM 1918 OXT SER B 551 -21.878 -11.175 -3.275 1.00 25.00 O ATOM 0 H SER B 551 -21.885 -9.137 -1.087 1.00 25.00 H new ATOM 0 HA SER B 551 -24.450 -10.602 -1.367 1.00 25.00 H new ATOM 0 HB2 SER B 551 -22.981 -8.743 -3.283 1.00 25.00 H new ATOM 0 HB3 SER B 551 -24.444 -9.625 -3.672 1.00 25.00 H new ATOM 0 HG SER B 551 -24.885 -7.457 -2.976 1.00 25.00 H new