USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 525 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 NoAdj-H: A 685 HIS HD1 : A 685 HIS ND1 : A 801 ZNZN :(H bumps) USER MOD Single : A 653 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 654 THR OG1 : rot -96:sc= 0.325 USER MOD Single : A 655 SER OG : rot 180:sc= 0 USER MOD Single : A 657 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 GLN : amide:sc= -0.0181 K(o=-0.018,f=-5.2!) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 676 GLN : amide:sc= -1.9 K(o=-1.9,f=-8.3!) USER MOD Single : A 679 LYS NZ :NH3+ -121:sc= 0.137 (180deg=-0.326) USER MOD Single : A 681 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 684 GLN : amide:sc= -3.61! C(o=-3.6!,f=-6!) USER MOD Single : A 687 LYS NZ :NH3+ 168:sc= -0.0231 (180deg=-0.179) USER MOD Single : A 690 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 691 TYR OH : rot -135:sc= 0.657 USER MOD Single : A 694 LYS NZ :NH3+ 159:sc= 0.589 (180deg=0.372) USER MOD Single : A 695 ASN : amide:sc= -2.03 K(o=-2,f=-0.0078) USER MOD Single : A 697 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.1) USER MOD Single : A 699 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 702 TYR OH : rot 180:sc= 0 USER MOD Single : A 705 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=-0.0064) USER MOD Single : A 710 MET CE :methyl -174:sc= -1.2 (180deg=-1.23) USER MOD Single : A 714 SER OG : rot 180:sc= 0 USER MOD Single : A 715 THR OG1 : rot 180:sc= -0.0153 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 652 -5.327 -8.391 6.813 1.00 0.00 N ATOM 2 CA PHE A 652 -5.871 -8.128 5.461 1.00 0.00 C ATOM 3 C PHE A 652 -4.837 -7.336 4.639 1.00 0.00 C ATOM 4 O PHE A 652 -5.071 -6.193 4.235 1.00 0.00 O ATOM 5 CB PHE A 652 -7.228 -7.381 5.562 1.00 0.00 C ATOM 6 CG PHE A 652 -8.332 -8.179 6.259 1.00 0.00 C ATOM 7 CD1 PHE A 652 -8.955 -9.244 5.608 1.00 0.00 C ATOM 8 CD2 PHE A 652 -8.738 -7.871 7.556 1.00 0.00 C ATOM 9 CE1 PHE A 652 -9.952 -9.973 6.232 1.00 0.00 C ATOM 10 CE2 PHE A 652 -9.736 -8.600 8.179 1.00 0.00 C ATOM 11 CZ PHE A 652 -10.341 -9.654 7.519 1.00 0.00 C ATOM 0 HA PHE A 652 -6.061 -9.071 4.949 1.00 0.00 H new ATOM 0 HB2 PHE A 652 -7.076 -6.446 6.100 1.00 0.00 H new ATOM 0 HB3 PHE A 652 -7.562 -7.120 4.558 1.00 0.00 H new ATOM 0 HD1 PHE A 652 -8.655 -9.503 4.603 1.00 0.00 H new ATOM 0 HD2 PHE A 652 -8.268 -7.053 8.082 1.00 0.00 H new ATOM 0 HE1 PHE A 652 -10.427 -10.792 5.713 1.00 0.00 H new ATOM 0 HE2 PHE A 652 -10.043 -8.345 9.183 1.00 0.00 H new ATOM 0 HZ PHE A 652 -11.115 -10.226 8.008 1.00 0.00 H new ATOM 21 N ASN A 653 -3.658 -7.956 4.439 1.00 0.00 N ATOM 22 CA ASN A 653 -2.536 -7.362 3.689 1.00 0.00 C ATOM 23 C ASN A 653 -2.342 -8.124 2.371 1.00 0.00 C ATOM 24 O ASN A 653 -1.716 -9.191 2.345 1.00 0.00 O ATOM 25 CB ASN A 653 -1.240 -7.386 4.545 1.00 0.00 C ATOM 26 CG ASN A 653 -1.370 -6.552 5.814 1.00 0.00 C ATOM 27 OD1 ASN A 653 -1.752 -7.057 6.872 1.00 0.00 O ATOM 28 ND2 ASN A 653 -1.097 -5.260 5.705 1.00 0.00 N ATOM 0 H ASN A 653 -3.457 -8.890 4.796 1.00 0.00 H new ATOM 0 HA ASN A 653 -2.763 -6.321 3.460 1.00 0.00 H new ATOM 0 HB2 ASN A 653 -1.003 -8.416 4.812 1.00 0.00 H new ATOM 0 HB3 ASN A 653 -0.407 -7.011 3.950 1.00 0.00 H new ATOM 0 HD21 ASN A 653 -1.201 -4.647 6.514 1.00 0.00 H new ATOM 0 HD22 ASN A 653 -0.783 -4.879 4.813 1.00 0.00 H new ATOM 35 N THR A 654 -2.922 -7.577 1.293 1.00 0.00 N ATOM 36 CA THR A 654 -2.900 -8.190 -0.040 1.00 0.00 C ATOM 37 C THR A 654 -3.137 -7.116 -1.122 1.00 0.00 C ATOM 38 O THR A 654 -3.753 -6.080 -0.855 1.00 0.00 O ATOM 39 CB THR A 654 -3.962 -9.337 -0.156 1.00 0.00 C ATOM 40 OG1 THR A 654 -3.915 -9.941 -1.457 1.00 0.00 O ATOM 41 CG2 THR A 654 -5.391 -8.850 0.143 1.00 0.00 C ATOM 0 H THR A 654 -3.423 -6.689 1.324 1.00 0.00 H new ATOM 0 HA THR A 654 -1.917 -8.634 -0.195 1.00 0.00 H new ATOM 0 HB THR A 654 -3.704 -10.079 0.599 1.00 0.00 H new ATOM 0 HG1 THR A 654 -4.601 -9.538 -2.030 1.00 0.00 H new ATOM 0 HG21 THR A 654 -6.087 -9.684 0.049 1.00 0.00 H new ATOM 0 HG22 THR A 654 -5.435 -8.453 1.157 1.00 0.00 H new ATOM 0 HG23 THR A 654 -5.664 -8.067 -0.565 1.00 0.00 H new ATOM 49 N SER A 655 -2.609 -7.372 -2.334 1.00 0.00 N ATOM 50 CA SER A 655 -2.760 -6.486 -3.505 1.00 0.00 C ATOM 51 C SER A 655 -3.291 -7.314 -4.687 1.00 0.00 C ATOM 52 O SER A 655 -2.690 -8.332 -5.051 1.00 0.00 O ATOM 53 CB SER A 655 -1.403 -5.843 -3.856 1.00 0.00 C ATOM 54 OG SER A 655 -0.865 -5.134 -2.748 1.00 0.00 O ATOM 0 H SER A 655 -2.060 -8.209 -2.530 1.00 0.00 H new ATOM 0 HA SER A 655 -3.466 -5.686 -3.280 1.00 0.00 H new ATOM 0 HB2 SER A 655 -0.702 -6.616 -4.170 1.00 0.00 H new ATOM 0 HB3 SER A 655 -1.527 -5.164 -4.699 1.00 0.00 H new ATOM 0 HG SER A 655 -0.004 -4.739 -2.999 1.00 0.00 H new ATOM 60 N ASP A 656 -4.422 -6.884 -5.284 1.00 0.00 N ATOM 61 CA ASP A 656 -5.153 -7.696 -6.276 1.00 0.00 C ATOM 62 C ASP A 656 -5.496 -6.890 -7.538 1.00 0.00 C ATOM 63 O ASP A 656 -6.277 -5.929 -7.490 1.00 0.00 O ATOM 64 CB ASP A 656 -6.457 -8.257 -5.654 1.00 0.00 C ATOM 65 CG ASP A 656 -6.216 -9.246 -4.503 1.00 0.00 C ATOM 66 OD1 ASP A 656 -6.046 -8.798 -3.342 1.00 0.00 O ATOM 67 OD2 ASP A 656 -6.181 -10.473 -4.749 1.00 0.00 O ATOM 0 H ASP A 656 -4.849 -5.977 -5.095 1.00 0.00 H new ATOM 0 HA ASP A 656 -4.497 -8.517 -6.566 1.00 0.00 H new ATOM 0 HB2 ASP A 656 -7.061 -7.427 -5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 656 -7.036 -8.753 -6.433 1.00 0.00 H new ATOM 72 N TYR A 657 -4.890 -7.296 -8.659 1.00 0.00 N ATOM 73 CA TYR A 657 -5.311 -6.910 -10.010 1.00 0.00 C ATOM 74 C TYR A 657 -6.339 -7.958 -10.482 1.00 0.00 C ATOM 75 O TYR A 657 -5.970 -8.958 -11.115 1.00 0.00 O ATOM 76 CB TYR A 657 -4.093 -6.862 -10.984 1.00 0.00 C ATOM 77 CG TYR A 657 -2.953 -5.916 -10.561 1.00 0.00 C ATOM 78 CD1 TYR A 657 -1.901 -6.367 -9.751 1.00 0.00 C ATOM 79 CD2 TYR A 657 -2.929 -4.581 -10.970 1.00 0.00 C ATOM 80 CE1 TYR A 657 -0.872 -5.523 -9.379 1.00 0.00 C ATOM 81 CE2 TYR A 657 -1.900 -3.739 -10.599 1.00 0.00 C ATOM 82 CZ TYR A 657 -0.880 -4.215 -9.802 1.00 0.00 C ATOM 83 OH TYR A 657 0.144 -3.371 -9.432 1.00 0.00 O ATOM 0 H TYR A 657 -4.078 -7.914 -8.652 1.00 0.00 H new ATOM 0 HA TYR A 657 -5.750 -5.912 -10.000 1.00 0.00 H new ATOM 0 HB2 TYR A 657 -3.689 -7.869 -11.085 1.00 0.00 H new ATOM 0 HB3 TYR A 657 -4.448 -6.560 -11.969 1.00 0.00 H new ATOM 0 HD1 TYR A 657 -1.895 -7.392 -9.412 1.00 0.00 H new ATOM 0 HD2 TYR A 657 -3.729 -4.201 -11.587 1.00 0.00 H new ATOM 0 HE1 TYR A 657 -0.066 -5.889 -8.760 1.00 0.00 H new ATOM 0 HE2 TYR A 657 -1.894 -2.711 -10.932 1.00 0.00 H new ATOM 0 HH TYR A 657 -0.011 -2.482 -9.814 1.00 0.00 H new ATOM 93 N ARG A 658 -7.607 -7.774 -10.071 1.00 0.00 N ATOM 94 CA ARG A 658 -8.719 -8.674 -10.430 1.00 0.00 C ATOM 95 C ARG A 658 -9.071 -8.577 -11.932 1.00 0.00 C ATOM 96 O ARG A 658 -9.961 -7.830 -12.346 1.00 0.00 O ATOM 97 CB ARG A 658 -9.918 -8.344 -9.509 1.00 0.00 C ATOM 98 CG ARG A 658 -9.606 -8.565 -8.008 1.00 0.00 C ATOM 99 CD ARG A 658 -10.484 -7.719 -7.074 1.00 0.00 C ATOM 100 NE ARG A 658 -10.264 -6.276 -7.282 1.00 0.00 N ATOM 101 CZ ARG A 658 -9.511 -5.477 -6.509 1.00 0.00 C ATOM 102 NH1 ARG A 658 -8.883 -5.948 -5.439 1.00 0.00 N ATOM 103 NH2 ARG A 658 -9.396 -4.198 -6.814 1.00 0.00 N ATOM 0 H ARG A 658 -7.890 -6.994 -9.478 1.00 0.00 H new ATOM 0 HA ARG A 658 -8.428 -9.713 -10.274 1.00 0.00 H new ATOM 0 HB2 ARG A 658 -10.214 -7.306 -9.664 1.00 0.00 H new ATOM 0 HB3 ARG A 658 -10.769 -8.964 -9.793 1.00 0.00 H new ATOM 0 HG2 ARG A 658 -9.742 -9.619 -7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 658 -8.558 -8.329 -7.823 1.00 0.00 H new ATOM 0 HD2 ARG A 658 -11.534 -7.956 -7.247 1.00 0.00 H new ATOM 0 HD3 ARG A 658 -10.266 -7.975 -6.037 1.00 0.00 H new ATOM 0 HE ARG A 658 -10.725 -5.847 -8.084 1.00 0.00 H new ATOM 0 HH11 ARG A 658 -8.968 -6.934 -5.191 1.00 0.00 H new ATOM 0 HH12 ARG A 658 -8.316 -5.324 -4.865 1.00 0.00 H new ATOM 0 HH21 ARG A 658 -9.877 -3.823 -7.632 1.00 0.00 H new ATOM 0 HH22 ARG A 658 -8.826 -3.584 -6.232 1.00 0.00 H new ATOM 117 N PHE A 659 -8.286 -9.312 -12.728 1.00 0.00 N ATOM 118 CA PHE A 659 -8.462 -9.465 -14.181 1.00 0.00 C ATOM 119 C PHE A 659 -9.781 -10.200 -14.502 1.00 0.00 C ATOM 120 O PHE A 659 -9.865 -11.428 -14.405 1.00 0.00 O ATOM 121 CB PHE A 659 -7.215 -10.183 -14.820 1.00 0.00 C ATOM 122 CG PHE A 659 -6.375 -11.085 -13.885 1.00 0.00 C ATOM 123 CD1 PHE A 659 -6.949 -12.155 -13.200 1.00 0.00 C ATOM 124 CD2 PHE A 659 -5.016 -10.829 -13.667 1.00 0.00 C ATOM 125 CE1 PHE A 659 -6.195 -12.945 -12.350 1.00 0.00 C ATOM 126 CE2 PHE A 659 -4.268 -11.619 -12.811 1.00 0.00 C ATOM 127 CZ PHE A 659 -4.859 -12.671 -12.149 1.00 0.00 C ATOM 0 H PHE A 659 -7.486 -9.834 -12.370 1.00 0.00 H new ATOM 0 HA PHE A 659 -8.530 -8.473 -14.628 1.00 0.00 H new ATOM 0 HB2 PHE A 659 -7.564 -10.791 -15.655 1.00 0.00 H new ATOM 0 HB3 PHE A 659 -6.558 -9.418 -15.235 1.00 0.00 H new ATOM 0 HD1 PHE A 659 -7.999 -12.371 -13.335 1.00 0.00 H new ATOM 0 HD2 PHE A 659 -4.543 -10.001 -14.175 1.00 0.00 H new ATOM 0 HE1 PHE A 659 -6.655 -13.780 -11.842 1.00 0.00 H new ATOM 0 HE2 PHE A 659 -3.219 -11.409 -12.662 1.00 0.00 H new ATOM 0 HZ PHE A 659 -4.277 -13.281 -11.473 1.00 0.00 H new ATOM 137 N GLU A 660 -10.813 -9.417 -14.850 1.00 0.00 N ATOM 138 CA GLU A 660 -12.163 -9.928 -15.145 1.00 0.00 C ATOM 139 C GLU A 660 -12.760 -9.169 -16.342 1.00 0.00 C ATOM 140 O GLU A 660 -12.440 -7.992 -16.562 1.00 0.00 O ATOM 141 CB GLU A 660 -13.067 -9.772 -13.890 1.00 0.00 C ATOM 142 CG GLU A 660 -14.492 -10.357 -14.030 1.00 0.00 C ATOM 143 CD GLU A 660 -15.355 -10.186 -12.763 1.00 0.00 C ATOM 144 OE1 GLU A 660 -15.274 -11.043 -11.851 1.00 0.00 O ATOM 145 OE2 GLU A 660 -16.101 -9.189 -12.665 1.00 0.00 O ATOM 0 H GLU A 660 -10.735 -8.404 -14.936 1.00 0.00 H new ATOM 0 HA GLU A 660 -12.103 -10.985 -15.403 1.00 0.00 H new ATOM 0 HB2 GLU A 660 -12.575 -10.254 -13.045 1.00 0.00 H new ATOM 0 HB3 GLU A 660 -13.148 -8.712 -13.650 1.00 0.00 H new ATOM 0 HG2 GLU A 660 -14.993 -9.875 -14.869 1.00 0.00 H new ATOM 0 HG3 GLU A 660 -14.419 -11.418 -14.270 1.00 0.00 H new ATOM 152 N CYS A 661 -13.638 -9.850 -17.093 1.00 0.00 N ATOM 153 CA CYS A 661 -14.268 -9.311 -18.306 1.00 0.00 C ATOM 154 C CYS A 661 -15.234 -8.146 -17.993 1.00 0.00 C ATOM 155 O CYS A 661 -15.799 -8.084 -16.902 1.00 0.00 O ATOM 156 CB CYS A 661 -15.010 -10.442 -19.033 1.00 0.00 C ATOM 157 SG CYS A 661 -15.737 -9.970 -20.627 1.00 0.00 S ATOM 0 H CYS A 661 -13.933 -10.801 -16.872 1.00 0.00 H new ATOM 0 HA CYS A 661 -13.484 -8.908 -18.946 1.00 0.00 H new ATOM 0 HB2 CYS A 661 -14.317 -11.267 -19.195 1.00 0.00 H new ATOM 0 HB3 CYS A 661 -15.802 -10.814 -18.384 1.00 0.00 H new ATOM 162 N ILE A 662 -15.415 -7.242 -18.982 1.00 0.00 N ATOM 163 CA ILE A 662 -16.244 -6.015 -18.849 1.00 0.00 C ATOM 164 C ILE A 662 -17.740 -6.302 -18.512 1.00 0.00 C ATOM 165 O ILE A 662 -18.425 -5.428 -17.971 1.00 0.00 O ATOM 166 CB ILE A 662 -16.135 -5.100 -20.137 1.00 0.00 C ATOM 167 CG1 ILE A 662 -16.466 -5.912 -21.431 1.00 0.00 C ATOM 168 CG2 ILE A 662 -14.732 -4.436 -20.239 1.00 0.00 C ATOM 169 CD1 ILE A 662 -16.633 -5.076 -22.687 1.00 0.00 C ATOM 0 H ILE A 662 -14.988 -7.341 -19.903 1.00 0.00 H new ATOM 0 HA ILE A 662 -15.831 -5.478 -17.995 1.00 0.00 H new ATOM 0 HB ILE A 662 -16.873 -4.304 -20.042 1.00 0.00 H new ATOM 0 HG12 ILE A 662 -15.671 -6.639 -21.599 1.00 0.00 H new ATOM 0 HG13 ILE A 662 -17.383 -6.476 -21.263 1.00 0.00 H new ATOM 0 HG21 ILE A 662 -14.688 -3.814 -21.133 1.00 0.00 H new ATOM 0 HG22 ILE A 662 -14.557 -3.818 -19.358 1.00 0.00 H new ATOM 0 HG23 ILE A 662 -13.967 -5.210 -20.297 1.00 0.00 H new ATOM 0 HD11 ILE A 662 -16.860 -5.728 -23.530 1.00 0.00 H new ATOM 0 HD12 ILE A 662 -17.449 -4.367 -22.546 1.00 0.00 H new ATOM 0 HD13 ILE A 662 -15.710 -4.532 -22.887 1.00 0.00 H new ATOM 181 N CYS A 663 -18.242 -7.519 -18.843 1.00 0.00 N ATOM 182 CA CYS A 663 -19.604 -7.958 -18.423 1.00 0.00 C ATOM 183 C CYS A 663 -19.587 -8.477 -16.972 1.00 0.00 C ATOM 184 O CYS A 663 -20.527 -8.246 -16.207 1.00 0.00 O ATOM 185 CB CYS A 663 -20.166 -9.060 -19.352 1.00 0.00 C ATOM 186 SG CYS A 663 -19.236 -10.627 -19.334 1.00 0.00 S ATOM 0 H CYS A 663 -17.732 -8.210 -19.394 1.00 0.00 H new ATOM 0 HA CYS A 663 -20.253 -7.085 -18.492 1.00 0.00 H new ATOM 0 HB2 CYS A 663 -21.198 -9.264 -19.067 1.00 0.00 H new ATOM 0 HB3 CYS A 663 -20.187 -8.678 -20.373 1.00 0.00 H new ATOM 191 N GLY A 664 -18.480 -9.153 -16.609 1.00 0.00 N ATOM 192 CA GLY A 664 -18.332 -9.785 -15.293 1.00 0.00 C ATOM 193 C GLY A 664 -19.234 -11.005 -15.110 1.00 0.00 C ATOM 194 O GLY A 664 -19.989 -11.092 -14.140 1.00 0.00 O ATOM 0 H GLY A 664 -17.671 -9.273 -17.218 1.00 0.00 H new ATOM 0 HA2 GLY A 664 -17.293 -10.085 -15.155 1.00 0.00 H new ATOM 0 HA3 GLY A 664 -18.558 -9.053 -14.517 1.00 0.00 H new ATOM 198 N GLU A 665 -19.139 -11.957 -16.060 1.00 0.00 N ATOM 199 CA GLU A 665 -19.980 -13.175 -16.084 1.00 0.00 C ATOM 200 C GLU A 665 -19.111 -14.457 -15.956 1.00 0.00 C ATOM 201 O GLU A 665 -19.057 -15.058 -14.880 1.00 0.00 O ATOM 202 CB GLU A 665 -20.831 -13.212 -17.384 1.00 0.00 C ATOM 203 CG GLU A 665 -21.844 -12.057 -17.541 1.00 0.00 C ATOM 204 CD GLU A 665 -22.931 -12.025 -16.447 1.00 0.00 C ATOM 205 OE1 GLU A 665 -23.879 -12.838 -16.516 1.00 0.00 O ATOM 206 OE2 GLU A 665 -22.835 -11.203 -15.506 1.00 0.00 O ATOM 0 H GLU A 665 -18.477 -11.905 -16.834 1.00 0.00 H new ATOM 0 HA GLU A 665 -20.653 -13.145 -15.227 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -20.157 -13.202 -18.241 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -21.374 -14.157 -17.417 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -21.304 -11.110 -17.531 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -22.326 -12.139 -18.515 1.00 0.00 H new ATOM 213 N LEU A 666 -18.423 -14.855 -17.051 1.00 0.00 N ATOM 214 CA LEU A 666 -17.568 -16.076 -17.102 1.00 0.00 C ATOM 215 C LEU A 666 -16.214 -15.750 -17.781 1.00 0.00 C ATOM 216 O LEU A 666 -15.926 -14.581 -18.076 1.00 0.00 O ATOM 217 CB LEU A 666 -18.300 -17.229 -17.872 1.00 0.00 C ATOM 218 CG LEU A 666 -19.560 -17.849 -17.181 1.00 0.00 C ATOM 219 CD1 LEU A 666 -20.240 -18.902 -18.092 1.00 0.00 C ATOM 220 CD2 LEU A 666 -19.200 -18.457 -15.801 1.00 0.00 C ATOM 0 H LEU A 666 -18.442 -14.340 -17.931 1.00 0.00 H new ATOM 0 HA LEU A 666 -17.379 -16.411 -16.082 1.00 0.00 H new ATOM 0 HB2 LEU A 666 -18.600 -16.848 -18.848 1.00 0.00 H new ATOM 0 HB3 LEU A 666 -17.581 -18.029 -18.049 1.00 0.00 H new ATOM 0 HG LEU A 666 -20.274 -17.043 -17.015 1.00 0.00 H new ATOM 0 HD11 LEU A 666 -21.112 -19.314 -17.584 1.00 0.00 H new ATOM 0 HD12 LEU A 666 -20.552 -18.430 -19.023 1.00 0.00 H new ATOM 0 HD13 LEU A 666 -19.535 -19.704 -18.311 1.00 0.00 H new ATOM 0 HD21 LEU A 666 -20.095 -18.880 -15.345 1.00 0.00 H new ATOM 0 HD22 LEU A 666 -18.454 -19.241 -15.932 1.00 0.00 H new ATOM 0 HD23 LEU A 666 -18.797 -17.678 -15.154 1.00 0.00 H new ATOM 232 N ASP A 667 -15.382 -16.788 -18.018 1.00 0.00 N ATOM 233 CA ASP A 667 -14.086 -16.645 -18.725 1.00 0.00 C ATOM 234 C ASP A 667 -13.866 -17.784 -19.750 1.00 0.00 C ATOM 235 O ASP A 667 -12.828 -17.823 -20.395 1.00 0.00 O ATOM 236 CB ASP A 667 -12.915 -16.615 -17.696 1.00 0.00 C ATOM 237 CG ASP A 667 -12.723 -17.952 -16.938 1.00 0.00 C ATOM 238 OD1 ASP A 667 -13.483 -18.218 -15.981 1.00 0.00 O ATOM 239 OD2 ASP A 667 -11.834 -18.755 -17.318 1.00 0.00 O ATOM 0 H ASP A 667 -15.586 -17.744 -17.727 1.00 0.00 H new ATOM 0 HA ASP A 667 -14.108 -15.704 -19.274 1.00 0.00 H new ATOM 0 HB2 ASP A 667 -11.991 -16.366 -18.217 1.00 0.00 H new ATOM 0 HB3 ASP A 667 -13.098 -15.820 -16.973 1.00 0.00 H new ATOM 244 N GLN A 668 -14.854 -18.691 -19.896 1.00 0.00 N ATOM 245 CA GLN A 668 -14.731 -19.943 -20.712 1.00 0.00 C ATOM 246 C GLN A 668 -15.107 -19.746 -22.203 1.00 0.00 C ATOM 247 O GLN A 668 -15.445 -18.636 -22.599 1.00 0.00 O ATOM 248 CB GLN A 668 -15.585 -21.068 -20.040 1.00 0.00 C ATOM 249 CG GLN A 668 -17.021 -20.672 -19.593 1.00 0.00 C ATOM 250 CD GLN A 668 -18.021 -20.467 -20.729 1.00 0.00 C ATOM 251 OE1 GLN A 668 -18.696 -21.402 -21.146 1.00 0.00 O ATOM 252 NE2 GLN A 668 -18.120 -19.241 -21.243 1.00 0.00 N ATOM 0 H GLN A 668 -15.768 -18.586 -19.454 1.00 0.00 H new ATOM 0 HA GLN A 668 -13.681 -20.236 -20.727 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -15.662 -21.902 -20.738 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -15.044 -21.432 -19.167 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -17.404 -21.446 -18.928 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -16.963 -19.752 -19.011 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -17.544 -18.485 -20.873 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -18.772 -19.059 -22.006 1.00 0.00 H new ATOM 261 N ILE A 669 -15.008 -20.844 -23.020 1.00 0.00 N ATOM 262 CA ILE A 669 -15.344 -20.833 -24.481 1.00 0.00 C ATOM 263 C ILE A 669 -16.792 -21.305 -24.715 1.00 0.00 C ATOM 264 O ILE A 669 -17.528 -20.716 -25.507 1.00 0.00 O ATOM 265 CB ILE A 669 -14.414 -21.812 -25.335 1.00 0.00 C ATOM 266 CG1 ILE A 669 -12.914 -21.663 -24.967 1.00 0.00 C ATOM 267 CG2 ILE A 669 -14.620 -21.589 -26.858 1.00 0.00 C ATOM 268 CD1 ILE A 669 -11.956 -22.633 -25.649 1.00 0.00 C ATOM 0 H ILE A 669 -14.695 -21.755 -22.685 1.00 0.00 H new ATOM 0 HA ILE A 669 -15.195 -19.802 -24.802 1.00 0.00 H new ATOM 0 HB ILE A 669 -14.715 -22.830 -25.085 1.00 0.00 H new ATOM 0 HG12 ILE A 669 -12.601 -20.647 -25.207 1.00 0.00 H new ATOM 0 HG13 ILE A 669 -12.812 -21.782 -23.888 1.00 0.00 H new ATOM 0 HG21 ILE A 669 -13.975 -22.268 -27.416 1.00 0.00 H new ATOM 0 HG22 ILE A 669 -15.661 -21.783 -27.117 1.00 0.00 H new ATOM 0 HG23 ILE A 669 -14.369 -20.559 -27.112 1.00 0.00 H new ATOM 0 HD11 ILE A 669 -10.938 -22.434 -25.315 1.00 0.00 H new ATOM 0 HD12 ILE A 669 -12.229 -23.656 -25.391 1.00 0.00 H new ATOM 0 HD13 ILE A 669 -12.015 -22.503 -26.730 1.00 0.00 H new ATOM 280 N ASP A 670 -17.147 -22.395 -24.006 1.00 0.00 N ATOM 281 CA ASP A 670 -18.286 -23.296 -24.328 1.00 0.00 C ATOM 282 C ASP A 670 -19.600 -22.556 -24.659 1.00 0.00 C ATOM 283 O ASP A 670 -20.229 -22.811 -25.694 1.00 0.00 O ATOM 284 CB ASP A 670 -18.500 -24.280 -23.152 1.00 0.00 C ATOM 285 CG ASP A 670 -19.686 -25.250 -23.340 1.00 0.00 C ATOM 286 OD1 ASP A 670 -19.618 -26.128 -24.237 1.00 0.00 O ATOM 287 OD2 ASP A 670 -20.671 -25.161 -22.577 1.00 0.00 O ATOM 0 H ASP A 670 -16.640 -22.686 -23.170 1.00 0.00 H new ATOM 0 HA ASP A 670 -18.019 -23.833 -25.238 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -17.589 -24.862 -23.011 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -18.657 -23.707 -22.238 1.00 0.00 H new ATOM 292 N ARG A 671 -20.003 -21.658 -23.769 1.00 0.00 N ATOM 293 CA ARG A 671 -21.214 -20.847 -23.943 1.00 0.00 C ATOM 294 C ARG A 671 -20.919 -19.625 -24.827 1.00 0.00 C ATOM 295 O ARG A 671 -21.597 -19.381 -25.835 1.00 0.00 O ATOM 296 CB ARG A 671 -21.766 -20.416 -22.557 1.00 0.00 C ATOM 297 CG ARG A 671 -22.160 -21.585 -21.619 1.00 0.00 C ATOM 298 CD ARG A 671 -23.081 -22.619 -22.304 1.00 0.00 C ATOM 299 NE ARG A 671 -24.237 -21.997 -22.979 1.00 0.00 N ATOM 300 CZ ARG A 671 -24.866 -22.496 -24.056 1.00 0.00 C ATOM 301 NH1 ARG A 671 -24.498 -23.661 -24.589 1.00 0.00 N ATOM 302 NH2 ARG A 671 -25.863 -21.821 -24.599 1.00 0.00 N ATOM 0 H ARG A 671 -19.502 -21.467 -22.902 1.00 0.00 H new ATOM 0 HA ARG A 671 -21.975 -21.445 -24.444 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -21.014 -19.806 -22.057 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -22.640 -19.783 -22.711 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -21.256 -22.085 -21.270 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -22.663 -21.185 -20.739 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -22.503 -23.187 -23.033 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -23.440 -23.329 -21.559 1.00 0.00 H new ATOM 0 HE ARG A 671 -24.586 -21.118 -22.597 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -23.727 -24.189 -24.179 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -24.987 -24.025 -25.407 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -26.151 -20.927 -24.200 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -26.345 -22.194 -25.417 1.00 0.00 H new ATOM 316 N LYS A 672 -19.878 -18.883 -24.433 1.00 0.00 N ATOM 317 CA LYS A 672 -19.448 -17.647 -25.100 1.00 0.00 C ATOM 318 C LYS A 672 -17.935 -17.696 -25.316 1.00 0.00 C ATOM 319 O LYS A 672 -17.220 -17.849 -24.331 1.00 0.00 O ATOM 320 CB LYS A 672 -19.788 -16.401 -24.240 1.00 0.00 C ATOM 321 CG LYS A 672 -21.288 -16.186 -23.946 1.00 0.00 C ATOM 322 CD LYS A 672 -22.155 -16.000 -25.213 1.00 0.00 C ATOM 323 CE LYS A 672 -21.728 -14.794 -26.071 1.00 0.00 C ATOM 324 NZ LYS A 672 -22.671 -14.549 -27.193 1.00 0.00 N ATOM 0 H LYS A 672 -19.301 -19.128 -23.629 1.00 0.00 H new ATOM 0 HA LYS A 672 -19.973 -17.570 -26.052 1.00 0.00 H new ATOM 0 HB2 LYS A 672 -19.257 -16.480 -23.291 1.00 0.00 H new ATOM 0 HB3 LYS A 672 -19.404 -15.516 -24.747 1.00 0.00 H new ATOM 0 HG2 LYS A 672 -21.664 -17.040 -23.383 1.00 0.00 H new ATOM 0 HG3 LYS A 672 -21.401 -15.309 -23.308 1.00 0.00 H new ATOM 0 HD2 LYS A 672 -22.101 -16.905 -25.818 1.00 0.00 H new ATOM 0 HD3 LYS A 672 -23.197 -15.876 -24.917 1.00 0.00 H new ATOM 0 HE2 LYS A 672 -21.672 -13.904 -25.444 1.00 0.00 H new ATOM 0 HE3 LYS A 672 -20.728 -14.968 -26.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 672 -22.348 -13.729 -27.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 672 -22.706 -15.388 -27.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 672 -23.620 -14.358 -26.813 1.00 0.00 H new ATOM 338 N PRO A 673 -17.429 -17.603 -26.592 1.00 0.00 N ATOM 339 CA PRO A 673 -15.976 -17.546 -26.887 1.00 0.00 C ATOM 340 C PRO A 673 -15.191 -16.552 -25.998 1.00 0.00 C ATOM 341 O PRO A 673 -15.704 -15.481 -25.666 1.00 0.00 O ATOM 342 CB PRO A 673 -15.939 -17.109 -28.364 1.00 0.00 C ATOM 343 CG PRO A 673 -17.193 -17.673 -28.948 1.00 0.00 C ATOM 344 CD PRO A 673 -18.233 -17.618 -27.847 1.00 0.00 C ATOM 0 HA PRO A 673 -15.493 -18.503 -26.687 1.00 0.00 H new ATOM 0 HB2 PRO A 673 -15.910 -16.023 -28.457 1.00 0.00 H new ATOM 0 HB3 PRO A 673 -15.055 -17.496 -28.871 1.00 0.00 H new ATOM 0 HG2 PRO A 673 -17.513 -17.095 -29.815 1.00 0.00 H new ATOM 0 HG3 PRO A 673 -17.038 -18.697 -29.287 1.00 0.00 H new ATOM 0 HD2 PRO A 673 -18.857 -16.729 -27.932 1.00 0.00 H new ATOM 0 HD3 PRO A 673 -18.899 -18.480 -27.884 1.00 0.00 H new ATOM 352 N ARG A 674 -13.945 -16.921 -25.640 1.00 0.00 N ATOM 353 CA ARG A 674 -13.081 -16.143 -24.720 1.00 0.00 C ATOM 354 C ARG A 674 -11.878 -15.539 -25.465 1.00 0.00 C ATOM 355 O ARG A 674 -11.570 -15.935 -26.588 1.00 0.00 O ATOM 356 CB ARG A 674 -12.608 -17.045 -23.545 1.00 0.00 C ATOM 357 CG ARG A 674 -11.857 -18.333 -23.967 1.00 0.00 C ATOM 358 CD ARG A 674 -11.621 -19.332 -22.802 1.00 0.00 C ATOM 359 NE ARG A 674 -10.336 -19.197 -22.103 1.00 0.00 N ATOM 360 CZ ARG A 674 -10.082 -19.632 -20.851 1.00 0.00 C ATOM 361 NH1 ARG A 674 -11.047 -20.123 -20.074 1.00 0.00 N ATOM 362 NH2 ARG A 674 -8.858 -19.554 -20.364 1.00 0.00 N ATOM 0 H ARG A 674 -13.503 -17.774 -25.982 1.00 0.00 H new ATOM 0 HA ARG A 674 -13.665 -15.317 -24.315 1.00 0.00 H new ATOM 0 HB2 ARG A 674 -11.957 -16.459 -22.897 1.00 0.00 H new ATOM 0 HB3 ARG A 674 -13.477 -17.328 -22.952 1.00 0.00 H new ATOM 0 HG2 ARG A 674 -12.425 -18.833 -24.752 1.00 0.00 H new ATOM 0 HG3 ARG A 674 -10.894 -18.057 -24.397 1.00 0.00 H new ATOM 0 HD2 ARG A 674 -12.424 -19.212 -22.075 1.00 0.00 H new ATOM 0 HD3 ARG A 674 -11.696 -20.346 -23.195 1.00 0.00 H new ATOM 0 HE ARG A 674 -9.575 -18.738 -22.604 1.00 0.00 H new ATOM 0 HH11 ARG A 674 -12.004 -20.177 -20.422 1.00 0.00 H new ATOM 0 HH12 ARG A 674 -10.828 -20.445 -19.131 1.00 0.00 H new ATOM 0 HH21 ARG A 674 -8.106 -19.166 -20.934 1.00 0.00 H new ATOM 0 HH22 ARG A 674 -8.664 -19.882 -19.418 1.00 0.00 H new ATOM 376 N VAL A 675 -11.243 -14.546 -24.814 1.00 0.00 N ATOM 377 CA VAL A 675 -9.977 -13.916 -25.244 1.00 0.00 C ATOM 378 C VAL A 675 -9.172 -13.521 -23.991 1.00 0.00 C ATOM 379 O VAL A 675 -9.479 -12.542 -23.284 1.00 0.00 O ATOM 380 CB VAL A 675 -10.133 -12.660 -26.212 1.00 0.00 C ATOM 381 CG1 VAL A 675 -10.529 -13.096 -27.630 1.00 0.00 C ATOM 382 CG2 VAL A 675 -11.126 -11.604 -25.680 1.00 0.00 C ATOM 0 H VAL A 675 -11.606 -14.147 -23.948 1.00 0.00 H new ATOM 0 HA VAL A 675 -9.456 -14.662 -25.843 1.00 0.00 H new ATOM 0 HB VAL A 675 -9.152 -12.186 -26.247 1.00 0.00 H new ATOM 0 HG11 VAL A 675 -10.628 -12.217 -28.267 1.00 0.00 H new ATOM 0 HG12 VAL A 675 -9.761 -13.754 -28.036 1.00 0.00 H new ATOM 0 HG13 VAL A 675 -11.480 -13.627 -27.595 1.00 0.00 H new ATOM 0 HG21 VAL A 675 -11.187 -10.775 -26.385 1.00 0.00 H new ATOM 0 HG22 VAL A 675 -12.111 -12.056 -25.565 1.00 0.00 H new ATOM 0 HG23 VAL A 675 -10.782 -11.235 -24.714 1.00 0.00 H new ATOM 392 N GLN A 676 -8.177 -14.344 -23.686 1.00 0.00 N ATOM 393 CA GLN A 676 -7.297 -14.169 -22.535 1.00 0.00 C ATOM 394 C GLN A 676 -6.143 -13.260 -22.944 1.00 0.00 C ATOM 395 O GLN A 676 -5.103 -13.732 -23.399 1.00 0.00 O ATOM 396 CB GLN A 676 -6.831 -15.566 -22.021 1.00 0.00 C ATOM 397 CG GLN A 676 -7.851 -16.285 -21.098 1.00 0.00 C ATOM 398 CD GLN A 676 -9.267 -16.402 -21.655 1.00 0.00 C ATOM 399 OE1 GLN A 676 -9.466 -16.553 -22.859 1.00 0.00 O ATOM 400 NE2 GLN A 676 -10.264 -16.341 -20.781 1.00 0.00 N ATOM 0 H GLN A 676 -7.954 -15.169 -24.243 1.00 0.00 H new ATOM 0 HA GLN A 676 -7.814 -13.690 -21.704 1.00 0.00 H new ATOM 0 HB2 GLN A 676 -6.624 -16.205 -22.880 1.00 0.00 H new ATOM 0 HB3 GLN A 676 -5.892 -15.446 -21.480 1.00 0.00 H new ATOM 0 HG2 GLN A 676 -7.479 -17.287 -20.884 1.00 0.00 H new ATOM 0 HG3 GLN A 676 -7.895 -15.752 -20.148 1.00 0.00 H new ATOM 0 HE21 GLN A 676 -10.065 -16.215 -19.789 1.00 0.00 H new ATOM 0 HE22 GLN A 676 -11.229 -16.420 -21.102 1.00 0.00 H new ATOM 409 N CYS A 677 -6.407 -11.937 -22.843 1.00 0.00 N ATOM 410 CA CYS A 677 -5.511 -10.863 -23.295 1.00 0.00 C ATOM 411 C CYS A 677 -4.117 -11.005 -22.659 1.00 0.00 C ATOM 412 O CYS A 677 -3.856 -10.467 -21.583 1.00 0.00 O ATOM 413 CB CYS A 677 -6.133 -9.494 -22.964 1.00 0.00 C ATOM 414 SG CYS A 677 -5.123 -8.069 -23.476 1.00 0.00 S ATOM 0 H CYS A 677 -7.272 -11.585 -22.434 1.00 0.00 H new ATOM 0 HA CYS A 677 -5.387 -10.939 -24.375 1.00 0.00 H new ATOM 0 HB2 CYS A 677 -7.108 -9.425 -23.446 1.00 0.00 H new ATOM 0 HB3 CYS A 677 -6.304 -9.436 -21.889 1.00 0.00 H new ATOM 419 N LEU A 678 -3.258 -11.753 -23.372 1.00 0.00 N ATOM 420 CA LEU A 678 -1.948 -12.247 -22.897 1.00 0.00 C ATOM 421 C LEU A 678 -0.988 -11.127 -22.458 1.00 0.00 C ATOM 422 O LEU A 678 -0.091 -11.358 -21.638 1.00 0.00 O ATOM 423 CB LEU A 678 -1.336 -13.151 -24.016 1.00 0.00 C ATOM 424 CG LEU A 678 -1.247 -12.512 -25.460 1.00 0.00 C ATOM 425 CD1 LEU A 678 0.113 -11.827 -25.725 1.00 0.00 C ATOM 426 CD2 LEU A 678 -1.577 -13.539 -26.571 1.00 0.00 C ATOM 0 H LEU A 678 -3.461 -12.042 -24.329 1.00 0.00 H new ATOM 0 HA LEU A 678 -2.104 -12.831 -21.990 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -0.332 -13.444 -23.709 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -1.928 -14.064 -24.081 1.00 0.00 H new ATOM 0 HG LEU A 678 -2.009 -11.733 -25.490 1.00 0.00 H new ATOM 0 HD11 LEU A 678 0.119 -11.406 -26.730 1.00 0.00 H new ATOM 0 HD12 LEU A 678 0.267 -11.030 -24.997 1.00 0.00 H new ATOM 0 HD13 LEU A 678 0.914 -12.561 -25.635 1.00 0.00 H new ATOM 0 HD21 LEU A 678 -1.504 -13.057 -27.546 1.00 0.00 H new ATOM 0 HD22 LEU A 678 -0.871 -14.368 -26.522 1.00 0.00 H new ATOM 0 HD23 LEU A 678 -2.590 -13.917 -26.428 1.00 0.00 H new ATOM 438 N LYS A 679 -1.203 -9.916 -23.002 1.00 0.00 N ATOM 439 CA LYS A 679 -0.415 -8.725 -22.660 1.00 0.00 C ATOM 440 C LYS A 679 -0.597 -8.329 -21.177 1.00 0.00 C ATOM 441 O LYS A 679 0.381 -8.026 -20.495 1.00 0.00 O ATOM 442 CB LYS A 679 -0.800 -7.546 -23.595 1.00 0.00 C ATOM 443 CG LYS A 679 0.019 -6.245 -23.376 1.00 0.00 C ATOM 444 CD LYS A 679 -0.181 -5.203 -24.506 1.00 0.00 C ATOM 445 CE LYS A 679 0.351 -5.686 -25.871 1.00 0.00 C ATOM 446 NZ LYS A 679 0.269 -4.634 -26.920 1.00 0.00 N ATOM 0 H LYS A 679 -1.932 -9.738 -23.693 1.00 0.00 H new ATOM 0 HA LYS A 679 0.639 -8.963 -22.805 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -0.676 -7.866 -24.630 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -1.857 -7.321 -23.455 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -0.267 -5.799 -22.424 1.00 0.00 H new ATOM 0 HG3 LYS A 679 1.077 -6.497 -23.305 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -1.242 -4.973 -24.597 1.00 0.00 H new ATOM 0 HD3 LYS A 679 0.324 -4.277 -24.232 1.00 0.00 H new ATOM 0 HE2 LYS A 679 1.388 -6.005 -25.761 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -0.218 -6.559 -26.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -0.320 -4.974 -27.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -0.154 -3.774 -26.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 1.224 -4.418 -27.271 1.00 0.00 H new ATOM 460 N CYS A 680 -1.851 -8.347 -20.676 1.00 0.00 N ATOM 461 CA CYS A 680 -2.162 -7.895 -19.293 1.00 0.00 C ATOM 462 C CYS A 680 -2.886 -8.993 -18.482 1.00 0.00 C ATOM 463 O CYS A 680 -3.397 -8.717 -17.390 1.00 0.00 O ATOM 464 CB CYS A 680 -3.011 -6.600 -19.338 1.00 0.00 C ATOM 465 SG CYS A 680 -4.722 -6.846 -19.899 1.00 0.00 S ATOM 0 H CYS A 680 -2.664 -8.667 -21.202 1.00 0.00 H new ATOM 0 HA CYS A 680 -1.219 -7.687 -18.787 1.00 0.00 H new ATOM 0 HB2 CYS A 680 -3.028 -6.156 -18.343 1.00 0.00 H new ATOM 0 HB3 CYS A 680 -2.524 -5.883 -19.999 1.00 0.00 H new ATOM 470 N HIS A 681 -2.893 -10.238 -19.030 1.00 0.00 N ATOM 471 CA HIS A 681 -3.536 -11.430 -18.411 1.00 0.00 C ATOM 472 C HIS A 681 -5.028 -11.199 -18.078 1.00 0.00 C ATOM 473 O HIS A 681 -5.526 -11.696 -17.068 1.00 0.00 O ATOM 474 CB HIS A 681 -2.735 -11.900 -17.156 1.00 0.00 C ATOM 475 CG HIS A 681 -1.404 -12.531 -17.480 1.00 0.00 C ATOM 476 ND1 HIS A 681 -1.058 -13.801 -17.077 1.00 0.00 N ATOM 477 CD2 HIS A 681 -0.338 -12.060 -18.167 1.00 0.00 C ATOM 478 CE1 HIS A 681 0.157 -14.081 -17.498 1.00 0.00 C ATOM 479 NE2 HIS A 681 0.616 -13.042 -18.165 1.00 0.00 N ATOM 0 H HIS A 681 -2.447 -10.445 -19.924 1.00 0.00 H new ATOM 0 HA HIS A 681 -3.511 -12.228 -19.153 1.00 0.00 H new ATOM 0 HB2 HIS A 681 -2.570 -11.044 -16.501 1.00 0.00 H new ATOM 0 HB3 HIS A 681 -3.339 -12.616 -16.599 1.00 0.00 H new ATOM 0 HD2 HIS A 681 -0.255 -11.088 -18.631 1.00 0.00 H new ATOM 0 HE1 HIS A 681 0.688 -15.006 -17.326 1.00 0.00 H new ATOM 0 HE2 HIS A 681 1.533 -12.979 -18.608 1.00 0.00 H new ATOM 488 N LEU A 682 -5.750 -10.495 -18.969 1.00 0.00 N ATOM 489 CA LEU A 682 -7.164 -10.126 -18.727 1.00 0.00 C ATOM 490 C LEU A 682 -8.069 -11.249 -19.273 1.00 0.00 C ATOM 491 O LEU A 682 -8.012 -11.567 -20.468 1.00 0.00 O ATOM 492 CB LEU A 682 -7.487 -8.746 -19.398 1.00 0.00 C ATOM 493 CG LEU A 682 -8.619 -7.876 -18.749 1.00 0.00 C ATOM 494 CD1 LEU A 682 -9.988 -8.580 -18.753 1.00 0.00 C ATOM 495 CD2 LEU A 682 -8.226 -7.435 -17.327 1.00 0.00 C ATOM 0 H LEU A 682 -5.382 -10.169 -19.863 1.00 0.00 H new ATOM 0 HA LEU A 682 -7.347 -10.016 -17.658 1.00 0.00 H new ATOM 0 HB2 LEU A 682 -6.572 -8.154 -19.409 1.00 0.00 H new ATOM 0 HB3 LEU A 682 -7.759 -8.932 -20.437 1.00 0.00 H new ATOM 0 HG LEU A 682 -8.726 -6.987 -19.370 1.00 0.00 H new ATOM 0 HD11 LEU A 682 -10.732 -7.931 -18.292 1.00 0.00 H new ATOM 0 HD12 LEU A 682 -10.282 -8.797 -19.780 1.00 0.00 H new ATOM 0 HD13 LEU A 682 -9.920 -9.511 -18.190 1.00 0.00 H new ATOM 0 HD21 LEU A 682 -9.027 -6.833 -16.898 1.00 0.00 H new ATOM 0 HD22 LEU A 682 -8.061 -8.315 -16.706 1.00 0.00 H new ATOM 0 HD23 LEU A 682 -7.311 -6.844 -17.369 1.00 0.00 H new ATOM 507 N TRP A 683 -8.913 -11.815 -18.390 1.00 0.00 N ATOM 508 CA TRP A 683 -9.809 -12.932 -18.730 1.00 0.00 C ATOM 509 C TRP A 683 -11.122 -12.369 -19.291 1.00 0.00 C ATOM 510 O TRP A 683 -12.043 -12.018 -18.533 1.00 0.00 O ATOM 511 CB TRP A 683 -10.085 -13.825 -17.482 1.00 0.00 C ATOM 512 CG TRP A 683 -8.871 -14.220 -16.651 1.00 0.00 C ATOM 513 CD1 TRP A 683 -8.849 -14.360 -15.291 1.00 0.00 C ATOM 514 CD2 TRP A 683 -7.515 -14.515 -17.091 1.00 0.00 C ATOM 515 NE1 TRP A 683 -7.605 -14.732 -14.868 1.00 0.00 N ATOM 516 CE2 TRP A 683 -6.774 -14.826 -15.940 1.00 0.00 C ATOM 517 CE3 TRP A 683 -6.860 -14.550 -18.325 1.00 0.00 C ATOM 518 CZ2 TRP A 683 -5.428 -15.166 -15.986 1.00 0.00 C ATOM 519 CZ3 TRP A 683 -5.523 -14.885 -18.373 1.00 0.00 C ATOM 520 CH2 TRP A 683 -4.819 -15.194 -17.208 1.00 0.00 C ATOM 0 H TRP A 683 -8.992 -11.509 -17.420 1.00 0.00 H new ATOM 0 HA TRP A 683 -9.330 -13.557 -19.483 1.00 0.00 H new ATOM 0 HB2 TRP A 683 -10.786 -13.299 -16.834 1.00 0.00 H new ATOM 0 HB3 TRP A 683 -10.581 -14.736 -17.817 1.00 0.00 H new ATOM 0 HD1 TRP A 683 -9.697 -14.199 -14.642 1.00 0.00 H new ATOM 0 HE1 TRP A 683 -7.341 -14.911 -13.899 1.00 0.00 H new ATOM 0 HE3 TRP A 683 -7.396 -14.317 -19.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 683 -4.881 -15.401 -15.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 683 -5.014 -14.909 -19.325 1.00 0.00 H new ATOM 0 HH2 TRP A 683 -3.774 -15.460 -17.274 1.00 0.00 H new ATOM 531 N GLN A 684 -11.186 -12.236 -20.622 1.00 0.00 N ATOM 532 CA GLN A 684 -12.316 -11.584 -21.305 1.00 0.00 C ATOM 533 C GLN A 684 -13.055 -12.577 -22.220 1.00 0.00 C ATOM 534 O GLN A 684 -12.658 -13.737 -22.343 1.00 0.00 O ATOM 535 CB GLN A 684 -11.775 -10.344 -22.090 1.00 0.00 C ATOM 536 CG GLN A 684 -12.816 -9.205 -22.322 1.00 0.00 C ATOM 537 CD GLN A 684 -12.245 -7.824 -22.008 1.00 0.00 C ATOM 538 OE1 GLN A 684 -11.789 -7.103 -22.884 1.00 0.00 O ATOM 539 NE2 GLN A 684 -12.184 -7.504 -20.722 1.00 0.00 N ATOM 0 H GLN A 684 -10.461 -12.575 -21.255 1.00 0.00 H new ATOM 0 HA GLN A 684 -13.048 -11.243 -20.573 1.00 0.00 H new ATOM 0 HB2 GLN A 684 -10.924 -9.933 -21.548 1.00 0.00 H new ATOM 0 HB3 GLN A 684 -11.404 -10.680 -23.058 1.00 0.00 H new ATOM 0 HG2 GLN A 684 -13.153 -9.229 -23.358 1.00 0.00 H new ATOM 0 HG3 GLN A 684 -13.692 -9.384 -21.698 1.00 0.00 H new ATOM 0 HE21 GLN A 684 -12.576 -8.132 -20.021 1.00 0.00 H new ATOM 0 HE22 GLN A 684 -11.745 -6.629 -20.434 1.00 0.00 H new ATOM 548 N HIS A 685 -14.175 -12.121 -22.808 1.00 0.00 N ATOM 549 CA HIS A 685 -14.906 -12.864 -23.853 1.00 0.00 C ATOM 550 C HIS A 685 -14.645 -12.213 -25.218 1.00 0.00 C ATOM 551 O HIS A 685 -14.658 -10.979 -25.330 1.00 0.00 O ATOM 552 CB HIS A 685 -16.429 -12.885 -23.585 1.00 0.00 C ATOM 553 CG HIS A 685 -16.865 -13.682 -22.380 1.00 0.00 C ATOM 554 ND1 HIS A 685 -17.392 -13.053 -21.285 1.00 0.00 N ATOM 555 CD2 HIS A 685 -16.910 -15.027 -22.184 1.00 0.00 C ATOM 556 CE1 HIS A 685 -17.756 -14.009 -20.455 1.00 0.00 C ATOM 557 NE2 HIS A 685 -17.484 -15.228 -20.951 1.00 0.00 N ATOM 0 H HIS A 685 -14.601 -11.225 -22.572 1.00 0.00 H new ATOM 0 HA HIS A 685 -14.546 -13.893 -23.844 1.00 0.00 H new ATOM 0 HB2 HIS A 685 -16.773 -11.858 -23.464 1.00 0.00 H new ATOM 0 HB3 HIS A 685 -16.930 -13.287 -24.466 1.00 0.00 H new ATOM 0 HD2 HIS A 685 -16.562 -15.790 -22.865 1.00 0.00 H new ATOM 0 HE1 HIS A 685 -18.217 -13.835 -19.494 1.00 0.00 H new ATOM 0 HE2 HIS A 685 -17.667 -16.125 -20.502 1.00 0.00 H new ATOM 565 N ALA A 686 -14.411 -13.056 -26.235 1.00 0.00 N ATOM 566 CA ALA A 686 -14.248 -12.634 -27.632 1.00 0.00 C ATOM 567 C ALA A 686 -15.473 -11.837 -28.121 1.00 0.00 C ATOM 568 O ALA A 686 -15.341 -10.722 -28.610 1.00 0.00 O ATOM 569 CB ALA A 686 -14.010 -13.868 -28.516 1.00 0.00 C ATOM 0 H ALA A 686 -14.329 -14.065 -26.107 1.00 0.00 H new ATOM 0 HA ALA A 686 -13.383 -11.974 -27.700 1.00 0.00 H new ATOM 0 HB1 ALA A 686 -13.889 -13.555 -29.553 1.00 0.00 H new ATOM 0 HB2 ALA A 686 -13.109 -14.384 -28.185 1.00 0.00 H new ATOM 0 HB3 ALA A 686 -14.863 -14.542 -28.438 1.00 0.00 H new ATOM 575 N LYS A 687 -16.668 -12.413 -27.928 1.00 0.00 N ATOM 576 CA LYS A 687 -17.948 -11.801 -28.368 1.00 0.00 C ATOM 577 C LYS A 687 -18.229 -10.458 -27.655 1.00 0.00 C ATOM 578 O LYS A 687 -18.855 -9.564 -28.235 1.00 0.00 O ATOM 579 CB LYS A 687 -19.124 -12.824 -28.179 1.00 0.00 C ATOM 580 CG LYS A 687 -19.469 -13.653 -29.448 1.00 0.00 C ATOM 581 CD LYS A 687 -18.239 -14.320 -30.106 1.00 0.00 C ATOM 582 CE LYS A 687 -18.579 -15.030 -31.430 1.00 0.00 C ATOM 583 NZ LYS A 687 -19.121 -14.091 -32.448 1.00 0.00 N ATOM 0 H LYS A 687 -16.784 -13.314 -27.464 1.00 0.00 H new ATOM 0 HA LYS A 687 -17.865 -11.565 -29.429 1.00 0.00 H new ATOM 0 HB2 LYS A 687 -18.866 -13.510 -27.372 1.00 0.00 H new ATOM 0 HB3 LYS A 687 -20.014 -12.280 -27.863 1.00 0.00 H new ATOM 0 HG2 LYS A 687 -20.191 -14.425 -29.182 1.00 0.00 H new ATOM 0 HG3 LYS A 687 -19.952 -13.002 -30.177 1.00 0.00 H new ATOM 0 HD2 LYS A 687 -17.477 -13.563 -30.291 1.00 0.00 H new ATOM 0 HD3 LYS A 687 -17.809 -15.042 -29.412 1.00 0.00 H new ATOM 0 HE2 LYS A 687 -17.683 -15.511 -31.823 1.00 0.00 H new ATOM 0 HE3 LYS A 687 -19.308 -15.818 -31.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 -19.145 -14.561 -33.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 -20.085 -13.806 -32.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 -18.513 -13.249 -32.502 1.00 0.00 H new ATOM 597 N CYS A 688 -17.719 -10.313 -26.416 1.00 0.00 N ATOM 598 CA CYS A 688 -17.841 -9.062 -25.635 1.00 0.00 C ATOM 599 C CYS A 688 -17.048 -7.896 -26.267 1.00 0.00 C ATOM 600 O CYS A 688 -17.375 -6.729 -26.040 1.00 0.00 O ATOM 601 CB CYS A 688 -17.388 -9.281 -24.176 1.00 0.00 C ATOM 602 SG CYS A 688 -18.564 -10.248 -23.177 1.00 0.00 S ATOM 0 H CYS A 688 -17.214 -11.053 -25.929 1.00 0.00 H new ATOM 0 HA CYS A 688 -18.895 -8.786 -25.645 1.00 0.00 H new ATOM 0 HB2 CYS A 688 -16.424 -9.789 -24.177 1.00 0.00 H new ATOM 0 HB3 CYS A 688 -17.236 -8.311 -23.703 1.00 0.00 H new ATOM 607 N VAL A 689 -15.996 -8.224 -27.050 1.00 0.00 N ATOM 608 CA VAL A 689 -15.149 -7.225 -27.748 1.00 0.00 C ATOM 609 C VAL A 689 -15.293 -7.361 -29.289 1.00 0.00 C ATOM 610 O VAL A 689 -14.426 -6.900 -30.045 1.00 0.00 O ATOM 611 CB VAL A 689 -13.639 -7.349 -27.288 1.00 0.00 C ATOM 612 CG1 VAL A 689 -13.504 -7.078 -25.768 1.00 0.00 C ATOM 613 CG2 VAL A 689 -13.024 -8.722 -27.655 1.00 0.00 C ATOM 0 H VAL A 689 -15.708 -9.188 -27.217 1.00 0.00 H new ATOM 0 HA VAL A 689 -15.494 -6.228 -27.474 1.00 0.00 H new ATOM 0 HB VAL A 689 -13.076 -6.590 -27.831 1.00 0.00 H new ATOM 0 HG11 VAL A 689 -12.458 -7.169 -25.474 1.00 0.00 H new ATOM 0 HG12 VAL A 689 -13.858 -6.071 -25.545 1.00 0.00 H new ATOM 0 HG13 VAL A 689 -14.101 -7.803 -25.215 1.00 0.00 H new ATOM 0 HG21 VAL A 689 -11.988 -8.758 -27.319 1.00 0.00 H new ATOM 0 HG22 VAL A 689 -13.591 -9.516 -27.169 1.00 0.00 H new ATOM 0 HG23 VAL A 689 -13.060 -8.860 -28.736 1.00 0.00 H new ATOM 623 N ASN A 690 -16.424 -7.984 -29.727 1.00 0.00 N ATOM 624 CA ASN A 690 -16.811 -8.159 -31.165 1.00 0.00 C ATOM 625 C ASN A 690 -15.857 -9.110 -31.948 1.00 0.00 C ATOM 626 O ASN A 690 -15.974 -9.249 -33.171 1.00 0.00 O ATOM 627 CB ASN A 690 -16.961 -6.784 -31.895 1.00 0.00 C ATOM 628 CG ASN A 690 -18.099 -5.916 -31.340 1.00 0.00 C ATOM 629 OD1 ASN A 690 -17.913 -5.139 -30.398 1.00 0.00 O ATOM 630 ND2 ASN A 690 -19.288 -6.036 -31.923 1.00 0.00 N ATOM 0 H ASN A 690 -17.106 -8.386 -29.084 1.00 0.00 H new ATOM 0 HA ASN A 690 -17.787 -8.645 -31.152 1.00 0.00 H new ATOM 0 HB2 ASN A 690 -16.023 -6.235 -31.814 1.00 0.00 H new ATOM 0 HB3 ASN A 690 -17.135 -6.962 -32.956 1.00 0.00 H new ATOM 0 HD21 ASN A 690 -20.076 -5.478 -31.594 1.00 0.00 H new ATOM 0 HD22 ASN A 690 -19.412 -6.686 -32.699 1.00 0.00 H new ATOM 637 N TYR A 691 -14.963 -9.781 -31.216 1.00 0.00 N ATOM 638 CA TYR A 691 -13.978 -10.752 -31.747 1.00 0.00 C ATOM 639 C TYR A 691 -14.627 -12.159 -31.753 1.00 0.00 C ATOM 640 O TYR A 691 -15.796 -12.303 -31.356 1.00 0.00 O ATOM 641 CB TYR A 691 -12.722 -10.677 -30.822 1.00 0.00 C ATOM 642 CG TYR A 691 -11.388 -11.207 -31.382 1.00 0.00 C ATOM 643 CD1 TYR A 691 -10.623 -10.444 -32.268 1.00 0.00 C ATOM 644 CD2 TYR A 691 -10.853 -12.423 -30.959 1.00 0.00 C ATOM 645 CE1 TYR A 691 -9.388 -10.882 -32.709 1.00 0.00 C ATOM 646 CE2 TYR A 691 -9.624 -12.867 -31.408 1.00 0.00 C ATOM 647 CZ TYR A 691 -8.890 -12.089 -32.278 1.00 0.00 C ATOM 648 OH TYR A 691 -7.647 -12.503 -32.710 1.00 0.00 O ATOM 0 H TYR A 691 -14.896 -9.666 -30.205 1.00 0.00 H new ATOM 0 HA TYR A 691 -13.676 -10.531 -32.771 1.00 0.00 H new ATOM 0 HB2 TYR A 691 -12.576 -9.635 -30.538 1.00 0.00 H new ATOM 0 HB3 TYR A 691 -12.945 -11.228 -29.908 1.00 0.00 H new ATOM 0 HD1 TYR A 691 -11.003 -9.495 -32.615 1.00 0.00 H new ATOM 0 HD2 TYR A 691 -11.412 -13.032 -30.264 1.00 0.00 H new ATOM 0 HE1 TYR A 691 -8.814 -10.275 -33.393 1.00 0.00 H new ATOM 0 HE2 TYR A 691 -9.239 -13.821 -31.078 1.00 0.00 H new ATOM 0 HH TYR A 691 -7.690 -13.446 -32.975 1.00 0.00 H new ATOM 658 N ASP A 692 -13.895 -13.201 -32.181 1.00 0.00 N ATOM 659 CA ASP A 692 -14.429 -14.590 -32.202 1.00 0.00 C ATOM 660 C ASP A 692 -13.353 -15.635 -31.865 1.00 0.00 C ATOM 661 O ASP A 692 -12.157 -15.330 -31.812 1.00 0.00 O ATOM 662 CB ASP A 692 -15.086 -14.911 -33.567 1.00 0.00 C ATOM 663 CG ASP A 692 -14.118 -14.801 -34.755 1.00 0.00 C ATOM 664 OD1 ASP A 692 -13.980 -13.697 -35.324 1.00 0.00 O ATOM 665 OD2 ASP A 692 -13.473 -15.811 -35.112 1.00 0.00 O ATOM 0 H ASP A 692 -12.936 -13.118 -32.517 1.00 0.00 H new ATOM 0 HA ASP A 692 -15.190 -14.646 -31.424 1.00 0.00 H new ATOM 0 HB2 ASP A 692 -15.496 -15.920 -33.535 1.00 0.00 H new ATOM 0 HB3 ASP A 692 -15.923 -14.232 -33.727 1.00 0.00 H new ATOM 670 N GLU A 693 -13.824 -16.881 -31.659 1.00 0.00 N ATOM 671 CA GLU A 693 -12.979 -18.038 -31.293 1.00 0.00 C ATOM 672 C GLU A 693 -12.109 -18.534 -32.470 1.00 0.00 C ATOM 673 O GLU A 693 -10.978 -18.986 -32.249 1.00 0.00 O ATOM 674 CB GLU A 693 -13.854 -19.200 -30.720 1.00 0.00 C ATOM 675 CG GLU A 693 -15.169 -19.462 -31.489 1.00 0.00 C ATOM 676 CD GLU A 693 -15.948 -20.710 -31.040 1.00 0.00 C ATOM 677 OE1 GLU A 693 -16.247 -20.844 -29.837 1.00 0.00 O ATOM 678 OE2 GLU A 693 -16.248 -21.573 -31.896 1.00 0.00 O ATOM 0 H GLU A 693 -14.813 -17.116 -31.743 1.00 0.00 H new ATOM 0 HA GLU A 693 -12.293 -17.698 -30.517 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -13.262 -20.115 -30.719 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -14.096 -18.976 -29.681 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -15.815 -18.591 -31.381 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -14.939 -19.558 -32.550 1.00 0.00 H new ATOM 685 N LYS A 694 -12.606 -18.414 -33.716 1.00 0.00 N ATOM 686 CA LYS A 694 -11.900 -18.952 -34.910 1.00 0.00 C ATOM 687 C LYS A 694 -10.535 -18.253 -35.098 1.00 0.00 C ATOM 688 O LYS A 694 -9.513 -18.921 -35.312 1.00 0.00 O ATOM 689 CB LYS A 694 -12.764 -18.841 -36.207 1.00 0.00 C ATOM 690 CG LYS A 694 -13.958 -19.833 -36.312 1.00 0.00 C ATOM 691 CD LYS A 694 -15.095 -19.573 -35.301 1.00 0.00 C ATOM 692 CE LYS A 694 -16.243 -20.597 -35.426 1.00 0.00 C ATOM 693 NZ LYS A 694 -17.319 -20.354 -34.428 1.00 0.00 N ATOM 0 H LYS A 694 -13.490 -17.952 -33.929 1.00 0.00 H new ATOM 0 HA LYS A 694 -11.727 -20.013 -34.731 1.00 0.00 H new ATOM 0 HB2 LYS A 694 -13.153 -17.825 -36.276 1.00 0.00 H new ATOM 0 HB3 LYS A 694 -12.113 -18.992 -37.068 1.00 0.00 H new ATOM 0 HG2 LYS A 694 -14.367 -19.784 -37.321 1.00 0.00 H new ATOM 0 HG3 LYS A 694 -13.585 -20.847 -36.168 1.00 0.00 H new ATOM 0 HD2 LYS A 694 -14.692 -19.606 -34.289 1.00 0.00 H new ATOM 0 HD3 LYS A 694 -15.490 -18.569 -35.454 1.00 0.00 H new ATOM 0 HE2 LYS A 694 -16.663 -20.549 -36.431 1.00 0.00 H new ATOM 0 HE3 LYS A 694 -15.847 -21.604 -35.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 -18.200 -20.802 -34.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 -17.041 -20.760 -33.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 -17.469 -19.330 -34.322 1.00 0.00 H new ATOM 707 N ASN A 695 -10.519 -16.907 -34.978 1.00 0.00 N ATOM 708 CA ASN A 695 -9.263 -16.122 -35.041 1.00 0.00 C ATOM 709 C ASN A 695 -8.611 -15.943 -33.655 1.00 0.00 C ATOM 710 O ASN A 695 -7.565 -15.311 -33.553 1.00 0.00 O ATOM 711 CB ASN A 695 -9.451 -14.755 -35.769 1.00 0.00 C ATOM 712 CG ASN A 695 -10.567 -13.824 -35.265 1.00 0.00 C ATOM 713 OD1 ASN A 695 -11.034 -12.964 -36.010 1.00 0.00 O ATOM 714 ND2 ASN A 695 -11.013 -13.951 -34.025 1.00 0.00 N ATOM 0 H ASN A 695 -11.357 -16.342 -34.838 1.00 0.00 H new ATOM 0 HA ASN A 695 -8.571 -16.710 -35.644 1.00 0.00 H new ATOM 0 HB2 ASN A 695 -8.508 -14.211 -35.710 1.00 0.00 H new ATOM 0 HB3 ASN A 695 -9.635 -14.959 -36.824 1.00 0.00 H new ATOM 0 HD21 ASN A 695 -11.749 -13.333 -33.682 1.00 0.00 H new ATOM 0 HD22 ASN A 695 -10.621 -14.667 -33.413 1.00 0.00 H new ATOM 721 N LEU A 696 -9.239 -16.485 -32.590 1.00 0.00 N ATOM 722 CA LEU A 696 -8.596 -16.620 -31.254 1.00 0.00 C ATOM 723 C LEU A 696 -7.400 -17.588 -31.362 1.00 0.00 C ATOM 724 O LEU A 696 -6.317 -17.311 -30.832 1.00 0.00 O ATOM 725 CB LEU A 696 -9.632 -17.132 -30.198 1.00 0.00 C ATOM 726 CG LEU A 696 -9.098 -17.637 -28.813 1.00 0.00 C ATOM 727 CD1 LEU A 696 -8.616 -16.480 -27.924 1.00 0.00 C ATOM 728 CD2 LEU A 696 -10.158 -18.503 -28.085 1.00 0.00 C ATOM 0 H LEU A 696 -10.195 -16.839 -32.624 1.00 0.00 H new ATOM 0 HA LEU A 696 -8.237 -15.645 -30.924 1.00 0.00 H new ATOM 0 HB2 LEU A 696 -10.338 -16.324 -30.007 1.00 0.00 H new ATOM 0 HB3 LEU A 696 -10.195 -17.946 -30.654 1.00 0.00 H new ATOM 0 HG LEU A 696 -8.231 -18.267 -29.014 1.00 0.00 H new ATOM 0 HD11 LEU A 696 -8.255 -16.876 -26.975 1.00 0.00 H new ATOM 0 HD12 LEU A 696 -7.808 -15.948 -28.426 1.00 0.00 H new ATOM 0 HD13 LEU A 696 -9.443 -15.794 -27.740 1.00 0.00 H new ATOM 0 HD21 LEU A 696 -9.759 -18.838 -27.128 1.00 0.00 H new ATOM 0 HD22 LEU A 696 -11.057 -17.911 -27.916 1.00 0.00 H new ATOM 0 HD23 LEU A 696 -10.404 -19.369 -28.699 1.00 0.00 H new ATOM 740 N LYS A 697 -7.616 -18.725 -32.064 1.00 0.00 N ATOM 741 CA LYS A 697 -6.541 -19.723 -32.326 1.00 0.00 C ATOM 742 C LYS A 697 -5.386 -19.116 -33.158 1.00 0.00 C ATOM 743 O LYS A 697 -4.205 -19.355 -32.872 1.00 0.00 O ATOM 744 CB LYS A 697 -7.087 -21.010 -33.045 1.00 0.00 C ATOM 745 CG LYS A 697 -7.775 -22.047 -32.117 1.00 0.00 C ATOM 746 CD LYS A 697 -9.222 -21.671 -31.736 1.00 0.00 C ATOM 747 CE LYS A 697 -10.200 -21.875 -32.907 1.00 0.00 C ATOM 748 NZ LYS A 697 -10.400 -23.304 -33.237 1.00 0.00 N ATOM 0 H LYS A 697 -8.521 -18.978 -32.460 1.00 0.00 H new ATOM 0 HA LYS A 697 -6.156 -20.013 -31.348 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -7.799 -20.704 -33.811 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -6.259 -21.499 -33.557 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -7.779 -23.018 -32.612 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -7.185 -22.155 -31.207 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -9.542 -22.276 -30.887 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -9.253 -20.630 -31.415 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -11.161 -21.426 -32.656 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -9.823 -21.352 -33.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -11.208 -23.401 -33.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -9.544 -23.678 -33.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -10.589 -23.839 -32.365 1.00 0.00 H new ATOM 762 N ILE A 698 -5.751 -18.341 -34.196 1.00 0.00 N ATOM 763 CA ILE A 698 -4.787 -17.810 -35.184 1.00 0.00 C ATOM 764 C ILE A 698 -4.113 -16.532 -34.656 1.00 0.00 C ATOM 765 O ILE A 698 -2.939 -16.528 -34.277 1.00 0.00 O ATOM 766 CB ILE A 698 -5.487 -17.469 -36.567 1.00 0.00 C ATOM 767 CG1 ILE A 698 -6.491 -18.585 -36.972 1.00 0.00 C ATOM 768 CG2 ILE A 698 -4.434 -17.215 -37.681 1.00 0.00 C ATOM 769 CD1 ILE A 698 -7.343 -18.269 -38.191 1.00 0.00 C ATOM 0 H ILE A 698 -6.717 -18.065 -34.375 1.00 0.00 H new ATOM 0 HA ILE A 698 -4.043 -18.590 -35.343 1.00 0.00 H new ATOM 0 HB ILE A 698 -6.054 -16.547 -36.440 1.00 0.00 H new ATOM 0 HG12 ILE A 698 -5.934 -19.502 -37.164 1.00 0.00 H new ATOM 0 HG13 ILE A 698 -7.151 -18.784 -36.127 1.00 0.00 H new ATOM 0 HG21 ILE A 698 -4.943 -16.984 -38.617 1.00 0.00 H new ATOM 0 HG22 ILE A 698 -3.799 -16.376 -37.397 1.00 0.00 H new ATOM 0 HG23 ILE A 698 -3.821 -18.107 -37.812 1.00 0.00 H new ATOM 0 HD11 ILE A 698 -8.011 -19.106 -38.395 1.00 0.00 H new ATOM 0 HD12 ILE A 698 -7.933 -17.372 -38.000 1.00 0.00 H new ATOM 0 HD13 ILE A 698 -6.697 -18.102 -39.053 1.00 0.00 H new ATOM 781 N LYS A 699 -4.914 -15.464 -34.629 1.00 0.00 N ATOM 782 CA LYS A 699 -4.460 -14.066 -34.500 1.00 0.00 C ATOM 783 C LYS A 699 -4.323 -13.607 -33.027 1.00 0.00 C ATOM 784 O LYS A 699 -5.015 -14.140 -32.154 1.00 0.00 O ATOM 785 CB LYS A 699 -5.482 -13.180 -35.264 1.00 0.00 C ATOM 786 CG LYS A 699 -5.457 -13.391 -36.799 1.00 0.00 C ATOM 787 CD LYS A 699 -6.749 -12.926 -37.499 1.00 0.00 C ATOM 788 CE LYS A 699 -7.081 -11.452 -37.235 1.00 0.00 C ATOM 789 NZ LYS A 699 -8.328 -11.020 -37.915 1.00 0.00 N ATOM 0 H LYS A 699 -5.928 -15.544 -34.698 1.00 0.00 H new ATOM 0 HA LYS A 699 -3.460 -13.974 -34.924 1.00 0.00 H new ATOM 0 HB2 LYS A 699 -6.484 -13.393 -34.892 1.00 0.00 H new ATOM 0 HB3 LYS A 699 -5.277 -12.132 -35.046 1.00 0.00 H new ATOM 0 HG2 LYS A 699 -4.609 -12.850 -37.219 1.00 0.00 H new ATOM 0 HG3 LYS A 699 -5.297 -14.448 -37.011 1.00 0.00 H new ATOM 0 HD2 LYS A 699 -6.649 -13.083 -38.573 1.00 0.00 H new ATOM 0 HD3 LYS A 699 -7.580 -13.545 -37.162 1.00 0.00 H new ATOM 0 HE2 LYS A 699 -7.182 -11.292 -36.162 1.00 0.00 H new ATOM 0 HE3 LYS A 699 -6.252 -10.830 -37.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 -8.508 -10.017 -37.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 -8.225 -11.146 -38.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 -9.126 -11.594 -37.574 1.00 0.00 H new ATOM 803 N PRO A 700 -3.410 -12.608 -32.745 1.00 0.00 N ATOM 804 CA PRO A 700 -3.292 -11.941 -31.416 1.00 0.00 C ATOM 805 C PRO A 700 -4.618 -11.298 -30.954 1.00 0.00 C ATOM 806 O PRO A 700 -5.296 -10.616 -31.730 1.00 0.00 O ATOM 807 CB PRO A 700 -2.183 -10.869 -31.647 1.00 0.00 C ATOM 808 CG PRO A 700 -2.123 -10.707 -33.134 1.00 0.00 C ATOM 809 CD PRO A 700 -2.384 -12.080 -33.686 1.00 0.00 C ATOM 0 HA PRO A 700 -3.049 -12.646 -30.621 1.00 0.00 H new ATOM 0 HB2 PRO A 700 -2.431 -9.929 -31.155 1.00 0.00 H new ATOM 0 HB3 PRO A 700 -1.224 -11.196 -31.244 1.00 0.00 H new ATOM 0 HG2 PRO A 700 -2.869 -9.993 -33.484 1.00 0.00 H new ATOM 0 HG3 PRO A 700 -1.150 -10.333 -33.451 1.00 0.00 H new ATOM 0 HD2 PRO A 700 -2.752 -12.043 -34.711 1.00 0.00 H new ATOM 0 HD3 PRO A 700 -1.483 -12.694 -33.693 1.00 0.00 H new ATOM 817 N PHE A 701 -4.952 -11.506 -29.675 1.00 0.00 N ATOM 818 CA PHE A 701 -6.242 -11.116 -29.088 1.00 0.00 C ATOM 819 C PHE A 701 -6.002 -10.267 -27.832 1.00 0.00 C ATOM 820 O PHE A 701 -5.334 -10.711 -26.882 1.00 0.00 O ATOM 821 CB PHE A 701 -7.086 -12.393 -28.791 1.00 0.00 C ATOM 822 CG PHE A 701 -6.308 -13.565 -28.166 1.00 0.00 C ATOM 823 CD1 PHE A 701 -5.614 -14.470 -28.975 1.00 0.00 C ATOM 824 CD2 PHE A 701 -6.265 -13.759 -26.786 1.00 0.00 C ATOM 825 CE1 PHE A 701 -4.914 -15.527 -28.429 1.00 0.00 C ATOM 826 CE2 PHE A 701 -5.561 -14.822 -26.243 1.00 0.00 C ATOM 827 CZ PHE A 701 -4.884 -15.700 -27.062 1.00 0.00 C ATOM 0 H PHE A 701 -4.325 -11.956 -29.008 1.00 0.00 H new ATOM 0 HA PHE A 701 -6.809 -10.504 -29.790 1.00 0.00 H new ATOM 0 HB2 PHE A 701 -7.902 -12.122 -28.121 1.00 0.00 H new ATOM 0 HB3 PHE A 701 -7.538 -12.734 -29.722 1.00 0.00 H new ATOM 0 HD1 PHE A 701 -5.626 -14.340 -30.047 1.00 0.00 H new ATOM 0 HD2 PHE A 701 -6.786 -13.074 -26.133 1.00 0.00 H new ATOM 0 HE1 PHE A 701 -4.390 -16.218 -29.073 1.00 0.00 H new ATOM 0 HE2 PHE A 701 -5.543 -14.963 -25.172 1.00 0.00 H new ATOM 0 HZ PHE A 701 -4.331 -16.522 -26.633 1.00 0.00 H new ATOM 837 N TYR A 702 -6.524 -9.022 -27.839 1.00 0.00 N ATOM 838 CA TYR A 702 -6.278 -8.034 -26.767 1.00 0.00 C ATOM 839 C TYR A 702 -7.583 -7.314 -26.371 1.00 0.00 C ATOM 840 O TYR A 702 -8.495 -7.153 -27.186 1.00 0.00 O ATOM 841 CB TYR A 702 -5.190 -7.001 -27.205 1.00 0.00 C ATOM 842 CG TYR A 702 -3.833 -7.638 -27.564 1.00 0.00 C ATOM 843 CD1 TYR A 702 -3.063 -8.286 -26.590 1.00 0.00 C ATOM 844 CD2 TYR A 702 -3.346 -7.627 -28.873 1.00 0.00 C ATOM 845 CE1 TYR A 702 -1.862 -8.888 -26.910 1.00 0.00 C ATOM 846 CE2 TYR A 702 -2.145 -8.228 -29.193 1.00 0.00 C ATOM 847 CZ TYR A 702 -1.408 -8.856 -28.211 1.00 0.00 C ATOM 848 OH TYR A 702 -0.210 -9.459 -28.534 1.00 0.00 O ATOM 0 H TYR A 702 -7.126 -8.674 -28.585 1.00 0.00 H new ATOM 0 HA TYR A 702 -5.909 -8.571 -25.893 1.00 0.00 H new ATOM 0 HB2 TYR A 702 -5.558 -6.444 -28.066 1.00 0.00 H new ATOM 0 HB3 TYR A 702 -5.041 -6.282 -26.400 1.00 0.00 H new ATOM 0 HD1 TYR A 702 -3.415 -8.315 -25.569 1.00 0.00 H new ATOM 0 HD2 TYR A 702 -3.919 -7.140 -29.648 1.00 0.00 H new ATOM 0 HE1 TYR A 702 -1.281 -9.381 -26.145 1.00 0.00 H new ATOM 0 HE2 TYR A 702 -1.783 -8.206 -30.210 1.00 0.00 H new ATOM 0 HH TYR A 702 -0.035 -9.347 -29.492 1.00 0.00 H new ATOM 858 N CYS A 703 -7.646 -6.906 -25.092 1.00 0.00 N ATOM 859 CA CYS A 703 -8.783 -6.155 -24.512 1.00 0.00 C ATOM 860 C CYS A 703 -8.730 -4.661 -24.948 1.00 0.00 C ATOM 861 O CYS A 703 -7.628 -4.156 -25.226 1.00 0.00 O ATOM 862 CB CYS A 703 -8.725 -6.279 -22.968 1.00 0.00 C ATOM 863 SG CYS A 703 -7.418 -5.301 -22.163 1.00 0.00 S ATOM 0 H CYS A 703 -6.901 -7.089 -24.420 1.00 0.00 H new ATOM 0 HA CYS A 703 -9.722 -6.572 -24.875 1.00 0.00 H new ATOM 0 HB2 CYS A 703 -9.689 -5.976 -22.558 1.00 0.00 H new ATOM 0 HB3 CYS A 703 -8.584 -7.328 -22.708 1.00 0.00 H new ATOM 868 N PRO A 704 -9.900 -3.917 -24.979 1.00 0.00 N ATOM 869 CA PRO A 704 -9.956 -2.503 -25.459 1.00 0.00 C ATOM 870 C PRO A 704 -9.106 -1.546 -24.600 1.00 0.00 C ATOM 871 O PRO A 704 -8.645 -0.518 -25.093 1.00 0.00 O ATOM 872 CB PRO A 704 -11.466 -2.154 -25.377 1.00 0.00 C ATOM 873 CG PRO A 704 -12.003 -3.088 -24.337 1.00 0.00 C ATOM 874 CD PRO A 704 -11.255 -4.376 -24.552 1.00 0.00 C ATOM 0 HA PRO A 704 -9.542 -2.395 -26.462 1.00 0.00 H new ATOM 0 HB2 PRO A 704 -11.619 -1.113 -25.094 1.00 0.00 H new ATOM 0 HB3 PRO A 704 -11.961 -2.300 -26.337 1.00 0.00 H new ATOM 0 HG2 PRO A 704 -11.838 -2.698 -23.333 1.00 0.00 H new ATOM 0 HG3 PRO A 704 -13.078 -3.231 -24.451 1.00 0.00 H new ATOM 0 HD2 PRO A 704 -11.209 -4.972 -23.641 1.00 0.00 H new ATOM 0 HD3 PRO A 704 -11.729 -4.995 -25.314 1.00 0.00 H new ATOM 882 N HIS A 705 -8.901 -1.916 -23.319 1.00 0.00 N ATOM 883 CA HIS A 705 -8.049 -1.153 -22.380 1.00 0.00 C ATOM 884 C HIS A 705 -6.605 -1.057 -22.904 1.00 0.00 C ATOM 885 O HIS A 705 -5.990 -0.007 -22.820 1.00 0.00 O ATOM 886 CB HIS A 705 -8.061 -1.789 -20.968 1.00 0.00 C ATOM 887 CG HIS A 705 -9.363 -1.648 -20.222 1.00 0.00 C ATOM 888 ND1 HIS A 705 -9.455 -1.052 -18.983 1.00 0.00 N ATOM 889 CD2 HIS A 705 -10.615 -2.068 -20.525 1.00 0.00 C ATOM 890 CE1 HIS A 705 -10.700 -1.112 -18.560 1.00 0.00 C ATOM 891 NE2 HIS A 705 -11.422 -1.724 -19.476 1.00 0.00 N ATOM 0 H HIS A 705 -9.320 -2.750 -22.906 1.00 0.00 H new ATOM 0 HA HIS A 705 -8.462 -0.147 -22.306 1.00 0.00 H new ATOM 0 HB2 HIS A 705 -7.824 -2.849 -21.060 1.00 0.00 H new ATOM 0 HB3 HIS A 705 -7.267 -1.336 -20.374 1.00 0.00 H new ATOM 0 HD2 HIS A 705 -10.919 -2.579 -21.427 1.00 0.00 H new ATOM 0 HE1 HIS A 705 -11.067 -0.725 -17.621 1.00 0.00 H new ATOM 0 HE2 HIS A 705 -12.423 -1.911 -19.413 1.00 0.00 H new ATOM 900 N CYS A 706 -6.089 -2.173 -23.463 1.00 0.00 N ATOM 901 CA CYS A 706 -4.735 -2.219 -24.063 1.00 0.00 C ATOM 902 C CYS A 706 -4.667 -1.371 -25.348 1.00 0.00 C ATOM 903 O CYS A 706 -3.666 -0.692 -25.591 1.00 0.00 O ATOM 904 CB CYS A 706 -4.286 -3.674 -24.348 1.00 0.00 C ATOM 905 SG CYS A 706 -3.755 -4.592 -22.861 1.00 0.00 S ATOM 0 H CYS A 706 -6.592 -3.059 -23.512 1.00 0.00 H new ATOM 0 HA CYS A 706 -4.045 -1.793 -23.334 1.00 0.00 H new ATOM 0 HB2 CYS A 706 -5.109 -4.211 -24.820 1.00 0.00 H new ATOM 0 HB3 CYS A 706 -3.464 -3.656 -25.064 1.00 0.00 H new ATOM 910 N LEU A 707 -5.751 -1.401 -26.149 1.00 0.00 N ATOM 911 CA LEU A 707 -5.831 -0.660 -27.430 1.00 0.00 C ATOM 912 C LEU A 707 -5.803 0.870 -27.181 1.00 0.00 C ATOM 913 O LEU A 707 -5.156 1.626 -27.921 1.00 0.00 O ATOM 914 CB LEU A 707 -7.114 -1.086 -28.204 1.00 0.00 C ATOM 915 CG LEU A 707 -7.269 -2.631 -28.449 1.00 0.00 C ATOM 916 CD1 LEU A 707 -8.589 -2.962 -29.181 1.00 0.00 C ATOM 917 CD2 LEU A 707 -6.050 -3.220 -29.207 1.00 0.00 C ATOM 0 H LEU A 707 -6.592 -1.935 -25.931 1.00 0.00 H new ATOM 0 HA LEU A 707 -4.962 -0.907 -28.040 1.00 0.00 H new ATOM 0 HB2 LEU A 707 -7.985 -0.733 -27.652 1.00 0.00 H new ATOM 0 HB3 LEU A 707 -7.121 -0.579 -29.169 1.00 0.00 H new ATOM 0 HG LEU A 707 -7.306 -3.104 -27.468 1.00 0.00 H new ATOM 0 HD11 LEU A 707 -8.661 -4.039 -29.333 1.00 0.00 H new ATOM 0 HD12 LEU A 707 -9.433 -2.623 -28.580 1.00 0.00 H new ATOM 0 HD13 LEU A 707 -8.606 -2.458 -30.147 1.00 0.00 H new ATOM 0 HD21 LEU A 707 -6.197 -4.290 -29.356 1.00 0.00 H new ATOM 0 HD22 LEU A 707 -5.951 -2.729 -30.175 1.00 0.00 H new ATOM 0 HD23 LEU A 707 -5.144 -3.056 -28.623 1.00 0.00 H new ATOM 929 N VAL A 708 -6.477 1.289 -26.095 1.00 0.00 N ATOM 930 CA VAL A 708 -6.559 2.702 -25.662 1.00 0.00 C ATOM 931 C VAL A 708 -5.374 3.062 -24.717 1.00 0.00 C ATOM 932 O VAL A 708 -5.133 4.235 -24.428 1.00 0.00 O ATOM 933 CB VAL A 708 -7.960 2.976 -24.973 1.00 0.00 C ATOM 934 CG1 VAL A 708 -8.124 4.445 -24.511 1.00 0.00 C ATOM 935 CG2 VAL A 708 -9.129 2.576 -25.915 1.00 0.00 C ATOM 0 H VAL A 708 -6.987 0.651 -25.484 1.00 0.00 H new ATOM 0 HA VAL A 708 -6.480 3.346 -26.538 1.00 0.00 H new ATOM 0 HB VAL A 708 -7.991 2.352 -24.079 1.00 0.00 H new ATOM 0 HG11 VAL A 708 -9.102 4.573 -24.047 1.00 0.00 H new ATOM 0 HG12 VAL A 708 -7.345 4.688 -23.789 1.00 0.00 H new ATOM 0 HG13 VAL A 708 -8.041 5.109 -25.372 1.00 0.00 H new ATOM 0 HG21 VAL A 708 -10.080 2.774 -25.419 1.00 0.00 H new ATOM 0 HG22 VAL A 708 -9.071 3.159 -26.834 1.00 0.00 H new ATOM 0 HG23 VAL A 708 -9.058 1.515 -26.153 1.00 0.00 H new ATOM 945 N ALA A 709 -4.622 2.051 -24.247 1.00 0.00 N ATOM 946 CA ALA A 709 -3.396 2.275 -23.449 1.00 0.00 C ATOM 947 C ALA A 709 -2.211 2.619 -24.366 1.00 0.00 C ATOM 948 O ALA A 709 -1.312 3.375 -23.983 1.00 0.00 O ATOM 949 CB ALA A 709 -3.072 1.047 -22.584 1.00 0.00 C ATOM 0 H ALA A 709 -4.840 1.067 -24.405 1.00 0.00 H new ATOM 0 HA ALA A 709 -3.574 3.120 -22.783 1.00 0.00 H new ATOM 0 HB1 ALA A 709 -2.167 1.237 -22.007 1.00 0.00 H new ATOM 0 HB2 ALA A 709 -3.901 0.852 -21.904 1.00 0.00 H new ATOM 0 HB3 ALA A 709 -2.918 0.180 -23.226 1.00 0.00 H new ATOM 955 N MET A 710 -2.215 2.037 -25.581 1.00 0.00 N ATOM 956 CA MET A 710 -1.171 2.283 -26.595 1.00 0.00 C ATOM 957 C MET A 710 -1.512 3.547 -27.401 1.00 0.00 C ATOM 958 O MET A 710 -0.672 4.446 -27.529 1.00 0.00 O ATOM 959 CB MET A 710 -1.029 1.047 -27.527 1.00 0.00 C ATOM 960 CG MET A 710 -0.561 -0.235 -26.803 1.00 0.00 C ATOM 961 SD MET A 710 -0.567 -1.706 -27.856 1.00 0.00 S ATOM 962 CE MET A 710 -2.289 -1.794 -28.355 1.00 0.00 C ATOM 0 H MET A 710 -2.938 1.386 -25.886 1.00 0.00 H new ATOM 0 HA MET A 710 -0.215 2.442 -26.096 1.00 0.00 H new ATOM 0 HB2 MET A 710 -1.989 0.852 -28.004 1.00 0.00 H new ATOM 0 HB3 MET A 710 -0.320 1.283 -28.321 1.00 0.00 H new ATOM 0 HG2 MET A 710 0.447 -0.078 -26.419 1.00 0.00 H new ATOM 0 HG3 MET A 710 -1.206 -0.412 -25.942 1.00 0.00 H new ATOM 0 HE1 MET A 710 -2.458 -2.711 -28.919 1.00 0.00 H new ATOM 0 HE2 MET A 710 -2.925 -1.790 -27.470 1.00 0.00 H new ATOM 0 HE3 MET A 710 -2.531 -0.934 -28.980 1.00 0.00 H new ATOM 972 N GLU A 711 -2.768 3.592 -27.929 1.00 0.00 N ATOM 973 CA GLU A 711 -3.311 4.724 -28.732 1.00 0.00 C ATOM 974 C GLU A 711 -2.597 4.859 -30.114 1.00 0.00 C ATOM 975 O GLU A 711 -1.560 4.217 -30.345 1.00 0.00 O ATOM 976 CB GLU A 711 -3.241 6.065 -27.926 1.00 0.00 C ATOM 977 CG GLU A 711 -4.108 6.080 -26.660 1.00 0.00 C ATOM 978 CD GLU A 711 -4.005 7.391 -25.866 1.00 0.00 C ATOM 979 OE1 GLU A 711 -4.777 8.339 -26.150 1.00 0.00 O ATOM 980 OE2 GLU A 711 -3.141 7.489 -24.968 1.00 0.00 O ATOM 0 H GLU A 711 -3.439 2.834 -27.807 1.00 0.00 H new ATOM 0 HA GLU A 711 -4.359 4.503 -28.936 1.00 0.00 H new ATOM 0 HB2 GLU A 711 -2.205 6.255 -27.646 1.00 0.00 H new ATOM 0 HB3 GLU A 711 -3.551 6.884 -28.576 1.00 0.00 H new ATOM 0 HG2 GLU A 711 -5.148 5.914 -26.939 1.00 0.00 H new ATOM 0 HG3 GLU A 711 -3.814 5.250 -26.017 1.00 0.00 H new ATOM 987 N PRO A 712 -3.170 5.654 -31.083 1.00 0.00 N ATOM 988 CA PRO A 712 -2.431 6.065 -32.302 1.00 0.00 C ATOM 989 C PRO A 712 -1.204 6.949 -31.964 1.00 0.00 C ATOM 990 O PRO A 712 -1.318 8.164 -31.766 1.00 0.00 O ATOM 991 CB PRO A 712 -3.486 6.831 -33.137 1.00 0.00 C ATOM 992 CG PRO A 712 -4.529 7.248 -32.140 1.00 0.00 C ATOM 993 CD PRO A 712 -4.584 6.134 -31.125 1.00 0.00 C ATOM 0 HA PRO A 712 -2.013 5.215 -32.842 1.00 0.00 H new ATOM 0 HB2 PRO A 712 -3.046 7.695 -33.635 1.00 0.00 H new ATOM 0 HB3 PRO A 712 -3.912 6.197 -33.915 1.00 0.00 H new ATOM 0 HG2 PRO A 712 -4.266 8.195 -31.669 1.00 0.00 H new ATOM 0 HG3 PRO A 712 -5.497 7.389 -32.621 1.00 0.00 H new ATOM 0 HD2 PRO A 712 -4.919 6.491 -30.151 1.00 0.00 H new ATOM 0 HD3 PRO A 712 -5.271 5.344 -31.429 1.00 0.00 H new ATOM 1001 N VAL A 713 -0.051 6.289 -31.862 1.00 0.00 N ATOM 1002 CA VAL A 713 1.244 6.926 -31.535 1.00 0.00 C ATOM 1003 C VAL A 713 1.894 7.523 -32.801 1.00 0.00 C ATOM 1004 O VAL A 713 2.720 8.439 -32.723 1.00 0.00 O ATOM 1005 CB VAL A 713 2.231 5.899 -30.850 1.00 0.00 C ATOM 1006 CG1 VAL A 713 1.634 5.345 -29.536 1.00 0.00 C ATOM 1007 CG2 VAL A 713 2.617 4.738 -31.810 1.00 0.00 C ATOM 0 H VAL A 713 0.021 5.282 -32.005 1.00 0.00 H new ATOM 0 HA VAL A 713 1.046 7.732 -30.828 1.00 0.00 H new ATOM 0 HB VAL A 713 3.144 6.444 -30.610 1.00 0.00 H new ATOM 0 HG11 VAL A 713 2.334 4.641 -29.087 1.00 0.00 H new ATOM 0 HG12 VAL A 713 1.452 6.167 -28.844 1.00 0.00 H new ATOM 0 HG13 VAL A 713 0.694 4.835 -29.750 1.00 0.00 H new ATOM 0 HG21 VAL A 713 3.296 4.055 -31.300 1.00 0.00 H new ATOM 0 HG22 VAL A 713 1.718 4.199 -32.110 1.00 0.00 H new ATOM 0 HG23 VAL A 713 3.108 5.145 -32.694 1.00 0.00 H new ATOM 1017 N SER A 714 1.507 6.982 -33.961 1.00 0.00 N ATOM 1018 CA SER A 714 2.027 7.389 -35.271 1.00 0.00 C ATOM 1019 C SER A 714 0.858 7.900 -36.122 1.00 0.00 C ATOM 1020 O SER A 714 -0.081 7.152 -36.405 1.00 0.00 O ATOM 1021 CB SER A 714 2.729 6.178 -35.941 1.00 0.00 C ATOM 1022 OG SER A 714 3.329 6.529 -37.179 1.00 0.00 O ATOM 0 H SER A 714 0.813 6.237 -34.017 1.00 0.00 H new ATOM 0 HA SER A 714 2.760 8.189 -35.168 1.00 0.00 H new ATOM 0 HB2 SER A 714 3.490 5.783 -35.268 1.00 0.00 H new ATOM 0 HB3 SER A 714 2.002 5.382 -36.103 1.00 0.00 H new ATOM 0 HG SER A 714 3.762 5.740 -37.568 1.00 0.00 H new ATOM 1028 N THR A 715 0.908 9.184 -36.507 1.00 0.00 N ATOM 1029 CA THR A 715 -0.146 9.841 -37.301 1.00 0.00 C ATOM 1030 C THR A 715 0.493 10.624 -38.471 1.00 0.00 C ATOM 1031 O THR A 715 1.725 10.743 -38.548 1.00 0.00 O ATOM 1032 CB THR A 715 -1.028 10.777 -36.398 1.00 0.00 C ATOM 1033 OG1 THR A 715 -2.132 11.318 -37.153 1.00 0.00 O ATOM 1034 CG2 THR A 715 -0.214 11.931 -35.781 1.00 0.00 C ATOM 0 H THR A 715 1.686 9.802 -36.275 1.00 0.00 H new ATOM 0 HA THR A 715 -0.805 9.078 -37.715 1.00 0.00 H new ATOM 0 HB THR A 715 -1.407 10.160 -35.583 1.00 0.00 H new ATOM 0 HG1 THR A 715 -2.671 11.897 -36.575 1.00 0.00 H new ATOM 0 HG21 THR A 715 -0.868 12.549 -35.166 1.00 0.00 H new ATOM 0 HG22 THR A 715 0.586 11.522 -35.163 1.00 0.00 H new ATOM 0 HG23 THR A 715 0.217 12.539 -36.577 1.00 0.00 H new ATOM 1042 N ARG A 716 -0.353 11.141 -39.379 1.00 0.00 N ATOM 1043 CA ARG A 716 0.086 11.825 -40.610 1.00 0.00 C ATOM 1044 C ARG A 716 0.643 13.236 -40.291 1.00 0.00 C ATOM 1045 O ARG A 716 1.882 13.416 -40.288 1.00 0.00 O ATOM 1046 CB ARG A 716 -1.098 11.878 -41.626 1.00 0.00 C ATOM 1047 CG ARG A 716 -1.499 10.488 -42.167 1.00 0.00 C ATOM 1048 CD ARG A 716 -0.390 9.854 -43.031 1.00 0.00 C ATOM 1049 NE ARG A 716 -0.698 8.459 -43.413 1.00 0.00 N ATOM 1050 CZ ARG A 716 0.122 7.640 -44.093 1.00 0.00 C ATOM 1051 NH1 ARG A 716 1.292 8.071 -44.565 1.00 0.00 N ATOM 1052 NH2 ARG A 716 -0.248 6.389 -44.329 1.00 0.00 N ATOM 1053 OXT ARG A 716 -0.154 14.157 -40.016 1.00 0.00 O ATOM 0 H ARG A 716 -1.367 11.096 -39.280 1.00 0.00 H new ATOM 0 HA ARG A 716 0.901 11.263 -41.066 1.00 0.00 H new ATOM 0 HB2 ARG A 716 -1.962 12.336 -41.144 1.00 0.00 H new ATOM 0 HB3 ARG A 716 -0.822 12.520 -42.462 1.00 0.00 H new ATOM 0 HG2 ARG A 716 -1.727 9.827 -41.331 1.00 0.00 H new ATOM 0 HG3 ARG A 716 -2.410 10.580 -42.759 1.00 0.00 H new ATOM 0 HD2 ARG A 716 -0.249 10.451 -43.932 1.00 0.00 H new ATOM 0 HD3 ARG A 716 0.552 9.878 -42.483 1.00 0.00 H new ATOM 0 HE ARG A 716 -1.607 8.088 -43.138 1.00 0.00 H new ATOM 0 HH11 ARG A 716 1.579 9.038 -44.412 1.00 0.00 H new ATOM 0 HH12 ARG A 716 1.901 7.434 -45.079 1.00 0.00 H new ATOM 0 HH21 ARG A 716 -1.151 6.053 -43.995 1.00 0.00 H new ATOM 0 HH22 ARG A 716 0.370 5.763 -44.845 1.00 0.00 H new TER 1067 ARG A 716 HETATM 1068 ZN ZN A 801 -17.758 -10.999 -21.112 1.00 0.00 ZN HETATM 1069 ZN ZN A 802 -5.251 -6.197 -22.092 1.00 0.00 ZN