USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 GLN : amide:sc= 1.27 K(o=3,f=0.12) USER MOD Set 1.2: A 29 GLN : amide:sc= 1.73 K(o=3,f=0.12) USER MOD Set 2.1: A 10 THR OG1 : rot 88:sc= 1.02 USER MOD Set 2.2: A 79 SER OG : rot -152:sc= 2.3 USER MOD Set 3.1: A 1 GLY N :NH3+ -165:sc= 0.729 (180deg=0) USER MOD Set 3.2: A 3 THR OG1 : rot 58:sc= 0.904 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= 0.986 K(o=0.99,f=-3.6!) USER MOD Single : A 20 SER OG : rot -70:sc= 1.75 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 69:sc= 0.709 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 33 THR OG1 : rot 99:sc= 0.336 USER MOD Single : A 35 HIS : no HE2:sc= 1.04 K(o=1,f=-3.7!) USER MOD Single : A 37 SER OG : rot -77:sc= 1.53 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 1.05 K(o=1,f=-0.014) USER MOD Single : A 50 GLN : amide:sc= 0.186 K(o=0.19,f=-0.48) USER MOD Single : A 51 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0037 USER MOD Single : A 55 HIS : no HE2:sc= 0.0443 K(o=0.044,f=-2.7!) USER MOD Single : A 57 GLN : amide:sc= 0.78 K(o=0.78,f=-6.7!) USER MOD Single : A 61 THR OG1 : rot 50:sc= 0.258 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HE2:sc= 0.303 K(o=0.3,f=-2.7!) USER MOD Single : A 73 HIS : no HE2:sc= -0.0255 K(o=-0.025,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.712 -14.072 -7.607 1.00 10.00 N ATOM 2 CA GLY A 1 25.775 -14.787 -8.874 1.00 10.00 C ATOM 3 C GLY A 1 24.364 -15.155 -9.318 1.00 10.00 C ATOM 4 O GLY A 1 23.908 -14.748 -10.382 1.00 10.00 O ATOM 0 H1 GLY A 1 26.623 -13.603 -7.428 1.00 10.00 H new ATOM 0 H2 GLY A 1 24.957 -13.358 -7.648 1.00 10.00 H new ATOM 0 H3 GLY A 1 25.512 -14.744 -6.839 1.00 10.00 H new ATOM 0 HA2 GLY A 1 26.256 -14.167 -9.631 1.00 10.00 H new ATOM 0 HA3 GLY A 1 26.381 -15.687 -8.767 1.00 10.00 H new ATOM 8 N VAL A 2 23.649 -15.880 -8.452 1.00 10.00 N ATOM 9 CA VAL A 2 22.243 -16.210 -8.670 1.00 10.00 C ATOM 10 C VAL A 2 21.412 -14.918 -8.687 1.00 10.00 C ATOM 11 O VAL A 2 20.327 -14.864 -9.263 1.00 10.00 O ATOM 12 CB VAL A 2 21.744 -17.207 -7.609 1.00 10.00 C ATOM 13 CG1 VAL A 2 22.522 -18.527 -7.702 1.00 10.00 C ATOM 14 CG2 VAL A 2 21.831 -16.657 -6.177 1.00 10.00 C ATOM 0 H VAL A 2 24.031 -16.253 -7.583 1.00 10.00 H new ATOM 0 HA VAL A 2 22.129 -16.700 -9.637 1.00 10.00 H new ATOM 0 HB VAL A 2 20.690 -17.380 -7.825 1.00 10.00 H new ATOM 0 HG11 VAL A 2 22.155 -19.220 -6.944 1.00 10.00 H new ATOM 0 HG12 VAL A 2 22.381 -18.963 -8.691 1.00 10.00 H new ATOM 0 HG13 VAL A 2 23.582 -18.337 -7.537 1.00 10.00 H new ATOM 0 HG21 VAL A 2 21.465 -17.407 -5.476 1.00 10.00 H new ATOM 0 HG22 VAL A 2 22.868 -16.417 -5.942 1.00 10.00 H new ATOM 0 HG23 VAL A 2 21.222 -15.756 -6.096 1.00 10.00 H new ATOM 24 N THR A 3 21.948 -13.861 -8.074 1.00 10.00 N ATOM 25 CA THR A 3 21.406 -12.523 -8.015 1.00 10.00 C ATOM 26 C THR A 3 21.526 -11.882 -9.403 1.00 10.00 C ATOM 27 O THR A 3 22.336 -10.973 -9.588 1.00 10.00 O ATOM 28 CB THR A 3 22.267 -11.775 -6.986 1.00 10.00 C ATOM 29 OG1 THR A 3 23.629 -11.993 -7.321 1.00 10.00 O ATOM 30 CG2 THR A 3 22.021 -12.292 -5.565 1.00 10.00 C ATOM 0 H THR A 3 22.834 -13.934 -7.574 1.00 10.00 H new ATOM 0 HA THR A 3 20.354 -12.501 -7.729 1.00 10.00 H new ATOM 0 HB THR A 3 22.009 -10.716 -7.009 1.00 10.00 H new ATOM 0 HG1 THR A 3 23.796 -11.678 -8.234 1.00 10.00 H new ATOM 0 HG21 THR A 3 22.647 -11.740 -4.864 1.00 10.00 H new ATOM 0 HG22 THR A 3 20.972 -12.152 -5.303 1.00 10.00 H new ATOM 0 HG23 THR A 3 22.269 -13.352 -5.516 1.00 10.00 H new ATOM 38 N LYS A 4 20.752 -12.374 -10.372 1.00 10.00 N ATOM 39 CA LYS A 4 20.750 -11.895 -11.748 1.00 10.00 C ATOM 40 C LYS A 4 19.306 -11.769 -12.245 1.00 10.00 C ATOM 41 O LYS A 4 18.404 -11.505 -11.451 1.00 10.00 O ATOM 42 CB LYS A 4 21.661 -12.791 -12.610 1.00 10.00 C ATOM 43 CG LYS A 4 21.213 -14.260 -12.675 1.00 10.00 C ATOM 44 CD LYS A 4 22.220 -15.136 -13.432 1.00 10.00 C ATOM 45 CE LYS A 4 22.314 -14.782 -14.922 1.00 10.00 C ATOM 46 NZ LYS A 4 23.188 -15.727 -15.639 1.00 10.00 N ATOM 0 H LYS A 4 20.093 -13.136 -10.213 1.00 10.00 H new ATOM 0 HA LYS A 4 21.173 -10.893 -11.822 1.00 10.00 H new ATOM 0 HB2 LYS A 4 21.697 -12.388 -13.622 1.00 10.00 H new ATOM 0 HB3 LYS A 4 22.675 -12.748 -12.213 1.00 10.00 H new ATOM 0 HG2 LYS A 4 21.086 -14.645 -11.663 1.00 10.00 H new ATOM 0 HG3 LYS A 4 20.241 -14.321 -13.164 1.00 10.00 H new ATOM 0 HD2 LYS A 4 23.204 -15.029 -12.975 1.00 10.00 H new ATOM 0 HD3 LYS A 4 21.933 -16.183 -13.329 1.00 10.00 H new ATOM 0 HE2 LYS A 4 21.318 -14.795 -15.365 1.00 10.00 H new ATOM 0 HE3 LYS A 4 22.700 -13.769 -15.034 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 23.233 -15.464 -16.644 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 24.143 -15.695 -15.229 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 22.805 -16.690 -15.550 1.00 10.00 H new ATOM 60 N GLU A 5 19.067 -11.953 -13.547 1.00 10.00 N ATOM 61 CA GLU A 5 17.753 -11.838 -14.166 1.00 10.00 C ATOM 62 C GLU A 5 16.847 -13.028 -13.817 1.00 10.00 C ATOM 63 O GLU A 5 16.365 -13.727 -14.708 1.00 10.00 O ATOM 64 CB GLU A 5 17.933 -11.708 -15.686 1.00 10.00 C ATOM 65 CG GLU A 5 18.744 -10.464 -16.071 1.00 10.00 C ATOM 66 CD GLU A 5 18.841 -10.326 -17.587 1.00 10.00 C ATOM 67 OE1 GLU A 5 17.893 -9.748 -18.163 1.00 10.00 O ATOM 68 OE2 GLU A 5 19.846 -10.822 -18.140 1.00 10.00 O ATOM 0 H GLU A 5 19.803 -12.192 -14.212 1.00 10.00 H new ATOM 0 HA GLU A 5 17.257 -10.949 -13.776 1.00 10.00 H new ATOM 0 HB2 GLU A 5 18.433 -12.598 -16.068 1.00 10.00 H new ATOM 0 HB3 GLU A 5 16.954 -11.663 -16.163 1.00 10.00 H new ATOM 0 HG2 GLU A 5 18.275 -9.575 -15.650 1.00 10.00 H new ATOM 0 HG3 GLU A 5 19.744 -10.530 -15.643 1.00 10.00 H new ATOM 75 N ILE A 6 16.588 -13.259 -12.529 1.00 10.00 N ATOM 76 CA ILE A 6 15.742 -14.352 -12.062 1.00 10.00 C ATOM 77 C ILE A 6 14.257 -14.019 -12.248 1.00 10.00 C ATOM 78 O ILE A 6 13.475 -14.029 -11.298 1.00 10.00 O ATOM 79 CB ILE A 6 16.115 -14.759 -10.621 1.00 10.00 C ATOM 80 CG1 ILE A 6 16.113 -13.576 -9.633 1.00 10.00 C ATOM 81 CG2 ILE A 6 17.487 -15.445 -10.645 1.00 10.00 C ATOM 82 CD1 ILE A 6 16.156 -14.040 -8.173 1.00 10.00 C ATOM 0 H ILE A 6 16.965 -12.685 -11.775 1.00 10.00 H new ATOM 0 HA ILE A 6 15.926 -15.232 -12.679 1.00 10.00 H new ATOM 0 HB ILE A 6 15.350 -15.445 -10.259 1.00 10.00 H new ATOM 0 HG12 ILE A 6 16.972 -12.936 -9.834 1.00 10.00 H new ATOM 0 HG13 ILE A 6 15.220 -12.972 -9.794 1.00 10.00 H new ATOM 0 HG21 ILE A 6 17.765 -15.739 -9.633 1.00 10.00 H new ATOM 0 HG22 ILE A 6 17.440 -16.330 -11.280 1.00 10.00 H new ATOM 0 HG23 ILE A 6 18.232 -14.754 -11.040 1.00 10.00 H new ATOM 0 HD11 ILE A 6 16.153 -13.171 -7.515 1.00 10.00 H new ATOM 0 HD12 ILE A 6 15.283 -14.658 -7.962 1.00 10.00 H new ATOM 0 HD13 ILE A 6 17.062 -14.621 -8.002 1.00 10.00 H new ATOM 94 N ARG A 7 13.848 -13.764 -13.494 1.00 10.00 N ATOM 95 CA ARG A 7 12.460 -13.491 -13.844 1.00 10.00 C ATOM 96 C ARG A 7 11.682 -14.812 -13.881 1.00 10.00 C ATOM 97 O ARG A 7 11.203 -15.239 -14.928 1.00 10.00 O ATOM 98 CB ARG A 7 12.385 -12.732 -15.176 1.00 10.00 C ATOM 99 CG ARG A 7 12.916 -11.299 -15.029 1.00 10.00 C ATOM 100 CD ARG A 7 12.684 -10.499 -16.316 1.00 10.00 C ATOM 101 NE ARG A 7 13.531 -10.984 -17.414 1.00 10.00 N ATOM 102 CZ ARG A 7 14.769 -10.549 -17.691 1.00 10.00 C ATOM 103 NH1 ARG A 7 15.356 -9.611 -16.941 1.00 10.00 N ATOM 104 NH2 ARG A 7 15.439 -11.058 -18.727 1.00 10.00 N ATOM 0 H ARG A 7 14.481 -13.742 -14.293 1.00 10.00 H new ATOM 0 HA ARG A 7 12.002 -12.850 -13.091 1.00 10.00 H new ATOM 0 HB2 ARG A 7 12.964 -13.261 -15.932 1.00 10.00 H new ATOM 0 HB3 ARG A 7 11.353 -12.706 -15.525 1.00 10.00 H new ATOM 0 HG2 ARG A 7 12.419 -10.806 -14.194 1.00 10.00 H new ATOM 0 HG3 ARG A 7 13.981 -11.323 -14.797 1.00 10.00 H new ATOM 0 HD2 ARG A 7 11.636 -10.570 -16.606 1.00 10.00 H new ATOM 0 HD3 ARG A 7 12.893 -9.445 -16.133 1.00 10.00 H new ATOM 0 HE ARG A 7 13.146 -11.712 -18.016 1.00 10.00 H new ATOM 0 HH11 ARG A 7 14.862 -9.213 -16.142 1.00 10.00 H new ATOM 0 HH12 ARG A 7 16.298 -9.293 -17.167 1.00 10.00 H new ATOM 0 HH21 ARG A 7 15.009 -11.778 -19.308 1.00 10.00 H new ATOM 0 HH22 ARG A 7 16.381 -10.727 -18.938 1.00 10.00 H new ATOM 118 N ILE A 8 11.567 -15.451 -12.716 1.00 10.00 N ATOM 119 CA ILE A 8 10.868 -16.707 -12.489 1.00 10.00 C ATOM 120 C ILE A 8 10.007 -16.531 -11.233 1.00 10.00 C ATOM 121 O ILE A 8 10.329 -15.686 -10.395 1.00 10.00 O ATOM 122 CB ILE A 8 11.882 -17.861 -12.349 1.00 10.00 C ATOM 123 CG1 ILE A 8 13.033 -17.496 -11.397 1.00 10.00 C ATOM 124 CG2 ILE A 8 12.427 -18.247 -13.732 1.00 10.00 C ATOM 125 CD1 ILE A 8 13.830 -18.719 -10.934 1.00 10.00 C ATOM 0 H ILE A 8 11.984 -15.082 -11.861 1.00 10.00 H new ATOM 0 HA ILE A 8 10.225 -16.964 -13.331 1.00 10.00 H new ATOM 0 HB ILE A 8 11.363 -18.716 -11.916 1.00 10.00 H new ATOM 0 HG12 ILE A 8 13.705 -16.798 -11.897 1.00 10.00 H new ATOM 0 HG13 ILE A 8 12.629 -16.980 -10.526 1.00 10.00 H new ATOM 0 HG21 ILE A 8 13.143 -19.062 -13.626 1.00 10.00 H new ATOM 0 HG22 ILE A 8 11.604 -18.567 -14.371 1.00 10.00 H new ATOM 0 HG23 ILE A 8 12.922 -17.386 -14.181 1.00 10.00 H new ATOM 0 HD11 ILE A 8 14.629 -18.400 -10.265 1.00 10.00 H new ATOM 0 HD12 ILE A 8 13.168 -19.407 -10.408 1.00 10.00 H new ATOM 0 HD13 ILE A 8 14.261 -19.222 -11.800 1.00 10.00 H new ATOM 137 N PRO A 9 8.908 -17.286 -11.081 1.00 10.00 N ATOM 138 CA PRO A 9 8.026 -17.170 -9.932 1.00 10.00 C ATOM 139 C PRO A 9 8.676 -17.780 -8.682 1.00 10.00 C ATOM 140 O PRO A 9 8.313 -18.876 -8.260 1.00 10.00 O ATOM 141 CB PRO A 9 6.737 -17.886 -10.347 1.00 10.00 C ATOM 142 CG PRO A 9 7.249 -18.971 -11.294 1.00 10.00 C ATOM 143 CD PRO A 9 8.404 -18.279 -12.016 1.00 10.00 C ATOM 0 HA PRO A 9 7.819 -16.135 -9.661 1.00 10.00 H new ATOM 0 HB2 PRO A 9 6.215 -18.310 -9.489 1.00 10.00 H new ATOM 0 HB3 PRO A 9 6.040 -17.211 -10.843 1.00 10.00 H new ATOM 0 HG2 PRO A 9 7.584 -19.855 -10.752 1.00 10.00 H new ATOM 0 HG3 PRO A 9 6.476 -19.298 -11.989 1.00 10.00 H new ATOM 0 HD2 PRO A 9 9.182 -18.993 -12.287 1.00 10.00 H new ATOM 0 HD3 PRO A 9 8.065 -17.811 -12.940 1.00 10.00 H new ATOM 151 N THR A 10 9.647 -17.078 -8.088 1.00 10.00 N ATOM 152 CA THR A 10 10.369 -17.539 -6.905 1.00 10.00 C ATOM 153 C THR A 10 9.480 -17.445 -5.656 1.00 10.00 C ATOM 154 O THR A 10 9.740 -16.658 -4.745 1.00 10.00 O ATOM 155 CB THR A 10 11.676 -16.744 -6.747 1.00 10.00 C ATOM 156 OG1 THR A 10 12.268 -16.507 -8.008 1.00 10.00 O ATOM 157 CG2 THR A 10 12.689 -17.491 -5.878 1.00 10.00 C ATOM 0 H THR A 10 9.954 -16.164 -8.421 1.00 10.00 H new ATOM 0 HA THR A 10 10.631 -18.590 -7.030 1.00 10.00 H new ATOM 0 HB THR A 10 11.415 -15.801 -6.266 1.00 10.00 H new ATOM 0 HG1 THR A 10 11.903 -15.682 -8.391 1.00 10.00 H new ATOM 0 HG21 THR A 10 13.599 -16.898 -5.789 1.00 10.00 H new ATOM 0 HG22 THR A 10 12.266 -17.657 -4.887 1.00 10.00 H new ATOM 0 HG23 THR A 10 12.924 -18.451 -6.337 1.00 10.00 H new ATOM 165 N LEU A 11 8.411 -18.239 -5.610 1.00 10.00 N ATOM 166 CA LEU A 11 7.496 -18.250 -4.483 1.00 10.00 C ATOM 167 C LEU A 11 8.182 -18.835 -3.253 1.00 10.00 C ATOM 168 O LEU A 11 8.618 -19.983 -3.278 1.00 10.00 O ATOM 169 CB LEU A 11 6.219 -19.027 -4.817 1.00 10.00 C ATOM 170 CG LEU A 11 5.312 -18.299 -5.821 1.00 10.00 C ATOM 171 CD1 LEU A 11 4.062 -19.154 -6.045 1.00 10.00 C ATOM 172 CD2 LEU A 11 4.885 -16.914 -5.313 1.00 10.00 C ATOM 0 H LEU A 11 8.160 -18.890 -6.355 1.00 10.00 H new ATOM 0 HA LEU A 11 7.209 -17.221 -4.264 1.00 10.00 H new ATOM 0 HB2 LEU A 11 6.490 -20.002 -5.223 1.00 10.00 H new ATOM 0 HB3 LEU A 11 5.661 -19.208 -3.898 1.00 10.00 H new ATOM 0 HG LEU A 11 5.869 -18.155 -6.747 1.00 10.00 H new ATOM 0 HD11 LEU A 11 3.403 -18.655 -6.756 1.00 10.00 H new ATOM 0 HD12 LEU A 11 4.353 -20.127 -6.441 1.00 10.00 H new ATOM 0 HD13 LEU A 11 3.539 -19.289 -5.098 1.00 10.00 H new ATOM 0 HD21 LEU A 11 4.245 -16.436 -6.055 1.00 10.00 H new ATOM 0 HD22 LEU A 11 4.337 -17.023 -4.377 1.00 10.00 H new ATOM 0 HD23 LEU A 11 5.769 -16.299 -5.146 1.00 10.00 H new ATOM 184 N GLU A 12 8.254 -18.045 -2.180 1.00 10.00 N ATOM 185 CA GLU A 12 8.837 -18.445 -0.909 1.00 10.00 C ATOM 186 C GLU A 12 7.863 -18.128 0.221 1.00 10.00 C ATOM 187 O GLU A 12 7.065 -17.195 0.125 1.00 10.00 O ATOM 188 CB GLU A 12 10.176 -17.745 -0.685 1.00 10.00 C ATOM 189 CG GLU A 12 11.234 -18.211 -1.695 1.00 10.00 C ATOM 190 CD GLU A 12 12.622 -17.668 -1.370 1.00 10.00 C ATOM 191 OE1 GLU A 12 12.965 -17.648 -0.165 1.00 10.00 O ATOM 192 OE2 GLU A 12 13.319 -17.275 -2.328 1.00 10.00 O ATOM 0 H GLU A 12 7.899 -17.089 -2.176 1.00 10.00 H new ATOM 0 HA GLU A 12 9.023 -19.519 -0.925 1.00 10.00 H new ATOM 0 HB2 GLU A 12 10.042 -16.667 -0.769 1.00 10.00 H new ATOM 0 HB3 GLU A 12 10.526 -17.944 0.328 1.00 10.00 H new ATOM 0 HG2 GLU A 12 11.266 -19.300 -1.708 1.00 10.00 H new ATOM 0 HG3 GLU A 12 10.945 -17.889 -2.695 1.00 10.00 H new ATOM 199 N GLU A 13 7.935 -18.930 1.283 1.00 10.00 N ATOM 200 CA GLU A 13 7.096 -18.851 2.466 1.00 10.00 C ATOM 201 C GLU A 13 7.124 -17.464 3.109 1.00 10.00 C ATOM 202 O GLU A 13 8.194 -16.920 3.378 1.00 10.00 O ATOM 203 CB GLU A 13 7.534 -19.934 3.474 1.00 10.00 C ATOM 204 CG GLU A 13 8.864 -19.674 4.212 1.00 10.00 C ATOM 205 CD GLU A 13 10.043 -19.393 3.276 1.00 10.00 C ATOM 206 OE1 GLU A 13 10.197 -20.179 2.315 1.00 10.00 O ATOM 207 OE2 GLU A 13 10.750 -18.388 3.512 1.00 10.00 O ATOM 0 H GLU A 13 8.615 -19.688 1.339 1.00 10.00 H new ATOM 0 HA GLU A 13 6.064 -19.028 2.162 1.00 10.00 H new ATOM 0 HB2 GLU A 13 6.746 -20.050 4.218 1.00 10.00 H new ATOM 0 HB3 GLU A 13 7.615 -20.883 2.945 1.00 10.00 H new ATOM 0 HG2 GLU A 13 8.736 -18.826 4.885 1.00 10.00 H new ATOM 0 HG3 GLU A 13 9.101 -20.539 4.831 1.00 10.00 H new ATOM 214 N CYS A 14 5.959 -16.901 3.420 1.00 10.00 N ATOM 215 CA CYS A 14 5.913 -15.656 4.161 1.00 10.00 C ATOM 216 C CYS A 14 6.204 -16.016 5.618 1.00 10.00 C ATOM 217 O CYS A 14 5.331 -16.520 6.329 1.00 10.00 O ATOM 218 CB CYS A 14 4.550 -14.995 4.002 1.00 10.00 C ATOM 219 SG CYS A 14 4.343 -13.496 5.003 1.00 10.00 S ATOM 0 H CYS A 14 5.048 -17.286 3.171 1.00 10.00 H new ATOM 0 HA CYS A 14 6.645 -14.937 3.794 1.00 10.00 H new ATOM 0 HB2 CYS A 14 4.399 -14.744 2.952 1.00 10.00 H new ATOM 0 HB3 CYS A 14 3.775 -15.712 4.273 1.00 10.00 H new ATOM 224 N ASP A 15 7.445 -15.777 6.051 1.00 10.00 N ATOM 225 CA ASP A 15 7.940 -16.067 7.392 1.00 10.00 C ATOM 226 C ASP A 15 6.989 -15.540 8.467 1.00 10.00 C ATOM 227 O ASP A 15 6.709 -16.234 9.442 1.00 10.00 O ATOM 228 CB ASP A 15 9.356 -15.497 7.567 1.00 10.00 C ATOM 229 CG ASP A 15 9.384 -13.969 7.568 1.00 10.00 C ATOM 230 OD1 ASP A 15 8.957 -13.394 6.542 1.00 10.00 O ATOM 231 OD2 ASP A 15 9.797 -13.404 8.602 1.00 10.00 O ATOM 0 H ASP A 15 8.157 -15.360 5.451 1.00 10.00 H new ATOM 0 HA ASP A 15 7.987 -17.149 7.513 1.00 10.00 H new ATOM 0 HB2 ASP A 15 9.777 -15.864 8.503 1.00 10.00 H new ATOM 0 HB3 ASP A 15 9.993 -15.867 6.764 1.00 10.00 H new ATOM 236 N VAL A 16 6.468 -14.329 8.262 1.00 10.00 N ATOM 237 CA VAL A 16 5.531 -13.657 9.155 1.00 10.00 C ATOM 238 C VAL A 16 4.323 -14.544 9.490 1.00 10.00 C ATOM 239 O VAL A 16 3.828 -14.482 10.613 1.00 10.00 O ATOM 240 CB VAL A 16 5.147 -12.298 8.542 1.00 10.00 C ATOM 241 CG1 VAL A 16 4.197 -11.522 9.450 1.00 10.00 C ATOM 242 CG2 VAL A 16 6.389 -11.424 8.312 1.00 10.00 C ATOM 0 H VAL A 16 6.697 -13.772 7.439 1.00 10.00 H new ATOM 0 HA VAL A 16 6.009 -13.468 10.116 1.00 10.00 H new ATOM 0 HB VAL A 16 4.657 -12.517 7.593 1.00 10.00 H new ATOM 0 HG11 VAL A 16 3.948 -10.568 8.985 1.00 10.00 H new ATOM 0 HG12 VAL A 16 3.286 -12.101 9.603 1.00 10.00 H new ATOM 0 HG13 VAL A 16 4.678 -11.342 10.411 1.00 10.00 H new ATOM 0 HG21 VAL A 16 6.088 -10.470 7.878 1.00 10.00 H new ATOM 0 HG22 VAL A 16 6.891 -11.248 9.263 1.00 10.00 H new ATOM 0 HG23 VAL A 16 7.071 -11.933 7.631 1.00 10.00 H new ATOM 252 N CYS A 17 3.875 -15.390 8.554 1.00 10.00 N ATOM 253 CA CYS A 17 2.788 -16.337 8.793 1.00 10.00 C ATOM 254 C CYS A 17 3.282 -17.781 8.663 1.00 10.00 C ATOM 255 O CYS A 17 2.484 -18.695 8.455 1.00 10.00 O ATOM 256 CB CYS A 17 1.616 -16.051 7.859 1.00 10.00 C ATOM 257 SG CYS A 17 1.936 -16.149 6.095 1.00 10.00 S ATOM 0 H CYS A 17 4.259 -15.434 7.610 1.00 10.00 H new ATOM 0 HA CYS A 17 2.434 -16.210 9.816 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.815 -16.750 8.097 1.00 10.00 H new ATOM 0 HB3 CYS A 17 1.243 -15.051 8.080 1.00 10.00 H new ATOM 262 N HIS A 18 4.596 -17.995 8.765 1.00 10.00 N ATOM 263 CA HIS A 18 5.238 -19.299 8.691 1.00 10.00 C ATOM 264 C HIS A 18 4.767 -20.081 7.459 1.00 10.00 C ATOM 265 O HIS A 18 4.572 -21.292 7.521 1.00 10.00 O ATOM 266 CB HIS A 18 4.998 -20.074 9.995 1.00 10.00 C ATOM 267 CG HIS A 18 5.372 -19.346 11.267 1.00 10.00 C ATOM 268 ND1 HIS A 18 6.071 -18.162 11.378 1.00 10.00 N ATOM 269 CD2 HIS A 18 5.045 -19.744 12.536 1.00 10.00 C ATOM 270 CE1 HIS A 18 6.155 -17.858 12.683 1.00 10.00 C ATOM 271 NE2 HIS A 18 5.548 -18.794 13.429 1.00 10.00 N ATOM 0 H HIS A 18 5.261 -17.235 8.906 1.00 10.00 H new ATOM 0 HA HIS A 18 6.313 -19.158 8.576 1.00 10.00 H new ATOM 0 HB2 HIS A 18 3.943 -20.342 10.048 1.00 10.00 H new ATOM 0 HB3 HIS A 18 5.562 -21.006 9.952 1.00 10.00 H new ATOM 0 HD1 HIS A 18 6.455 -17.616 10.607 1.00 10.00 H new ATOM 0 HD2 HIS A 18 4.495 -20.635 12.800 1.00 10.00 H new ATOM 0 HE1 HIS A 18 6.644 -16.980 13.078 1.00 10.00 H new ATOM 279 N GLY A 19 4.575 -19.390 6.333 1.00 10.00 N ATOM 280 CA GLY A 19 4.152 -20.036 5.099 1.00 10.00 C ATOM 281 C GLY A 19 2.674 -20.443 5.043 1.00 10.00 C ATOM 282 O GLY A 19 2.254 -20.999 4.028 1.00 10.00 O ATOM 0 H GLY A 19 4.707 -18.382 6.255 1.00 10.00 H new ATOM 0 HA2 GLY A 19 4.358 -19.362 4.267 1.00 10.00 H new ATOM 0 HA3 GLY A 19 4.763 -20.926 4.947 1.00 10.00 H new ATOM 286 N SER A 20 1.875 -20.202 6.091 1.00 10.00 N ATOM 287 CA SER A 20 0.473 -20.612 6.082 1.00 10.00 C ATOM 288 C SER A 20 -0.377 -19.630 5.278 1.00 10.00 C ATOM 289 O SER A 20 -0.935 -19.970 4.237 1.00 10.00 O ATOM 290 CB SER A 20 -0.067 -20.759 7.516 1.00 10.00 C ATOM 291 OG SER A 20 -0.063 -19.529 8.226 1.00 10.00 O ATOM 0 H SER A 20 2.175 -19.731 6.944 1.00 10.00 H new ATOM 0 HA SER A 20 0.411 -21.587 5.598 1.00 10.00 H new ATOM 0 HB2 SER A 20 -1.083 -21.151 7.480 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.537 -21.489 8.056 1.00 10.00 H new ATOM 0 HG SER A 20 0.861 -19.265 8.419 1.00 10.00 H new ATOM 297 N GLY A 21 -0.492 -18.425 5.831 1.00 10.00 N ATOM 298 CA GLY A 21 -1.323 -17.315 5.393 1.00 10.00 C ATOM 299 C GLY A 21 -1.983 -16.642 6.605 1.00 10.00 C ATOM 300 O GLY A 21 -2.592 -15.584 6.455 1.00 10.00 O ATOM 0 H GLY A 21 0.040 -18.184 6.667 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -0.718 -16.590 4.849 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -2.088 -17.673 4.704 1.00 10.00 H new ATOM 304 N ALA A 22 -1.879 -17.248 7.797 1.00 10.00 N ATOM 305 CA ALA A 22 -2.468 -16.741 9.026 1.00 10.00 C ATOM 306 C ALA A 22 -1.698 -15.535 9.568 1.00 10.00 C ATOM 307 O ALA A 22 -0.487 -15.607 9.759 1.00 10.00 O ATOM 308 CB ALA A 22 -2.471 -17.868 10.057 1.00 10.00 C ATOM 0 H ALA A 22 -1.370 -18.123 7.927 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.485 -16.406 8.820 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.909 -17.508 10.988 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.058 -18.705 9.679 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -1.448 -18.196 10.241 1.00 10.00 H new ATOM 314 N LYS A 23 -2.398 -14.431 9.820 1.00 10.00 N ATOM 315 CA LYS A 23 -1.866 -13.186 10.356 1.00 10.00 C ATOM 316 C LYS A 23 -0.909 -13.449 11.535 1.00 10.00 C ATOM 317 O LYS A 23 -1.166 -14.341 12.346 1.00 10.00 O ATOM 318 CB LYS A 23 -3.071 -12.311 10.742 1.00 10.00 C ATOM 319 CG LYS A 23 -2.753 -10.904 11.265 1.00 10.00 C ATOM 320 CD LYS A 23 -4.007 -10.219 11.825 1.00 10.00 C ATOM 321 CE LYS A 23 -5.098 -10.031 10.762 1.00 10.00 C ATOM 322 NZ LYS A 23 -6.218 -9.228 11.284 1.00 10.00 N ATOM 0 H LYS A 23 -3.402 -14.381 9.646 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.262 -12.663 9.614 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -3.716 -12.213 9.869 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.645 -12.837 11.505 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -1.992 -10.967 12.043 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.336 -10.300 10.459 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -4.405 -10.813 12.648 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -3.733 -9.247 12.236 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -4.674 -9.542 9.885 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -5.465 -11.005 10.438 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -6.940 -9.117 10.544 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -6.636 -9.708 12.106 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -5.869 -8.291 11.570 1.00 10.00 H new ATOM 336 N PRO A 24 0.196 -12.691 11.651 1.00 10.00 N ATOM 337 CA PRO A 24 1.158 -12.866 12.728 1.00 10.00 C ATOM 338 C PRO A 24 0.455 -12.771 14.085 1.00 10.00 C ATOM 339 O PRO A 24 -0.516 -12.028 14.240 1.00 10.00 O ATOM 340 CB PRO A 24 2.217 -11.773 12.546 1.00 10.00 C ATOM 341 CG PRO A 24 1.537 -10.745 11.642 1.00 10.00 C ATOM 342 CD PRO A 24 0.604 -11.598 10.785 1.00 10.00 C ATOM 0 HA PRO A 24 1.629 -13.848 12.698 1.00 10.00 H new ATOM 0 HB2 PRO A 24 2.506 -11.335 13.501 1.00 10.00 H new ATOM 0 HB3 PRO A 24 3.124 -12.168 12.089 1.00 10.00 H new ATOM 0 HG2 PRO A 24 0.987 -10.002 12.220 1.00 10.00 H new ATOM 0 HG3 PRO A 24 2.260 -10.203 11.033 1.00 10.00 H new ATOM 0 HD2 PRO A 24 -0.256 -11.022 10.444 1.00 10.00 H new ATOM 0 HD3 PRO A 24 1.113 -11.968 9.895 1.00 10.00 H new ATOM 350 N GLY A 25 0.927 -13.552 15.062 1.00 10.00 N ATOM 351 CA GLY A 25 0.354 -13.597 16.403 1.00 10.00 C ATOM 352 C GLY A 25 -1.138 -13.941 16.408 1.00 10.00 C ATOM 353 O GLY A 25 -1.837 -13.618 17.367 1.00 10.00 O ATOM 0 H GLY A 25 1.725 -14.175 14.939 1.00 10.00 H new ATOM 0 HA2 GLY A 25 0.893 -14.335 16.997 1.00 10.00 H new ATOM 0 HA3 GLY A 25 0.500 -12.631 16.886 1.00 10.00 H new ATOM 357 N THR A 26 -1.623 -14.599 15.351 1.00 10.00 N ATOM 358 CA THR A 26 -3.005 -15.011 15.175 1.00 10.00 C ATOM 359 C THR A 26 -2.961 -16.434 14.599 1.00 10.00 C ATOM 360 O THR A 26 -1.880 -16.905 14.241 1.00 10.00 O ATOM 361 CB THR A 26 -3.707 -13.997 14.252 1.00 10.00 C ATOM 362 OG1 THR A 26 -3.278 -12.670 14.511 1.00 10.00 O ATOM 363 CG2 THR A 26 -5.232 -14.017 14.410 1.00 10.00 C ATOM 0 H THR A 26 -1.032 -14.867 14.564 1.00 10.00 H new ATOM 0 HA THR A 26 -3.576 -15.028 16.104 1.00 10.00 H new ATOM 0 HB THR A 26 -3.437 -14.299 13.240 1.00 10.00 H new ATOM 0 HG1 THR A 26 -2.346 -12.566 14.227 1.00 10.00 H new ATOM 0 HG21 THR A 26 -5.677 -13.284 13.737 1.00 10.00 H new ATOM 0 HG22 THR A 26 -5.610 -15.010 14.166 1.00 10.00 H new ATOM 0 HG23 THR A 26 -5.494 -13.771 15.439 1.00 10.00 H new ATOM 371 N GLN A 27 -4.096 -17.140 14.530 1.00 10.00 N ATOM 372 CA GLN A 27 -4.154 -18.512 14.039 1.00 10.00 C ATOM 373 C GLN A 27 -5.305 -18.692 13.043 1.00 10.00 C ATOM 374 O GLN A 27 -6.311 -17.991 13.157 1.00 10.00 O ATOM 375 CB GLN A 27 -4.245 -19.487 15.229 1.00 10.00 C ATOM 376 CG GLN A 27 -5.282 -19.143 16.315 1.00 10.00 C ATOM 377 CD GLN A 27 -6.736 -19.274 15.869 1.00 10.00 C ATOM 378 OE1 GLN A 27 -7.498 -18.311 15.907 1.00 10.00 O ATOM 379 NE2 GLN A 27 -7.143 -20.460 15.433 1.00 10.00 N ATOM 0 H GLN A 27 -5.002 -16.769 14.816 1.00 10.00 H new ATOM 0 HA GLN A 27 -3.238 -18.739 13.493 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -4.472 -20.480 14.841 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -3.263 -19.545 15.699 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -5.119 -19.794 17.174 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -5.110 -18.121 16.653 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -6.493 -21.246 15.410 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -8.106 -20.586 15.121 1.00 10.00 H new ATOM 388 N PRO A 28 -5.179 -19.619 12.076 1.00 10.00 N ATOM 389 CA PRO A 28 -6.232 -19.926 11.127 1.00 10.00 C ATOM 390 C PRO A 28 -7.176 -20.946 11.763 1.00 10.00 C ATOM 391 O PRO A 28 -6.839 -21.540 12.788 1.00 10.00 O ATOM 392 CB PRO A 28 -5.512 -20.528 9.934 1.00 10.00 C ATOM 393 CG PRO A 28 -4.387 -21.324 10.601 1.00 10.00 C ATOM 394 CD PRO A 28 -4.035 -20.492 11.840 1.00 10.00 C ATOM 0 HA PRO A 28 -6.825 -19.059 10.837 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -6.168 -21.167 9.343 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -5.125 -19.761 9.263 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -4.714 -22.328 10.873 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -3.529 -21.437 9.938 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -3.850 -21.134 12.701 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -3.128 -19.911 11.675 1.00 10.00 H new ATOM 402 N GLN A 29 -8.342 -21.180 11.156 1.00 10.00 N ATOM 403 CA GLN A 29 -9.309 -22.124 11.715 1.00 10.00 C ATOM 404 C GLN A 29 -9.320 -23.422 10.912 1.00 10.00 C ATOM 405 O GLN A 29 -9.480 -23.382 9.697 1.00 10.00 O ATOM 406 CB GLN A 29 -10.703 -21.483 11.770 1.00 10.00 C ATOM 407 CG GLN A 29 -10.695 -20.030 12.271 1.00 10.00 C ATOM 408 CD GLN A 29 -9.882 -19.798 13.545 1.00 10.00 C ATOM 409 OE1 GLN A 29 -9.827 -20.644 14.434 1.00 10.00 O ATOM 410 NE2 GLN A 29 -9.221 -18.649 13.642 1.00 10.00 N ATOM 0 H GLN A 29 -8.636 -20.734 10.287 1.00 10.00 H new ATOM 0 HA GLN A 29 -9.012 -22.372 12.734 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -11.146 -21.512 10.775 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -11.342 -22.079 12.421 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -10.299 -19.390 11.482 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -11.723 -19.716 12.450 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -9.281 -17.961 12.891 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -8.653 -18.455 14.467 1.00 10.00 H new ATOM 419 N THR A 30 -9.138 -24.575 11.558 1.00 10.00 N ATOM 420 CA THR A 30 -9.142 -25.876 10.908 1.00 10.00 C ATOM 421 C THR A 30 -10.382 -26.031 10.021 1.00 10.00 C ATOM 422 O THR A 30 -11.498 -25.929 10.524 1.00 10.00 O ATOM 423 CB THR A 30 -9.155 -26.945 12.010 1.00 10.00 C ATOM 424 OG1 THR A 30 -8.288 -26.534 13.051 1.00 10.00 O ATOM 425 CG2 THR A 30 -8.708 -28.303 11.465 1.00 10.00 C ATOM 0 H THR A 30 -8.981 -24.626 12.565 1.00 10.00 H new ATOM 0 HA THR A 30 -8.261 -25.981 10.275 1.00 10.00 H new ATOM 0 HB THR A 30 -10.172 -27.055 12.387 1.00 10.00 H new ATOM 0 HG1 THR A 30 -8.289 -27.208 13.762 1.00 10.00 H new ATOM 0 HG21 THR A 30 -8.727 -29.041 12.267 1.00 10.00 H new ATOM 0 HG22 THR A 30 -9.383 -28.616 10.668 1.00 10.00 H new ATOM 0 HG23 THR A 30 -7.695 -28.221 11.071 1.00 10.00 H new ATOM 433 N CYS A 31 -10.212 -26.282 8.719 1.00 10.00 N ATOM 434 CA CYS A 31 -11.348 -26.459 7.828 1.00 10.00 C ATOM 435 C CYS A 31 -12.102 -27.732 8.229 1.00 10.00 C ATOM 436 O CYS A 31 -11.533 -28.822 8.123 1.00 10.00 O ATOM 437 CB CYS A 31 -10.872 -26.560 6.380 1.00 10.00 C ATOM 438 SG CYS A 31 -12.229 -26.657 5.188 1.00 10.00 S ATOM 0 H CYS A 31 -9.302 -26.366 8.267 1.00 10.00 H new ATOM 0 HA CYS A 31 -12.014 -25.600 7.910 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -10.253 -25.693 6.147 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -10.240 -27.441 6.273 1.00 10.00 H new ATOM 443 N PRO A 32 -13.362 -27.644 8.682 1.00 10.00 N ATOM 444 CA PRO A 32 -14.099 -28.816 9.113 1.00 10.00 C ATOM 445 C PRO A 32 -14.454 -29.702 7.919 1.00 10.00 C ATOM 446 O PRO A 32 -14.420 -30.924 8.036 1.00 10.00 O ATOM 447 CB PRO A 32 -15.320 -28.271 9.854 1.00 10.00 C ATOM 448 CG PRO A 32 -15.584 -26.933 9.165 1.00 10.00 C ATOM 449 CD PRO A 32 -14.175 -26.443 8.824 1.00 10.00 C ATOM 0 HA PRO A 32 -13.520 -29.464 9.771 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -16.174 -28.942 9.769 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -15.120 -28.143 10.918 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -16.198 -27.052 8.272 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -16.107 -26.237 9.821 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -14.176 -25.860 7.903 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -13.784 -25.797 9.610 1.00 10.00 H new ATOM 457 N THR A 33 -14.765 -29.095 6.769 1.00 10.00 N ATOM 458 CA THR A 33 -15.131 -29.763 5.528 1.00 10.00 C ATOM 459 C THR A 33 -14.198 -30.928 5.180 1.00 10.00 C ATOM 460 O THR A 33 -14.665 -31.970 4.726 1.00 10.00 O ATOM 461 CB THR A 33 -15.144 -28.706 4.413 1.00 10.00 C ATOM 462 OG1 THR A 33 -15.570 -27.467 4.950 1.00 10.00 O ATOM 463 CG2 THR A 33 -16.056 -29.106 3.251 1.00 10.00 C ATOM 0 H THR A 33 -14.767 -28.079 6.680 1.00 10.00 H new ATOM 0 HA THR A 33 -16.118 -30.211 5.644 1.00 10.00 H new ATOM 0 HB THR A 33 -14.131 -28.621 4.019 1.00 10.00 H new ATOM 0 HG1 THR A 33 -14.788 -26.909 5.146 1.00 10.00 H new ATOM 0 HG21 THR A 33 -16.034 -28.329 2.487 1.00 10.00 H new ATOM 0 HG22 THR A 33 -15.709 -30.046 2.823 1.00 10.00 H new ATOM 0 HG23 THR A 33 -17.076 -29.228 3.615 1.00 10.00 H new ATOM 471 N CYS A 34 -12.890 -30.753 5.401 1.00 10.00 N ATOM 472 CA CYS A 34 -11.883 -31.781 5.148 1.00 10.00 C ATOM 473 C CYS A 34 -11.200 -32.223 6.446 1.00 10.00 C ATOM 474 O CYS A 34 -10.114 -32.797 6.401 1.00 10.00 O ATOM 475 CB CYS A 34 -10.855 -31.256 4.142 1.00 10.00 C ATOM 476 SG CYS A 34 -10.087 -29.674 4.547 1.00 10.00 S ATOM 0 H CYS A 34 -12.500 -29.883 5.764 1.00 10.00 H new ATOM 0 HA CYS A 34 -12.378 -32.657 4.728 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -10.068 -32.002 4.034 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -11.341 -31.163 3.171 1.00 10.00 H new ATOM 481 N HIS A 35 -11.808 -31.945 7.604 1.00 10.00 N ATOM 482 CA HIS A 35 -11.267 -32.282 8.918 1.00 10.00 C ATOM 483 C HIS A 35 -9.793 -31.862 9.023 1.00 10.00 C ATOM 484 O HIS A 35 -8.959 -32.601 9.541 1.00 10.00 O ATOM 485 CB HIS A 35 -11.455 -33.783 9.203 1.00 10.00 C ATOM 486 CG HIS A 35 -12.869 -34.305 9.093 1.00 10.00 C ATOM 487 ND1 HIS A 35 -14.016 -33.575 8.860 1.00 10.00 N ATOM 488 CD2 HIS A 35 -13.238 -35.619 9.202 1.00 10.00 C ATOM 489 CE1 HIS A 35 -15.046 -34.436 8.824 1.00 10.00 C ATOM 490 NE2 HIS A 35 -14.624 -35.694 9.030 1.00 10.00 N ATOM 0 H HIS A 35 -12.709 -31.469 7.651 1.00 10.00 H new ATOM 0 HA HIS A 35 -11.817 -31.728 9.679 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -10.826 -34.345 8.513 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -11.089 -33.990 10.209 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -14.072 -32.564 8.737 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -12.575 -36.451 9.388 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -16.075 -34.155 8.653 1.00 10.00 H new ATOM 498 N GLY A 36 -9.464 -30.673 8.511 1.00 10.00 N ATOM 499 CA GLY A 36 -8.113 -30.133 8.529 1.00 10.00 C ATOM 500 C GLY A 36 -7.103 -30.848 7.621 1.00 10.00 C ATOM 501 O GLY A 36 -5.962 -30.402 7.553 1.00 10.00 O ATOM 0 H GLY A 36 -10.142 -30.054 8.067 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -8.156 -29.083 8.239 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -7.741 -30.166 9.553 1.00 10.00 H new ATOM 505 N SER A 37 -7.469 -31.931 6.924 1.00 10.00 N ATOM 506 CA SER A 37 -6.518 -32.651 6.079 1.00 10.00 C ATOM 507 C SER A 37 -6.059 -31.791 4.901 1.00 10.00 C ATOM 508 O SER A 37 -4.881 -31.764 4.555 1.00 10.00 O ATOM 509 CB SER A 37 -7.135 -33.955 5.557 1.00 10.00 C ATOM 510 OG SER A 37 -8.217 -33.695 4.680 1.00 10.00 O ATOM 0 H SER A 37 -8.411 -32.323 6.930 1.00 10.00 H new ATOM 0 HA SER A 37 -5.649 -32.888 6.694 1.00 10.00 H new ATOM 0 HB2 SER A 37 -6.374 -34.538 5.037 1.00 10.00 H new ATOM 0 HB3 SER A 37 -7.481 -34.558 6.396 1.00 10.00 H new ATOM 0 HG SER A 37 -9.005 -33.436 5.201 1.00 10.00 H new ATOM 516 N GLY A 38 -7.035 -31.143 4.265 1.00 10.00 N ATOM 517 CA GLY A 38 -6.868 -30.336 3.070 1.00 10.00 C ATOM 518 C GLY A 38 -7.526 -30.997 1.858 1.00 10.00 C ATOM 519 O GLY A 38 -7.434 -30.449 0.761 1.00 10.00 O ATOM 0 H GLY A 38 -8.002 -31.171 4.587 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.304 -29.350 3.231 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -5.806 -30.187 2.874 1.00 10.00 H new ATOM 523 N GLN A 39 -8.204 -32.143 2.028 1.00 10.00 N ATOM 524 CA GLN A 39 -8.857 -32.836 0.923 1.00 10.00 C ATOM 525 C GLN A 39 -10.266 -33.301 1.289 1.00 10.00 C ATOM 526 O GLN A 39 -10.521 -33.743 2.407 1.00 10.00 O ATOM 527 CB GLN A 39 -7.983 -33.995 0.425 1.00 10.00 C ATOM 528 CG GLN A 39 -7.620 -34.997 1.531 1.00 10.00 C ATOM 529 CD GLN A 39 -6.849 -36.197 0.992 1.00 10.00 C ATOM 530 OE1 GLN A 39 -6.517 -36.265 -0.186 1.00 10.00 O ATOM 531 NE2 GLN A 39 -6.558 -37.168 1.853 1.00 10.00 N ATOM 0 H GLN A 39 -8.311 -32.607 2.930 1.00 10.00 H new ATOM 0 HA GLN A 39 -8.973 -32.125 0.105 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -8.507 -34.520 -0.374 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -7.067 -33.592 -0.006 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -7.022 -34.495 2.291 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -8.531 -35.342 2.019 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -6.845 -37.088 2.828 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -6.047 -37.993 1.538 1.00 10.00 H new ATOM 540 N VAL A 40 -11.168 -33.223 0.314 1.00 10.00 N ATOM 541 CA VAL A 40 -12.548 -33.677 0.385 1.00 10.00 C ATOM 542 C VAL A 40 -12.622 -35.043 -0.292 1.00 10.00 C ATOM 543 O VAL A 40 -11.698 -35.410 -1.019 1.00 10.00 O ATOM 544 CB VAL A 40 -13.459 -32.705 -0.387 1.00 10.00 C ATOM 545 CG1 VAL A 40 -13.659 -31.386 0.355 1.00 10.00 C ATOM 546 CG2 VAL A 40 -12.918 -32.414 -1.794 1.00 10.00 C ATOM 0 H VAL A 40 -10.940 -32.819 -0.594 1.00 10.00 H new ATOM 0 HA VAL A 40 -12.871 -33.728 1.425 1.00 10.00 H new ATOM 0 HB VAL A 40 -14.423 -33.206 -0.471 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -14.308 -30.734 -0.230 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -14.117 -31.580 1.325 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -12.694 -30.900 0.500 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -13.589 -31.724 -2.306 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -11.927 -31.967 -1.717 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -12.854 -33.344 -2.359 1.00 10.00 H new ATOM 556 N GLN A 41 -13.750 -35.743 -0.123 1.00 10.00 N ATOM 557 CA GLN A 41 -14.056 -36.986 -0.811 1.00 10.00 C ATOM 558 C GLN A 41 -15.420 -36.806 -1.473 1.00 10.00 C ATOM 559 O GLN A 41 -16.406 -36.563 -0.782 1.00 10.00 O ATOM 560 CB GLN A 41 -14.010 -38.189 0.138 1.00 10.00 C ATOM 561 CG GLN A 41 -14.067 -39.492 -0.676 1.00 10.00 C ATOM 562 CD GLN A 41 -14.104 -40.729 0.214 1.00 10.00 C ATOM 563 OE1 GLN A 41 -15.043 -41.515 0.154 1.00 10.00 O ATOM 564 NE2 GLN A 41 -13.082 -40.919 1.043 1.00 10.00 N ATOM 0 H GLN A 41 -14.489 -35.446 0.514 1.00 10.00 H new ATOM 0 HA GLN A 41 -13.304 -37.203 -1.570 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -13.098 -38.160 0.734 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -14.847 -38.147 0.835 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -14.950 -39.480 -1.315 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -13.199 -39.546 -1.333 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -12.315 -40.247 1.070 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -13.065 -41.737 1.652 1.00 10.00 H new ATOM 573 N MET A 42 -15.460 -36.905 -2.802 1.00 10.00 N ATOM 574 CA MET A 42 -16.660 -36.758 -3.606 1.00 10.00 C ATOM 575 C MET A 42 -17.069 -38.130 -4.137 1.00 10.00 C ATOM 576 O MET A 42 -16.220 -38.885 -4.615 1.00 10.00 O ATOM 577 CB MET A 42 -16.364 -35.777 -4.747 1.00 10.00 C ATOM 578 CG MET A 42 -17.596 -35.482 -5.611 1.00 10.00 C ATOM 579 SD MET A 42 -17.300 -34.263 -6.916 1.00 10.00 S ATOM 580 CE MET A 42 -18.954 -34.174 -7.636 1.00 10.00 C ATOM 0 H MET A 42 -14.628 -37.096 -3.360 1.00 10.00 H new ATOM 0 HA MET A 42 -17.486 -36.362 -3.015 1.00 10.00 H new ATOM 0 HB2 MET A 42 -15.987 -34.844 -4.329 1.00 10.00 H new ATOM 0 HB3 MET A 42 -15.574 -36.186 -5.376 1.00 10.00 H new ATOM 0 HG2 MET A 42 -17.940 -36.411 -6.066 1.00 10.00 H new ATOM 0 HG3 MET A 42 -18.401 -35.125 -4.969 1.00 10.00 H new ATOM 0 HE1 MET A 42 -18.954 -33.463 -8.462 1.00 10.00 H new ATOM 0 HE2 MET A 42 -19.244 -35.158 -8.005 1.00 10.00 H new ATOM 0 HE3 MET A 42 -19.664 -33.848 -6.876 1.00 10.00 H new ATOM 590 N ARG A 43 -18.368 -38.436 -4.063 1.00 10.00 N ATOM 591 CA ARG A 43 -18.958 -39.672 -4.552 1.00 10.00 C ATOM 592 C ARG A 43 -19.574 -39.398 -5.923 1.00 10.00 C ATOM 593 O ARG A 43 -20.549 -38.653 -6.021 1.00 10.00 O ATOM 594 CB ARG A 43 -19.998 -40.181 -3.542 1.00 10.00 C ATOM 595 CG ARG A 43 -20.673 -41.476 -4.021 1.00 10.00 C ATOM 596 CD ARG A 43 -21.503 -42.124 -2.909 1.00 10.00 C ATOM 597 NE ARG A 43 -22.468 -41.184 -2.323 1.00 10.00 N ATOM 598 CZ ARG A 43 -23.683 -40.893 -2.813 1.00 10.00 C ATOM 599 NH1 ARG A 43 -24.136 -41.469 -3.931 1.00 10.00 N ATOM 600 NH2 ARG A 43 -24.451 -40.011 -2.165 1.00 10.00 N ATOM 0 H ARG A 43 -19.054 -37.806 -3.647 1.00 10.00 H new ATOM 0 HA ARG A 43 -18.204 -40.452 -4.660 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -19.515 -40.357 -2.581 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -20.756 -39.414 -3.383 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -21.315 -41.258 -4.875 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -19.913 -42.178 -4.364 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -22.035 -42.987 -3.310 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -20.838 -42.494 -2.129 1.00 10.00 H new ATOM 0 HE ARG A 43 -22.189 -40.709 -1.465 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -23.555 -42.144 -4.429 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -25.063 -41.234 -4.287 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -24.111 -39.570 -1.311 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -25.377 -39.780 -2.525 1.00 10.00 H new ATOM 614 N GLN A 44 -19.054 -40.020 -6.984 1.00 10.00 N ATOM 615 CA GLN A 44 -19.593 -39.883 -8.333 1.00 10.00 C ATOM 616 C GLN A 44 -20.794 -40.824 -8.477 1.00 10.00 C ATOM 617 O GLN A 44 -20.809 -41.722 -9.321 1.00 10.00 O ATOM 618 CB GLN A 44 -18.500 -40.141 -9.384 1.00 10.00 C ATOM 619 CG GLN A 44 -17.818 -41.510 -9.228 1.00 10.00 C ATOM 620 CD GLN A 44 -17.713 -42.271 -10.543 1.00 10.00 C ATOM 621 OE1 GLN A 44 -16.623 -42.523 -11.044 1.00 10.00 O ATOM 622 NE2 GLN A 44 -18.855 -42.673 -11.085 1.00 10.00 N ATOM 0 H GLN A 44 -18.243 -40.636 -6.928 1.00 10.00 H new ATOM 0 HA GLN A 44 -19.938 -38.863 -8.504 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -18.939 -40.073 -10.379 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -17.746 -39.357 -9.314 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -16.819 -41.368 -8.815 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -18.378 -42.110 -8.510 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -19.742 -42.442 -10.636 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -18.847 -43.213 -11.950 1.00 10.00 H new ATOM 631 N GLY A 45 -21.796 -40.643 -7.614 1.00 10.00 N ATOM 632 CA GLY A 45 -22.976 -41.488 -7.567 1.00 10.00 C ATOM 633 C GLY A 45 -22.638 -42.835 -6.925 1.00 10.00 C ATOM 634 O GLY A 45 -23.120 -43.132 -5.834 1.00 10.00 O ATOM 0 H GLY A 45 -21.804 -39.894 -6.922 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -23.763 -40.994 -6.998 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -23.361 -41.644 -8.575 1.00 10.00 H new ATOM 638 N PHE A 46 -21.807 -43.635 -7.597 1.00 10.00 N ATOM 639 CA PHE A 46 -21.381 -44.955 -7.152 1.00 10.00 C ATOM 640 C PHE A 46 -19.973 -44.897 -6.551 1.00 10.00 C ATOM 641 O PHE A 46 -19.831 -44.950 -5.332 1.00 10.00 O ATOM 642 CB PHE A 46 -21.535 -45.988 -8.282 1.00 10.00 C ATOM 643 CG PHE A 46 -21.137 -45.549 -9.684 1.00 10.00 C ATOM 644 CD1 PHE A 46 -22.009 -44.736 -10.436 1.00 10.00 C ATOM 645 CD2 PHE A 46 -20.005 -46.106 -10.308 1.00 10.00 C ATOM 646 CE1 PHE A 46 -21.729 -44.446 -11.782 1.00 10.00 C ATOM 647 CE2 PHE A 46 -19.738 -45.836 -11.661 1.00 10.00 C ATOM 648 CZ PHE A 46 -20.601 -45.009 -12.402 1.00 10.00 C ATOM 0 H PHE A 46 -21.401 -43.369 -8.494 1.00 10.00 H new ATOM 0 HA PHE A 46 -22.035 -45.294 -6.348 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -20.942 -46.865 -8.021 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -22.578 -46.305 -8.310 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -22.898 -44.333 -9.974 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -19.339 -46.743 -9.745 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -22.381 -43.790 -12.340 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -18.867 -46.265 -12.134 1.00 10.00 H new ATOM 0 HZ PHE A 46 -20.397 -44.808 -13.443 1.00 10.00 H new ATOM 658 N PHE A 47 -18.929 -44.800 -7.381 1.00 10.00 N ATOM 659 CA PHE A 47 -17.558 -44.737 -6.874 1.00 10.00 C ATOM 660 C PHE A 47 -17.310 -43.403 -6.162 1.00 10.00 C ATOM 661 O PHE A 47 -18.138 -42.495 -6.221 1.00 10.00 O ATOM 662 CB PHE A 47 -16.547 -44.938 -8.012 1.00 10.00 C ATOM 663 CG PHE A 47 -16.734 -46.171 -8.878 1.00 10.00 C ATOM 664 CD1 PHE A 47 -17.061 -47.414 -8.300 1.00 10.00 C ATOM 665 CD2 PHE A 47 -16.452 -46.099 -10.256 1.00 10.00 C ATOM 666 CE1 PHE A 47 -17.153 -48.565 -9.103 1.00 10.00 C ATOM 667 CE2 PHE A 47 -16.514 -47.256 -11.052 1.00 10.00 C ATOM 668 CZ PHE A 47 -16.882 -48.485 -10.480 1.00 10.00 C ATOM 0 H PHE A 47 -19.007 -44.764 -8.397 1.00 10.00 H new ATOM 0 HA PHE A 47 -17.423 -45.543 -6.153 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -16.581 -44.060 -8.657 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -15.548 -44.975 -7.578 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -17.241 -47.483 -7.237 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -16.187 -45.152 -10.703 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -17.432 -49.510 -8.662 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -16.278 -47.200 -12.105 1.00 10.00 H new ATOM 0 HZ PHE A 47 -16.957 -49.368 -11.098 1.00 10.00 H new ATOM 678 N ALA A 48 -16.150 -43.256 -5.518 1.00 10.00 N ATOM 679 CA ALA A 48 -15.781 -42.022 -4.845 1.00 10.00 C ATOM 680 C ALA A 48 -14.285 -41.787 -4.988 1.00 10.00 C ATOM 681 O ALA A 48 -13.528 -42.747 -5.132 1.00 10.00 O ATOM 682 CB ALA A 48 -16.200 -42.080 -3.373 1.00 10.00 C ATOM 0 H ALA A 48 -15.446 -43.991 -5.452 1.00 10.00 H new ATOM 0 HA ALA A 48 -16.303 -41.184 -5.307 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -15.919 -41.151 -2.878 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -17.280 -42.214 -3.307 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -15.700 -42.917 -2.885 1.00 10.00 H new ATOM 688 N VAL A 49 -13.874 -40.518 -4.959 1.00 10.00 N ATOM 689 CA VAL A 49 -12.485 -40.100 -5.081 1.00 10.00 C ATOM 690 C VAL A 49 -12.269 -38.829 -4.275 1.00 10.00 C ATOM 691 O VAL A 49 -13.208 -38.078 -4.011 1.00 10.00 O ATOM 692 CB VAL A 49 -12.066 -39.874 -6.549 1.00 10.00 C ATOM 693 CG1 VAL A 49 -11.285 -41.082 -7.068 1.00 10.00 C ATOM 694 CG2 VAL A 49 -13.241 -39.537 -7.479 1.00 10.00 C ATOM 0 H VAL A 49 -14.519 -39.736 -4.847 1.00 10.00 H new ATOM 0 HA VAL A 49 -11.860 -40.904 -4.691 1.00 10.00 H new ATOM 0 HB VAL A 49 -11.421 -38.995 -6.557 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -10.995 -40.910 -8.105 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -10.391 -41.226 -6.461 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -11.911 -41.972 -7.009 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -12.871 -39.391 -8.494 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -13.960 -40.356 -7.469 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -13.727 -38.624 -7.135 1.00 10.00 H new ATOM 704 N GLN A 50 -11.013 -38.595 -3.895 1.00 10.00 N ATOM 705 CA GLN A 50 -10.628 -37.415 -3.149 1.00 10.00 C ATOM 706 C GLN A 50 -10.423 -36.228 -4.089 1.00 10.00 C ATOM 707 O GLN A 50 -10.133 -36.427 -5.270 1.00 10.00 O ATOM 708 CB GLN A 50 -9.383 -37.686 -2.292 1.00 10.00 C ATOM 709 CG GLN A 50 -8.054 -37.582 -3.054 1.00 10.00 C ATOM 710 CD GLN A 50 -7.831 -38.710 -4.058 1.00 10.00 C ATOM 711 OE1 GLN A 50 -7.191 -39.708 -3.746 1.00 10.00 O ATOM 712 NE2 GLN A 50 -8.364 -38.583 -5.269 1.00 10.00 N ATOM 0 H GLN A 50 -10.238 -39.225 -4.100 1.00 10.00 H new ATOM 0 HA GLN A 50 -11.438 -37.159 -2.466 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -9.368 -36.980 -1.461 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -9.464 -38.684 -1.861 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -8.021 -36.628 -3.580 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -7.233 -37.579 -2.336 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -8.893 -37.744 -5.508 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -8.244 -39.324 -5.959 1.00 10.00 H new ATOM 721 N GLN A 51 -10.494 -35.006 -3.560 1.00 10.00 N ATOM 722 CA GLN A 51 -10.179 -33.794 -4.306 1.00 10.00 C ATOM 723 C GLN A 51 -9.575 -32.800 -3.319 1.00 10.00 C ATOM 724 O GLN A 51 -9.863 -32.878 -2.127 1.00 10.00 O ATOM 725 CB GLN A 51 -11.418 -33.168 -4.969 1.00 10.00 C ATOM 726 CG GLN A 51 -12.425 -34.157 -5.573 1.00 10.00 C ATOM 727 CD GLN A 51 -13.677 -33.423 -6.041 1.00 10.00 C ATOM 728 OE1 GLN A 51 -13.958 -33.343 -7.231 1.00 10.00 O ATOM 729 NE2 GLN A 51 -14.435 -32.872 -5.096 1.00 10.00 N ATOM 0 H GLN A 51 -10.774 -34.832 -2.595 1.00 10.00 H new ATOM 0 HA GLN A 51 -9.488 -34.045 -5.110 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -11.935 -32.560 -4.227 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -11.083 -32.493 -5.757 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -11.969 -34.683 -6.412 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -12.693 -34.910 -4.832 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -14.170 -32.959 -4.115 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -15.281 -32.363 -5.353 1.00 10.00 H new ATOM 738 N THR A 52 -8.765 -31.855 -3.794 1.00 10.00 N ATOM 739 CA THR A 52 -8.208 -30.814 -2.945 1.00 10.00 C ATOM 740 C THR A 52 -9.364 -29.965 -2.412 1.00 10.00 C ATOM 741 O THR A 52 -10.239 -29.588 -3.189 1.00 10.00 O ATOM 742 CB THR A 52 -7.266 -29.955 -3.799 1.00 10.00 C ATOM 743 OG1 THR A 52 -6.413 -30.805 -4.540 1.00 10.00 O ATOM 744 CG2 THR A 52 -6.437 -29.017 -2.922 1.00 10.00 C ATOM 0 H THR A 52 -8.481 -31.793 -4.772 1.00 10.00 H new ATOM 0 HA THR A 52 -7.653 -31.236 -2.107 1.00 10.00 H new ATOM 0 HB THR A 52 -7.861 -29.343 -4.477 1.00 10.00 H new ATOM 0 HG1 THR A 52 -5.809 -30.264 -5.090 1.00 10.00 H new ATOM 0 HG21 THR A 52 -5.777 -28.419 -3.551 1.00 10.00 H new ATOM 0 HG22 THR A 52 -7.102 -28.358 -2.364 1.00 10.00 H new ATOM 0 HG23 THR A 52 -5.839 -29.604 -2.225 1.00 10.00 H new ATOM 752 N CYS A 53 -9.395 -29.648 -1.115 1.00 10.00 N ATOM 753 CA CYS A 53 -10.469 -28.832 -0.571 1.00 10.00 C ATOM 754 C CYS A 53 -10.302 -27.390 -1.064 1.00 10.00 C ATOM 755 O CYS A 53 -9.294 -26.760 -0.733 1.00 10.00 O ATOM 756 CB CYS A 53 -10.456 -28.879 0.956 1.00 10.00 C ATOM 757 SG CYS A 53 -11.866 -28.008 1.689 1.00 10.00 S ATOM 0 H CYS A 53 -8.695 -29.943 -0.434 1.00 10.00 H new ATOM 0 HA CYS A 53 -11.428 -29.223 -0.911 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -10.464 -29.918 1.284 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -9.530 -28.437 1.322 1.00 10.00 H new ATOM 762 N PRO A 54 -11.253 -26.837 -1.835 1.00 10.00 N ATOM 763 CA PRO A 54 -11.130 -25.488 -2.358 1.00 10.00 C ATOM 764 C PRO A 54 -11.264 -24.445 -1.249 1.00 10.00 C ATOM 765 O PRO A 54 -10.580 -23.426 -1.286 1.00 10.00 O ATOM 766 CB PRO A 54 -12.235 -25.358 -3.409 1.00 10.00 C ATOM 767 CG PRO A 54 -13.314 -26.323 -2.918 1.00 10.00 C ATOM 768 CD PRO A 54 -12.499 -27.449 -2.279 1.00 10.00 C ATOM 0 HA PRO A 54 -10.148 -25.311 -2.796 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -12.610 -24.336 -3.472 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -11.877 -25.629 -4.402 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -13.983 -25.850 -2.199 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -13.934 -26.687 -3.737 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -13.036 -27.893 -1.441 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -12.308 -28.248 -2.995 1.00 10.00 H new ATOM 776 N HIS A 55 -12.143 -24.690 -0.270 1.00 10.00 N ATOM 777 CA HIS A 55 -12.441 -23.777 0.829 1.00 10.00 C ATOM 778 C HIS A 55 -11.190 -23.232 1.530 1.00 10.00 C ATOM 779 O HIS A 55 -11.158 -22.054 1.889 1.00 10.00 O ATOM 780 CB HIS A 55 -13.386 -24.463 1.825 1.00 10.00 C ATOM 781 CG HIS A 55 -14.072 -23.509 2.772 1.00 10.00 C ATOM 782 ND1 HIS A 55 -13.759 -22.181 2.963 1.00 10.00 N ATOM 783 CD2 HIS A 55 -15.161 -23.794 3.552 1.00 10.00 C ATOM 784 CE1 HIS A 55 -14.651 -21.677 3.833 1.00 10.00 C ATOM 785 NE2 HIS A 55 -15.519 -22.623 4.227 1.00 10.00 N ATOM 0 H HIS A 55 -12.680 -25.556 -0.223 1.00 10.00 H new ATOM 0 HA HIS A 55 -12.933 -22.904 0.400 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -14.144 -25.017 1.270 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -12.820 -25.192 2.405 1.00 10.00 H new ATOM 0 HD1 HIS A 55 -12.991 -21.673 2.524 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -15.655 -24.751 3.631 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -14.667 -20.651 4.169 1.00 10.00 H new ATOM 793 N CYS A 56 -10.178 -24.084 1.712 1.00 10.00 N ATOM 794 CA CYS A 56 -8.894 -23.740 2.323 1.00 10.00 C ATOM 795 C CYS A 56 -7.749 -23.900 1.316 1.00 10.00 C ATOM 796 O CYS A 56 -6.591 -24.005 1.712 1.00 10.00 O ATOM 797 CB CYS A 56 -8.665 -24.595 3.573 1.00 10.00 C ATOM 798 SG CYS A 56 -8.958 -26.363 3.374 1.00 10.00 S ATOM 0 H CYS A 56 -10.232 -25.062 1.429 1.00 10.00 H new ATOM 0 HA CYS A 56 -8.916 -22.693 2.624 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -7.637 -24.451 3.906 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -9.313 -24.225 4.368 1.00 10.00 H new ATOM 803 N GLN A 57 -8.060 -23.912 0.015 1.00 10.00 N ATOM 804 CA GLN A 57 -7.090 -24.010 -1.067 1.00 10.00 C ATOM 805 C GLN A 57 -6.063 -25.118 -0.797 1.00 10.00 C ATOM 806 O GLN A 57 -4.864 -24.927 -0.977 1.00 10.00 O ATOM 807 CB GLN A 57 -6.426 -22.641 -1.301 1.00 10.00 C ATOM 808 CG GLN A 57 -7.422 -21.495 -1.551 1.00 10.00 C ATOM 809 CD GLN A 57 -8.111 -21.012 -0.274 1.00 10.00 C ATOM 810 OE1 GLN A 57 -7.472 -20.437 0.600 1.00 10.00 O ATOM 811 NE2 GLN A 57 -9.408 -21.263 -0.135 1.00 10.00 N ATOM 0 H GLN A 57 -9.022 -23.852 -0.317 1.00 10.00 H new ATOM 0 HA GLN A 57 -7.609 -24.290 -1.983 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -5.813 -22.393 -0.434 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -5.753 -22.717 -2.155 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -6.897 -20.659 -2.012 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -8.179 -21.827 -2.262 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -9.917 -21.743 -0.877 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -9.895 -20.976 0.714 1.00 10.00 H new ATOM 820 N GLY A 58 -6.536 -26.284 -0.347 1.00 10.00 N ATOM 821 CA GLY A 58 -5.688 -27.429 -0.047 1.00 10.00 C ATOM 822 C GLY A 58 -4.822 -27.296 1.212 1.00 10.00 C ATOM 823 O GLY A 58 -4.204 -28.277 1.614 1.00 10.00 O ATOM 0 H GLY A 58 -7.528 -26.456 -0.181 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -6.321 -28.310 0.060 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -5.034 -27.608 -0.900 1.00 10.00 H new ATOM 827 N ARG A 59 -4.758 -26.123 1.854 1.00 10.00 N ATOM 828 CA ARG A 59 -3.923 -25.920 3.034 1.00 10.00 C ATOM 829 C ARG A 59 -4.509 -26.567 4.291 1.00 10.00 C ATOM 830 O ARG A 59 -3.808 -26.723 5.285 1.00 10.00 O ATOM 831 CB ARG A 59 -3.702 -24.418 3.263 1.00 10.00 C ATOM 832 CG ARG A 59 -2.896 -23.791 2.120 1.00 10.00 C ATOM 833 CD ARG A 59 -2.708 -22.288 2.346 1.00 10.00 C ATOM 834 NE ARG A 59 -3.942 -21.541 2.064 1.00 10.00 N ATOM 835 CZ ARG A 59 -4.015 -20.203 2.081 1.00 10.00 C ATOM 836 NH1 ARG A 59 -3.013 -19.471 2.575 1.00 10.00 N ATOM 837 NH2 ARG A 59 -5.093 -19.576 1.605 1.00 10.00 N ATOM 0 H ARG A 59 -5.282 -25.296 1.569 1.00 10.00 H new ATOM 0 HA ARG A 59 -2.968 -26.410 2.843 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -4.666 -23.916 3.349 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -3.178 -24.265 4.206 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -1.923 -24.277 2.047 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -3.409 -23.959 1.173 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -2.401 -22.110 3.377 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -1.905 -21.921 1.707 1.00 10.00 H new ATOM 0 HE ARG A 59 -4.787 -22.068 1.844 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -2.180 -19.930 2.945 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -3.080 -18.453 2.582 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -5.870 -20.116 1.224 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -5.140 -18.557 1.622 1.00 10.00 H new ATOM 851 N GLY A 60 -5.804 -26.899 4.282 1.00 10.00 N ATOM 852 CA GLY A 60 -6.484 -27.477 5.437 1.00 10.00 C ATOM 853 C GLY A 60 -6.957 -26.410 6.430 1.00 10.00 C ATOM 854 O GLY A 60 -7.839 -26.672 7.245 1.00 10.00 O ATOM 0 H GLY A 60 -6.408 -26.773 3.470 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.341 -28.059 5.097 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -5.810 -28.168 5.944 1.00 10.00 H new ATOM 858 N THR A 61 -6.375 -25.212 6.376 1.00 10.00 N ATOM 859 CA THR A 61 -6.637 -24.104 7.271 1.00 10.00 C ATOM 860 C THR A 61 -7.450 -23.004 6.598 1.00 10.00 C ATOM 861 O THR A 61 -7.060 -22.509 5.542 1.00 10.00 O ATOM 862 CB THR A 61 -5.274 -23.514 7.636 1.00 10.00 C ATOM 863 OG1 THR A 61 -4.465 -23.453 6.475 1.00 10.00 O ATOM 864 CG2 THR A 61 -4.591 -24.332 8.730 1.00 10.00 C ATOM 0 H THR A 61 -5.675 -24.985 5.670 1.00 10.00 H new ATOM 0 HA THR A 61 -7.202 -24.463 8.131 1.00 10.00 H new ATOM 0 HB THR A 61 -5.420 -22.507 8.028 1.00 10.00 H new ATOM 0 HG1 THR A 61 -4.964 -23.020 5.751 1.00 10.00 H new ATOM 0 HG21 THR A 61 -3.625 -23.887 8.967 1.00 10.00 H new ATOM 0 HG22 THR A 61 -5.216 -24.339 9.623 1.00 10.00 H new ATOM 0 HG23 THR A 61 -4.444 -25.354 8.382 1.00 10.00 H new ATOM 872 N LEU A 62 -8.518 -22.559 7.256 1.00 10.00 N ATOM 873 CA LEU A 62 -9.309 -21.425 6.831 1.00 10.00 C ATOM 874 C LEU A 62 -8.574 -20.182 7.311 1.00 10.00 C ATOM 875 O LEU A 62 -8.435 -19.965 8.523 1.00 10.00 O ATOM 876 CB LEU A 62 -10.709 -21.449 7.457 1.00 10.00 C ATOM 877 CG LEU A 62 -11.548 -22.669 7.062 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.845 -22.652 7.878 1.00 10.00 C ATOM 879 CD2 LEU A 62 -11.888 -22.639 5.571 1.00 10.00 C ATOM 0 H LEU A 62 -8.858 -22.991 8.115 1.00 10.00 H new ATOM 0 HA LEU A 62 -9.434 -21.443 5.748 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.611 -21.424 8.542 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -11.242 -20.544 7.165 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.977 -23.575 7.264 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -13.455 -23.514 7.609 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -12.607 -22.693 8.941 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -13.397 -21.737 7.665 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -12.484 -23.515 5.316 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -12.456 -21.736 5.345 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.967 -22.644 4.988 1.00 10.00 H new ATOM 891 N ILE A 63 -8.116 -19.370 6.358 1.00 10.00 N ATOM 892 CA ILE A 63 -7.424 -18.121 6.611 1.00 10.00 C ATOM 893 C ILE A 63 -8.461 -17.078 7.040 1.00 10.00 C ATOM 894 O ILE A 63 -8.732 -16.105 6.343 1.00 10.00 O ATOM 895 CB ILE A 63 -6.618 -17.712 5.363 1.00 10.00 C ATOM 896 CG1 ILE A 63 -5.657 -18.812 4.878 1.00 10.00 C ATOM 897 CG2 ILE A 63 -5.824 -16.422 5.609 1.00 10.00 C ATOM 898 CD1 ILE A 63 -4.576 -19.195 5.890 1.00 10.00 C ATOM 0 H ILE A 63 -8.223 -19.575 5.364 1.00 10.00 H new ATOM 0 HA ILE A 63 -6.700 -18.218 7.420 1.00 10.00 H new ATOM 0 HB ILE A 63 -7.358 -17.545 4.580 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -6.237 -19.701 4.630 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -5.176 -18.478 3.959 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -5.266 -16.161 4.710 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -6.511 -15.613 5.857 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -5.129 -16.574 6.435 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -3.943 -19.976 5.468 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -3.968 -18.320 6.121 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -5.046 -19.562 6.803 1.00 10.00 H new ATOM 910 N LYS A 64 -9.052 -17.287 8.219 1.00 10.00 N ATOM 911 CA LYS A 64 -10.023 -16.368 8.795 1.00 10.00 C ATOM 912 C LYS A 64 -9.339 -15.027 9.111 1.00 10.00 C ATOM 913 O LYS A 64 -9.994 -13.991 9.192 1.00 10.00 O ATOM 914 CB LYS A 64 -10.614 -17.017 10.055 1.00 10.00 C ATOM 915 CG LYS A 64 -11.697 -16.187 10.763 1.00 10.00 C ATOM 916 CD LYS A 64 -12.881 -15.786 9.870 1.00 10.00 C ATOM 917 CE LYS A 64 -13.587 -16.997 9.251 1.00 10.00 C ATOM 918 NZ LYS A 64 -14.794 -16.590 8.510 1.00 10.00 N ATOM 0 H LYS A 64 -8.866 -18.104 8.800 1.00 10.00 H new ATOM 0 HA LYS A 64 -10.832 -16.165 8.093 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -11.037 -17.984 9.783 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -9.805 -17.210 10.760 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -12.076 -16.756 11.612 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -11.239 -15.283 11.164 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -13.598 -15.213 10.458 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -12.526 -15.131 9.074 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -12.903 -17.516 8.580 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -13.860 -17.702 10.036 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -15.251 -17.431 8.102 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -15.456 -16.116 9.158 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -14.528 -15.936 7.747 1.00 10.00 H new ATOM 932 N ASP A 65 -8.018 -15.075 9.310 1.00 10.00 N ATOM 933 CA ASP A 65 -7.117 -13.988 9.657 1.00 10.00 C ATOM 934 C ASP A 65 -6.058 -13.786 8.554 1.00 10.00 C ATOM 935 O ASP A 65 -4.937 -14.262 8.701 1.00 10.00 O ATOM 936 CB ASP A 65 -6.467 -14.359 11.005 1.00 10.00 C ATOM 937 CG ASP A 65 -5.653 -15.664 10.982 1.00 10.00 C ATOM 938 OD1 ASP A 65 -6.084 -16.619 10.294 1.00 10.00 O ATOM 939 OD2 ASP A 65 -4.599 -15.683 11.648 1.00 10.00 O ATOM 0 H ASP A 65 -7.514 -15.958 9.223 1.00 10.00 H new ATOM 0 HA ASP A 65 -7.655 -13.044 9.745 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -5.814 -13.544 11.316 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -7.249 -14.446 11.759 1.00 10.00 H new ATOM 944 N PRO A 66 -6.369 -13.104 7.441 1.00 10.00 N ATOM 945 CA PRO A 66 -5.431 -12.909 6.342 1.00 10.00 C ATOM 946 C PRO A 66 -4.138 -12.177 6.711 1.00 10.00 C ATOM 947 O PRO A 66 -4.169 -11.026 7.148 1.00 10.00 O ATOM 948 CB PRO A 66 -6.200 -12.129 5.267 1.00 10.00 C ATOM 949 CG PRO A 66 -7.665 -12.420 5.585 1.00 10.00 C ATOM 950 CD PRO A 66 -7.656 -12.518 7.109 1.00 10.00 C ATOM 0 HA PRO A 66 -5.087 -13.887 6.004 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -5.984 -11.062 5.316 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -5.934 -12.462 4.264 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -8.323 -11.625 5.233 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -8.006 -13.345 5.120 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -7.773 -11.536 7.568 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.477 -13.138 7.469 1.00 10.00 H new ATOM 958 N CYS A 67 -2.988 -12.818 6.474 1.00 10.00 N ATOM 959 CA CYS A 67 -1.692 -12.178 6.624 1.00 10.00 C ATOM 960 C CYS A 67 -1.552 -11.160 5.492 1.00 10.00 C ATOM 961 O CYS A 67 -1.079 -11.495 4.404 1.00 10.00 O ATOM 962 CB CYS A 67 -0.566 -13.215 6.569 1.00 10.00 C ATOM 963 SG CYS A 67 1.105 -12.510 6.681 1.00 10.00 S ATOM 0 H CYS A 67 -2.938 -13.792 6.174 1.00 10.00 H new ATOM 0 HA CYS A 67 -1.620 -11.681 7.592 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -0.703 -13.926 7.383 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -0.650 -13.776 5.638 1.00 10.00 H new ATOM 968 N ASN A 68 -2.007 -9.932 5.754 1.00 10.00 N ATOM 969 CA ASN A 68 -2.011 -8.798 4.835 1.00 10.00 C ATOM 970 C ASN A 68 -0.744 -8.721 3.981 1.00 10.00 C ATOM 971 O ASN A 68 -0.843 -8.544 2.770 1.00 10.00 O ATOM 972 CB ASN A 68 -2.205 -7.498 5.622 1.00 10.00 C ATOM 973 CG ASN A 68 -2.099 -6.281 4.708 1.00 10.00 C ATOM 974 OD1 ASN A 68 -1.088 -5.589 4.710 1.00 10.00 O ATOM 975 ND2 ASN A 68 -3.134 -6.012 3.918 1.00 10.00 N ATOM 0 H ASN A 68 -2.403 -9.693 6.663 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.842 -8.942 4.145 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -3.180 -7.507 6.110 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -1.455 -7.431 6.410 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -3.101 -5.209 3.289 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -3.961 -6.608 3.941 1.00 10.00 H new ATOM 982 N LYS A 69 0.431 -8.877 4.605 1.00 10.00 N ATOM 983 CA LYS A 69 1.729 -8.840 3.936 1.00 10.00 C ATOM 984 C LYS A 69 1.749 -9.668 2.643 1.00 10.00 C ATOM 985 O LYS A 69 2.388 -9.270 1.672 1.00 10.00 O ATOM 986 CB LYS A 69 2.825 -9.307 4.907 1.00 10.00 C ATOM 987 CG LYS A 69 4.227 -9.118 4.307 1.00 10.00 C ATOM 988 CD LYS A 69 5.317 -9.527 5.302 1.00 10.00 C ATOM 989 CE LYS A 69 6.700 -9.368 4.658 1.00 10.00 C ATOM 990 NZ LYS A 69 7.778 -9.788 5.570 1.00 10.00 N ATOM 0 H LYS A 69 0.502 -9.036 5.610 1.00 10.00 H new ATOM 0 HA LYS A 69 1.922 -7.808 3.642 1.00 10.00 H new ATOM 0 HB2 LYS A 69 2.749 -8.748 5.839 1.00 10.00 H new ATOM 0 HB3 LYS A 69 2.672 -10.358 5.152 1.00 10.00 H new ATOM 0 HG2 LYS A 69 4.319 -9.713 3.398 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.365 -8.075 4.021 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.251 -8.912 6.199 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.168 -10.561 5.613 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.746 -9.960 3.744 1.00 10.00 H new ATOM 0 HE3 LYS A 69 6.851 -8.327 4.372 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.698 -9.666 5.100 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.750 -9.206 6.432 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.648 -10.788 5.823 1.00 10.00 H new ATOM 1004 N CYS A 70 1.055 -10.810 2.631 1.00 10.00 N ATOM 1005 CA CYS A 70 0.953 -11.686 1.469 1.00 10.00 C ATOM 1006 C CYS A 70 -0.516 -11.956 1.139 1.00 10.00 C ATOM 1007 O CYS A 70 -0.835 -12.998 0.574 1.00 10.00 O ATOM 1008 CB CYS A 70 1.706 -12.987 1.765 1.00 10.00 C ATOM 1009 SG CYS A 70 1.111 -13.899 3.210 1.00 10.00 S ATOM 0 H CYS A 70 0.542 -11.154 3.443 1.00 10.00 H new ATOM 0 HA CYS A 70 1.402 -11.208 0.598 1.00 10.00 H new ATOM 0 HB2 CYS A 70 1.639 -13.635 0.891 1.00 10.00 H new ATOM 0 HB3 CYS A 70 2.761 -12.754 1.909 1.00 10.00 H new ATOM 1014 N HIS A 71 -1.412 -11.036 1.512 1.00 10.00 N ATOM 1015 CA HIS A 71 -2.854 -11.132 1.323 1.00 10.00 C ATOM 1016 C HIS A 71 -3.393 -12.534 1.671 1.00 10.00 C ATOM 1017 O HIS A 71 -4.263 -13.070 0.985 1.00 10.00 O ATOM 1018 CB HIS A 71 -3.209 -10.661 -0.097 1.00 10.00 C ATOM 1019 CG HIS A 71 -4.660 -10.286 -0.276 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -5.730 -11.140 -0.163 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -5.155 -9.040 -0.557 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -6.849 -10.426 -0.371 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -6.549 -9.139 -0.614 1.00 10.00 N ATOM 0 H HIS A 71 -1.135 -10.169 1.973 1.00 10.00 H new ATOM 0 HA HIS A 71 -3.359 -10.468 2.025 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -2.589 -9.801 -0.349 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -2.959 -11.452 -0.804 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -5.683 -12.138 0.042 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -4.573 -8.143 -0.707 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -7.850 -10.830 -0.346 1.00 10.00 H new ATOM 1031 N GLY A 72 -2.881 -13.147 2.743 1.00 10.00 N ATOM 1032 CA GLY A 72 -3.320 -14.466 3.169 1.00 10.00 C ATOM 1033 C GLY A 72 -2.950 -15.617 2.222 1.00 10.00 C ATOM 1034 O GLY A 72 -3.342 -16.753 2.483 1.00 10.00 O ATOM 0 H GLY A 72 -2.155 -12.740 3.332 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.894 -14.673 4.151 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -4.403 -14.449 3.289 1.00 10.00 H new ATOM 1038 N HIS A 73 -2.185 -15.375 1.150 1.00 10.00 N ATOM 1039 CA HIS A 73 -1.749 -16.423 0.234 1.00 10.00 C ATOM 1040 C HIS A 73 -0.793 -17.371 0.959 1.00 10.00 C ATOM 1041 O HIS A 73 -0.827 -18.583 0.752 1.00 10.00 O ATOM 1042 CB HIS A 73 -1.054 -15.775 -0.968 1.00 10.00 C ATOM 1043 CG HIS A 73 -0.574 -16.747 -2.015 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -0.728 -18.116 -2.013 1.00 10.00 N ATOM 1045 CD2 HIS A 73 0.112 -16.409 -3.147 1.00 10.00 C ATOM 1046 CE1 HIS A 73 -0.159 -18.586 -3.135 1.00 10.00 C ATOM 1047 NE2 HIS A 73 0.373 -17.586 -3.856 1.00 10.00 N ATOM 0 H HIS A 73 -1.853 -14.444 0.898 1.00 10.00 H new ATOM 0 HA HIS A 73 -2.607 -16.997 -0.116 1.00 10.00 H new ATOM 0 HB2 HIS A 73 -1.744 -15.071 -1.434 1.00 10.00 H new ATOM 0 HB3 HIS A 73 -0.202 -15.197 -0.610 1.00 10.00 H new ATOM 0 HD1 HIS A 73 -1.189 -18.671 -1.292 1.00 10.00 H new ATOM 0 HD2 HIS A 73 0.401 -15.411 -3.442 1.00 10.00 H new ATOM 0 HE1 HIS A 73 -0.133 -19.628 -3.419 1.00 10.00 H new ATOM 1055 N GLY A 74 0.063 -16.781 1.793 1.00 10.00 N ATOM 1056 CA GLY A 74 1.046 -17.449 2.628 1.00 10.00 C ATOM 1057 C GLY A 74 2.446 -17.511 2.024 1.00 10.00 C ATOM 1058 O GLY A 74 3.388 -17.859 2.732 1.00 10.00 O ATOM 0 H GLY A 74 0.086 -15.768 1.906 1.00 10.00 H new ATOM 0 HA2 GLY A 74 1.100 -16.935 3.588 1.00 10.00 H new ATOM 0 HA3 GLY A 74 0.705 -18.464 2.829 1.00 10.00 H new ATOM 1062 N ARG A 75 2.617 -17.137 0.755 1.00 10.00 N ATOM 1063 CA ARG A 75 3.918 -17.110 0.102 1.00 10.00 C ATOM 1064 C ARG A 75 4.004 -15.882 -0.798 1.00 10.00 C ATOM 1065 O ARG A 75 2.971 -15.328 -1.172 1.00 10.00 O ATOM 1066 CB ARG A 75 4.184 -18.427 -0.639 1.00 10.00 C ATOM 1067 CG ARG A 75 3.120 -18.787 -1.686 1.00 10.00 C ATOM 1068 CD ARG A 75 2.526 -20.180 -1.442 1.00 10.00 C ATOM 1069 NE ARG A 75 1.558 -20.167 -0.335 1.00 10.00 N ATOM 1070 CZ ARG A 75 1.718 -20.665 0.899 1.00 10.00 C ATOM 1071 NH1 ARG A 75 2.867 -21.197 1.320 1.00 10.00 N ATOM 1072 NH2 ARG A 75 0.698 -20.602 1.754 1.00 10.00 N ATOM 0 H ARG A 75 1.849 -16.843 0.151 1.00 10.00 H new ATOM 0 HA ARG A 75 4.709 -17.025 0.847 1.00 10.00 H new ATOM 0 HB2 ARG A 75 5.155 -18.364 -1.131 1.00 10.00 H new ATOM 0 HB3 ARG A 75 4.248 -19.235 0.090 1.00 10.00 H new ATOM 0 HG2 ARG A 75 2.323 -18.044 -1.664 1.00 10.00 H new ATOM 0 HG3 ARG A 75 3.563 -18.750 -2.681 1.00 10.00 H new ATOM 0 HD2 ARG A 75 2.037 -20.532 -2.350 1.00 10.00 H new ATOM 0 HD3 ARG A 75 3.327 -20.884 -1.218 1.00 10.00 H new ATOM 0 HE ARG A 75 0.659 -19.727 -0.529 1.00 10.00 H new ATOM 0 HH11 ARG A 75 3.671 -21.237 0.693 1.00 10.00 H new ATOM 0 HH12 ARG A 75 2.942 -21.564 2.269 1.00 10.00 H new ATOM 0 HH21 ARG A 75 -0.185 -20.180 1.465 1.00 10.00 H new ATOM 0 HH22 ARG A 75 0.800 -20.975 2.698 1.00 10.00 H new ATOM 1086 N VAL A 76 5.228 -15.446 -1.106 1.00 10.00 N ATOM 1087 CA VAL A 76 5.506 -14.260 -1.905 1.00 10.00 C ATOM 1088 C VAL A 76 6.568 -14.565 -2.960 1.00 10.00 C ATOM 1089 O VAL A 76 7.457 -15.385 -2.727 1.00 10.00 O ATOM 1090 CB VAL A 76 5.939 -13.093 -0.996 1.00 10.00 C ATOM 1091 CG1 VAL A 76 4.795 -12.674 -0.065 1.00 10.00 C ATOM 1092 CG2 VAL A 76 7.177 -13.423 -0.146 1.00 10.00 C ATOM 0 H VAL A 76 6.073 -15.925 -0.796 1.00 10.00 H new ATOM 0 HA VAL A 76 4.595 -13.962 -2.424 1.00 10.00 H new ATOM 0 HB VAL A 76 6.199 -12.273 -1.665 1.00 10.00 H new ATOM 0 HG11 VAL A 76 5.124 -11.849 0.567 1.00 10.00 H new ATOM 0 HG12 VAL A 76 3.939 -12.356 -0.660 1.00 10.00 H new ATOM 0 HG13 VAL A 76 4.508 -13.519 0.561 1.00 10.00 H new ATOM 0 HG21 VAL A 76 7.433 -12.563 0.473 1.00 10.00 H new ATOM 0 HG22 VAL A 76 6.962 -14.279 0.494 1.00 10.00 H new ATOM 0 HG23 VAL A 76 8.015 -13.661 -0.801 1.00 10.00 H new ATOM 1102 N GLU A 77 6.472 -13.897 -4.117 1.00 10.00 N ATOM 1103 CA GLU A 77 7.404 -14.038 -5.227 1.00 10.00 C ATOM 1104 C GLU A 77 8.699 -13.315 -4.865 1.00 10.00 C ATOM 1105 O GLU A 77 8.951 -12.191 -5.294 1.00 10.00 O ATOM 1106 CB GLU A 77 6.754 -13.509 -6.515 1.00 10.00 C ATOM 1107 CG GLU A 77 7.642 -13.786 -7.735 1.00 10.00 C ATOM 1108 CD GLU A 77 6.933 -13.451 -9.042 1.00 10.00 C ATOM 1109 OE1 GLU A 77 5.982 -14.193 -9.373 1.00 10.00 O ATOM 1110 OE2 GLU A 77 7.356 -12.469 -9.687 1.00 10.00 O ATOM 0 H GLU A 77 5.724 -13.229 -4.305 1.00 10.00 H new ATOM 0 HA GLU A 77 7.650 -15.084 -5.411 1.00 10.00 H new ATOM 0 HB2 GLU A 77 5.781 -13.980 -6.655 1.00 10.00 H new ATOM 0 HB3 GLU A 77 6.579 -12.437 -6.424 1.00 10.00 H new ATOM 0 HG2 GLU A 77 8.558 -13.200 -7.658 1.00 10.00 H new ATOM 0 HG3 GLU A 77 7.935 -14.836 -7.740 1.00 10.00 H new ATOM 1117 N ARG A 78 9.531 -13.973 -4.064 1.00 10.00 N ATOM 1118 CA ARG A 78 10.788 -13.440 -3.571 1.00 10.00 C ATOM 1119 C ARG A 78 11.881 -13.546 -4.642 1.00 10.00 C ATOM 1120 O ARG A 78 12.978 -14.036 -4.387 1.00 10.00 O ATOM 1121 CB ARG A 78 11.117 -14.187 -2.273 1.00 10.00 C ATOM 1122 CG ARG A 78 12.160 -13.445 -1.421 1.00 10.00 C ATOM 1123 CD ARG A 78 12.371 -14.138 -0.072 1.00 10.00 C ATOM 1124 NE ARG A 78 11.136 -14.133 0.721 1.00 10.00 N ATOM 1125 CZ ARG A 78 10.738 -15.070 1.594 1.00 10.00 C ATOM 1126 NH1 ARG A 78 11.475 -16.157 1.853 1.00 10.00 N ATOM 1127 NH2 ARG A 78 9.564 -14.908 2.206 1.00 10.00 N ATOM 0 H ARG A 78 9.340 -14.919 -3.733 1.00 10.00 H new ATOM 0 HA ARG A 78 10.717 -12.375 -3.350 1.00 10.00 H new ATOM 0 HB2 ARG A 78 10.205 -14.320 -1.692 1.00 10.00 H new ATOM 0 HB3 ARG A 78 11.490 -15.183 -2.514 1.00 10.00 H new ATOM 0 HG2 ARG A 78 13.106 -13.398 -1.960 1.00 10.00 H new ATOM 0 HG3 ARG A 78 11.835 -12.418 -1.258 1.00 10.00 H new ATOM 0 HD2 ARG A 78 12.699 -15.165 -0.234 1.00 10.00 H new ATOM 0 HD3 ARG A 78 13.164 -13.633 0.480 1.00 10.00 H new ATOM 0 HE ARG A 78 10.516 -13.333 0.595 1.00 10.00 H new ATOM 0 HH11 ARG A 78 12.369 -16.292 1.380 1.00 10.00 H new ATOM 0 HH12 ARG A 78 11.143 -16.851 2.523 1.00 10.00 H new ATOM 0 HH21 ARG A 78 8.993 -14.087 2.005 1.00 10.00 H new ATOM 0 HH22 ARG A 78 9.237 -15.605 2.875 1.00 10.00 H new ATOM 1141 N SER A 79 11.591 -13.079 -5.859 1.00 10.00 N ATOM 1142 CA SER A 79 12.531 -13.129 -6.968 1.00 10.00 C ATOM 1143 C SER A 79 13.537 -11.987 -6.848 1.00 10.00 C ATOM 1144 O SER A 79 13.569 -11.090 -7.690 1.00 10.00 O ATOM 1145 CB SER A 79 11.763 -13.101 -8.293 1.00 10.00 C ATOM 1146 OG SER A 79 10.843 -14.177 -8.320 1.00 10.00 O ATOM 0 H SER A 79 10.694 -12.656 -6.098 1.00 10.00 H new ATOM 0 HA SER A 79 13.099 -14.059 -6.940 1.00 10.00 H new ATOM 0 HB2 SER A 79 11.236 -12.153 -8.402 1.00 10.00 H new ATOM 0 HB3 SER A 79 12.456 -13.178 -9.131 1.00 10.00 H new ATOM 0 HG SER A 79 10.679 -14.444 -9.249 1.00 10.00 H new TER 1152 SER A 79 HETATM 1153 ZN ZN A 80 2.121 -14.011 5.265 1.00 10.00 ZN HETATM 1154 ZN ZN A 81 -10.811 -27.672 3.696 1.00 10.00 ZN