USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 627 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 Single : A 1 PHE N :NH3+ 145:sc= 0.38 (180deg=0.0588) USER MOD Single : A 2 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0748) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc=-9.95e-05 USER MOD Single : A 18 CYS SG : rot 120:sc= -2.27 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc=-0.00449 (180deg=-0.168) USER MOD Single : A 29 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.063) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -148:sc= 0.168 (180deg=-1.38!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -166:sc= -0.342 (180deg=-1.01) USER MOD Single : A 46 ASN : amide:sc= -0.444 K(o=-0.44,f=-2.3!) USER MOD Single : A 47 ASN : amide:sc= -0.853 K(o=-0.85,f=-1.5) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0199 USER MOD Single : A 53 LYS NZ :NH3+ -144:sc= -0.649 (180deg=-1.63!) USER MOD Single : A 54 GLN : amide:sc= -2.22! C(o=-2.2!,f=-10!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= -2.05! (180deg=-2.59) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0.307 USER MOD Single : A 69 LYS NZ :NH3+ 154:sc= -0.117 (180deg=-0.869) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 14.706 11.745 -10.449 1.00 0.00 N ATOM 2 CA PHE A 1 15.181 10.806 -11.500 1.00 0.00 C ATOM 3 C PHE A 1 15.432 11.567 -12.800 1.00 0.00 C ATOM 4 O PHE A 1 16.554 11.924 -13.106 1.00 0.00 O ATOM 5 CB PHE A 1 14.116 9.721 -11.753 1.00 0.00 C ATOM 6 CG PHE A 1 13.970 8.856 -10.499 1.00 0.00 C ATOM 7 CD1 PHE A 1 14.884 7.854 -10.231 1.00 0.00 C ATOM 8 CD2 PHE A 1 12.921 9.063 -9.617 1.00 0.00 C ATOM 9 CE1 PHE A 1 14.754 7.074 -9.101 1.00 0.00 C ATOM 10 CE2 PHE A 1 12.794 8.279 -8.487 1.00 0.00 C ATOM 11 CZ PHE A 1 13.710 7.287 -8.231 1.00 0.00 C ATOM 0 H1 PHE A 1 14.016 11.263 -9.839 1.00 0.00 H new ATOM 0 H2 PHE A 1 15.514 12.061 -9.875 1.00 0.00 H new ATOM 0 H3 PHE A 1 14.256 12.569 -10.897 1.00 0.00 H new ATOM 0 HA PHE A 1 16.107 10.340 -11.162 1.00 0.00 H new ATOM 0 HB2 PHE A 1 13.161 10.183 -12.003 1.00 0.00 H new ATOM 0 HB3 PHE A 1 14.404 9.103 -12.604 1.00 0.00 H new ATOM 0 HD1 PHE A 1 15.705 7.681 -10.911 1.00 0.00 H new ATOM 0 HD2 PHE A 1 12.199 9.842 -9.814 1.00 0.00 H new ATOM 0 HE1 PHE A 1 15.473 6.294 -8.899 1.00 0.00 H new ATOM 0 HE2 PHE A 1 11.974 8.446 -7.804 1.00 0.00 H new ATOM 0 HZ PHE A 1 13.610 6.675 -7.347 1.00 0.00 H new ATOM 23 N LYS A 2 14.374 11.804 -13.547 1.00 0.00 N ATOM 24 CA LYS A 2 14.516 12.545 -14.845 1.00 0.00 C ATOM 25 C LYS A 2 13.400 13.582 -14.983 1.00 0.00 C ATOM 26 O LYS A 2 12.728 13.646 -15.995 1.00 0.00 O ATOM 27 CB LYS A 2 14.394 11.538 -16.008 1.00 0.00 C ATOM 28 CG LYS A 2 15.586 10.569 -15.981 1.00 0.00 C ATOM 29 CD LYS A 2 15.703 9.873 -17.348 1.00 0.00 C ATOM 30 CE LYS A 2 16.593 8.634 -17.211 1.00 0.00 C ATOM 31 NZ LYS A 2 17.981 9.031 -16.834 1.00 0.00 N ATOM 0 H LYS A 2 13.423 11.517 -13.314 1.00 0.00 H new ATOM 0 HA LYS A 2 15.484 13.047 -14.867 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.460 10.983 -15.925 1.00 0.00 H new ATOM 0 HB3 LYS A 2 14.366 12.069 -16.960 1.00 0.00 H new ATOM 0 HG2 LYS A 2 16.505 11.110 -15.755 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.450 9.828 -15.193 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.715 9.587 -17.709 1.00 0.00 H new ATOM 0 HD3 LYS A 2 16.125 10.558 -18.083 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.182 7.964 -16.456 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.608 8.083 -18.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.610 8.207 -16.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.314 9.780 -17.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.988 9.383 -15.855 1.00 0.00 H new ATOM 45 N ASP A 3 13.221 14.369 -13.955 1.00 0.00 N ATOM 46 CA ASP A 3 12.169 15.404 -13.988 1.00 0.00 C ATOM 47 C ASP A 3 12.414 16.439 -12.866 1.00 0.00 C ATOM 48 O ASP A 3 11.702 16.466 -11.881 1.00 0.00 O ATOM 49 CB ASP A 3 10.824 14.699 -13.739 1.00 0.00 C ATOM 50 CG ASP A 3 9.678 15.591 -14.205 1.00 0.00 C ATOM 51 OD1 ASP A 3 9.989 16.646 -14.734 1.00 0.00 O ATOM 52 OD2 ASP A 3 8.550 15.169 -14.007 1.00 0.00 O ATOM 0 H ASP A 3 13.766 14.332 -13.093 1.00 0.00 H new ATOM 0 HA ASP A 3 12.172 15.921 -14.948 1.00 0.00 H new ATOM 0 HB2 ASP A 3 10.797 13.749 -14.272 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.713 14.473 -12.679 1.00 0.00 H new ATOM 57 N PRO A 4 13.427 17.289 -13.049 1.00 0.00 N ATOM 58 CA PRO A 4 13.762 18.315 -12.049 1.00 0.00 C ATOM 59 C PRO A 4 12.575 19.233 -11.717 1.00 0.00 C ATOM 60 O PRO A 4 12.216 19.387 -10.566 1.00 0.00 O ATOM 61 CB PRO A 4 14.930 19.133 -12.690 1.00 0.00 C ATOM 62 CG PRO A 4 15.345 18.386 -14.005 1.00 0.00 C ATOM 63 CD PRO A 4 14.279 17.290 -14.261 1.00 0.00 C ATOM 0 HA PRO A 4 14.037 17.855 -11.100 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.612 20.152 -12.909 1.00 0.00 H new ATOM 0 HB3 PRO A 4 15.774 19.203 -12.004 1.00 0.00 H new ATOM 0 HG2 PRO A 4 15.393 19.080 -14.844 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.336 17.943 -13.901 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.694 17.510 -15.154 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.744 16.317 -14.417 1.00 0.00 H new ATOM 71 N ASN A 5 11.995 19.823 -12.721 1.00 0.00 N ATOM 72 CA ASN A 5 10.851 20.719 -12.460 1.00 0.00 C ATOM 73 C ASN A 5 9.725 19.949 -11.791 1.00 0.00 C ATOM 74 O ASN A 5 9.328 20.282 -10.732 1.00 0.00 O ATOM 75 CB ASN A 5 10.365 21.312 -13.814 1.00 0.00 C ATOM 76 CG ASN A 5 11.079 22.651 -14.075 1.00 0.00 C ATOM 77 OD1 ASN A 5 12.291 22.726 -14.102 1.00 0.00 O ATOM 78 ND2 ASN A 5 10.361 23.728 -14.262 1.00 0.00 N ATOM 0 H ASN A 5 12.264 19.722 -13.700 1.00 0.00 H new ATOM 0 HA ASN A 5 11.157 21.525 -11.793 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.572 20.613 -14.624 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.286 21.462 -13.791 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.819 24.624 -14.429 1.00 0.00 H new ATOM 0 HD22 ASN A 5 9.343 23.672 -14.241 1.00 0.00 H new ATOM 85 N ALA A 6 9.255 18.922 -12.444 1.00 0.00 N ATOM 86 CA ALA A 6 8.132 18.090 -11.863 1.00 0.00 C ATOM 87 C ALA A 6 8.739 16.919 -11.038 1.00 0.00 C ATOM 88 O ALA A 6 9.265 15.992 -11.611 1.00 0.00 O ATOM 89 CB ALA A 6 7.329 17.508 -13.054 1.00 0.00 C ATOM 0 H ALA A 6 9.592 18.613 -13.356 1.00 0.00 H new ATOM 0 HA ALA A 6 7.493 18.692 -11.216 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.507 16.900 -12.676 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.929 18.324 -13.657 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.985 16.891 -13.668 1.00 0.00 H new ATOM 95 N PRO A 7 8.653 16.969 -9.695 1.00 0.00 N ATOM 96 CA PRO A 7 9.203 15.919 -8.859 1.00 0.00 C ATOM 97 C PRO A 7 8.139 14.983 -8.266 1.00 0.00 C ATOM 98 O PRO A 7 7.047 14.840 -8.781 1.00 0.00 O ATOM 99 CB PRO A 7 9.761 16.769 -7.735 1.00 0.00 C ATOM 100 CG PRO A 7 8.690 17.833 -7.499 1.00 0.00 C ATOM 101 CD PRO A 7 8.117 18.096 -8.900 1.00 0.00 C ATOM 0 HA PRO A 7 9.888 15.262 -9.395 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.937 16.176 -6.838 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.714 17.219 -8.012 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.921 17.480 -6.812 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.115 18.738 -7.064 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.027 18.104 -8.895 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.441 19.059 -9.295 1.00 0.00 H new ATOM 109 N LYS A 8 8.525 14.370 -7.175 1.00 0.00 N ATOM 110 CA LYS A 8 7.652 13.429 -6.446 1.00 0.00 C ATOM 111 C LYS A 8 7.908 13.629 -4.958 1.00 0.00 C ATOM 112 O LYS A 8 9.042 13.736 -4.546 1.00 0.00 O ATOM 113 CB LYS A 8 8.052 12.007 -6.818 1.00 0.00 C ATOM 114 CG LYS A 8 7.553 11.688 -8.231 1.00 0.00 C ATOM 115 CD LYS A 8 8.215 10.398 -8.724 1.00 0.00 C ATOM 116 CE LYS A 8 7.809 10.152 -10.183 1.00 0.00 C ATOM 117 NZ LYS A 8 8.691 9.127 -10.805 1.00 0.00 N ATOM 0 H LYS A 8 9.445 14.495 -6.753 1.00 0.00 H new ATOM 0 HA LYS A 8 6.603 13.598 -6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.136 11.899 -6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.629 11.300 -6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.469 11.576 -8.229 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.787 12.511 -8.906 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.299 10.477 -8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.910 9.557 -8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.771 9.822 -10.227 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.871 11.083 -10.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.402 8.973 -11.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.677 9.456 -10.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.611 8.234 -10.278 1.00 0.00 H new ATOM 131 N ARG A 9 6.878 13.668 -4.175 1.00 0.00 N ATOM 132 CA ARG A 9 7.089 13.867 -2.722 1.00 0.00 C ATOM 133 C ARG A 9 7.597 12.580 -2.025 1.00 0.00 C ATOM 134 O ARG A 9 7.498 11.510 -2.590 1.00 0.00 O ATOM 135 CB ARG A 9 5.740 14.264 -2.120 1.00 0.00 C ATOM 136 CG ARG A 9 5.025 15.260 -3.076 1.00 0.00 C ATOM 137 CD ARG A 9 4.162 16.235 -2.266 1.00 0.00 C ATOM 138 NE ARG A 9 3.131 16.821 -3.170 1.00 0.00 N ATOM 139 CZ ARG A 9 3.462 17.790 -3.985 1.00 0.00 C ATOM 140 NH1 ARG A 9 4.693 18.229 -3.982 1.00 0.00 N ATOM 141 NH2 ARG A 9 2.555 18.277 -4.786 1.00 0.00 N ATOM 0 H ARG A 9 5.907 13.572 -4.472 1.00 0.00 H new ATOM 0 HA ARG A 9 7.848 14.635 -2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.122 13.379 -1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.886 14.722 -1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.763 15.812 -3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.403 14.714 -3.785 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.685 15.717 -1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.782 17.023 -1.838 1.00 0.00 H new ATOM 0 HE ARG A 9 2.174 16.469 -3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.380 17.817 -3.350 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.967 18.984 -4.611 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.606 17.902 -4.770 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.794 19.032 -5.428 1.00 0.00 H new ATOM 155 N PRO A 10 8.231 12.724 -0.822 1.00 0.00 N ATOM 156 CA PRO A 10 8.754 11.555 -0.056 1.00 0.00 C ATOM 157 C PRO A 10 7.851 11.147 1.177 1.00 0.00 C ATOM 158 O PRO A 10 8.119 11.569 2.283 1.00 0.00 O ATOM 159 CB PRO A 10 10.067 12.122 0.524 1.00 0.00 C ATOM 160 CG PRO A 10 9.791 13.642 0.748 1.00 0.00 C ATOM 161 CD PRO A 10 8.685 14.032 -0.274 1.00 0.00 C ATOM 0 HA PRO A 10 8.824 10.672 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.331 11.627 1.459 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.899 11.970 -0.163 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.463 13.833 1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.695 14.230 0.589 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.868 14.570 0.207 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.076 14.680 -1.058 1.00 0.00 H new ATOM 169 N PRO A 11 6.819 10.339 0.962 1.00 0.00 N ATOM 170 CA PRO A 11 5.934 9.908 2.051 1.00 0.00 C ATOM 171 C PRO A 11 6.538 8.667 2.739 1.00 0.00 C ATOM 172 O PRO A 11 7.742 8.535 2.827 1.00 0.00 O ATOM 173 CB PRO A 11 4.631 9.541 1.309 1.00 0.00 C ATOM 174 CG PRO A 11 5.087 9.101 -0.093 1.00 0.00 C ATOM 175 CD PRO A 11 6.419 9.847 -0.353 1.00 0.00 C ATOM 0 HA PRO A 11 5.783 10.657 2.828 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.097 8.740 1.820 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.953 10.393 1.255 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.228 8.021 -0.138 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.341 9.357 -0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.172 9.181 -0.775 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.285 10.666 -1.060 1.00 0.00 H new ATOM 183 N SER A 12 5.698 7.789 3.206 1.00 0.00 N ATOM 184 CA SER A 12 6.206 6.553 3.887 1.00 0.00 C ATOM 185 C SER A 12 6.441 5.436 2.865 1.00 0.00 C ATOM 186 O SER A 12 6.117 5.579 1.704 1.00 0.00 O ATOM 187 CB SER A 12 5.150 6.089 4.914 1.00 0.00 C ATOM 188 OG SER A 12 5.896 5.340 5.860 1.00 0.00 O ATOM 0 H SER A 12 4.683 7.867 3.149 1.00 0.00 H new ATOM 0 HA SER A 12 7.151 6.776 4.383 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.649 6.937 5.382 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.377 5.481 4.444 1.00 0.00 H new ATOM 0 HG SER A 12 5.296 5.005 6.558 1.00 0.00 H new ATOM 194 N ALA A 13 6.995 4.341 3.319 1.00 0.00 N ATOM 195 CA ALA A 13 7.257 3.214 2.389 1.00 0.00 C ATOM 196 C ALA A 13 5.981 2.641 1.854 1.00 0.00 C ATOM 197 O ALA A 13 5.682 2.737 0.678 1.00 0.00 O ATOM 198 CB ALA A 13 7.967 2.087 3.159 1.00 0.00 C ATOM 0 H ALA A 13 7.274 4.184 4.287 1.00 0.00 H new ATOM 0 HA ALA A 13 7.863 3.594 1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.164 1.254 2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.909 2.459 3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.331 1.749 3.977 1.00 0.00 H new ATOM 204 N PHE A 14 5.252 2.051 2.728 1.00 0.00 N ATOM 205 CA PHE A 14 3.982 1.445 2.324 1.00 0.00 C ATOM 206 C PHE A 14 3.022 2.492 1.736 1.00 0.00 C ATOM 207 O PHE A 14 1.959 2.158 1.255 1.00 0.00 O ATOM 208 CB PHE A 14 3.387 0.716 3.579 1.00 0.00 C ATOM 209 CG PHE A 14 1.908 1.048 3.838 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.513 2.344 4.089 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.961 0.036 3.874 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.195 2.632 4.376 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.352 0.322 4.162 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.738 1.619 4.412 1.00 0.00 C ATOM 0 H PHE A 14 5.483 1.961 3.717 1.00 0.00 H new ATOM 0 HA PHE A 14 4.139 0.720 1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.492 -0.361 3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.971 0.988 4.458 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.241 3.141 4.061 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.257 -0.983 3.674 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.105 3.651 4.572 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.082 -0.473 4.192 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.771 1.842 4.636 1.00 0.00 H new ATOM 224 N PHE A 15 3.379 3.749 1.831 1.00 0.00 N ATOM 225 CA PHE A 15 2.470 4.777 1.265 1.00 0.00 C ATOM 226 C PHE A 15 2.678 4.802 -0.223 1.00 0.00 C ATOM 227 O PHE A 15 1.742 4.869 -0.990 1.00 0.00 O ATOM 228 CB PHE A 15 2.796 6.152 1.843 1.00 0.00 C ATOM 229 CG PHE A 15 1.737 7.133 1.348 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.572 7.326 2.069 1.00 0.00 C ATOM 231 CD2 PHE A 15 1.915 7.825 0.165 1.00 0.00 C ATOM 232 CE1 PHE A 15 -0.397 8.194 1.613 1.00 0.00 C ATOM 233 CE2 PHE A 15 0.943 8.695 -0.288 1.00 0.00 C ATOM 234 CZ PHE A 15 -0.211 8.879 0.436 1.00 0.00 C ATOM 0 H PHE A 15 4.235 4.095 2.263 1.00 0.00 H new ATOM 0 HA PHE A 15 1.436 4.536 1.512 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.803 6.116 2.932 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.789 6.472 1.528 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.421 6.793 2.996 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.819 7.685 -0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.304 8.336 2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.090 9.232 -1.213 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.970 9.560 0.081 1.00 0.00 H new ATOM 244 N LEU A 16 3.920 4.752 -0.611 1.00 0.00 N ATOM 245 CA LEU A 16 4.226 4.763 -2.048 1.00 0.00 C ATOM 246 C LEU A 16 3.560 3.572 -2.654 1.00 0.00 C ATOM 247 O LEU A 16 3.348 3.488 -3.847 1.00 0.00 O ATOM 248 CB LEU A 16 5.733 4.580 -2.219 1.00 0.00 C ATOM 249 CG LEU A 16 6.466 5.785 -1.648 1.00 0.00 C ATOM 250 CD1 LEU A 16 7.963 5.444 -1.549 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.245 7.025 -2.567 1.00 0.00 C ATOM 0 H LEU A 16 4.728 4.704 0.010 1.00 0.00 H new ATOM 0 HA LEU A 16 3.892 5.692 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.058 3.671 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.977 4.461 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 16 6.081 6.025 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.504 6.298 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.097 4.583 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.349 5.210 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.773 7.884 -2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.628 6.811 -3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.180 7.248 -2.627 1.00 0.00 H new ATOM 263 N PHE A 17 3.240 2.658 -1.783 1.00 0.00 N ATOM 264 CA PHE A 17 2.583 1.423 -2.198 1.00 0.00 C ATOM 265 C PHE A 17 1.067 1.603 -2.148 1.00 0.00 C ATOM 266 O PHE A 17 0.346 1.014 -2.914 1.00 0.00 O ATOM 267 CB PHE A 17 3.032 0.386 -1.190 1.00 0.00 C ATOM 268 CG PHE A 17 2.223 -0.868 -1.285 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.996 -0.941 -0.656 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.737 -1.983 -1.905 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.297 -2.114 -0.639 1.00 0.00 C ATOM 272 CE2 PHE A 17 2.034 -3.158 -1.890 1.00 0.00 C ATOM 273 CZ PHE A 17 0.816 -3.222 -1.251 1.00 0.00 C ATOM 0 H PHE A 17 3.417 2.732 -0.781 1.00 0.00 H new ATOM 0 HA PHE A 17 2.838 1.133 -3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.084 0.153 -1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.948 0.797 -0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.587 -0.065 -0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.694 -1.932 -2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.662 -2.167 -0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.435 -4.034 -2.379 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.267 -4.152 -1.233 1.00 0.00 H new ATOM 283 N CYS A 18 0.608 2.394 -1.212 1.00 0.00 N ATOM 284 CA CYS A 18 -0.846 2.615 -1.113 1.00 0.00 C ATOM 285 C CYS A 18 -1.390 3.084 -2.453 1.00 0.00 C ATOM 286 O CYS A 18 -2.092 2.357 -3.125 1.00 0.00 O ATOM 287 CB CYS A 18 -1.109 3.718 -0.067 1.00 0.00 C ATOM 288 SG CYS A 18 -2.794 4.378 0.044 1.00 0.00 S ATOM 0 H CYS A 18 1.178 2.887 -0.524 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.334 1.684 -0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.836 3.325 0.912 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.435 4.549 -0.277 1.00 0.00 H new ATOM 0 HG CYS A 18 -3.263 4.171 1.239 1.00 0.00 H new ATOM 294 N SER A 19 -1.021 4.291 -2.830 1.00 0.00 N ATOM 295 CA SER A 19 -1.496 4.853 -4.124 1.00 0.00 C ATOM 296 C SER A 19 -1.484 3.794 -5.210 1.00 0.00 C ATOM 297 O SER A 19 -2.324 3.786 -6.086 1.00 0.00 O ATOM 298 CB SER A 19 -0.545 5.990 -4.529 1.00 0.00 C ATOM 299 OG SER A 19 -1.172 6.580 -5.654 1.00 0.00 O ATOM 0 H SER A 19 -0.411 4.905 -2.291 1.00 0.00 H new ATOM 0 HA SER A 19 -2.517 5.215 -4.005 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.417 6.710 -3.721 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.446 5.611 -4.778 1.00 0.00 H new ATOM 0 HG SER A 19 -0.625 7.325 -5.980 1.00 0.00 H new ATOM 305 N GLU A 20 -0.524 2.924 -5.138 1.00 0.00 N ATOM 306 CA GLU A 20 -0.443 1.860 -6.152 1.00 0.00 C ATOM 307 C GLU A 20 -1.547 0.826 -5.903 1.00 0.00 C ATOM 308 O GLU A 20 -2.269 0.456 -6.806 1.00 0.00 O ATOM 309 CB GLU A 20 0.961 1.192 -6.053 1.00 0.00 C ATOM 310 CG GLU A 20 0.971 -0.140 -6.811 1.00 0.00 C ATOM 311 CD GLU A 20 0.412 0.067 -8.219 1.00 0.00 C ATOM 312 OE1 GLU A 20 0.958 0.921 -8.899 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.530 -0.639 -8.534 1.00 0.00 O ATOM 0 H GLU A 20 0.203 2.907 -4.422 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.580 2.275 -7.150 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.718 1.859 -6.466 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.219 1.025 -5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.987 -0.531 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.374 -0.879 -6.277 1.00 0.00 H new ATOM 320 N TYR A 21 -1.651 0.376 -4.670 1.00 0.00 N ATOM 321 CA TYR A 21 -2.691 -0.628 -4.324 1.00 0.00 C ATOM 322 C TYR A 21 -3.939 0.034 -3.741 1.00 0.00 C ATOM 323 O TYR A 21 -4.703 -0.599 -3.044 1.00 0.00 O ATOM 324 CB TYR A 21 -2.090 -1.562 -3.265 1.00 0.00 C ATOM 325 CG TYR A 21 -1.170 -2.575 -3.926 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.153 -2.272 -4.134 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.642 -3.819 -4.293 1.00 0.00 C ATOM 328 CE1 TYR A 21 1.005 -3.198 -4.697 1.00 0.00 C ATOM 329 CE2 TYR A 21 -0.790 -4.749 -4.858 1.00 0.00 C ATOM 330 CZ TYR A 21 0.539 -4.445 -5.066 1.00 0.00 C ATOM 331 OH TYR A 21 1.389 -5.368 -5.637 1.00 0.00 O ATOM 0 H TYR A 21 -1.056 0.667 -3.894 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.986 -1.165 -5.225 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.535 -0.981 -2.529 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.887 -2.078 -2.729 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.530 -1.299 -3.854 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.682 -4.067 -4.138 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.044 -2.947 -4.851 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.168 -5.721 -5.139 1.00 0.00 H new ATOM 0 HH TYR A 21 0.894 -6.191 -5.833 1.00 0.00 H new ATOM 341 N ARG A 22 -4.126 1.291 -4.030 1.00 0.00 N ATOM 342 CA ARG A 22 -5.333 2.000 -3.491 1.00 0.00 C ATOM 343 C ARG A 22 -6.560 1.870 -4.424 1.00 0.00 C ATOM 344 O ARG A 22 -7.672 1.757 -3.952 1.00 0.00 O ATOM 345 CB ARG A 22 -5.018 3.520 -3.289 1.00 0.00 C ATOM 346 CG ARG A 22 -5.932 4.086 -2.184 1.00 0.00 C ATOM 347 CD ARG A 22 -5.754 5.610 -2.111 1.00 0.00 C ATOM 348 NE ARG A 22 -6.207 6.086 -0.773 1.00 0.00 N ATOM 349 CZ ARG A 22 -6.395 7.363 -0.576 1.00 0.00 C ATOM 350 NH1 ARG A 22 -6.178 8.192 -1.560 1.00 0.00 N ATOM 351 NH2 ARG A 22 -6.799 7.768 0.597 1.00 0.00 N ATOM 0 H ARG A 22 -3.507 1.858 -4.609 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.576 1.527 -2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.971 3.653 -3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.175 4.063 -4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.973 3.839 -2.395 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.685 3.633 -1.224 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.709 5.875 -2.271 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.331 6.095 -2.899 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.369 5.420 -0.018 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.867 7.839 -2.465 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.320 9.193 -1.424 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.963 7.091 1.342 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.951 8.762 0.769 1.00 0.00 H new ATOM 365 N PRO A 23 -6.343 1.885 -5.746 1.00 0.00 N ATOM 366 CA PRO A 23 -7.451 1.770 -6.692 1.00 0.00 C ATOM 367 C PRO A 23 -7.880 0.307 -6.861 1.00 0.00 C ATOM 368 O PRO A 23 -9.036 0.018 -7.096 1.00 0.00 O ATOM 369 CB PRO A 23 -6.871 2.320 -8.030 1.00 0.00 C ATOM 370 CG PRO A 23 -5.316 2.422 -7.842 1.00 0.00 C ATOM 371 CD PRO A 23 -5.015 2.029 -6.373 1.00 0.00 C ATOM 0 HA PRO A 23 -8.335 2.313 -6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.117 1.657 -8.860 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.297 3.296 -8.264 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.799 1.757 -8.534 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.967 3.433 -8.051 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.449 1.099 -6.320 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.421 2.793 -5.872 1.00 0.00 H new ATOM 379 N LYS A 24 -6.933 -0.586 -6.739 1.00 0.00 N ATOM 380 CA LYS A 24 -7.258 -2.010 -6.888 1.00 0.00 C ATOM 381 C LYS A 24 -8.328 -2.410 -5.893 1.00 0.00 C ATOM 382 O LYS A 24 -9.390 -2.870 -6.266 1.00 0.00 O ATOM 383 CB LYS A 24 -5.985 -2.814 -6.597 1.00 0.00 C ATOM 384 CG LYS A 24 -4.829 -2.285 -7.461 1.00 0.00 C ATOM 385 CD LYS A 24 -5.195 -2.400 -8.952 1.00 0.00 C ATOM 386 CE LYS A 24 -3.913 -2.358 -9.792 1.00 0.00 C ATOM 387 NZ LYS A 24 -4.231 -2.520 -11.239 1.00 0.00 N ATOM 0 H LYS A 24 -5.954 -0.378 -6.543 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.625 -2.203 -7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.728 -2.736 -5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.155 -3.870 -6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.620 -1.246 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.921 -2.852 -7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.734 -3.330 -9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.859 -1.585 -9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.397 -1.412 -9.631 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.235 -3.149 -9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.352 -2.489 -11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.704 -3.434 -11.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.860 -1.750 -11.545 1.00 0.00 H new ATOM 401 N ILE A 25 -8.033 -2.224 -4.642 1.00 0.00 N ATOM 402 CA ILE A 25 -9.018 -2.584 -3.605 1.00 0.00 C ATOM 403 C ILE A 25 -10.218 -1.632 -3.671 1.00 0.00 C ATOM 404 O ILE A 25 -11.342 -2.066 -3.829 1.00 0.00 O ATOM 405 CB ILE A 25 -8.338 -2.500 -2.190 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.015 -1.704 -2.268 1.00 0.00 C ATOM 407 CG2 ILE A 25 -8.024 -3.945 -1.700 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.622 -1.206 -0.867 1.00 0.00 C ATOM 0 H ILE A 25 -7.154 -1.839 -4.297 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.370 -3.601 -3.775 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.015 -1.995 -1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.224 -2.334 -2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.129 -0.858 -2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.552 -3.902 -0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.950 -4.515 -1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.350 -4.430 -2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.689 -0.646 -0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.408 -0.560 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.490 -2.059 -0.201 1.00 0.00 H new ATOM 420 N LYS A 26 -9.964 -0.352 -3.542 1.00 0.00 N ATOM 421 CA LYS A 26 -11.090 0.606 -3.601 1.00 0.00 C ATOM 422 C LYS A 26 -11.871 0.363 -4.881 1.00 0.00 C ATOM 423 O LYS A 26 -13.057 0.616 -4.953 1.00 0.00 O ATOM 424 CB LYS A 26 -10.524 2.054 -3.598 1.00 0.00 C ATOM 425 CG LYS A 26 -11.682 3.089 -3.604 1.00 0.00 C ATOM 426 CD LYS A 26 -12.230 3.276 -2.180 1.00 0.00 C ATOM 427 CE LYS A 26 -13.324 4.353 -2.210 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.728 5.706 -2.399 1.00 0.00 N ATOM 0 H LYS A 26 -9.040 0.057 -3.401 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.746 0.473 -2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.898 2.205 -2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.889 2.205 -4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.326 4.043 -3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.478 2.752 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.635 2.336 -1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.429 3.571 -1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.025 4.143 -3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.892 4.327 -1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.435 6.432 -2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.903 5.812 -1.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.430 5.819 -3.389 1.00 0.00 H new ATOM 442 N GLY A 27 -11.185 -0.141 -5.869 1.00 0.00 N ATOM 443 CA GLY A 27 -11.862 -0.412 -7.152 1.00 0.00 C ATOM 444 C GLY A 27 -13.004 -1.380 -6.907 1.00 0.00 C ATOM 445 O GLY A 27 -14.149 -1.083 -7.177 1.00 0.00 O ATOM 0 H GLY A 27 -10.192 -0.373 -5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.239 0.515 -7.583 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.157 -0.833 -7.869 1.00 0.00 H new ATOM 449 N GLU A 28 -12.656 -2.527 -6.399 1.00 0.00 N ATOM 450 CA GLU A 28 -13.673 -3.544 -6.114 1.00 0.00 C ATOM 451 C GLU A 28 -14.487 -3.112 -4.903 1.00 0.00 C ATOM 452 O GLU A 28 -15.455 -3.747 -4.532 1.00 0.00 O ATOM 453 CB GLU A 28 -12.937 -4.863 -5.778 1.00 0.00 C ATOM 454 CG GLU A 28 -12.597 -5.608 -7.068 1.00 0.00 C ATOM 455 CD GLU A 28 -12.014 -6.979 -6.714 1.00 0.00 C ATOM 456 OE1 GLU A 28 -10.970 -6.976 -6.080 1.00 0.00 O ATOM 457 OE2 GLU A 28 -12.645 -7.951 -7.095 1.00 0.00 O ATOM 0 H GLU A 28 -11.699 -2.795 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.336 -3.675 -6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.026 -4.650 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.563 -5.487 -5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.490 -5.726 -7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.880 -5.035 -7.656 1.00 0.00 H new ATOM 464 N HIS A 29 -14.062 -2.026 -4.306 1.00 0.00 N ATOM 465 CA HIS A 29 -14.762 -1.496 -3.112 1.00 0.00 C ATOM 466 C HIS A 29 -14.913 0.032 -3.205 1.00 0.00 C ATOM 467 O HIS A 29 -14.275 0.763 -2.470 1.00 0.00 O ATOM 468 CB HIS A 29 -13.880 -1.810 -1.908 1.00 0.00 C ATOM 469 CG HIS A 29 -13.861 -3.319 -1.651 1.00 0.00 C ATOM 470 ND1 HIS A 29 -14.575 -3.905 -0.817 1.00 0.00 N ATOM 471 CD2 HIS A 29 -13.084 -4.307 -2.230 1.00 0.00 C ATOM 472 CE1 HIS A 29 -14.338 -5.149 -0.794 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.396 -5.506 -1.667 1.00 0.00 N ATOM 0 H HIS A 29 -13.251 -1.484 -4.604 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.753 -1.943 -3.032 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.866 -1.450 -2.086 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.254 -1.288 -1.027 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.348 -4.151 -3.005 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.843 -5.844 -0.139 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.012 -6.431 -1.861 1.00 0.00 H new ATOM 481 N PRO A 30 -15.761 0.491 -4.115 1.00 0.00 N ATOM 482 CA PRO A 30 -15.977 1.926 -4.286 1.00 0.00 C ATOM 483 C PRO A 30 -16.644 2.536 -3.041 1.00 0.00 C ATOM 484 O PRO A 30 -17.820 2.846 -3.043 1.00 0.00 O ATOM 485 CB PRO A 30 -16.902 2.043 -5.545 1.00 0.00 C ATOM 486 CG PRO A 30 -17.305 0.583 -5.957 1.00 0.00 C ATOM 487 CD PRO A 30 -16.540 -0.382 -5.015 1.00 0.00 C ATOM 0 HA PRO A 30 -15.042 2.471 -4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -17.787 2.638 -5.319 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.381 2.544 -6.361 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.382 0.440 -5.864 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.046 0.391 -6.998 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.229 -1.012 -4.453 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.887 -1.048 -5.579 1.00 0.00 H new ATOM 495 N GLY A 31 -15.874 2.683 -1.990 1.00 0.00 N ATOM 496 CA GLY A 31 -16.446 3.272 -0.739 1.00 0.00 C ATOM 497 C GLY A 31 -15.697 2.783 0.510 1.00 0.00 C ATOM 498 O GLY A 31 -16.300 2.570 1.542 1.00 0.00 O ATOM 0 H GLY A 31 -14.888 2.425 -1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.395 4.360 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.500 3.006 -0.660 1.00 0.00 H new ATOM 502 N LEU A 32 -14.402 2.609 0.402 1.00 0.00 N ATOM 503 CA LEU A 32 -13.646 2.137 1.597 1.00 0.00 C ATOM 504 C LEU A 32 -13.484 3.250 2.611 1.00 0.00 C ATOM 505 O LEU A 32 -13.534 4.419 2.283 1.00 0.00 O ATOM 506 CB LEU A 32 -12.198 1.718 1.187 1.00 0.00 C ATOM 507 CG LEU A 32 -12.143 0.341 0.511 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.656 -0.036 0.366 1.00 0.00 C ATOM 509 CD2 LEU A 32 -12.833 -0.725 1.388 1.00 0.00 C ATOM 0 H LEU A 32 -13.850 2.769 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.207 1.302 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.787 2.466 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.564 1.708 2.073 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.651 0.381 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.573 -1.012 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.149 0.711 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.193 -0.074 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.783 -1.694 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.328 -0.786 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.876 -0.450 1.542 1.00 0.00 H new ATOM 521 N SER A 33 -13.293 2.854 3.837 1.00 0.00 N ATOM 522 CA SER A 33 -13.114 3.834 4.912 1.00 0.00 C ATOM 523 C SER A 33 -11.627 4.058 5.085 1.00 0.00 C ATOM 524 O SER A 33 -10.850 3.135 4.932 1.00 0.00 O ATOM 525 CB SER A 33 -13.684 3.260 6.216 1.00 0.00 C ATOM 526 OG SER A 33 -14.958 2.752 5.850 1.00 0.00 O ATOM 0 H SER A 33 -13.255 1.878 4.132 1.00 0.00 H new ATOM 0 HA SER A 33 -13.624 4.767 4.672 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.044 2.475 6.618 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.768 4.028 6.985 1.00 0.00 H new ATOM 0 HG SER A 33 -15.393 2.361 6.637 1.00 0.00 H new ATOM 532 N ILE A 34 -11.231 5.254 5.385 1.00 0.00 N ATOM 533 CA ILE A 34 -9.777 5.493 5.557 1.00 0.00 C ATOM 534 C ILE A 34 -9.172 4.431 6.458 1.00 0.00 C ATOM 535 O ILE A 34 -8.008 4.099 6.343 1.00 0.00 O ATOM 536 CB ILE A 34 -9.583 6.868 6.191 1.00 0.00 C ATOM 537 CG1 ILE A 34 -10.245 7.931 5.307 1.00 0.00 C ATOM 538 CG2 ILE A 34 -8.069 7.167 6.281 1.00 0.00 C ATOM 539 CD1 ILE A 34 -10.107 9.323 5.959 1.00 0.00 C ATOM 0 H ILE A 34 -11.836 6.065 5.517 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.283 5.449 4.586 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.030 6.883 7.185 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.781 7.935 4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.298 7.691 5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.918 8.147 6.733 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.584 6.407 6.893 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.636 7.158 5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.580 10.071 5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.592 9.317 6.935 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.051 9.565 6.080 1.00 0.00 H new ATOM 551 N GLY A 35 -9.976 3.915 7.338 1.00 0.00 N ATOM 552 CA GLY A 35 -9.469 2.867 8.257 1.00 0.00 C ATOM 553 C GLY A 35 -9.273 1.555 7.493 1.00 0.00 C ATOM 554 O GLY A 35 -8.389 0.790 7.792 1.00 0.00 O ATOM 0 H GLY A 35 -10.956 4.171 7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.525 3.185 8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.172 2.719 9.077 1.00 0.00 H new ATOM 558 N ASP A 36 -10.109 1.326 6.511 1.00 0.00 N ATOM 559 CA ASP A 36 -9.989 0.073 5.717 1.00 0.00 C ATOM 560 C ASP A 36 -8.887 0.180 4.696 1.00 0.00 C ATOM 561 O ASP A 36 -8.063 -0.699 4.560 1.00 0.00 O ATOM 562 CB ASP A 36 -11.309 -0.149 4.956 1.00 0.00 C ATOM 563 CG ASP A 36 -11.422 -1.619 4.546 1.00 0.00 C ATOM 564 OD1 ASP A 36 -10.466 -2.090 3.951 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.458 -2.190 4.850 1.00 0.00 O ATOM 0 H ASP A 36 -10.864 1.951 6.229 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.769 -0.748 6.399 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.155 0.130 5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.344 0.489 4.073 1.00 0.00 H new ATOM 570 N VAL A 37 -8.901 1.257 3.997 1.00 0.00 N ATOM 571 CA VAL A 37 -7.882 1.471 2.968 1.00 0.00 C ATOM 572 C VAL A 37 -6.504 1.212 3.518 1.00 0.00 C ATOM 573 O VAL A 37 -5.802 0.339 3.073 1.00 0.00 O ATOM 574 CB VAL A 37 -7.958 2.950 2.530 1.00 0.00 C ATOM 575 CG1 VAL A 37 -6.848 3.223 1.529 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.319 3.231 1.888 1.00 0.00 C ATOM 0 H VAL A 37 -9.584 2.008 4.096 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.062 0.792 2.135 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.839 3.599 3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.892 4.265 1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.882 3.025 1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.973 2.575 0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.368 4.276 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.449 2.590 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.110 3.028 2.609 1.00 0.00 H new ATOM 586 N ALA A 38 -6.165 1.962 4.490 1.00 0.00 N ATOM 587 CA ALA A 38 -4.848 1.807 5.104 1.00 0.00 C ATOM 588 C ALA A 38 -4.639 0.413 5.718 1.00 0.00 C ATOM 589 O ALA A 38 -3.523 -0.069 5.775 1.00 0.00 O ATOM 590 CB ALA A 38 -4.727 2.886 6.164 1.00 0.00 C ATOM 0 H ALA A 38 -6.752 2.691 4.896 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.076 1.908 4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.755 2.809 6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.823 3.867 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.516 2.758 6.905 1.00 0.00 H new ATOM 596 N LYS A 39 -5.700 -0.220 6.168 1.00 0.00 N ATOM 597 CA LYS A 39 -5.529 -1.573 6.765 1.00 0.00 C ATOM 598 C LYS A 39 -5.282 -2.610 5.667 1.00 0.00 C ATOM 599 O LYS A 39 -4.282 -3.299 5.674 1.00 0.00 O ATOM 600 CB LYS A 39 -6.823 -1.941 7.565 1.00 0.00 C ATOM 601 CG LYS A 39 -6.610 -1.705 9.087 1.00 0.00 C ATOM 602 CD LYS A 39 -5.957 -0.313 9.341 1.00 0.00 C ATOM 603 CE LYS A 39 -6.427 0.244 10.696 1.00 0.00 C ATOM 604 NZ LYS A 39 -7.914 0.314 10.746 1.00 0.00 N ATOM 0 H LYS A 39 -6.655 0.138 6.146 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.669 -1.569 7.435 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.660 -1.338 7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.084 -2.984 7.386 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.566 -1.764 9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.975 -2.491 9.497 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.871 -0.404 9.332 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.226 0.377 8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.060 -0.390 11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.005 1.237 10.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.204 1.119 11.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.288 0.438 9.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.290 -0.566 11.153 1.00 0.00 H new ATOM 618 N LYS A 40 -6.197 -2.696 4.748 1.00 0.00 N ATOM 619 CA LYS A 40 -6.034 -3.676 3.648 1.00 0.00 C ATOM 620 C LYS A 40 -4.668 -3.505 3.009 1.00 0.00 C ATOM 621 O LYS A 40 -3.987 -4.465 2.716 1.00 0.00 O ATOM 622 CB LYS A 40 -7.134 -3.416 2.592 1.00 0.00 C ATOM 623 CG LYS A 40 -8.444 -4.118 3.025 1.00 0.00 C ATOM 624 CD LYS A 40 -8.419 -5.602 2.589 1.00 0.00 C ATOM 625 CE LYS A 40 -9.795 -6.234 2.846 1.00 0.00 C ATOM 626 NZ LYS A 40 -9.681 -7.722 2.914 1.00 0.00 N ATOM 0 H LYS A 40 -7.047 -2.133 4.711 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.119 -4.691 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.302 -2.345 2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.814 -3.789 1.619 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.562 -4.050 4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.301 -3.614 2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.164 -5.677 1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.650 -6.142 3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.209 -5.852 3.779 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.486 -5.952 2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.620 -8.134 3.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.306 -8.083 2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.038 -7.986 3.688 1.00 0.00 H new ATOM 640 N LEU A 41 -4.301 -2.285 2.784 1.00 0.00 N ATOM 641 CA LEU A 41 -2.986 -2.041 2.171 1.00 0.00 C ATOM 642 C LEU A 41 -1.923 -2.607 3.059 1.00 0.00 C ATOM 643 O LEU A 41 -0.897 -3.078 2.605 1.00 0.00 O ATOM 644 CB LEU A 41 -2.766 -0.526 2.047 1.00 0.00 C ATOM 645 CG LEU A 41 -3.704 0.031 0.984 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.683 1.554 1.082 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.233 -0.416 -0.421 1.00 0.00 C ATOM 0 H LEU A 41 -4.852 -1.453 2.997 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.944 -2.509 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.953 -0.040 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.730 -0.318 1.780 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.716 -0.341 1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.349 1.976 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.017 1.859 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.669 1.915 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.908 -0.014 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.224 -0.045 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.234 -1.505 -0.476 1.00 0.00 H new ATOM 659 N GLY A 42 -2.189 -2.547 4.324 1.00 0.00 N ATOM 660 CA GLY A 42 -1.224 -3.069 5.289 1.00 0.00 C ATOM 661 C GLY A 42 -1.125 -4.587 5.134 1.00 0.00 C ATOM 662 O GLY A 42 -0.066 -5.164 5.274 1.00 0.00 O ATOM 0 H GLY A 42 -3.041 -2.155 4.725 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.248 -2.611 5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.533 -2.815 6.303 1.00 0.00 H new ATOM 666 N GLU A 43 -2.247 -5.202 4.845 1.00 0.00 N ATOM 667 CA GLU A 43 -2.256 -6.663 4.672 1.00 0.00 C ATOM 668 C GLU A 43 -1.473 -7.037 3.417 1.00 0.00 C ATOM 669 O GLU A 43 -0.565 -7.842 3.467 1.00 0.00 O ATOM 670 CB GLU A 43 -3.736 -7.118 4.526 1.00 0.00 C ATOM 671 CG GLU A 43 -4.317 -7.438 5.916 1.00 0.00 C ATOM 672 CD GLU A 43 -3.846 -8.827 6.362 1.00 0.00 C ATOM 673 OE1 GLU A 43 -2.705 -8.902 6.784 1.00 0.00 O ATOM 674 OE2 GLU A 43 -4.655 -9.736 6.253 1.00 0.00 O ATOM 0 H GLU A 43 -3.150 -4.743 4.724 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.792 -7.151 5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.323 -6.334 4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.795 -7.997 3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.998 -6.686 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.406 -7.405 5.883 1.00 0.00 H new ATOM 681 N MET A 44 -1.839 -6.441 2.312 1.00 0.00 N ATOM 682 CA MET A 44 -1.120 -6.756 1.063 1.00 0.00 C ATOM 683 C MET A 44 0.339 -6.384 1.217 1.00 0.00 C ATOM 684 O MET A 44 1.221 -7.114 0.812 1.00 0.00 O ATOM 685 CB MET A 44 -1.756 -5.955 -0.091 1.00 0.00 C ATOM 686 CG MET A 44 -3.034 -6.669 -0.526 1.00 0.00 C ATOM 687 SD MET A 44 -4.060 -5.849 -1.758 1.00 0.00 S ATOM 688 CE MET A 44 -4.449 -4.399 -0.764 1.00 0.00 C ATOM 0 H MET A 44 -2.595 -5.761 2.229 1.00 0.00 H new ATOM 0 HA MET A 44 -1.190 -7.822 0.845 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.981 -4.938 0.232 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.061 -5.878 -0.927 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.757 -7.649 -0.916 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.644 -6.840 0.361 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.276 -3.855 -1.221 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.732 -4.712 0.241 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.575 -3.750 -0.709 1.00 0.00 H new ATOM 698 N TRP A 45 0.572 -5.251 1.794 1.00 0.00 N ATOM 699 CA TRP A 45 1.965 -4.816 1.990 1.00 0.00 C ATOM 700 C TRP A 45 2.673 -5.853 2.813 1.00 0.00 C ATOM 701 O TRP A 45 3.678 -6.399 2.417 1.00 0.00 O ATOM 702 CB TRP A 45 1.922 -3.494 2.760 1.00 0.00 C ATOM 703 CG TRP A 45 3.327 -3.054 3.196 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.713 -2.993 4.460 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.251 -2.559 2.400 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.920 -2.428 4.401 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.337 -2.115 3.133 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.244 -2.392 1.033 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.394 -1.509 2.509 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.311 -1.781 0.406 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.379 -1.336 1.149 1.00 0.00 C ATOM 0 H TRP A 45 -0.142 -4.609 2.138 1.00 0.00 H new ATOM 0 HA TRP A 45 2.485 -4.689 1.040 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.475 -2.721 2.135 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.284 -3.603 3.637 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.176 -3.324 5.336 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.485 -2.244 5.230 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.403 -2.739 0.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.239 -1.167 3.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.307 -1.653 -0.666 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.209 -0.848 0.659 1.00 0.00 H new ATOM 722 N ASN A 46 2.128 -6.104 3.953 1.00 0.00 N ATOM 723 CA ASN A 46 2.737 -7.115 4.843 1.00 0.00 C ATOM 724 C ASN A 46 2.974 -8.410 4.067 1.00 0.00 C ATOM 725 O ASN A 46 4.000 -9.044 4.205 1.00 0.00 O ATOM 726 CB ASN A 46 1.757 -7.402 6.004 1.00 0.00 C ATOM 727 CG ASN A 46 1.925 -6.339 7.090 1.00 0.00 C ATOM 728 OD1 ASN A 46 2.972 -5.741 7.232 1.00 0.00 O ATOM 729 ND2 ASN A 46 0.918 -6.077 7.878 1.00 0.00 N ATOM 0 H ASN A 46 1.286 -5.654 4.312 1.00 0.00 H new ATOM 0 HA ASN A 46 3.687 -6.743 5.226 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.731 -7.402 5.636 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.947 -8.392 6.418 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.013 -5.372 8.609 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.036 -6.577 7.762 1.00 0.00 H new ATOM 736 N ASN A 47 2.007 -8.775 3.258 1.00 0.00 N ATOM 737 CA ASN A 47 2.151 -10.020 2.465 1.00 0.00 C ATOM 738 C ASN A 47 3.339 -9.917 1.511 1.00 0.00 C ATOM 739 O ASN A 47 4.029 -10.886 1.267 1.00 0.00 O ATOM 740 CB ASN A 47 0.863 -10.241 1.642 1.00 0.00 C ATOM 741 CG ASN A 47 -0.297 -10.581 2.583 1.00 0.00 C ATOM 742 OD1 ASN A 47 -0.114 -11.187 3.620 1.00 0.00 O ATOM 743 ND2 ASN A 47 -1.507 -10.210 2.256 1.00 0.00 N ATOM 0 H ASN A 47 1.135 -8.265 3.119 1.00 0.00 H new ATOM 0 HA ASN A 47 2.318 -10.855 3.146 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.628 -9.345 1.068 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.012 -11.049 0.925 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.291 -10.430 2.870 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.667 -9.701 1.387 1.00 0.00 H new ATOM 750 N THR A 48 3.556 -8.738 0.989 1.00 0.00 N ATOM 751 CA THR A 48 4.689 -8.550 0.053 1.00 0.00 C ATOM 752 C THR A 48 5.975 -9.089 0.670 1.00 0.00 C ATOM 753 O THR A 48 6.225 -8.895 1.840 1.00 0.00 O ATOM 754 CB THR A 48 4.857 -7.037 -0.189 1.00 0.00 C ATOM 755 OG1 THR A 48 3.557 -6.563 -0.490 1.00 0.00 O ATOM 756 CG2 THR A 48 5.694 -6.736 -1.466 1.00 0.00 C ATOM 0 H THR A 48 2.997 -7.905 1.173 1.00 0.00 H new ATOM 0 HA THR A 48 4.490 -9.081 -0.878 1.00 0.00 H new ATOM 0 HB THR A 48 5.341 -6.588 0.678 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.591 -5.598 -0.655 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.785 -5.658 -1.595 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.686 -7.174 -1.362 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.197 -7.165 -2.336 1.00 0.00 H new ATOM 764 N ALA A 49 6.767 -9.764 -0.116 1.00 0.00 N ATOM 765 CA ALA A 49 8.024 -10.304 0.438 1.00 0.00 C ATOM 766 C ALA A 49 8.918 -9.167 0.934 1.00 0.00 C ATOM 767 O ALA A 49 9.044 -8.148 0.287 1.00 0.00 O ATOM 768 CB ALA A 49 8.759 -11.090 -0.668 1.00 0.00 C ATOM 0 H ALA A 49 6.596 -9.959 -1.102 1.00 0.00 H new ATOM 0 HA ALA A 49 7.795 -10.960 1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.690 -11.494 -0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.127 -11.908 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.980 -10.424 -1.502 1.00 0.00 H new ATOM 774 N ALA A 50 9.512 -9.358 2.079 1.00 0.00 N ATOM 775 CA ALA A 50 10.397 -8.302 2.628 1.00 0.00 C ATOM 776 C ALA A 50 11.379 -7.799 1.574 1.00 0.00 C ATOM 777 O ALA A 50 11.537 -6.611 1.385 1.00 0.00 O ATOM 778 CB ALA A 50 11.190 -8.897 3.800 1.00 0.00 C ATOM 0 H ALA A 50 9.422 -10.196 2.653 1.00 0.00 H new ATOM 0 HA ALA A 50 9.782 -7.462 2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.848 -8.135 4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.499 -9.242 4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.787 -9.737 3.446 1.00 0.00 H new ATOM 784 N ASP A 51 12.025 -8.715 0.909 1.00 0.00 N ATOM 785 CA ASP A 51 12.998 -8.311 -0.130 1.00 0.00 C ATOM 786 C ASP A 51 12.317 -7.524 -1.251 1.00 0.00 C ATOM 787 O ASP A 51 12.966 -6.818 -1.996 1.00 0.00 O ATOM 788 CB ASP A 51 13.619 -9.585 -0.724 1.00 0.00 C ATOM 789 CG ASP A 51 14.766 -9.200 -1.662 1.00 0.00 C ATOM 790 OD1 ASP A 51 15.773 -8.757 -1.134 1.00 0.00 O ATOM 791 OD2 ASP A 51 14.571 -9.371 -2.853 1.00 0.00 O ATOM 0 H ASP A 51 11.919 -9.721 1.043 1.00 0.00 H new ATOM 0 HA ASP A 51 13.757 -7.673 0.323 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.988 -10.230 0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.864 -10.152 -1.268 1.00 0.00 H new ATOM 796 N ASP A 52 11.018 -7.662 -1.350 1.00 0.00 N ATOM 797 CA ASP A 52 10.274 -6.926 -2.420 1.00 0.00 C ATOM 798 C ASP A 52 9.910 -5.512 -1.978 1.00 0.00 C ATOM 799 O ASP A 52 9.483 -4.704 -2.776 1.00 0.00 O ATOM 800 CB ASP A 52 8.980 -7.684 -2.713 1.00 0.00 C ATOM 801 CG ASP A 52 8.315 -7.081 -3.950 1.00 0.00 C ATOM 802 OD1 ASP A 52 8.820 -7.359 -5.025 1.00 0.00 O ATOM 803 OD2 ASP A 52 7.342 -6.375 -3.752 1.00 0.00 O ATOM 0 H ASP A 52 10.444 -8.247 -0.742 1.00 0.00 H new ATOM 0 HA ASP A 52 10.912 -6.860 -3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.192 -8.740 -2.878 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.307 -7.624 -1.858 1.00 0.00 H new ATOM 808 N LYS A 53 10.057 -5.249 -0.708 1.00 0.00 N ATOM 809 CA LYS A 53 9.728 -3.894 -0.195 1.00 0.00 C ATOM 810 C LYS A 53 10.890 -2.944 -0.453 1.00 0.00 C ATOM 811 O LYS A 53 10.757 -1.741 -0.360 1.00 0.00 O ATOM 812 CB LYS A 53 9.506 -4.000 1.316 1.00 0.00 C ATOM 813 CG LYS A 53 8.248 -4.836 1.583 1.00 0.00 C ATOM 814 CD LYS A 53 7.971 -4.856 3.091 1.00 0.00 C ATOM 815 CE LYS A 53 6.737 -5.722 3.370 1.00 0.00 C ATOM 816 NZ LYS A 53 7.080 -7.171 3.273 1.00 0.00 N ATOM 0 H LYS A 53 10.389 -5.912 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 53 8.837 -3.515 -0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.372 -4.461 1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.396 -3.006 1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.396 -4.415 1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.386 -5.852 1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.835 -5.251 3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.807 -3.842 3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.348 -5.501 4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.948 -5.481 2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.278 -7.691 2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.916 -7.290 2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.285 -7.544 4.222 1.00 0.00 H new ATOM 830 N GLN A 54 12.010 -3.521 -0.772 1.00 0.00 N ATOM 831 CA GLN A 54 13.214 -2.719 -1.047 1.00 0.00 C ATOM 832 C GLN A 54 12.943 -1.557 -2.047 1.00 0.00 C ATOM 833 O GLN A 54 13.155 -0.425 -1.726 1.00 0.00 O ATOM 834 CB GLN A 54 14.291 -3.684 -1.622 1.00 0.00 C ATOM 835 CG GLN A 54 15.311 -4.046 -0.530 1.00 0.00 C ATOM 836 CD GLN A 54 14.607 -4.849 0.569 1.00 0.00 C ATOM 837 OE1 GLN A 54 13.418 -5.098 0.507 1.00 0.00 O ATOM 838 NE2 GLN A 54 15.303 -5.277 1.588 1.00 0.00 N ATOM 0 H GLN A 54 12.138 -4.530 -0.853 1.00 0.00 H new ATOM 0 HA GLN A 54 13.550 -2.250 -0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.815 -4.589 -2.001 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.799 -3.214 -2.464 1.00 0.00 H new ATOM 0 HG2 GLN A 54 16.127 -4.629 -0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.750 -3.141 -0.111 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.300 -5.072 1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.849 -5.816 2.325 1.00 0.00 H new ATOM 847 N PRO A 55 12.478 -1.851 -3.246 1.00 0.00 N ATOM 848 CA PRO A 55 12.216 -0.791 -4.204 1.00 0.00 C ATOM 849 C PRO A 55 11.469 0.374 -3.574 1.00 0.00 C ATOM 850 O PRO A 55 11.818 1.509 -3.770 1.00 0.00 O ATOM 851 CB PRO A 55 11.342 -1.459 -5.306 1.00 0.00 C ATOM 852 CG PRO A 55 11.353 -2.998 -5.027 1.00 0.00 C ATOM 853 CD PRO A 55 12.156 -3.211 -3.715 1.00 0.00 C ATOM 0 HA PRO A 55 13.144 -0.373 -4.594 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.324 -1.070 -5.280 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.740 -1.244 -6.297 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.337 -3.379 -4.925 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.814 -3.537 -5.854 1.00 0.00 H new ATOM 0 HD2 PRO A 55 11.569 -3.756 -2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 55 13.061 -3.792 -3.895 1.00 0.00 H new ATOM 861 N TYR A 56 10.487 0.061 -2.811 1.00 0.00 N ATOM 862 CA TYR A 56 9.698 1.136 -2.159 1.00 0.00 C ATOM 863 C TYR A 56 10.506 1.927 -1.132 1.00 0.00 C ATOM 864 O TYR A 56 10.611 3.134 -1.226 1.00 0.00 O ATOM 865 CB TYR A 56 8.516 0.487 -1.451 1.00 0.00 C ATOM 866 CG TYR A 56 7.510 0.017 -2.490 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.713 0.927 -3.134 1.00 0.00 C ATOM 868 CD2 TYR A 56 7.360 -1.319 -2.767 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.758 0.505 -4.044 1.00 0.00 C ATOM 870 CE2 TYR A 56 6.419 -1.748 -3.675 1.00 0.00 C ATOM 871 CZ TYR A 56 5.606 -0.839 -4.323 1.00 0.00 C ATOM 872 OH TYR A 56 4.659 -1.265 -5.231 1.00 0.00 O ATOM 0 H TYR A 56 10.187 -0.891 -2.603 1.00 0.00 H new ATOM 0 HA TYR A 56 9.383 1.837 -2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.855 -0.355 -0.848 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.049 1.198 -0.770 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.830 1.981 -2.930 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.988 -2.042 -2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.129 1.231 -4.538 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.316 -2.803 -3.882 1.00 0.00 H new ATOM 0 HH TYR A 56 4.692 -2.242 -5.304 1.00 0.00 H new ATOM 882 N GLU A 57 11.068 1.247 -0.176 1.00 0.00 N ATOM 883 CA GLU A 57 11.859 1.977 0.845 1.00 0.00 C ATOM 884 C GLU A 57 13.042 2.665 0.191 1.00 0.00 C ATOM 885 O GLU A 57 13.443 3.753 0.567 1.00 0.00 O ATOM 886 CB GLU A 57 12.317 0.950 1.919 1.00 0.00 C ATOM 887 CG GLU A 57 13.594 0.216 1.493 1.00 0.00 C ATOM 888 CD GLU A 57 14.819 1.094 1.764 1.00 0.00 C ATOM 889 OE1 GLU A 57 14.838 1.684 2.833 1.00 0.00 O ATOM 890 OE2 GLU A 57 15.668 1.124 0.889 1.00 0.00 O ATOM 0 H GLU A 57 11.016 0.235 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 57 11.258 2.752 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.491 1.465 2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.521 0.225 2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.682 -0.724 2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.543 -0.034 0.433 1.00 0.00 H new ATOM 897 N LYS A 58 13.561 2.008 -0.770 1.00 0.00 N ATOM 898 CA LYS A 58 14.720 2.547 -1.509 1.00 0.00 C ATOM 899 C LYS A 58 14.325 3.770 -2.338 1.00 0.00 C ATOM 900 O LYS A 58 15.074 4.723 -2.426 1.00 0.00 O ATOM 901 CB LYS A 58 15.242 1.436 -2.453 1.00 0.00 C ATOM 902 CG LYS A 58 16.651 1.801 -2.965 1.00 0.00 C ATOM 903 CD LYS A 58 17.691 1.677 -1.812 1.00 0.00 C ATOM 904 CE LYS A 58 19.074 1.339 -2.399 1.00 0.00 C ATOM 905 NZ LYS A 58 19.261 2.007 -3.715 1.00 0.00 N ATOM 0 H LYS A 58 13.232 1.098 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 58 15.489 2.855 -0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.273 0.483 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.561 1.312 -3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.929 1.142 -3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.651 2.818 -3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.741 2.610 -1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.382 0.901 -1.112 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.856 1.657 -1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 58 19.172 0.260 -2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.277 2.089 -3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.801 1.444 -4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.836 2.956 -3.686 1.00 0.00 H new ATOM 919 N LYS A 59 13.157 3.727 -2.932 1.00 0.00 N ATOM 920 CA LYS A 59 12.719 4.878 -3.747 1.00 0.00 C ATOM 921 C LYS A 59 12.619 6.128 -2.890 1.00 0.00 C ATOM 922 O LYS A 59 13.102 7.184 -3.249 1.00 0.00 O ATOM 923 CB LYS A 59 11.312 4.563 -4.324 1.00 0.00 C ATOM 924 CG LYS A 59 11.058 5.443 -5.568 1.00 0.00 C ATOM 925 CD LYS A 59 9.548 5.625 -5.769 1.00 0.00 C ATOM 926 CE LYS A 59 9.294 6.304 -7.119 1.00 0.00 C ATOM 927 NZ LYS A 59 7.917 6.864 -7.168 1.00 0.00 N ATOM 0 H LYS A 59 12.501 2.948 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 59 13.442 5.049 -4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.244 3.508 -4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.547 4.751 -3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.538 6.414 -5.444 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.499 4.980 -6.450 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.046 4.658 -5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.132 6.228 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.023 7.100 -7.276 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.429 5.584 -7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.761 7.321 -8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.226 6.098 -7.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.800 7.566 -6.409 1.00 0.00 H new ATOM 941 N ALA A 60 11.986 5.974 -1.776 1.00 0.00 N ATOM 942 CA ALA A 60 11.817 7.115 -0.852 1.00 0.00 C ATOM 943 C ALA A 60 13.141 7.814 -0.532 1.00 0.00 C ATOM 944 O ALA A 60 13.207 9.028 -0.519 1.00 0.00 O ATOM 945 CB ALA A 60 11.227 6.579 0.458 1.00 0.00 C ATOM 0 H ALA A 60 11.573 5.097 -1.460 1.00 0.00 H new ATOM 0 HA ALA A 60 11.165 7.844 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.092 7.402 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.263 6.110 0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.906 5.843 0.889 1.00 0.00 H new ATOM 951 N ALA A 61 14.179 7.047 -0.277 1.00 0.00 N ATOM 952 CA ALA A 61 15.484 7.685 0.046 1.00 0.00 C ATOM 953 C ALA A 61 16.213 8.168 -1.193 1.00 0.00 C ATOM 954 O ALA A 61 17.046 9.048 -1.120 1.00 0.00 O ATOM 955 CB ALA A 61 16.357 6.650 0.757 1.00 0.00 C ATOM 0 H ALA A 61 14.174 6.027 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 61 15.291 8.554 0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 61 17.321 7.095 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.862 6.324 1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.511 5.792 0.102 1.00 0.00 H new ATOM 961 N LYS A 62 15.903 7.588 -2.297 1.00 0.00 N ATOM 962 CA LYS A 62 16.564 7.998 -3.540 1.00 0.00 C ATOM 963 C LYS A 62 16.051 9.346 -4.027 1.00 0.00 C ATOM 964 O LYS A 62 16.814 10.190 -4.453 1.00 0.00 O ATOM 965 CB LYS A 62 16.226 6.929 -4.606 1.00 0.00 C ATOM 966 CG LYS A 62 17.236 5.751 -4.524 1.00 0.00 C ATOM 967 CD LYS A 62 18.418 5.995 -5.500 1.00 0.00 C ATOM 968 CE LYS A 62 19.341 4.745 -5.549 1.00 0.00 C ATOM 969 NZ LYS A 62 19.734 4.445 -6.956 1.00 0.00 N ATOM 0 H LYS A 62 15.215 6.841 -2.393 1.00 0.00 H new ATOM 0 HA LYS A 62 17.637 8.089 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.212 6.560 -4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 62 16.256 7.374 -5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.610 5.652 -3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 62 16.736 4.815 -4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 62 18.036 6.214 -6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 62 18.990 6.866 -5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 62 20.232 4.919 -4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.825 3.887 -5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.350 3.608 -6.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.882 4.259 -7.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 20.244 5.259 -7.355 1.00 0.00 H new ATOM 983 N LEU A 63 14.765 9.521 -3.955 1.00 0.00 N ATOM 984 CA LEU A 63 14.172 10.792 -4.412 1.00 0.00 C ATOM 985 C LEU A 63 14.189 11.915 -3.380 1.00 0.00 C ATOM 986 O LEU A 63 14.228 13.043 -3.763 1.00 0.00 O ATOM 987 CB LEU A 63 12.707 10.505 -4.821 1.00 0.00 C ATOM 988 CG LEU A 63 11.809 10.280 -3.546 1.00 0.00 C ATOM 989 CD1 LEU A 63 11.089 11.592 -3.139 1.00 0.00 C ATOM 990 CD2 LEU A 63 10.738 9.220 -3.858 1.00 0.00 C ATOM 0 H LEU A 63 14.101 8.834 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 63 14.784 11.149 -5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 63 12.317 11.339 -5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.668 9.623 -5.460 1.00 0.00 H new ATOM 0 HG LEU A 63 12.452 9.953 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.475 11.412 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.830 12.359 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.455 11.929 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.115 9.062 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.117 9.563 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.223 8.283 -4.132 1.00 0.00 H new ATOM 1002 N LYS A 64 14.194 11.614 -2.100 1.00 0.00 N ATOM 1003 CA LYS A 64 14.203 12.749 -1.114 1.00 0.00 C ATOM 1004 C LYS A 64 15.397 13.661 -1.309 1.00 0.00 C ATOM 1005 O LYS A 64 15.245 14.861 -1.520 1.00 0.00 O ATOM 1006 CB LYS A 64 14.249 12.198 0.323 1.00 0.00 C ATOM 1007 CG LYS A 64 13.884 13.350 1.303 1.00 0.00 C ATOM 1008 CD LYS A 64 14.448 13.051 2.704 1.00 0.00 C ATOM 1009 CE LYS A 64 13.647 11.922 3.351 1.00 0.00 C ATOM 1010 NZ LYS A 64 14.026 11.783 4.785 1.00 0.00 N ATOM 0 H LYS A 64 14.192 10.673 -1.706 1.00 0.00 H new ATOM 0 HA LYS A 64 13.291 13.323 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.549 11.370 0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.242 11.809 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.287 14.293 0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.801 13.464 1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.498 12.769 2.631 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.400 13.946 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.580 12.128 3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.833 10.986 2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.476 11.013 5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.041 11.566 4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.826 12.673 5.285 1.00 0.00 H new ATOM 1024 N GLU A 65 16.560 13.096 -1.228 1.00 0.00 N ATOM 1025 CA GLU A 65 17.768 13.907 -1.402 1.00 0.00 C ATOM 1026 C GLU A 65 17.670 14.723 -2.678 1.00 0.00 C ATOM 1027 O GLU A 65 18.028 15.885 -2.713 1.00 0.00 O ATOM 1028 CB GLU A 65 18.964 12.957 -1.493 1.00 0.00 C ATOM 1029 CG GLU A 65 18.911 11.965 -0.324 1.00 0.00 C ATOM 1030 CD GLU A 65 20.214 11.166 -0.276 1.00 0.00 C ATOM 1031 OE1 GLU A 65 21.220 11.748 -0.647 1.00 0.00 O ATOM 1032 OE2 GLU A 65 20.130 10.017 0.126 1.00 0.00 O ATOM 0 H GLU A 65 16.719 12.105 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 65 17.883 14.592 -0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 65 18.946 12.421 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 65 19.896 13.522 -1.464 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.765 12.500 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.063 11.291 -0.443 1.00 0.00 H new ATOM 1039 N LYS A 66 17.182 14.094 -3.699 1.00 0.00 N ATOM 1040 CA LYS A 66 17.035 14.781 -4.990 1.00 0.00 C ATOM 1041 C LYS A 66 15.810 15.674 -4.980 1.00 0.00 C ATOM 1042 O LYS A 66 15.727 16.644 -5.705 1.00 0.00 O ATOM 1043 CB LYS A 66 16.825 13.688 -6.045 1.00 0.00 C ATOM 1044 CG LYS A 66 16.399 14.310 -7.420 1.00 0.00 C ATOM 1045 CD LYS A 66 14.877 14.127 -7.630 1.00 0.00 C ATOM 1046 CE LYS A 66 14.420 14.946 -8.842 1.00 0.00 C ATOM 1047 NZ LYS A 66 12.932 15.050 -8.867 1.00 0.00 N ATOM 0 H LYS A 66 16.876 13.121 -3.689 1.00 0.00 H new ATOM 0 HA LYS A 66 17.912 15.395 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.745 13.116 -6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 66 16.060 12.991 -5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 66 16.654 15.370 -7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 66 16.947 13.831 -8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.646 13.073 -7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.336 14.446 -6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.860 15.942 -8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.774 14.477 -9.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.637 15.608 -9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.518 14.098 -8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.602 15.517 -7.998 1.00 0.00 H new ATOM 1061 N TYR A 67 14.891 15.324 -4.148 1.00 0.00 N ATOM 1062 CA TYR A 67 13.644 16.112 -4.050 1.00 0.00 C ATOM 1063 C TYR A 67 13.875 17.557 -3.648 1.00 0.00 C ATOM 1064 O TYR A 67 14.154 18.387 -4.471 1.00 0.00 O ATOM 1065 CB TYR A 67 12.684 15.453 -3.007 1.00 0.00 C ATOM 1066 CG TYR A 67 11.290 16.099 -3.081 1.00 0.00 C ATOM 1067 CD1 TYR A 67 10.487 15.853 -4.156 1.00 0.00 C ATOM 1068 CD2 TYR A 67 10.798 16.870 -2.048 1.00 0.00 C ATOM 1069 CE1 TYR A 67 9.200 16.359 -4.209 1.00 0.00 C ATOM 1070 CE2 TYR A 67 9.510 17.376 -2.098 1.00 0.00 C ATOM 1071 CZ TYR A 67 8.706 17.122 -3.182 1.00 0.00 C ATOM 1072 OH TYR A 67 7.423 17.622 -3.238 1.00 0.00 O ATOM 0 H TYR A 67 14.946 14.519 -3.524 1.00 0.00 H new ATOM 0 HA TYR A 67 13.204 16.115 -5.047 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.607 14.383 -3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.093 15.568 -2.003 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.860 15.256 -4.975 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.423 17.081 -1.193 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.579 16.151 -5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.136 17.974 -1.280 1.00 0.00 H new ATOM 0 HH TYR A 67 7.238 18.139 -2.426 1.00 0.00 H new ATOM 1082 N GLU A 68 13.783 17.823 -2.391 1.00 0.00 N ATOM 1083 CA GLU A 68 13.974 19.204 -1.912 1.00 0.00 C ATOM 1084 C GLU A 68 15.165 19.918 -2.530 1.00 0.00 C ATOM 1085 O GLU A 68 15.304 21.115 -2.379 1.00 0.00 O ATOM 1086 CB GLU A 68 14.150 19.151 -0.390 1.00 0.00 C ATOM 1087 CG GLU A 68 12.767 18.900 0.310 1.00 0.00 C ATOM 1088 CD GLU A 68 12.708 19.671 1.639 1.00 0.00 C ATOM 1089 OE1 GLU A 68 12.587 20.882 1.557 1.00 0.00 O ATOM 1090 OE2 GLU A 68 12.789 19.002 2.656 1.00 0.00 O ATOM 0 H GLU A 68 13.581 17.136 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 68 13.096 19.777 -2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.849 18.357 -0.125 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.581 20.087 -0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.955 19.220 -0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.629 17.834 0.491 1.00 0.00 H new ATOM 1097 N LYS A 69 15.990 19.214 -3.198 1.00 0.00 N ATOM 1098 CA LYS A 69 17.151 19.894 -3.802 1.00 0.00 C ATOM 1099 C LYS A 69 16.726 20.884 -4.904 1.00 0.00 C ATOM 1100 O LYS A 69 17.095 22.041 -4.868 1.00 0.00 O ATOM 1101 CB LYS A 69 18.099 18.841 -4.412 1.00 0.00 C ATOM 1102 CG LYS A 69 19.224 19.565 -5.202 1.00 0.00 C ATOM 1103 CD LYS A 69 20.467 18.678 -5.265 1.00 0.00 C ATOM 1104 CE LYS A 69 21.564 19.408 -6.054 1.00 0.00 C ATOM 1105 NZ LYS A 69 21.740 20.801 -5.547 1.00 0.00 N ATOM 0 H LYS A 69 15.924 18.209 -3.358 1.00 0.00 H new ATOM 0 HA LYS A 69 17.654 20.456 -3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 69 18.531 18.223 -3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.545 18.174 -5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.881 19.798 -6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 69 19.466 20.513 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 69 20.817 18.448 -4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 69 20.228 17.728 -5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 69 22.504 18.863 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 69 21.304 19.431 -7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 22.709 21.123 -5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 21.062 21.431 -6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 21.572 20.821 -4.521 1.00 0.00 H new ATOM 1119 N ASP A 70 15.952 20.412 -5.862 1.00 0.00 N ATOM 1120 CA ASP A 70 15.501 21.315 -6.975 1.00 0.00 C ATOM 1121 C ASP A 70 14.037 21.765 -6.831 1.00 0.00 C ATOM 1122 O ASP A 70 13.623 22.716 -7.464 1.00 0.00 O ATOM 1123 CB ASP A 70 15.626 20.512 -8.278 1.00 0.00 C ATOM 1124 CG ASP A 70 17.106 20.354 -8.652 1.00 0.00 C ATOM 1125 OD1 ASP A 70 17.876 21.169 -8.176 1.00 0.00 O ATOM 1126 OD2 ASP A 70 17.377 19.422 -9.393 1.00 0.00 O ATOM 0 H ASP A 70 15.617 19.450 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 70 16.117 22.214 -6.960 1.00 0.00 H new ATOM 0 HB2 ASP A 70 15.165 19.532 -8.157 1.00 0.00 H new ATOM 0 HB3 ASP A 70 15.091 21.019 -9.081 1.00 0.00 H new ATOM 1131 N ILE A 71 13.285 21.086 -6.015 1.00 0.00 N ATOM 1132 CA ILE A 71 11.880 21.469 -5.842 1.00 0.00 C ATOM 1133 C ILE A 71 11.806 22.924 -5.410 1.00 0.00 C ATOM 1134 O ILE A 71 10.928 23.658 -5.811 1.00 0.00 O ATOM 1135 CB ILE A 71 11.282 20.585 -4.721 1.00 0.00 C ATOM 1136 CG1 ILE A 71 11.348 19.040 -5.026 1.00 0.00 C ATOM 1137 CG2 ILE A 71 9.803 20.927 -4.508 1.00 0.00 C ATOM 1138 CD1 ILE A 71 12.052 18.685 -6.357 1.00 0.00 C ATOM 0 H ILE A 71 13.592 20.284 -5.465 1.00 0.00 H new ATOM 0 HA ILE A 71 11.332 21.338 -6.775 1.00 0.00 H new ATOM 0 HB ILE A 71 11.889 20.795 -3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 71 11.869 18.542 -4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 71 10.334 18.642 -5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.394 20.298 -3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.709 21.975 -4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.252 20.751 -5.432 1.00 0.00 H new ATOM 0 HD11 ILE A 71 12.054 17.603 -6.490 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.520 19.151 -7.186 1.00 0.00 H new ATOM 0 HD13 ILE A 71 13.079 19.050 -6.334 1.00 0.00 H new ATOM 1150 N ALA A 72 12.741 23.306 -4.583 1.00 0.00 N ATOM 1151 CA ALA A 72 12.778 24.708 -4.086 1.00 0.00 C ATOM 1152 C ALA A 72 12.406 25.706 -5.188 1.00 0.00 C ATOM 1153 O ALA A 72 11.593 26.585 -4.985 1.00 0.00 O ATOM 1154 CB ALA A 72 14.217 25.003 -3.605 1.00 0.00 C ATOM 0 H ALA A 72 13.484 22.703 -4.229 1.00 0.00 H new ATOM 0 HA ALA A 72 12.055 24.817 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.274 26.026 -3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.482 24.312 -2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 72 14.911 24.879 -4.436 1.00 0.00 H new ATOM 1160 N ALA A 73 13.013 25.548 -6.332 1.00 0.00 N ATOM 1161 CA ALA A 73 12.718 26.465 -7.456 1.00 0.00 C ATOM 1162 C ALA A 73 11.471 26.037 -8.215 1.00 0.00 C ATOM 1163 O ALA A 73 10.896 26.813 -8.952 1.00 0.00 O ATOM 1164 CB ALA A 73 13.904 26.424 -8.426 1.00 0.00 C ATOM 0 H ALA A 73 13.700 24.821 -6.532 1.00 0.00 H new ATOM 0 HA ALA A 73 12.553 27.465 -7.055 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.711 27.093 -9.265 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.809 26.743 -7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.037 25.407 -8.796 1.00 0.00 H new ATOM 1170 N TYR A 74 11.072 24.813 -8.029 1.00 0.00 N ATOM 1171 CA TYR A 74 9.871 24.336 -8.739 1.00 0.00 C ATOM 1172 C TYR A 74 8.624 25.074 -8.262 1.00 0.00 C ATOM 1173 O TYR A 74 8.707 26.017 -7.500 1.00 0.00 O ATOM 1174 CB TYR A 74 9.730 22.811 -8.482 1.00 0.00 C ATOM 1175 CG TYR A 74 8.511 22.205 -9.190 1.00 0.00 C ATOM 1176 CD1 TYR A 74 8.199 22.535 -10.501 1.00 0.00 C ATOM 1177 CD2 TYR A 74 7.699 21.318 -8.513 1.00 0.00 C ATOM 1178 CE1 TYR A 74 7.086 21.991 -11.111 1.00 0.00 C ATOM 1179 CE2 TYR A 74 6.586 20.780 -9.126 1.00 0.00 C ATOM 1180 CZ TYR A 74 6.272 21.111 -10.427 1.00 0.00 C ATOM 1181 OH TYR A 74 5.155 20.573 -11.035 1.00 0.00 O ATOM 0 H TYR A 74 11.525 24.131 -7.420 1.00 0.00 H new ATOM 0 HA TYR A 74 9.975 24.530 -9.806 1.00 0.00 H new ATOM 0 HB2 TYR A 74 10.633 22.304 -8.822 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.649 22.633 -7.410 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.830 23.221 -11.047 1.00 0.00 H new ATOM 0 HD2 TYR A 74 7.936 21.043 -7.496 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.851 22.256 -12.131 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.955 20.093 -8.582 1.00 0.00 H new ATOM 0 HH TYR A 74 4.699 19.973 -10.409 1.00 0.00 H new ATOM 1191 N ARG A 75 7.492 24.621 -8.726 1.00 0.00 N ATOM 1192 CA ARG A 75 6.204 25.242 -8.351 1.00 0.00 C ATOM 1193 C ARG A 75 5.317 24.252 -7.617 1.00 0.00 C ATOM 1194 O ARG A 75 5.787 23.312 -7.008 1.00 0.00 O ATOM 1195 CB ARG A 75 5.485 25.639 -9.649 1.00 0.00 C ATOM 1196 CG ARG A 75 6.415 26.466 -10.542 1.00 0.00 C ATOM 1197 CD ARG A 75 5.700 26.731 -11.874 1.00 0.00 C ATOM 1198 NE ARG A 75 6.529 27.640 -12.711 1.00 0.00 N ATOM 1199 CZ ARG A 75 6.233 27.788 -13.978 1.00 0.00 C ATOM 1200 NH1 ARG A 75 5.219 27.130 -14.472 1.00 0.00 N ATOM 1201 NH2 ARG A 75 6.959 28.592 -14.704 1.00 0.00 N ATOM 0 H ARG A 75 7.411 23.829 -9.363 1.00 0.00 H new ATOM 0 HA ARG A 75 6.394 26.098 -7.704 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.160 24.745 -10.181 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.589 26.214 -9.415 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.670 27.407 -10.055 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.350 25.932 -10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.528 25.792 -12.400 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.723 27.178 -11.692 1.00 0.00 H new ATOM 0 HE ARG A 75 7.318 28.142 -12.303 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.671 26.512 -13.873 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.975 27.234 -15.457 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.742 29.092 -14.283 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.744 28.720 -15.693 1.00 0.00 H new ATOM 1215 N ALA A 76 4.043 24.489 -7.694 1.00 0.00 N ATOM 1216 CA ALA A 76 3.085 23.596 -7.025 1.00 0.00 C ATOM 1217 C ALA A 76 1.669 23.908 -7.487 1.00 0.00 C ATOM 1218 O ALA A 76 0.749 23.957 -6.697 1.00 0.00 O ATOM 1219 CB ALA A 76 3.183 23.821 -5.507 1.00 0.00 C ATOM 0 H ALA A 76 3.627 25.272 -8.198 1.00 0.00 H new ATOM 0 HA ALA A 76 3.318 22.560 -7.272 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.478 23.165 -4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.196 23.598 -5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.945 24.860 -5.277 1.00 0.00 H new ATOM 1225 N LYS A 77 1.526 24.115 -8.768 1.00 0.00 N ATOM 1226 CA LYS A 77 0.183 24.428 -9.321 1.00 0.00 C ATOM 1227 C LYS A 77 -0.867 23.443 -8.802 1.00 0.00 C ATOM 1228 O LYS A 77 -1.455 23.768 -7.786 1.00 0.00 O ATOM 1229 CB LYS A 77 0.259 24.331 -10.858 1.00 0.00 C ATOM 1230 CG LYS A 77 -0.967 25.015 -11.467 1.00 0.00 C ATOM 1231 CD LYS A 77 -0.925 24.866 -12.996 1.00 0.00 C ATOM 1232 CE LYS A 77 -1.898 25.865 -13.630 1.00 0.00 C ATOM 1233 NZ LYS A 77 -2.163 25.505 -15.054 1.00 0.00 N ATOM 1234 OXT LYS A 77 -1.025 22.421 -9.450 1.00 0.00 O ATOM 0 H LYS A 77 2.282 24.080 -9.452 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.109 25.431 -9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.172 24.805 -11.219 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.298 23.286 -11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.880 24.570 -11.072 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.983 26.070 -11.193 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.086 25.043 -13.362 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.193 23.849 -13.281 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.834 25.875 -13.071 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.483 26.871 -13.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.824 26.192 -15.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.270 25.518 -15.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.579 24.553 -15.100 1.00 0.00 H new TER 1248 LYS A 77