USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 603 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 58 HIS : no HD1:sc= -4.77! C(o=-7.4!,f=-20!) USER MOD Set 1.2: A 61 SER OG : rot -81:sc= -0.86 USER MOD Set 1.3: A 63 GLN : amide:sc= -1.72 K(o=-7.4,f=-6.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 50:sc= 0.513 USER MOD Single : A 3 SER OG : rot 31:sc= 0.746 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 20 CYS SG : rot -140:sc= 0.0118 USER MOD Single : A 22 THR OG1 : rot -179:sc= 2.1 USER MOD Single : A 23 LYS NZ :NH3+ -138:sc= 0.0799 (180deg=0) USER MOD Single : A 24 CYS SG : rot -1:sc= 0.0761 USER MOD Single : A 26 HIS : no HD1:sc= -3.06! C(o=-3.1!,f=-4!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0751 USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= -0.163 (180deg=-0.824) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.69 X(o=-1.7,f=-1.5) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.358 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.019) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.706 -23.919 19.881 1.00 0.00 N ATOM 2 CA GLY A 1 -13.288 -23.247 18.663 1.00 0.00 C ATOM 3 C GLY A 1 -11.771 -23.045 18.641 1.00 0.00 C ATOM 4 O GLY A 1 -11.248 -22.168 19.326 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.738 -24.044 19.872 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.245 -24.849 19.940 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.434 -23.345 20.705 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.593 -23.834 17.797 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.788 -22.282 18.586 1.00 0.00 H new ATOM 8 N SER A 2 -11.108 -23.872 17.846 1.00 0.00 N ATOM 9 CA SER A 2 -9.662 -23.795 17.726 1.00 0.00 C ATOM 10 C SER A 2 -9.171 -24.785 16.668 1.00 0.00 C ATOM 11 O SER A 2 -8.828 -25.922 16.988 1.00 0.00 O ATOM 12 CB SER A 2 -8.982 -24.073 19.068 1.00 0.00 C ATOM 13 OG SER A 2 -9.377 -25.327 19.617 1.00 0.00 O ATOM 0 H SER A 2 -11.545 -24.598 17.279 1.00 0.00 H new ATOM 0 HA SER A 2 -9.398 -22.783 17.418 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.900 -24.060 18.936 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.227 -23.276 19.770 1.00 0.00 H new ATOM 0 HG SER A 2 -9.280 -26.027 18.938 1.00 0.00 H new ATOM 19 N SER A 3 -9.154 -24.317 15.428 1.00 0.00 N ATOM 20 CA SER A 3 -8.712 -25.148 14.321 1.00 0.00 C ATOM 21 C SER A 3 -8.504 -24.288 13.073 1.00 0.00 C ATOM 22 O SER A 3 -9.468 -23.809 12.477 1.00 0.00 O ATOM 23 CB SER A 3 -9.716 -26.265 14.035 1.00 0.00 C ATOM 24 OG SER A 3 -10.967 -25.756 13.581 1.00 0.00 O ATOM 0 H SER A 3 -9.439 -23.373 15.166 1.00 0.00 H new ATOM 0 HA SER A 3 -7.765 -25.611 14.598 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.304 -26.938 13.283 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.871 -26.853 14.939 1.00 0.00 H new ATOM 0 HG SER A 3 -10.821 -24.926 13.082 1.00 0.00 H new ATOM 30 N GLY A 4 -7.240 -24.118 12.713 1.00 0.00 N ATOM 31 CA GLY A 4 -6.894 -23.324 11.546 1.00 0.00 C ATOM 32 C GLY A 4 -5.461 -23.611 11.093 1.00 0.00 C ATOM 33 O GLY A 4 -4.639 -24.076 11.881 1.00 0.00 O ATOM 0 H GLY A 4 -6.443 -24.517 13.209 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.587 -23.544 10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.001 -22.264 11.778 1.00 0.00 H new ATOM 37 N SER A 5 -5.207 -23.323 9.826 1.00 0.00 N ATOM 38 CA SER A 5 -3.887 -23.544 9.258 1.00 0.00 C ATOM 39 C SER A 5 -3.464 -22.330 8.428 1.00 0.00 C ATOM 40 O SER A 5 -4.284 -21.466 8.124 1.00 0.00 O ATOM 41 CB SER A 5 -3.863 -24.809 8.399 1.00 0.00 C ATOM 42 OG SER A 5 -3.693 -25.986 9.185 1.00 0.00 O ATOM 0 H SER A 5 -5.892 -22.938 9.176 1.00 0.00 H new ATOM 0 HA SER A 5 -3.180 -23.680 10.077 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.793 -24.881 7.834 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.054 -24.738 7.672 1.00 0.00 H new ATOM 0 HG SER A 5 -3.685 -26.772 8.600 1.00 0.00 H new ATOM 48 N SER A 6 -2.184 -22.305 8.086 1.00 0.00 N ATOM 49 CA SER A 6 -1.642 -21.211 7.298 1.00 0.00 C ATOM 50 C SER A 6 -0.287 -21.611 6.711 1.00 0.00 C ATOM 51 O SER A 6 0.756 -21.323 7.296 1.00 0.00 O ATOM 52 CB SER A 6 -1.502 -19.941 8.140 1.00 0.00 C ATOM 53 OG SER A 6 -2.330 -18.887 7.657 1.00 0.00 O ATOM 0 H SER A 6 -1.507 -23.024 8.340 1.00 0.00 H new ATOM 0 HA SER A 6 -2.336 -20.999 6.484 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.763 -20.162 9.175 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.462 -19.616 8.136 1.00 0.00 H new ATOM 0 HG SER A 6 -2.214 -18.095 8.222 1.00 0.00 H new ATOM 59 N GLY A 7 -0.346 -22.268 5.562 1.00 0.00 N ATOM 60 CA GLY A 7 0.863 -22.710 4.889 1.00 0.00 C ATOM 61 C GLY A 7 0.967 -22.099 3.490 1.00 0.00 C ATOM 62 O GLY A 7 0.653 -22.755 2.498 1.00 0.00 O ATOM 0 H GLY A 7 -1.213 -22.505 5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.735 -22.428 5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.866 -23.798 4.816 1.00 0.00 H new ATOM 66 N ARG A 8 1.409 -20.851 3.455 1.00 0.00 N ATOM 67 CA ARG A 8 1.559 -20.144 2.195 1.00 0.00 C ATOM 68 C ARG A 8 2.833 -19.297 2.208 1.00 0.00 C ATOM 69 O ARG A 8 3.171 -18.694 3.226 1.00 0.00 O ATOM 70 CB ARG A 8 0.355 -19.239 1.925 1.00 0.00 C ATOM 71 CG ARG A 8 -0.764 -20.009 1.221 1.00 0.00 C ATOM 72 CD ARG A 8 -2.007 -19.134 1.048 1.00 0.00 C ATOM 73 NE ARG A 8 -3.204 -19.985 0.863 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.463 -19.531 0.914 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.699 -18.232 1.143 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.488 -20.376 0.734 1.00 0.00 N ATOM 0 H ARG A 8 1.668 -20.311 4.280 1.00 0.00 H new ATOM 0 HA ARG A 8 1.624 -20.890 1.403 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.016 -18.831 2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.662 -18.393 1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.417 -20.351 0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.018 -20.898 1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.136 -18.495 1.922 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.882 -18.476 0.188 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.061 -20.979 0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.920 -17.588 1.279 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.658 -17.887 1.182 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.309 -21.365 0.558 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.447 -20.030 0.773 1.00 0.00 H new ATOM 90 N MET A 9 3.505 -19.279 1.067 1.00 0.00 N ATOM 91 CA MET A 9 4.734 -18.516 0.934 1.00 0.00 C ATOM 92 C MET A 9 4.479 -17.182 0.230 1.00 0.00 C ATOM 93 O MET A 9 3.546 -17.063 -0.563 1.00 0.00 O ATOM 94 CB MET A 9 5.756 -19.328 0.136 1.00 0.00 C ATOM 95 CG MET A 9 6.932 -19.751 1.020 1.00 0.00 C ATOM 96 SD MET A 9 8.317 -20.232 0.003 1.00 0.00 S ATOM 97 CE MET A 9 9.052 -21.477 1.050 1.00 0.00 C ATOM 0 H MET A 9 3.222 -19.781 0.225 1.00 0.00 H new ATOM 0 HA MET A 9 5.120 -18.310 1.932 1.00 0.00 H new ATOM 0 HB2 MET A 9 5.276 -20.212 -0.284 1.00 0.00 H new ATOM 0 HB3 MET A 9 6.122 -18.735 -0.703 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.219 -18.929 1.675 1.00 0.00 H new ATOM 0 HG3 MET A 9 6.636 -20.581 1.661 1.00 0.00 H new ATOM 0 HE1 MET A 9 9.937 -21.886 0.563 1.00 0.00 H new ATOM 0 HE2 MET A 9 9.336 -21.030 2.003 1.00 0.00 H new ATOM 0 HE3 MET A 9 8.332 -22.277 1.225 1.00 0.00 H new ATOM 107 N PRO A 10 5.347 -16.186 0.552 1.00 0.00 N ATOM 108 CA PRO A 10 5.224 -14.865 -0.041 1.00 0.00 C ATOM 109 C PRO A 10 5.712 -14.868 -1.491 1.00 0.00 C ATOM 110 O PRO A 10 6.884 -14.602 -1.756 1.00 0.00 O ATOM 111 CB PRO A 10 6.041 -13.953 0.859 1.00 0.00 C ATOM 112 CG PRO A 10 6.965 -14.865 1.649 1.00 0.00 C ATOM 113 CD PRO A 10 6.464 -16.290 1.487 1.00 0.00 C ATOM 0 HA PRO A 10 4.190 -14.524 -0.099 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.611 -13.234 0.271 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.395 -13.380 1.524 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.989 -14.777 1.287 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.974 -14.581 2.701 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.246 -16.943 1.099 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.144 -16.708 2.441 1.00 0.00 H new ATOM 121 N THR A 11 4.790 -15.173 -2.392 1.00 0.00 N ATOM 122 CA THR A 11 5.111 -15.214 -3.808 1.00 0.00 C ATOM 123 C THR A 11 5.607 -13.846 -4.283 1.00 0.00 C ATOM 124 O THR A 11 6.734 -13.721 -4.759 1.00 0.00 O ATOM 125 CB THR A 11 3.873 -15.706 -4.560 1.00 0.00 C ATOM 126 OG1 THR A 11 3.829 -17.102 -4.280 1.00 0.00 O ATOM 127 CG2 THR A 11 4.043 -15.635 -6.079 1.00 0.00 C ATOM 0 H THR A 11 3.820 -15.394 -2.168 1.00 0.00 H new ATOM 0 HA THR A 11 5.927 -15.908 -4.008 1.00 0.00 H new ATOM 0 HB THR A 11 3.009 -15.111 -4.264 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.054 -17.501 -4.728 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.136 -15.996 -6.564 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.228 -14.603 -6.377 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.887 -16.256 -6.380 1.00 0.00 H new ATOM 135 N ARG A 12 4.740 -12.855 -4.136 1.00 0.00 N ATOM 136 CA ARG A 12 5.075 -11.501 -4.543 1.00 0.00 C ATOM 137 C ARG A 12 4.291 -10.486 -3.709 1.00 0.00 C ATOM 138 O ARG A 12 4.881 -9.649 -3.028 1.00 0.00 O ATOM 139 CB ARG A 12 4.767 -11.280 -6.025 1.00 0.00 C ATOM 140 CG ARG A 12 6.055 -11.117 -6.835 1.00 0.00 C ATOM 141 CD ARG A 12 5.810 -10.283 -8.094 1.00 0.00 C ATOM 142 NE ARG A 12 7.038 -9.539 -8.455 1.00 0.00 N ATOM 143 CZ ARG A 12 7.052 -8.437 -9.217 1.00 0.00 C ATOM 144 NH1 ARG A 12 5.904 -7.944 -9.704 1.00 0.00 N ATOM 145 NH2 ARG A 12 8.213 -7.828 -9.493 1.00 0.00 N ATOM 0 H ARG A 12 3.806 -12.963 -3.741 1.00 0.00 H new ATOM 0 HA ARG A 12 6.144 -11.361 -4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.195 -12.124 -6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.145 -10.393 -6.142 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.817 -10.638 -6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.440 -12.098 -7.114 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.512 -10.932 -8.918 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.989 -9.586 -7.925 1.00 0.00 H new ATOM 0 HE ARG A 12 7.929 -9.887 -8.101 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.020 -8.408 -9.494 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.915 -7.105 -10.284 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.086 -8.203 -9.123 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.224 -6.989 -10.073 1.00 0.00 H new ATOM 159 N ARG A 13 2.973 -10.594 -3.790 1.00 0.00 N ATOM 160 CA ARG A 13 2.102 -9.696 -3.051 1.00 0.00 C ATOM 161 C ARG A 13 2.674 -9.427 -1.658 1.00 0.00 C ATOM 162 O ARG A 13 3.357 -10.278 -1.089 1.00 0.00 O ATOM 163 CB ARG A 13 0.695 -10.283 -2.913 1.00 0.00 C ATOM 164 CG ARG A 13 0.711 -11.545 -2.047 1.00 0.00 C ATOM 165 CD ARG A 13 0.606 -11.192 -0.562 1.00 0.00 C ATOM 166 NE ARG A 13 -0.710 -11.615 -0.033 1.00 0.00 N ATOM 167 CZ ARG A 13 -1.055 -12.891 0.189 1.00 0.00 C ATOM 168 NH1 ARG A 13 -0.185 -13.876 -0.070 1.00 0.00 N ATOM 169 NH2 ARG A 13 -2.272 -13.181 0.671 1.00 0.00 N ATOM 0 H ARG A 13 2.487 -11.290 -4.356 1.00 0.00 H new ATOM 0 HA ARG A 13 2.041 -8.761 -3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.030 -9.542 -2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.297 -10.520 -3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.117 -12.195 -2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.630 -12.103 -2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.405 -11.682 -0.006 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.734 -10.118 -0.425 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.397 -10.890 0.176 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.741 -13.655 -0.436 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.448 -14.847 0.099 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.934 -12.431 0.868 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.535 -14.152 0.840 1.00 0.00 H new ATOM 183 N TRP A 14 2.376 -8.241 -1.149 1.00 0.00 N ATOM 184 CA TRP A 14 2.853 -7.850 0.167 1.00 0.00 C ATOM 185 C TRP A 14 1.815 -8.298 1.198 1.00 0.00 C ATOM 186 O TRP A 14 0.618 -8.312 0.914 1.00 0.00 O ATOM 187 CB TRP A 14 3.140 -6.349 0.222 1.00 0.00 C ATOM 188 CG TRP A 14 4.334 -5.912 -0.630 1.00 0.00 C ATOM 189 CD1 TRP A 14 5.615 -6.285 -0.508 1.00 0.00 C ATOM 190 CD2 TRP A 14 4.304 -4.998 -1.747 1.00 0.00 C ATOM 191 NE1 TRP A 14 6.410 -5.682 -1.461 1.00 0.00 N ATOM 192 CE2 TRP A 14 5.588 -4.874 -2.238 1.00 0.00 C ATOM 193 CE3 TRP A 14 3.229 -4.300 -2.324 1.00 0.00 C ATOM 194 CZ2 TRP A 14 5.917 -4.059 -3.328 1.00 0.00 C ATOM 195 CZ3 TRP A 14 3.574 -3.490 -3.412 1.00 0.00 C ATOM 196 CH2 TRP A 14 4.861 -3.354 -3.918 1.00 0.00 C ATOM 0 H TRP A 14 1.810 -7.538 -1.624 1.00 0.00 H new ATOM 0 HA TRP A 14 3.802 -8.336 0.394 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.253 -5.808 -0.108 1.00 0.00 H new ATOM 0 HB3 TRP A 14 3.321 -6.062 1.258 1.00 0.00 H new ATOM 0 HD1 TRP A 14 5.980 -6.971 0.242 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.416 -5.806 -1.574 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.217 -4.382 -1.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 6.930 -3.979 -3.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.784 -2.931 -3.892 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.046 -2.707 -4.763 1.00 0.00 H new ATOM 207 N ALA A 15 2.312 -8.654 2.374 1.00 0.00 N ATOM 208 CA ALA A 15 1.443 -9.102 3.449 1.00 0.00 C ATOM 209 C ALA A 15 1.042 -7.901 4.308 1.00 0.00 C ATOM 210 O ALA A 15 1.614 -6.820 4.177 1.00 0.00 O ATOM 211 CB ALA A 15 2.151 -10.188 4.260 1.00 0.00 C ATOM 0 H ALA A 15 3.305 -8.641 2.606 1.00 0.00 H new ATOM 0 HA ALA A 15 0.530 -9.540 3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.499 -10.524 5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.388 -11.031 3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.072 -9.785 4.682 1.00 0.00 H new ATOM 217 N PRO A 16 0.035 -8.137 5.191 1.00 0.00 N ATOM 218 CA PRO A 16 -0.449 -7.087 6.072 1.00 0.00 C ATOM 219 C PRO A 16 0.538 -6.830 7.213 1.00 0.00 C ATOM 220 O PRO A 16 0.787 -7.712 8.033 1.00 0.00 O ATOM 221 CB PRO A 16 -1.804 -7.575 6.558 1.00 0.00 C ATOM 222 CG PRO A 16 -1.823 -9.074 6.305 1.00 0.00 C ATOM 223 CD PRO A 16 -0.667 -9.404 5.375 1.00 0.00 C ATOM 0 HA PRO A 16 -0.544 -6.125 5.568 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.941 -7.356 7.617 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.613 -7.078 6.022 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.726 -9.621 7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.771 -9.374 5.857 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.013 -10.160 5.810 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.024 -9.800 4.425 1.00 0.00 H new ATOM 231 N GLY A 17 1.073 -5.618 7.228 1.00 0.00 N ATOM 232 CA GLY A 17 2.027 -5.233 8.254 1.00 0.00 C ATOM 233 C GLY A 17 3.342 -4.762 7.631 1.00 0.00 C ATOM 234 O GLY A 17 4.205 -4.227 8.324 1.00 0.00 O ATOM 0 H GLY A 17 0.864 -4.889 6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.605 -4.437 8.867 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.216 -6.079 8.915 1.00 0.00 H new ATOM 238 N THR A 18 3.454 -4.979 6.328 1.00 0.00 N ATOM 239 CA THR A 18 4.650 -4.583 5.604 1.00 0.00 C ATOM 240 C THR A 18 4.559 -3.113 5.189 1.00 0.00 C ATOM 241 O THR A 18 3.492 -2.637 4.804 1.00 0.00 O ATOM 242 CB THR A 18 4.824 -5.538 4.422 1.00 0.00 C ATOM 243 OG1 THR A 18 5.226 -6.766 5.024 1.00 0.00 O ATOM 244 CG2 THR A 18 6.008 -5.157 3.530 1.00 0.00 C ATOM 0 H THR A 18 2.736 -5.424 5.756 1.00 0.00 H new ATOM 0 HA THR A 18 5.537 -4.657 6.234 1.00 0.00 H new ATOM 0 HB THR A 18 3.910 -5.549 3.828 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.359 -7.443 4.328 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.087 -5.867 2.707 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.855 -4.154 3.131 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.927 -5.178 4.116 1.00 0.00 H new ATOM 252 N GLN A 19 5.694 -2.434 5.280 1.00 0.00 N ATOM 253 CA GLN A 19 5.756 -1.028 4.919 1.00 0.00 C ATOM 254 C GLN A 19 6.083 -0.877 3.432 1.00 0.00 C ATOM 255 O GLN A 19 7.135 -1.323 2.976 1.00 0.00 O ATOM 256 CB GLN A 19 6.776 -0.285 5.784 1.00 0.00 C ATOM 257 CG GLN A 19 6.288 -0.168 7.229 1.00 0.00 C ATOM 258 CD GLN A 19 7.204 0.748 8.044 1.00 0.00 C ATOM 259 OE1 GLN A 19 8.273 1.145 7.611 1.00 0.00 O ATOM 260 NE2 GLN A 19 6.725 1.062 9.245 1.00 0.00 N ATOM 0 H GLN A 19 6.578 -2.832 5.599 1.00 0.00 H new ATOM 0 HA GLN A 19 4.779 -0.581 5.103 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.730 -0.811 5.760 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.950 0.710 5.374 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.271 0.223 7.243 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.255 -1.157 7.687 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.822 0.695 9.546 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.261 1.670 9.865 1.00 0.00 H new ATOM 269 N CYS A 20 5.163 -0.245 2.718 1.00 0.00 N ATOM 270 CA CYS A 20 5.340 -0.029 1.292 1.00 0.00 C ATOM 271 C CYS A 20 5.538 1.470 1.055 1.00 0.00 C ATOM 272 O CYS A 20 5.087 2.293 1.850 1.00 0.00 O ATOM 273 CB CYS A 20 4.166 -0.585 0.485 1.00 0.00 C ATOM 274 SG CYS A 20 4.242 -2.413 0.446 1.00 0.00 S ATOM 0 H CYS A 20 4.293 0.124 3.100 1.00 0.00 H new ATOM 0 HA CYS A 20 6.221 -0.570 0.946 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.224 -0.262 0.928 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.193 -0.190 -0.531 1.00 0.00 H new ATOM 0 HG CYS A 20 3.904 -2.836 -0.736 1.00 0.00 H new ATOM 280 N ILE A 21 6.212 1.778 -0.043 1.00 0.00 N ATOM 281 CA ILE A 21 6.474 3.163 -0.396 1.00 0.00 C ATOM 282 C ILE A 21 5.800 3.482 -1.732 1.00 0.00 C ATOM 283 O ILE A 21 5.561 2.585 -2.539 1.00 0.00 O ATOM 284 CB ILE A 21 7.979 3.444 -0.384 1.00 0.00 C ATOM 285 CG1 ILE A 21 8.655 2.756 0.804 1.00 0.00 C ATOM 286 CG2 ILE A 21 8.256 4.948 -0.410 1.00 0.00 C ATOM 287 CD1 ILE A 21 7.922 3.072 2.110 1.00 0.00 C ATOM 0 H ILE A 21 6.585 1.092 -0.700 1.00 0.00 H new ATOM 0 HA ILE A 21 6.042 3.833 0.347 1.00 0.00 H new ATOM 0 HB ILE A 21 8.413 3.022 -1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.671 1.678 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.692 3.083 0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.332 5.120 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.827 5.381 -1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.806 5.416 0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.423 2.571 2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.929 4.149 2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.892 2.722 2.043 1.00 0.00 H new ATOM 299 N THR A 22 5.513 4.761 -1.924 1.00 0.00 N ATOM 300 CA THR A 22 4.872 5.209 -3.148 1.00 0.00 C ATOM 301 C THR A 22 5.917 5.462 -4.236 1.00 0.00 C ATOM 302 O THR A 22 6.997 5.980 -3.956 1.00 0.00 O ATOM 303 CB THR A 22 4.028 6.441 -2.816 1.00 0.00 C ATOM 304 OG1 THR A 22 4.949 7.335 -2.197 1.00 0.00 O ATOM 305 CG2 THR A 22 2.989 6.164 -1.728 1.00 0.00 C ATOM 0 H THR A 22 5.713 5.502 -1.252 1.00 0.00 H new ATOM 0 HA THR A 22 4.209 4.443 -3.551 1.00 0.00 H new ATOM 0 HB THR A 22 3.524 6.790 -3.718 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.482 8.156 -1.936 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.418 7.071 -1.531 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.314 5.376 -2.061 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.494 5.848 -0.815 1.00 0.00 H new ATOM 313 N LYS A 23 5.559 5.086 -5.455 1.00 0.00 N ATOM 314 CA LYS A 23 6.453 5.266 -6.586 1.00 0.00 C ATOM 315 C LYS A 23 6.333 6.702 -7.101 1.00 0.00 C ATOM 316 O LYS A 23 7.286 7.247 -7.657 1.00 0.00 O ATOM 317 CB LYS A 23 6.184 4.205 -7.655 1.00 0.00 C ATOM 318 CG LYS A 23 6.815 2.865 -7.269 1.00 0.00 C ATOM 319 CD LYS A 23 6.670 1.844 -8.399 1.00 0.00 C ATOM 320 CE LYS A 23 5.362 1.062 -8.267 1.00 0.00 C ATOM 321 NZ LYS A 23 5.568 -0.358 -8.632 1.00 0.00 N ATOM 0 H LYS A 23 4.662 4.658 -5.684 1.00 0.00 H new ATOM 0 HA LYS A 23 7.489 5.122 -6.280 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.109 4.080 -7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.586 4.538 -8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.870 3.009 -7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.340 2.482 -6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.697 2.355 -9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.514 1.154 -8.381 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.992 1.131 -7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.601 1.503 -8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.767 -0.688 -9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.448 -0.452 -9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.633 -0.933 -7.768 1.00 0.00 H new ATOM 335 N CYS A 24 5.155 7.273 -6.899 1.00 0.00 N ATOM 336 CA CYS A 24 4.899 8.635 -7.336 1.00 0.00 C ATOM 337 C CYS A 24 4.121 9.355 -6.233 1.00 0.00 C ATOM 338 O CYS A 24 3.772 8.752 -5.219 1.00 0.00 O ATOM 339 CB CYS A 24 4.156 8.669 -8.673 1.00 0.00 C ATOM 340 SG CYS A 24 5.237 8.033 -10.006 1.00 0.00 S ATOM 0 H CYS A 24 4.367 6.817 -6.439 1.00 0.00 H new ATOM 0 HA CYS A 24 5.845 9.149 -7.507 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.250 8.067 -8.610 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.846 9.689 -8.900 1.00 0.00 H new ATOM 0 HG CYS A 24 6.401 7.730 -9.513 1.00 0.00 H new ATOM 346 N GLU A 25 3.873 10.635 -6.467 1.00 0.00 N ATOM 347 CA GLU A 25 3.143 11.444 -5.506 1.00 0.00 C ATOM 348 C GLU A 25 1.687 11.609 -5.948 1.00 0.00 C ATOM 349 O GLU A 25 1.408 11.748 -7.137 1.00 0.00 O ATOM 350 CB GLU A 25 3.814 12.805 -5.312 1.00 0.00 C ATOM 351 CG GLU A 25 3.568 13.715 -6.517 1.00 0.00 C ATOM 352 CD GLU A 25 4.879 14.323 -7.021 1.00 0.00 C ATOM 353 OE1 GLU A 25 5.535 13.652 -7.847 1.00 0.00 O ATOM 354 OE2 GLU A 25 5.194 15.445 -6.570 1.00 0.00 O ATOM 0 H GLU A 25 4.165 11.132 -7.309 1.00 0.00 H new ATOM 0 HA GLU A 25 3.155 10.930 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.429 13.279 -4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.886 12.669 -5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.096 13.145 -7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.876 14.511 -6.241 1.00 0.00 H new ATOM 361 N HIS A 26 0.798 11.588 -4.966 1.00 0.00 N ATOM 362 CA HIS A 26 -0.622 11.734 -5.238 1.00 0.00 C ATOM 363 C HIS A 26 -1.214 12.802 -4.317 1.00 0.00 C ATOM 364 O HIS A 26 -1.401 12.564 -3.124 1.00 0.00 O ATOM 365 CB HIS A 26 -1.338 10.387 -5.122 1.00 0.00 C ATOM 366 CG HIS A 26 -2.463 10.203 -6.112 1.00 0.00 C ATOM 367 ND1 HIS A 26 -2.379 10.619 -7.430 1.00 0.00 N ATOM 368 CD2 HIS A 26 -3.698 9.642 -5.964 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.517 10.319 -8.037 1.00 0.00 C ATOM 370 NE2 HIS A 26 -4.334 9.714 -7.127 1.00 0.00 N ATOM 0 H HIS A 26 1.034 11.472 -3.980 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.767 12.070 -6.265 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.611 9.587 -5.261 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -1.736 10.284 -4.112 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.091 9.212 -5.055 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -3.756 10.518 -9.071 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -5.278 9.373 -7.310 1.00 0.00 H new ATOM 378 N THR A 27 -1.494 13.956 -4.905 1.00 0.00 N ATOM 379 CA THR A 27 -2.062 15.061 -4.152 1.00 0.00 C ATOM 380 C THR A 27 -3.590 15.021 -4.216 1.00 0.00 C ATOM 381 O THR A 27 -4.265 15.306 -3.228 1.00 0.00 O ATOM 382 CB THR A 27 -1.464 16.360 -4.695 1.00 0.00 C ATOM 383 OG1 THR A 27 -1.521 16.203 -6.111 1.00 0.00 O ATOM 384 CG2 THR A 27 0.030 16.488 -4.394 1.00 0.00 C ATOM 0 H THR A 27 -1.338 14.150 -5.894 1.00 0.00 H new ATOM 0 HA THR A 27 -1.811 14.989 -3.094 1.00 0.00 H new ATOM 0 HB THR A 27 -1.994 17.210 -4.266 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.154 17.002 -6.544 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.404 17.427 -4.801 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.187 16.472 -3.315 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.566 15.656 -4.851 1.00 0.00 H new ATOM 392 N ARG A 28 -4.092 14.665 -5.390 1.00 0.00 N ATOM 393 CA ARG A 28 -5.528 14.585 -5.596 1.00 0.00 C ATOM 394 C ARG A 28 -5.928 13.163 -5.995 1.00 0.00 C ATOM 395 O ARG A 28 -5.934 12.824 -7.178 1.00 0.00 O ATOM 396 CB ARG A 28 -5.983 15.559 -6.684 1.00 0.00 C ATOM 397 CG ARG A 28 -5.730 17.008 -6.264 1.00 0.00 C ATOM 398 CD ARG A 28 -6.901 17.555 -5.446 1.00 0.00 C ATOM 399 NE ARG A 28 -8.063 17.801 -6.329 1.00 0.00 N ATOM 400 CZ ARG A 28 -9.255 18.239 -5.898 1.00 0.00 C ATOM 401 NH1 ARG A 28 -9.448 18.480 -4.594 1.00 0.00 N ATOM 402 NH2 ARG A 28 -10.252 18.434 -6.771 1.00 0.00 N ATOM 0 H ARG A 28 -3.530 14.429 -6.208 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.013 14.853 -4.658 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.451 15.348 -7.612 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.045 15.415 -6.885 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.814 17.065 -5.677 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.580 17.626 -7.149 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.172 16.846 -4.664 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.608 18.480 -4.950 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.950 17.627 -7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.688 18.330 -3.930 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.354 18.813 -4.266 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.104 18.249 -7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.159 18.767 -6.444 1.00 0.00 H new ATOM 416 N PRO A 29 -6.260 12.347 -4.959 1.00 0.00 N ATOM 417 CA PRO A 29 -6.660 10.969 -5.189 1.00 0.00 C ATOM 418 C PRO A 29 -8.083 10.898 -5.748 1.00 0.00 C ATOM 419 O PRO A 29 -8.755 11.920 -5.879 1.00 0.00 O ATOM 420 CB PRO A 29 -6.518 10.287 -3.838 1.00 0.00 C ATOM 421 CG PRO A 29 -6.492 11.404 -2.808 1.00 0.00 C ATOM 422 CD PRO A 29 -6.265 12.714 -3.546 1.00 0.00 C ATOM 0 HA PRO A 29 -6.044 10.471 -5.938 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.349 9.606 -3.655 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.605 9.694 -3.794 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.431 11.435 -2.255 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -5.699 11.234 -2.080 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.053 13.434 -3.327 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.322 13.175 -3.253 1.00 0.00 H new ATOM 430 N LYS A 30 -8.501 9.680 -6.062 1.00 0.00 N ATOM 431 CA LYS A 30 -9.831 9.462 -6.604 1.00 0.00 C ATOM 432 C LYS A 30 -10.874 9.837 -5.549 1.00 0.00 C ATOM 433 O LYS A 30 -10.526 10.158 -4.414 1.00 0.00 O ATOM 434 CB LYS A 30 -9.970 8.029 -7.123 1.00 0.00 C ATOM 435 CG LYS A 30 -10.145 8.011 -8.643 1.00 0.00 C ATOM 436 CD LYS A 30 -10.974 6.804 -9.085 1.00 0.00 C ATOM 437 CE LYS A 30 -10.711 6.467 -10.554 1.00 0.00 C ATOM 438 NZ LYS A 30 -9.299 6.069 -10.749 1.00 0.00 N ATOM 0 H LYS A 30 -7.942 8.834 -5.951 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.002 10.107 -7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.087 7.452 -6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.826 7.548 -6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.633 8.930 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.168 7.982 -9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.731 5.943 -8.462 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.034 7.013 -8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.370 5.659 -10.872 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.941 7.330 -11.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.228 5.434 -11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.719 6.916 -10.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.956 5.577 -9.899 1.00 0.00 H new ATOM 452 N PRO A 31 -12.165 9.783 -5.973 1.00 0.00 N ATOM 453 CA PRO A 31 -13.261 10.113 -5.078 1.00 0.00 C ATOM 454 C PRO A 31 -13.507 8.986 -4.073 1.00 0.00 C ATOM 455 O PRO A 31 -14.251 8.049 -4.356 1.00 0.00 O ATOM 456 CB PRO A 31 -14.451 10.367 -5.990 1.00 0.00 C ATOM 457 CG PRO A 31 -14.102 9.719 -7.320 1.00 0.00 C ATOM 458 CD PRO A 31 -12.614 9.407 -7.310 1.00 0.00 C ATOM 0 HA PRO A 31 -13.053 10.989 -4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.362 9.937 -5.573 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -14.629 11.435 -6.111 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.682 8.808 -7.465 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -14.347 10.387 -8.146 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.430 8.351 -7.507 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -12.086 9.972 -8.078 1.00 0.00 H new ATOM 466 N GLY A 32 -12.868 9.115 -2.920 1.00 0.00 N ATOM 467 CA GLY A 32 -13.009 8.119 -1.871 1.00 0.00 C ATOM 468 C GLY A 32 -11.693 7.373 -1.644 1.00 0.00 C ATOM 469 O GLY A 32 -11.690 6.252 -1.137 1.00 0.00 O ATOM 0 H GLY A 32 -12.251 9.894 -2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.322 8.602 -0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.792 7.410 -2.141 1.00 0.00 H new ATOM 473 N GLU A 33 -10.606 8.025 -2.030 1.00 0.00 N ATOM 474 CA GLU A 33 -9.286 7.437 -1.875 1.00 0.00 C ATOM 475 C GLU A 33 -8.435 8.285 -0.927 1.00 0.00 C ATOM 476 O GLU A 33 -8.864 9.352 -0.490 1.00 0.00 O ATOM 477 CB GLU A 33 -8.596 7.272 -3.231 1.00 0.00 C ATOM 478 CG GLU A 33 -9.075 6.002 -3.938 1.00 0.00 C ATOM 479 CD GLU A 33 -8.342 5.806 -5.267 1.00 0.00 C ATOM 480 OE1 GLU A 33 -7.221 6.347 -5.382 1.00 0.00 O ATOM 481 OE2 GLU A 33 -8.919 5.119 -6.137 1.00 0.00 O ATOM 0 H GLU A 33 -10.612 8.955 -2.450 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.401 6.444 -1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.802 8.141 -3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.516 7.229 -3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.907 5.138 -3.295 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.149 6.063 -4.116 1.00 0.00 H new ATOM 488 N LEU A 34 -7.246 7.778 -0.637 1.00 0.00 N ATOM 489 CA LEU A 34 -6.332 8.476 0.251 1.00 0.00 C ATOM 490 C LEU A 34 -5.257 9.179 -0.580 1.00 0.00 C ATOM 491 O LEU A 34 -4.932 8.739 -1.682 1.00 0.00 O ATOM 492 CB LEU A 34 -5.768 7.516 1.301 1.00 0.00 C ATOM 493 CG LEU A 34 -4.456 7.942 1.963 1.00 0.00 C ATOM 494 CD1 LEU A 34 -4.719 8.847 3.169 1.00 0.00 C ATOM 495 CD2 LEU A 34 -3.609 6.724 2.335 1.00 0.00 C ATOM 0 H LEU A 34 -6.894 6.892 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.859 9.249 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.518 7.380 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.616 6.544 0.832 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.883 8.525 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.770 9.135 3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.253 9.740 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.322 8.311 3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.682 7.055 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.163 6.094 3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.377 6.154 1.436 1.00 0.00 H new ATOM 507 N ALA A 35 -4.733 10.260 -0.020 1.00 0.00 N ATOM 508 CA ALA A 35 -3.701 11.027 -0.696 1.00 0.00 C ATOM 509 C ALA A 35 -2.344 10.720 -0.061 1.00 0.00 C ATOM 510 O ALA A 35 -2.278 10.243 1.071 1.00 0.00 O ATOM 511 CB ALA A 35 -4.050 12.516 -0.635 1.00 0.00 C ATOM 0 H ALA A 35 -5.004 10.622 0.894 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.643 10.748 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.276 13.092 -1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.009 12.685 -1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.114 12.832 0.406 1.00 0.00 H new ATOM 517 N PHE A 36 -1.294 11.005 -0.817 1.00 0.00 N ATOM 518 CA PHE A 36 0.058 10.764 -0.342 1.00 0.00 C ATOM 519 C PHE A 36 1.090 11.352 -1.306 1.00 0.00 C ATOM 520 O PHE A 36 0.781 11.618 -2.467 1.00 0.00 O ATOM 521 CB PHE A 36 0.245 9.247 -0.275 1.00 0.00 C ATOM 522 CG PHE A 36 -0.136 8.516 -1.564 1.00 0.00 C ATOM 523 CD1 PHE A 36 0.768 8.399 -2.573 1.00 0.00 C ATOM 524 CD2 PHE A 36 -1.380 7.982 -1.700 1.00 0.00 C ATOM 525 CE1 PHE A 36 0.414 7.720 -3.768 1.00 0.00 C ATOM 526 CE2 PHE A 36 -1.734 7.303 -2.896 1.00 0.00 C ATOM 527 CZ PHE A 36 -0.830 7.186 -3.905 1.00 0.00 C ATOM 0 H PHE A 36 -1.352 11.401 -1.755 1.00 0.00 H new ATOM 0 HA PHE A 36 0.200 11.234 0.631 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.287 9.030 -0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.355 8.853 0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.755 8.823 -2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.098 8.074 -0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.132 7.627 -4.569 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.722 6.879 -3.004 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.099 6.670 -4.815 1.00 0.00 H new ATOM 537 N ARG A 37 2.296 11.538 -0.790 1.00 0.00 N ATOM 538 CA ARG A 37 3.376 12.089 -1.591 1.00 0.00 C ATOM 539 C ARG A 37 4.372 10.990 -1.967 1.00 0.00 C ATOM 540 O ARG A 37 4.278 9.867 -1.475 1.00 0.00 O ATOM 541 CB ARG A 37 4.112 13.197 -0.835 1.00 0.00 C ATOM 542 CG ARG A 37 3.283 14.483 -0.803 1.00 0.00 C ATOM 543 CD ARG A 37 3.127 15.070 -2.207 1.00 0.00 C ATOM 544 NE ARG A 37 2.998 16.542 -2.129 1.00 0.00 N ATOM 545 CZ ARG A 37 4.022 17.375 -1.901 1.00 0.00 C ATOM 546 NH1 ARG A 37 5.258 16.886 -1.728 1.00 0.00 N ATOM 547 NH2 ARG A 37 3.811 18.697 -1.847 1.00 0.00 N ATOM 0 H ARG A 37 2.549 11.317 0.173 1.00 0.00 H new ATOM 0 HA ARG A 37 2.937 12.511 -2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.322 12.870 0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.073 13.391 -1.312 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.300 14.276 -0.380 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.763 15.213 -0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.989 14.804 -2.819 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.248 14.645 -2.692 1.00 0.00 H new ATOM 0 HE ARG A 37 2.071 16.948 -2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.419 15.880 -1.770 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.038 17.520 -1.554 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.871 19.069 -1.979 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.591 19.331 -1.673 1.00 0.00 H new ATOM 561 N LYS A 38 5.304 11.353 -2.837 1.00 0.00 N ATOM 562 CA LYS A 38 6.316 10.412 -3.285 1.00 0.00 C ATOM 563 C LYS A 38 7.251 10.082 -2.119 1.00 0.00 C ATOM 564 O LYS A 38 7.887 10.972 -1.558 1.00 0.00 O ATOM 565 CB LYS A 38 7.040 10.951 -4.520 1.00 0.00 C ATOM 566 CG LYS A 38 7.978 9.896 -5.110 1.00 0.00 C ATOM 567 CD LYS A 38 9.127 10.552 -5.879 1.00 0.00 C ATOM 568 CE LYS A 38 9.393 9.821 -7.196 1.00 0.00 C ATOM 569 NZ LYS A 38 10.761 10.111 -7.682 1.00 0.00 N ATOM 0 H LYS A 38 5.379 12.286 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 38 5.854 9.476 -3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.310 11.254 -5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.610 11.841 -4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.380 9.273 -4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.419 9.239 -5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.885 11.596 -6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.029 10.546 -5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.271 8.747 -7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.662 10.129 -7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.926 9.607 -8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.865 11.134 -7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.455 9.796 -6.974 1.00 0.00 H new ATOM 583 N GLY A 39 7.304 8.799 -1.790 1.00 0.00 N ATOM 584 CA GLY A 39 8.150 8.341 -0.701 1.00 0.00 C ATOM 585 C GLY A 39 7.398 8.376 0.631 1.00 0.00 C ATOM 586 O GLY A 39 7.934 8.832 1.639 1.00 0.00 O ATOM 0 H GLY A 39 6.775 8.063 -2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.491 7.326 -0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.039 8.969 -0.637 1.00 0.00 H new ATOM 590 N ASP A 40 6.167 7.887 0.591 1.00 0.00 N ATOM 591 CA ASP A 40 5.335 7.857 1.782 1.00 0.00 C ATOM 592 C ASP A 40 5.354 6.447 2.376 1.00 0.00 C ATOM 593 O ASP A 40 5.284 5.461 1.644 1.00 0.00 O ATOM 594 CB ASP A 40 3.884 8.211 1.450 1.00 0.00 C ATOM 595 CG ASP A 40 2.836 7.549 2.346 1.00 0.00 C ATOM 596 OD1 ASP A 40 3.100 7.467 3.565 1.00 0.00 O ATOM 597 OD2 ASP A 40 1.793 7.139 1.792 1.00 0.00 O ATOM 0 H ASP A 40 5.726 7.509 -0.247 1.00 0.00 H new ATOM 0 HA ASP A 40 5.731 8.586 2.489 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.765 9.293 1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.685 7.931 0.416 1.00 0.00 H new ATOM 602 N VAL A 41 5.447 6.397 3.697 1.00 0.00 N ATOM 603 CA VAL A 41 5.475 5.124 4.397 1.00 0.00 C ATOM 604 C VAL A 41 4.066 4.784 4.885 1.00 0.00 C ATOM 605 O VAL A 41 3.445 5.571 5.598 1.00 0.00 O ATOM 606 CB VAL A 41 6.504 5.172 5.529 1.00 0.00 C ATOM 607 CG1 VAL A 41 6.333 3.983 6.476 1.00 0.00 C ATOM 608 CG2 VAL A 41 7.928 5.231 4.973 1.00 0.00 C ATOM 0 H VAL A 41 5.504 7.217 4.301 1.00 0.00 H new ATOM 0 HA VAL A 41 5.788 4.325 3.724 1.00 0.00 H new ATOM 0 HB VAL A 41 6.330 6.083 6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.076 4.041 7.271 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.334 4.005 6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.467 3.054 5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.640 5.264 5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.118 4.346 4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.042 6.124 4.359 1.00 0.00 H new ATOM 618 N VAL A 42 3.601 3.610 4.481 1.00 0.00 N ATOM 619 CA VAL A 42 2.277 3.156 4.868 1.00 0.00 C ATOM 620 C VAL A 42 2.349 1.689 5.295 1.00 0.00 C ATOM 621 O VAL A 42 3.290 0.981 4.938 1.00 0.00 O ATOM 622 CB VAL A 42 1.286 3.399 3.728 1.00 0.00 C ATOM 623 CG1 VAL A 42 1.197 4.888 3.387 1.00 0.00 C ATOM 624 CG2 VAL A 42 1.659 2.575 2.493 1.00 0.00 C ATOM 0 H VAL A 42 4.119 2.960 3.889 1.00 0.00 H new ATOM 0 HA VAL A 42 1.914 3.726 5.723 1.00 0.00 H new ATOM 0 HB VAL A 42 0.302 3.073 4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.486 5.033 2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.863 5.443 4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.178 5.250 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.939 2.766 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.656 2.857 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.648 1.515 2.746 1.00 0.00 H new ATOM 634 N THR A 43 1.345 1.275 6.053 1.00 0.00 N ATOM 635 CA THR A 43 1.283 -0.095 6.532 1.00 0.00 C ATOM 636 C THR A 43 0.180 -0.866 5.803 1.00 0.00 C ATOM 637 O THR A 43 -0.954 -0.399 5.715 1.00 0.00 O ATOM 638 CB THR A 43 1.096 -0.057 8.050 1.00 0.00 C ATOM 639 OG1 THR A 43 2.353 0.399 8.543 1.00 0.00 O ATOM 640 CG2 THR A 43 0.943 -1.454 8.656 1.00 0.00 C ATOM 0 H THR A 43 0.567 1.865 6.348 1.00 0.00 H new ATOM 0 HA THR A 43 2.207 -0.631 6.317 1.00 0.00 H new ATOM 0 HB THR A 43 0.219 0.542 8.293 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.320 0.455 9.521 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.813 -1.370 9.735 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.072 -1.945 8.223 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.835 -2.043 8.442 1.00 0.00 H new ATOM 648 N ILE A 44 0.552 -2.033 5.299 1.00 0.00 N ATOM 649 CA ILE A 44 -0.391 -2.873 4.581 1.00 0.00 C ATOM 650 C ILE A 44 -1.472 -3.360 5.547 1.00 0.00 C ATOM 651 O ILE A 44 -1.183 -4.098 6.488 1.00 0.00 O ATOM 652 CB ILE A 44 0.342 -4.005 3.857 1.00 0.00 C ATOM 653 CG1 ILE A 44 1.418 -3.451 2.921 1.00 0.00 C ATOM 654 CG2 ILE A 44 -0.644 -4.915 3.122 1.00 0.00 C ATOM 655 CD1 ILE A 44 0.841 -3.159 1.534 1.00 0.00 C ATOM 0 H ILE A 44 1.494 -2.417 5.374 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.894 -2.300 3.802 1.00 0.00 H new ATOM 0 HB ILE A 44 0.849 -4.616 4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.838 -2.538 3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.235 -4.168 2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.097 -5.711 2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.340 -5.352 3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.199 -4.332 2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.627 -2.766 0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.444 -4.079 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.041 -2.424 1.620 1.00 0.00 H new ATOM 667 N LEU A 45 -2.696 -2.927 5.282 1.00 0.00 N ATOM 668 CA LEU A 45 -3.823 -3.309 6.117 1.00 0.00 C ATOM 669 C LEU A 45 -4.390 -4.641 5.621 1.00 0.00 C ATOM 670 O LEU A 45 -4.564 -5.575 6.403 1.00 0.00 O ATOM 671 CB LEU A 45 -4.856 -2.183 6.171 1.00 0.00 C ATOM 672 CG LEU A 45 -4.313 -0.788 6.487 1.00 0.00 C ATOM 673 CD1 LEU A 45 -5.248 0.299 5.953 1.00 0.00 C ATOM 674 CD2 LEU A 45 -4.047 -0.630 7.986 1.00 0.00 C ATOM 0 H LEU A 45 -2.932 -2.315 4.501 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.500 -3.463 7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.370 -2.142 5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.604 -2.439 6.922 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.358 -0.670 5.976 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.838 1.281 6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.343 0.198 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.230 0.194 6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.662 0.370 8.184 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.976 -0.777 8.538 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.314 -1.371 8.306 1.00 0.00 H new ATOM 686 N GLU A 46 -4.662 -4.687 4.326 1.00 0.00 N ATOM 687 CA GLU A 46 -5.206 -5.889 3.717 1.00 0.00 C ATOM 688 C GLU A 46 -4.599 -6.102 2.329 1.00 0.00 C ATOM 689 O GLU A 46 -4.415 -5.148 1.575 1.00 0.00 O ATOM 690 CB GLU A 46 -6.733 -5.824 3.644 1.00 0.00 C ATOM 691 CG GLU A 46 -7.361 -7.132 4.128 1.00 0.00 C ATOM 692 CD GLU A 46 -8.263 -6.891 5.341 1.00 0.00 C ATOM 693 OE1 GLU A 46 -9.404 -6.433 5.118 1.00 0.00 O ATOM 694 OE2 GLU A 46 -7.790 -7.171 6.464 1.00 0.00 O ATOM 0 H GLU A 46 -4.516 -3.911 3.681 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.941 -6.742 4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.095 -4.996 4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.043 -5.625 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.941 -7.581 3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.576 -7.842 4.389 1.00 0.00 H new ATOM 701 N ALA A 47 -4.305 -7.360 2.033 1.00 0.00 N ATOM 702 CA ALA A 47 -3.723 -7.710 0.749 1.00 0.00 C ATOM 703 C ALA A 47 -4.835 -8.139 -0.210 1.00 0.00 C ATOM 704 O ALA A 47 -5.516 -9.135 0.030 1.00 0.00 O ATOM 705 CB ALA A 47 -2.670 -8.802 0.947 1.00 0.00 C ATOM 0 H ALA A 47 -4.459 -8.149 2.661 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.221 -6.849 0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.233 -9.065 -0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.888 -8.437 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.138 -9.683 1.386 1.00 0.00 H new ATOM 711 N CYS A 48 -4.984 -7.367 -1.276 1.00 0.00 N ATOM 712 CA CYS A 48 -6.002 -7.655 -2.272 1.00 0.00 C ATOM 713 C CYS A 48 -7.375 -7.444 -1.631 1.00 0.00 C ATOM 714 O CYS A 48 -7.707 -8.092 -0.640 1.00 0.00 O ATOM 715 CB CYS A 48 -5.849 -9.065 -2.845 1.00 0.00 C ATOM 716 SG CYS A 48 -6.793 -9.212 -4.406 1.00 0.00 S ATOM 0 H CYS A 48 -4.417 -6.542 -1.472 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.890 -6.976 -3.118 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.796 -9.281 -3.026 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.206 -9.800 -2.124 1.00 0.00 H new ATOM 0 HG CYS A 48 -6.655 -10.412 -4.885 1.00 0.00 H new ATOM 722 N GLU A 49 -8.136 -6.535 -2.224 1.00 0.00 N ATOM 723 CA GLU A 49 -9.465 -6.231 -1.723 1.00 0.00 C ATOM 724 C GLU A 49 -10.136 -5.175 -2.604 1.00 0.00 C ATOM 725 O GLU A 49 -10.483 -4.095 -2.128 1.00 0.00 O ATOM 726 CB GLU A 49 -9.410 -5.774 -0.264 1.00 0.00 C ATOM 727 CG GLU A 49 -10.628 -6.275 0.514 1.00 0.00 C ATOM 728 CD GLU A 49 -11.848 -5.388 0.256 1.00 0.00 C ATOM 729 OE1 GLU A 49 -12.539 -5.653 -0.751 1.00 0.00 O ATOM 730 OE2 GLU A 49 -12.061 -4.465 1.071 1.00 0.00 O ATOM 0 H GLU A 49 -7.857 -6.000 -3.046 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.063 -7.141 -1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.498 -6.146 0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.369 -4.686 -0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.852 -7.301 0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.402 -6.288 1.580 1.00 0.00 H new ATOM 737 N ASN A 50 -10.297 -5.524 -3.872 1.00 0.00 N ATOM 738 CA ASN A 50 -10.919 -4.619 -4.823 1.00 0.00 C ATOM 739 C ASN A 50 -10.678 -5.135 -6.243 1.00 0.00 C ATOM 740 O ASN A 50 -11.596 -5.639 -6.889 1.00 0.00 O ATOM 741 CB ASN A 50 -10.319 -3.215 -4.722 1.00 0.00 C ATOM 742 CG ASN A 50 -11.335 -2.225 -4.149 1.00 0.00 C ATOM 743 OD1 ASN A 50 -12.172 -2.561 -3.327 1.00 0.00 O ATOM 744 ND2 ASN A 50 -11.215 -0.990 -4.627 1.00 0.00 N ATOM 0 H ASN A 50 -10.008 -6.421 -4.263 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.984 -4.572 -4.597 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.432 -3.239 -4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.997 -2.881 -5.708 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.846 -0.256 -4.307 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.492 -0.777 -5.314 1.00 0.00 H new ATOM 751 N LYS A 51 -9.439 -4.991 -6.689 1.00 0.00 N ATOM 752 CA LYS A 51 -9.065 -5.436 -8.020 1.00 0.00 C ATOM 753 C LYS A 51 -7.723 -4.810 -8.405 1.00 0.00 C ATOM 754 O LYS A 51 -7.669 -3.921 -9.253 1.00 0.00 O ATOM 755 CB LYS A 51 -10.189 -5.144 -9.017 1.00 0.00 C ATOM 756 CG LYS A 51 -10.996 -6.408 -9.320 1.00 0.00 C ATOM 757 CD LYS A 51 -10.483 -7.096 -10.586 1.00 0.00 C ATOM 758 CE LYS A 51 -11.521 -8.078 -11.135 1.00 0.00 C ATOM 759 NZ LYS A 51 -11.012 -8.740 -12.357 1.00 0.00 N ATOM 0 H LYS A 51 -8.680 -4.572 -6.151 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.928 -6.517 -8.036 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.848 -4.376 -8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.767 -4.748 -9.941 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.932 -7.096 -8.477 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.048 -6.151 -9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.250 -6.347 -11.343 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.556 -7.626 -10.366 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.757 -8.827 -10.379 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.447 -7.549 -11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.728 -9.403 -12.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.809 -8.022 -13.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.140 -9.261 -12.132 1.00 0.00 H new ATOM 773 N SER A 52 -6.673 -5.299 -7.763 1.00 0.00 N ATOM 774 CA SER A 52 -5.334 -4.799 -8.027 1.00 0.00 C ATOM 775 C SER A 52 -5.085 -3.521 -7.224 1.00 0.00 C ATOM 776 O SER A 52 -4.619 -2.522 -7.769 1.00 0.00 O ATOM 777 CB SER A 52 -5.130 -4.535 -9.520 1.00 0.00 C ATOM 778 OG SER A 52 -3.763 -4.664 -9.903 1.00 0.00 O ATOM 0 H SER A 52 -6.722 -6.037 -7.060 1.00 0.00 H new ATOM 0 HA SER A 52 -4.617 -5.560 -7.718 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.736 -5.233 -10.098 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.481 -3.532 -9.762 1.00 0.00 H new ATOM 0 HG SER A 52 -3.674 -4.489 -10.863 1.00 0.00 H new ATOM 784 N TRP A 53 -5.407 -3.594 -5.941 1.00 0.00 N ATOM 785 CA TRP A 53 -5.224 -2.456 -5.057 1.00 0.00 C ATOM 786 C TRP A 53 -4.761 -2.983 -3.697 1.00 0.00 C ATOM 787 O TRP A 53 -4.710 -4.192 -3.481 1.00 0.00 O ATOM 788 CB TRP A 53 -6.502 -1.618 -4.970 1.00 0.00 C ATOM 789 CG TRP A 53 -6.808 -0.817 -6.237 1.00 0.00 C ATOM 790 CD1 TRP A 53 -7.083 -1.284 -7.462 1.00 0.00 C ATOM 791 CD2 TRP A 53 -6.860 0.621 -6.353 1.00 0.00 C ATOM 792 NE1 TRP A 53 -7.307 -0.257 -8.356 1.00 0.00 N ATOM 793 CE2 TRP A 53 -7.167 0.938 -7.660 1.00 0.00 C ATOM 794 CE3 TRP A 53 -6.655 1.620 -5.385 1.00 0.00 C ATOM 795 CZ2 TRP A 53 -7.296 2.254 -8.120 1.00 0.00 C ATOM 796 CZ3 TRP A 53 -6.787 2.930 -5.860 1.00 0.00 C ATOM 797 CH2 TRP A 53 -7.096 3.266 -7.173 1.00 0.00 C ATOM 0 H TRP A 53 -5.794 -4.424 -5.492 1.00 0.00 H new ATOM 0 HA TRP A 53 -4.461 -1.783 -5.448 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.343 -2.278 -4.758 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.416 -0.930 -4.129 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.124 -2.332 -7.718 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.534 -0.356 -9.346 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.415 1.394 -4.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.537 2.477 -9.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.638 3.736 -5.157 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -7.181 4.303 -7.462 1.00 0.00 H new ATOM 808 N TYR A 54 -4.436 -2.048 -2.816 1.00 0.00 N ATOM 809 CA TYR A 54 -3.979 -2.403 -1.483 1.00 0.00 C ATOM 810 C TYR A 54 -4.315 -1.301 -0.476 1.00 0.00 C ATOM 811 O TYR A 54 -3.900 -0.156 -0.642 1.00 0.00 O ATOM 812 CB TYR A 54 -2.458 -2.540 -1.581 1.00 0.00 C ATOM 813 CG TYR A 54 -1.989 -3.897 -2.111 1.00 0.00 C ATOM 814 CD1 TYR A 54 -1.891 -4.975 -1.256 1.00 0.00 C ATOM 815 CD2 TYR A 54 -1.662 -4.042 -3.444 1.00 0.00 C ATOM 816 CE1 TYR A 54 -1.449 -6.252 -1.754 1.00 0.00 C ATOM 817 CE2 TYR A 54 -1.221 -5.318 -3.943 1.00 0.00 C ATOM 818 CZ TYR A 54 -1.136 -6.360 -3.073 1.00 0.00 C ATOM 819 OH TYR A 54 -0.718 -7.566 -3.544 1.00 0.00 O ATOM 0 H TYR A 54 -4.480 -1.046 -2.999 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.461 -3.320 -1.144 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.074 -1.755 -2.232 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.024 -2.377 -0.594 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.146 -4.861 -0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.737 -3.198 -4.113 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.368 -7.104 -1.095 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.964 -5.445 -4.984 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.531 -7.495 -4.503 1.00 0.00 H new ATOM 829 N ARG A 55 -5.065 -1.687 0.546 1.00 0.00 N ATOM 830 CA ARG A 55 -5.462 -0.746 1.579 1.00 0.00 C ATOM 831 C ARG A 55 -4.360 -0.617 2.632 1.00 0.00 C ATOM 832 O ARG A 55 -4.122 -1.545 3.404 1.00 0.00 O ATOM 833 CB ARG A 55 -6.759 -1.190 2.260 1.00 0.00 C ATOM 834 CG ARG A 55 -7.332 -0.071 3.132 1.00 0.00 C ATOM 835 CD ARG A 55 -8.332 -0.625 4.148 1.00 0.00 C ATOM 836 NE ARG A 55 -9.208 0.461 4.640 1.00 0.00 N ATOM 837 CZ ARG A 55 -10.101 1.109 3.880 1.00 0.00 C ATOM 838 NH1 ARG A 55 -10.242 0.784 2.587 1.00 0.00 N ATOM 839 NH2 ARG A 55 -10.854 2.082 4.411 1.00 0.00 N ATOM 0 H ARG A 55 -5.408 -2.638 0.680 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.628 0.220 1.101 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.490 -1.478 1.505 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.569 -2.072 2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.522 0.439 3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.822 0.671 2.502 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.934 -1.409 3.688 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.800 -1.081 4.983 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.127 0.734 5.620 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.669 0.043 2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.922 1.277 2.008 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.748 2.330 5.395 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.534 2.575 3.831 1.00 0.00 H new ATOM 853 N VAL A 56 -3.715 0.541 2.630 1.00 0.00 N ATOM 854 CA VAL A 56 -2.643 0.803 3.575 1.00 0.00 C ATOM 855 C VAL A 56 -3.072 1.919 4.529 1.00 0.00 C ATOM 856 O VAL A 56 -4.082 2.583 4.299 1.00 0.00 O ATOM 857 CB VAL A 56 -1.350 1.123 2.823 1.00 0.00 C ATOM 858 CG1 VAL A 56 -1.035 0.041 1.788 1.00 0.00 C ATOM 859 CG2 VAL A 56 -1.423 2.504 2.169 1.00 0.00 C ATOM 0 H VAL A 56 -3.915 1.308 1.988 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.441 -0.081 4.179 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.536 1.139 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.111 0.293 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.918 -0.920 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.851 -0.022 1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.491 2.706 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.253 2.529 1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.577 3.262 2.937 1.00 0.00 H new ATOM 869 N LYS A 57 -2.283 2.092 5.579 1.00 0.00 N ATOM 870 CA LYS A 57 -2.569 3.117 6.569 1.00 0.00 C ATOM 871 C LYS A 57 -1.411 4.116 6.610 1.00 0.00 C ATOM 872 O LYS A 57 -0.266 3.736 6.852 1.00 0.00 O ATOM 873 CB LYS A 57 -2.880 2.480 7.925 1.00 0.00 C ATOM 874 CG LYS A 57 -3.152 3.551 8.984 1.00 0.00 C ATOM 875 CD LYS A 57 -2.285 3.327 10.225 1.00 0.00 C ATOM 876 CE LYS A 57 -1.840 4.659 10.830 1.00 0.00 C ATOM 877 NZ LYS A 57 -1.977 4.630 12.304 1.00 0.00 N ATOM 0 H LYS A 57 -1.446 1.540 5.766 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.463 3.675 6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.747 1.826 7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.042 1.857 8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.950 4.538 8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.205 3.532 9.264 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.845 2.756 10.966 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.410 2.734 9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.804 4.860 10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.440 5.471 10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.671 5.542 12.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.971 4.459 12.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.385 3.868 12.693 1.00 0.00 H new ATOM 891 N HIS A 58 -1.749 5.375 6.371 1.00 0.00 N ATOM 892 CA HIS A 58 -0.752 6.432 6.378 1.00 0.00 C ATOM 893 C HIS A 58 -0.205 6.612 7.795 1.00 0.00 C ATOM 894 O HIS A 58 -0.955 6.542 8.768 1.00 0.00 O ATOM 895 CB HIS A 58 -1.326 7.725 5.796 1.00 0.00 C ATOM 896 CG HIS A 58 -0.308 8.585 5.087 1.00 0.00 C ATOM 897 ND1 HIS A 58 0.167 9.773 5.615 1.00 0.00 N ATOM 898 CD2 HIS A 58 0.321 8.417 3.888 1.00 0.00 C ATOM 899 CE1 HIS A 58 1.042 10.289 4.763 1.00 0.00 C ATOM 900 NE2 HIS A 58 1.135 9.447 3.694 1.00 0.00 N ATOM 0 H HIS A 58 -2.699 5.687 6.171 1.00 0.00 H new ATOM 0 HA HIS A 58 0.083 6.153 5.736 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.124 7.474 5.097 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -1.778 8.304 6.601 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.180 7.587 3.212 1.00 0.00 H new ATOM 0 HE1 HIS A 58 1.585 11.213 4.893 1.00 0.00 H new ATOM 0 HE2 HIS A 58 1.732 9.586 2.879 1.00 0.00 H new ATOM 908 N HIS A 59 1.098 6.840 7.867 1.00 0.00 N ATOM 909 CA HIS A 59 1.755 7.031 9.150 1.00 0.00 C ATOM 910 C HIS A 59 1.694 8.508 9.543 1.00 0.00 C ATOM 911 O HIS A 59 1.201 8.848 10.618 1.00 0.00 O ATOM 912 CB HIS A 59 3.184 6.485 9.115 1.00 0.00 C ATOM 913 CG HIS A 59 3.359 5.175 9.845 1.00 0.00 C ATOM 914 ND1 HIS A 59 4.557 4.794 10.424 1.00 0.00 N ATOM 915 CD2 HIS A 59 2.477 4.163 10.084 1.00 0.00 C ATOM 916 CE1 HIS A 59 4.391 3.604 10.983 1.00 0.00 C ATOM 917 NE2 HIS A 59 3.102 3.215 10.771 1.00 0.00 N ATOM 0 H HIS A 59 1.717 6.897 7.058 1.00 0.00 H new ATOM 0 HA HIS A 59 1.230 6.464 9.919 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.486 6.353 8.076 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.855 7.225 9.551 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.445 4.137 9.768 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.145 3.041 11.513 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.686 2.339 11.088 1.00 0.00 H new ATOM 925 N THR A 60 2.201 9.346 8.652 1.00 0.00 N ATOM 926 CA THR A 60 2.210 10.779 8.892 1.00 0.00 C ATOM 927 C THR A 60 0.826 11.254 9.339 1.00 0.00 C ATOM 928 O THR A 60 0.660 11.722 10.464 1.00 0.00 O ATOM 929 CB THR A 60 2.708 11.469 7.620 1.00 0.00 C ATOM 930 OG1 THR A 60 4.127 11.426 7.734 1.00 0.00 O ATOM 931 CG2 THR A 60 2.381 12.963 7.598 1.00 0.00 C ATOM 0 H THR A 60 2.609 9.060 7.762 1.00 0.00 H new ATOM 0 HA THR A 60 2.887 11.039 9.706 1.00 0.00 H new ATOM 0 HB THR A 60 2.264 10.987 6.749 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.531 11.851 6.949 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.756 13.404 6.674 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.301 13.100 7.653 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.852 13.451 8.451 1.00 0.00 H new ATOM 939 N SER A 61 -0.132 11.116 8.434 1.00 0.00 N ATOM 940 CA SER A 61 -1.497 11.525 8.721 1.00 0.00 C ATOM 941 C SER A 61 -2.121 10.579 9.749 1.00 0.00 C ATOM 942 O SER A 61 -2.390 10.977 10.881 1.00 0.00 O ATOM 943 CB SER A 61 -2.342 11.556 7.447 1.00 0.00 C ATOM 944 OG SER A 61 -2.025 10.479 6.569 1.00 0.00 O ATOM 0 H SER A 61 0.010 10.727 7.502 1.00 0.00 H new ATOM 0 HA SER A 61 -1.472 12.534 9.133 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.398 11.509 7.712 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.185 12.503 6.931 1.00 0.00 H new ATOM 0 HG SER A 61 -1.223 10.703 6.053 1.00 0.00 H new ATOM 950 N GLY A 62 -2.334 9.344 9.317 1.00 0.00 N ATOM 951 CA GLY A 62 -2.921 8.338 10.186 1.00 0.00 C ATOM 952 C GLY A 62 -4.308 7.926 9.687 1.00 0.00 C ATOM 953 O GLY A 62 -5.140 7.465 10.466 1.00 0.00 O ATOM 0 H GLY A 62 -2.111 9.018 8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.271 7.464 10.228 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.997 8.728 11.201 1.00 0.00 H new ATOM 957 N GLN A 63 -4.512 8.105 8.390 1.00 0.00 N ATOM 958 CA GLN A 63 -5.783 7.757 7.778 1.00 0.00 C ATOM 959 C GLN A 63 -5.671 6.418 7.046 1.00 0.00 C ATOM 960 O GLN A 63 -4.615 5.787 7.059 1.00 0.00 O ATOM 961 CB GLN A 63 -6.256 8.862 6.830 1.00 0.00 C ATOM 962 CG GLN A 63 -6.402 10.193 7.570 1.00 0.00 C ATOM 963 CD GLN A 63 -6.198 11.374 6.618 1.00 0.00 C ATOM 964 OE1 GLN A 63 -7.052 12.231 6.459 1.00 0.00 O ATOM 965 NE2 GLN A 63 -5.023 11.371 5.997 1.00 0.00 N ATOM 0 H GLN A 63 -3.819 8.486 7.746 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.528 7.656 8.567 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.545 8.973 6.011 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.211 8.582 6.387 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.391 10.254 8.025 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.675 10.245 8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.353 10.623 6.176 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.791 12.117 5.341 1.00 0.00 H new ATOM 974 N GLU A 64 -6.774 6.024 6.427 1.00 0.00 N ATOM 975 CA GLU A 64 -6.813 4.772 5.691 1.00 0.00 C ATOM 976 C GLU A 64 -7.558 4.956 4.368 1.00 0.00 C ATOM 977 O GLU A 64 -8.678 5.465 4.348 1.00 0.00 O ATOM 978 CB GLU A 64 -7.451 3.663 6.530 1.00 0.00 C ATOM 979 CG GLU A 64 -6.646 3.409 7.807 1.00 0.00 C ATOM 980 CD GLU A 64 -7.541 3.490 9.045 1.00 0.00 C ATOM 981 OE1 GLU A 64 -8.149 4.565 9.236 1.00 0.00 O ATOM 982 OE2 GLU A 64 -7.598 2.475 9.772 1.00 0.00 O ATOM 0 H GLU A 64 -7.648 6.550 6.420 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.789 4.472 5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.473 3.940 6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.509 2.746 5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.178 2.426 7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.843 4.141 7.886 1.00 0.00 H new ATOM 989 N GLY A 65 -6.907 4.532 3.295 1.00 0.00 N ATOM 990 CA GLY A 65 -7.494 4.644 1.970 1.00 0.00 C ATOM 991 C GLY A 65 -7.012 3.513 1.060 1.00 0.00 C ATOM 992 O GLY A 65 -6.192 2.691 1.466 1.00 0.00 O ATOM 0 H GLY A 65 -5.979 4.110 3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.581 4.616 2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.230 5.606 1.531 1.00 0.00 H new ATOM 996 N LEU A 66 -7.542 3.507 -0.155 1.00 0.00 N ATOM 997 CA LEU A 66 -7.176 2.491 -1.126 1.00 0.00 C ATOM 998 C LEU A 66 -6.002 2.996 -1.968 1.00 0.00 C ATOM 999 O LEU A 66 -5.971 4.161 -2.360 1.00 0.00 O ATOM 1000 CB LEU A 66 -8.394 2.078 -1.955 1.00 0.00 C ATOM 1001 CG LEU A 66 -9.446 1.238 -1.228 1.00 0.00 C ATOM 1002 CD1 LEU A 66 -10.731 1.135 -2.052 1.00 0.00 C ATOM 1003 CD2 LEU A 66 -8.890 -0.138 -0.859 1.00 0.00 C ATOM 0 H LEU A 66 -8.222 4.190 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.841 1.585 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.875 2.980 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.045 1.517 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.701 1.742 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.462 0.533 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.136 2.133 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.512 0.666 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.658 -0.714 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.589 -0.664 -1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.026 -0.018 -0.205 1.00 0.00 H new ATOM 1015 N LEU A 67 -5.066 2.093 -2.221 1.00 0.00 N ATOM 1016 CA LEU A 67 -3.893 2.432 -3.009 1.00 0.00 C ATOM 1017 C LEU A 67 -3.820 1.511 -4.229 1.00 0.00 C ATOM 1018 O LEU A 67 -4.370 0.411 -4.214 1.00 0.00 O ATOM 1019 CB LEU A 67 -2.635 2.401 -2.139 1.00 0.00 C ATOM 1020 CG LEU A 67 -1.893 3.730 -1.984 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -0.956 3.698 -0.775 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -1.155 4.099 -3.273 1.00 0.00 C ATOM 0 H LEU A 67 -5.096 1.127 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.968 3.453 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.912 2.045 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.945 1.669 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.629 4.513 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.441 4.655 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.536 3.514 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.223 2.902 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.636 5.048 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.431 3.320 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.872 4.192 -4.089 1.00 0.00 H new ATOM 1034 N ALA A 68 -3.136 1.994 -5.255 1.00 0.00 N ATOM 1035 CA ALA A 68 -2.984 1.228 -6.481 1.00 0.00 C ATOM 1036 C ALA A 68 -1.793 0.278 -6.338 1.00 0.00 C ATOM 1037 O ALA A 68 -0.674 0.714 -6.075 1.00 0.00 O ATOM 1038 CB ALA A 68 -2.827 2.185 -7.665 1.00 0.00 C ATOM 0 H ALA A 68 -2.680 2.907 -5.263 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.870 0.621 -6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.713 1.611 -8.584 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.711 2.819 -7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.945 2.808 -7.515 1.00 0.00 H new ATOM 1044 N ALA A 69 -2.076 -1.004 -6.517 1.00 0.00 N ATOM 1045 CA ALA A 69 -1.043 -2.020 -6.412 1.00 0.00 C ATOM 1046 C ALA A 69 0.132 -1.643 -7.317 1.00 0.00 C ATOM 1047 O ALA A 69 1.269 -2.033 -7.058 1.00 0.00 O ATOM 1048 CB ALA A 69 -1.633 -3.388 -6.762 1.00 0.00 C ATOM 0 H ALA A 69 -3.006 -1.362 -6.734 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.667 -2.079 -5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.857 -4.150 -6.683 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.443 -3.622 -6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.019 -3.368 -7.781 1.00 0.00 H new ATOM 1054 N GLY A 70 -0.184 -0.890 -8.359 1.00 0.00 N ATOM 1055 CA GLY A 70 0.831 -0.455 -9.304 1.00 0.00 C ATOM 1056 C GLY A 70 1.326 0.953 -8.968 1.00 0.00 C ATOM 1057 O GLY A 70 1.562 1.762 -9.863 1.00 0.00 O ATOM 0 H GLY A 70 -1.129 -0.569 -8.571 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.669 -1.152 -9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.422 -0.469 -10.314 1.00 0.00 H new ATOM 1061 N ALA A 71 1.470 1.201 -7.674 1.00 0.00 N ATOM 1062 CA ALA A 71 1.934 2.497 -7.209 1.00 0.00 C ATOM 1063 C ALA A 71 2.583 2.338 -5.832 1.00 0.00 C ATOM 1064 O ALA A 71 2.634 3.287 -5.052 1.00 0.00 O ATOM 1065 CB ALA A 71 0.763 3.482 -7.190 1.00 0.00 C ATOM 0 H ALA A 71 1.274 0.527 -6.934 1.00 0.00 H new ATOM 0 HA ALA A 71 2.688 2.899 -7.885 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.111 4.454 -6.841 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.355 3.582 -8.196 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.013 3.112 -6.519 1.00 0.00 H new ATOM 1071 N LEU A 72 3.064 1.130 -5.577 1.00 0.00 N ATOM 1072 CA LEU A 72 3.708 0.833 -4.309 1.00 0.00 C ATOM 1073 C LEU A 72 5.036 0.120 -4.570 1.00 0.00 C ATOM 1074 O LEU A 72 5.211 -0.510 -5.612 1.00 0.00 O ATOM 1075 CB LEU A 72 2.760 0.053 -3.396 1.00 0.00 C ATOM 1076 CG LEU A 72 1.393 0.694 -3.144 1.00 0.00 C ATOM 1077 CD1 LEU A 72 0.361 -0.360 -2.737 1.00 0.00 C ATOM 1078 CD2 LEU A 72 1.498 1.821 -2.115 1.00 0.00 C ATOM 0 H LEU A 72 3.021 0.345 -6.227 1.00 0.00 H new ATOM 0 HA LEU A 72 3.941 1.755 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.602 -0.935 -3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.253 -0.095 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 72 1.047 1.141 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.602 0.121 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.260 -1.097 -3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.688 -0.856 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.513 2.260 -1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.875 1.421 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.181 2.587 -2.483 1.00 0.00 H new ATOM 1090 N ARG A 73 5.937 0.242 -3.607 1.00 0.00 N ATOM 1091 CA ARG A 73 7.243 -0.384 -3.720 1.00 0.00 C ATOM 1092 C ARG A 73 7.745 -0.817 -2.341 1.00 0.00 C ATOM 1093 O ARG A 73 7.145 -0.477 -1.323 1.00 0.00 O ATOM 1094 CB ARG A 73 8.259 0.573 -4.348 1.00 0.00 C ATOM 1095 CG ARG A 73 8.413 1.840 -3.505 1.00 0.00 C ATOM 1096 CD ARG A 73 9.810 1.920 -2.886 1.00 0.00 C ATOM 1097 NE ARG A 73 10.200 3.336 -2.699 1.00 0.00 N ATOM 1098 CZ ARG A 73 10.594 4.144 -3.693 1.00 0.00 C ATOM 1099 NH1 ARG A 73 10.653 3.681 -4.949 1.00 0.00 N ATOM 1100 NH2 ARG A 73 10.930 5.414 -3.430 1.00 0.00 N ATOM 0 H ARG A 73 5.788 0.765 -2.744 1.00 0.00 H new ATOM 0 HA ARG A 73 7.138 -1.258 -4.363 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.224 0.075 -4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.939 0.839 -5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.236 2.718 -4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.661 1.850 -2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.822 1.401 -1.928 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.532 1.417 -3.530 1.00 0.00 H new ATOM 0 HE ARG A 73 10.167 3.721 -1.755 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.398 2.714 -5.148 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.953 4.296 -5.706 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.886 5.766 -2.474 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.230 6.029 -4.186 1.00 0.00 H new ATOM 1114 N GLU A 74 8.842 -1.560 -2.353 1.00 0.00 N ATOM 1115 CA GLU A 74 9.432 -2.044 -1.116 1.00 0.00 C ATOM 1116 C GLU A 74 10.466 -1.044 -0.595 1.00 0.00 C ATOM 1117 O GLU A 74 11.564 -0.940 -1.140 1.00 0.00 O ATOM 1118 CB GLU A 74 10.056 -3.427 -1.310 1.00 0.00 C ATOM 1119 CG GLU A 74 9.938 -4.265 -0.035 1.00 0.00 C ATOM 1120 CD GLU A 74 11.144 -5.194 0.124 1.00 0.00 C ATOM 1121 OE1 GLU A 74 12.138 -4.735 0.727 1.00 0.00 O ATOM 1122 OE2 GLU A 74 11.045 -6.341 -0.362 1.00 0.00 O ATOM 0 H GLU A 74 9.338 -1.839 -3.200 1.00 0.00 H new ATOM 0 HA GLU A 74 8.641 -2.140 -0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.561 -3.941 -2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.106 -3.321 -1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.864 -3.607 0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.022 -4.855 -0.067 1.00 0.00 H new ATOM 1129 N ARG A 75 10.079 -0.333 0.454 1.00 0.00 N ATOM 1130 CA ARG A 75 10.959 0.655 1.055 1.00 0.00 C ATOM 1131 C ARG A 75 12.400 0.143 1.070 1.00 0.00 C ATOM 1132 O ARG A 75 12.662 -0.974 1.515 1.00 0.00 O ATOM 1133 CB ARG A 75 10.526 0.981 2.486 1.00 0.00 C ATOM 1134 CG ARG A 75 11.376 2.109 3.072 1.00 0.00 C ATOM 1135 CD ARG A 75 10.952 2.426 4.508 1.00 0.00 C ATOM 1136 NE ARG A 75 11.856 3.442 5.091 1.00 0.00 N ATOM 1137 CZ ARG A 75 11.695 4.764 4.943 1.00 0.00 C ATOM 1138 NH1 ARG A 75 10.663 5.238 4.231 1.00 0.00 N ATOM 1139 NH2 ARG A 75 12.565 5.613 5.507 1.00 0.00 N ATOM 0 H ARG A 75 9.168 -0.422 0.903 1.00 0.00 H new ATOM 0 HA ARG A 75 10.898 1.562 0.454 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.475 1.270 2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.617 0.091 3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 75 12.428 1.823 3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.278 3.002 2.454 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.925 2.791 4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.975 1.518 5.111 1.00 0.00 H new ATOM 0 HE ARG A 75 12.651 3.116 5.640 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.000 4.592 3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.541 6.244 4.118 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.350 5.253 6.049 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.442 6.619 5.394 1.00 0.00 H new ATOM 1153 N SER A 76 13.298 0.983 0.577 1.00 0.00 N ATOM 1154 CA SER A 76 14.707 0.629 0.528 1.00 0.00 C ATOM 1155 C SER A 76 15.469 1.362 1.633 1.00 0.00 C ATOM 1156 O SER A 76 16.091 0.732 2.487 1.00 0.00 O ATOM 1157 CB SER A 76 15.309 0.957 -0.840 1.00 0.00 C ATOM 1158 OG SER A 76 15.875 -0.193 -1.463 1.00 0.00 O ATOM 0 H SER A 76 13.078 1.908 0.208 1.00 0.00 H new ATOM 0 HA SER A 76 14.796 -0.446 0.686 1.00 0.00 H new ATOM 0 HB2 SER A 76 14.537 1.376 -1.485 1.00 0.00 H new ATOM 0 HB3 SER A 76 16.077 1.722 -0.724 1.00 0.00 H new ATOM 0 HG SER A 76 16.247 0.057 -2.334 1.00 0.00 H new ATOM 1164 N GLY A 77 15.397 2.684 1.582 1.00 0.00 N ATOM 1165 CA GLY A 77 16.072 3.510 2.568 1.00 0.00 C ATOM 1166 C GLY A 77 16.444 4.873 1.980 1.00 0.00 C ATOM 1167 O GLY A 77 15.870 5.299 0.980 1.00 0.00 O ATOM 0 H GLY A 77 14.881 3.204 0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.426 3.648 3.435 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.971 3.003 2.918 1.00 0.00 H new ATOM 1171 N PRO A 78 17.429 5.535 2.644 1.00 0.00 N ATOM 1172 CA PRO A 78 17.885 6.841 2.198 1.00 0.00 C ATOM 1173 C PRO A 78 18.761 6.719 0.950 1.00 0.00 C ATOM 1174 O PRO A 78 18.617 7.497 0.008 1.00 0.00 O ATOM 1175 CB PRO A 78 18.626 7.427 3.389 1.00 0.00 C ATOM 1176 CG PRO A 78 18.959 6.251 4.293 1.00 0.00 C ATOM 1177 CD PRO A 78 18.132 5.061 3.833 1.00 0.00 C ATOM 0 HA PRO A 78 17.065 7.492 1.896 1.00 0.00 H new ATOM 0 HB2 PRO A 78 19.532 7.943 3.070 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.009 8.159 3.911 1.00 0.00 H new ATOM 0 HG2 PRO A 78 20.023 6.019 4.242 1.00 0.00 H new ATOM 0 HG3 PRO A 78 18.735 6.493 5.332 1.00 0.00 H new ATOM 0 HD2 PRO A 78 18.765 4.204 3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 78 17.433 4.742 4.606 1.00 0.00 H new ATOM 1185 N SER A 79 19.649 5.737 0.983 1.00 0.00 N ATOM 1186 CA SER A 79 20.549 5.503 -0.134 1.00 0.00 C ATOM 1187 C SER A 79 19.746 5.145 -1.386 1.00 0.00 C ATOM 1188 O SER A 79 18.546 4.886 -1.306 1.00 0.00 O ATOM 1189 CB SER A 79 21.551 4.392 0.189 1.00 0.00 C ATOM 1190 OG SER A 79 22.704 4.893 0.861 1.00 0.00 O ATOM 0 H SER A 79 19.765 5.094 1.766 1.00 0.00 H new ATOM 0 HA SER A 79 21.110 6.419 -0.319 1.00 0.00 H new ATOM 0 HB2 SER A 79 21.068 3.638 0.810 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.855 3.898 -0.734 1.00 0.00 H new ATOM 0 HG SER A 79 23.319 4.154 1.051 1.00 0.00 H new ATOM 1196 N SER A 80 20.440 5.142 -2.514 1.00 0.00 N ATOM 1197 CA SER A 80 19.807 4.820 -3.782 1.00 0.00 C ATOM 1198 C SER A 80 20.813 4.139 -4.712 1.00 0.00 C ATOM 1199 O SER A 80 21.988 4.503 -4.734 1.00 0.00 O ATOM 1200 CB SER A 80 19.235 6.074 -4.446 1.00 0.00 C ATOM 1201 OG SER A 80 18.222 5.760 -5.397 1.00 0.00 O ATOM 0 H SER A 80 21.435 5.357 -2.577 1.00 0.00 H new ATOM 0 HA SER A 80 18.981 4.136 -3.587 1.00 0.00 H new ATOM 0 HB2 SER A 80 18.823 6.733 -3.682 1.00 0.00 H new ATOM 0 HB3 SER A 80 20.038 6.621 -4.939 1.00 0.00 H new ATOM 0 HG SER A 80 17.881 6.587 -5.797 1.00 0.00 H new ATOM 1207 N GLY A 81 20.316 3.163 -5.457 1.00 0.00 N ATOM 1208 CA GLY A 81 21.156 2.428 -6.386 1.00 0.00 C ATOM 1209 C GLY A 81 20.346 1.935 -7.586 1.00 0.00 C ATOM 1210 O GLY A 81 19.624 2.709 -8.213 1.00 0.00 O ATOM 0 H GLY A 81 19.341 2.864 -5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 81 21.970 3.067 -6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 81 21.611 1.579 -5.876 1.00 0.00 H new TER 1214 GLY A 81