USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 784 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -119:sc= -0.329 (180deg=-1.95!) USER MOD Single : A 11 LYS NZ :NH3+ -133:sc= -0.653 (180deg=-1.25) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0814 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -143:sc= 0.164 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.1 USER MOD Single : A 46 MET CE :methyl 152:sc= -0.0812 (180deg=-1.97!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 51 MET CE :methyl -165:sc= -9.59! (180deg=-9.91!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -3.48! K(o=-3.5!,f=-0.81) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 8:sc= -0.79 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-2.6!) USER MOD Single : A 82 ASN : amide:sc= -6.52! K(o=-6.5!,f=-2.3) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= -0.134! (180deg=-0.33!) USER MOD Single : A 89 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.263) USER MOD Single : A 93 ASN : amide:sc= -3.68! C(o=-3.7!,f=-7.6!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.138 9.904 1.651 1.00 0.00 N ATOM 2 CA GLY A 1 -18.071 10.701 0.984 1.00 0.00 C ATOM 3 C GLY A 1 -17.789 10.226 -0.429 1.00 0.00 C ATOM 4 O GLY A 1 -16.728 9.665 -0.702 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.293 10.268 2.613 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.020 9.980 1.106 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.847 8.907 1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.367 11.750 0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.156 10.642 1.573 1.00 0.00 H new ATOM 10 N SER A 2 -18.742 10.452 -1.326 1.00 0.00 N ATOM 11 CA SER A 2 -18.594 10.044 -2.719 1.00 0.00 C ATOM 12 C SER A 2 -17.917 11.141 -3.537 1.00 0.00 C ATOM 13 O SER A 2 -18.483 12.215 -3.742 1.00 0.00 O ATOM 14 CB SER A 2 -19.962 9.711 -3.321 1.00 0.00 C ATOM 15 OG SER A 2 -20.043 8.338 -3.667 1.00 0.00 O ATOM 0 H SER A 2 -19.626 10.915 -1.114 1.00 0.00 H new ATOM 0 HA SER A 2 -17.965 9.154 -2.748 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.748 9.957 -2.606 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.133 10.324 -4.206 1.00 0.00 H new ATOM 0 HG SER A 2 -20.926 8.148 -4.048 1.00 0.00 H new ATOM 21 N HIS A 3 -16.703 10.863 -4.001 1.00 0.00 N ATOM 22 CA HIS A 3 -15.949 11.826 -4.796 1.00 0.00 C ATOM 23 C HIS A 3 -14.961 11.118 -5.718 1.00 0.00 C ATOM 24 O HIS A 3 -15.028 11.256 -6.940 1.00 0.00 O ATOM 25 CB HIS A 3 -15.207 12.804 -3.880 1.00 0.00 C ATOM 26 CG HIS A 3 -15.836 14.161 -3.821 1.00 0.00 C ATOM 27 ND1 HIS A 3 -15.819 15.047 -4.878 1.00 0.00 N ATOM 28 CD2 HIS A 3 -16.506 14.786 -2.823 1.00 0.00 C ATOM 29 CE1 HIS A 3 -16.448 16.156 -4.536 1.00 0.00 C ATOM 30 NE2 HIS A 3 -16.875 16.023 -3.293 1.00 0.00 N ATOM 0 H HIS A 3 -16.220 9.979 -3.840 1.00 0.00 H new ATOM 0 HA HIS A 3 -16.654 12.383 -5.413 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -15.166 12.387 -2.874 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -14.178 12.904 -4.226 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -16.712 14.386 -1.841 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -16.589 17.023 -5.164 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -17.395 16.725 -2.767 1.00 0.00 H new ATOM 38 N MET A 4 -14.042 10.362 -5.126 1.00 0.00 N ATOM 39 CA MET A 4 -13.040 9.635 -5.894 1.00 0.00 C ATOM 40 C MET A 4 -12.189 10.590 -6.724 1.00 0.00 C ATOM 41 O MET A 4 -12.546 10.938 -7.850 1.00 0.00 O ATOM 42 CB MET A 4 -13.711 8.607 -6.806 1.00 0.00 C ATOM 43 CG MET A 4 -14.660 7.672 -6.076 1.00 0.00 C ATOM 44 SD MET A 4 -15.002 6.164 -7.002 1.00 0.00 S ATOM 45 CE MET A 4 -16.310 6.724 -8.089 1.00 0.00 C ATOM 0 H MET A 4 -13.971 10.237 -4.116 1.00 0.00 H new ATOM 0 HA MET A 4 -12.389 9.116 -5.191 1.00 0.00 H new ATOM 0 HB2 MET A 4 -14.261 9.131 -7.587 1.00 0.00 H new ATOM 0 HB3 MET A 4 -12.941 8.015 -7.301 1.00 0.00 H new ATOM 0 HG2 MET A 4 -14.232 7.410 -5.108 1.00 0.00 H new ATOM 0 HG3 MET A 4 -15.597 8.193 -5.880 1.00 0.00 H new ATOM 0 HE1 MET A 4 -16.630 5.901 -8.727 1.00 0.00 H new ATOM 0 HE2 MET A 4 -17.155 7.071 -7.493 1.00 0.00 H new ATOM 0 HE3 MET A 4 -15.943 7.542 -8.709 1.00 0.00 H new ATOM 55 N GLN A 5 -11.063 11.012 -6.160 1.00 0.00 N ATOM 56 CA GLN A 5 -10.160 11.928 -6.846 1.00 0.00 C ATOM 57 C GLN A 5 -9.420 11.218 -7.975 1.00 0.00 C ATOM 58 O GLN A 5 -9.512 11.615 -9.138 1.00 0.00 O ATOM 59 CB GLN A 5 -9.154 12.519 -5.857 1.00 0.00 C ATOM 60 CG GLN A 5 -9.656 13.765 -5.146 1.00 0.00 C ATOM 61 CD GLN A 5 -8.891 14.055 -3.869 1.00 0.00 C ATOM 62 OE1 GLN A 5 -8.905 13.259 -2.930 1.00 0.00 O ATOM 63 NE2 GLN A 5 -8.219 15.199 -3.829 1.00 0.00 N ATOM 0 H GLN A 5 -10.754 10.734 -5.229 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.756 12.733 -7.275 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.903 11.763 -5.113 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.234 12.761 -6.389 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.573 14.620 -5.817 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.714 13.644 -4.912 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.236 15.829 -4.631 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.686 15.448 -2.996 1.00 0.00 H new ATOM 72 N ALA A 6 -8.684 10.170 -7.623 1.00 0.00 N ATOM 73 CA ALA A 6 -7.923 9.405 -8.602 1.00 0.00 C ATOM 74 C ALA A 6 -8.831 8.515 -9.446 1.00 0.00 C ATOM 75 O ALA A 6 -9.892 8.082 -8.994 1.00 0.00 O ATOM 76 CB ALA A 6 -6.863 8.568 -7.902 1.00 0.00 C ATOM 0 H ALA A 6 -8.599 9.831 -6.665 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.435 10.111 -9.274 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.300 8.000 -8.643 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.185 9.223 -7.355 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.343 7.880 -7.206 1.00 0.00 H new ATOM 82 N THR A 7 -8.404 8.249 -10.676 1.00 0.00 N ATOM 83 CA THR A 7 -9.173 7.412 -11.592 1.00 0.00 C ATOM 84 C THR A 7 -8.549 6.026 -11.723 1.00 0.00 C ATOM 85 O THR A 7 -7.337 5.895 -11.896 1.00 0.00 O ATOM 86 CB THR A 7 -9.263 8.071 -12.969 1.00 0.00 C ATOM 87 OG1 THR A 7 -9.731 9.403 -12.858 1.00 0.00 O ATOM 88 CG2 THR A 7 -10.184 7.338 -13.922 1.00 0.00 C ATOM 0 H THR A 7 -7.528 8.601 -11.063 1.00 0.00 H new ATOM 0 HA THR A 7 -10.177 7.302 -11.181 1.00 0.00 H new ATOM 0 HB THR A 7 -8.250 8.041 -13.371 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.780 9.808 -13.749 1.00 0.00 H new ATOM 0 HG21 THR A 7 -10.203 7.857 -14.880 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.822 6.320 -14.067 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.191 7.309 -13.505 1.00 0.00 H new ATOM 96 N TRP A 8 -9.384 4.994 -11.637 1.00 0.00 N ATOM 97 CA TRP A 8 -8.909 3.619 -11.744 1.00 0.00 C ATOM 98 C TRP A 8 -9.877 2.761 -12.551 1.00 0.00 C ATOM 99 O TRP A 8 -11.081 3.014 -12.576 1.00 0.00 O ATOM 100 CB TRP A 8 -8.714 3.018 -10.352 1.00 0.00 C ATOM 101 CG TRP A 8 -7.636 3.698 -9.566 1.00 0.00 C ATOM 102 CD1 TRP A 8 -7.711 4.918 -8.957 1.00 0.00 C ATOM 103 CD2 TRP A 8 -6.320 3.200 -9.308 1.00 0.00 C ATOM 104 NE1 TRP A 8 -6.522 5.208 -8.334 1.00 0.00 N ATOM 105 CE2 TRP A 8 -5.652 4.170 -8.534 1.00 0.00 C ATOM 106 CE3 TRP A 8 -5.639 2.029 -9.651 1.00 0.00 C ATOM 107 CZ2 TRP A 8 -4.340 4.003 -8.102 1.00 0.00 C ATOM 108 CZ3 TRP A 8 -4.339 1.867 -9.223 1.00 0.00 C ATOM 109 CH2 TRP A 8 -3.700 2.848 -8.455 1.00 0.00 C ATOM 0 H TRP A 8 -10.390 5.084 -11.494 1.00 0.00 H new ATOM 0 HA TRP A 8 -7.952 3.634 -12.266 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -9.652 3.081 -9.801 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -8.472 1.960 -10.450 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -8.579 5.561 -8.964 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -6.320 6.058 -7.808 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -6.123 1.265 -10.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.845 4.758 -7.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.803 0.967 -9.485 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.681 2.689 -8.135 1.00 0.00 H new ATOM 120 N LYS A 9 -9.337 1.733 -13.198 1.00 0.00 N ATOM 121 CA LYS A 9 -10.140 0.813 -13.996 1.00 0.00 C ATOM 122 C LYS A 9 -9.542 -0.587 -13.945 1.00 0.00 C ATOM 123 O LYS A 9 -9.568 -1.321 -14.932 1.00 0.00 O ATOM 124 CB LYS A 9 -10.223 1.294 -15.445 1.00 0.00 C ATOM 125 CG LYS A 9 -8.870 1.430 -16.122 1.00 0.00 C ATOM 126 CD LYS A 9 -9.006 2.026 -17.513 1.00 0.00 C ATOM 127 CE LYS A 9 -9.479 0.989 -18.518 1.00 0.00 C ATOM 128 NZ LYS A 9 -10.962 0.873 -18.542 1.00 0.00 N ATOM 0 H LYS A 9 -8.341 1.515 -13.185 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.147 0.783 -13.580 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.836 0.596 -16.015 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.730 2.258 -15.470 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.219 2.061 -15.516 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.394 0.452 -16.188 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.711 2.857 -17.487 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.046 2.432 -17.832 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.120 1.257 -19.512 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.043 0.021 -18.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.239 -0.094 -18.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.374 1.549 -17.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.311 1.083 -19.499 1.00 0.00 H new ATOM 142 N GLU A 10 -8.984 -0.940 -12.794 1.00 0.00 N ATOM 143 CA GLU A 10 -8.354 -2.241 -12.619 1.00 0.00 C ATOM 144 C GLU A 10 -9.375 -3.370 -12.516 1.00 0.00 C ATOM 145 O GLU A 10 -10.366 -3.267 -11.793 1.00 0.00 O ATOM 146 CB GLU A 10 -7.451 -2.224 -11.386 1.00 0.00 C ATOM 147 CG GLU A 10 -8.204 -2.029 -10.080 1.00 0.00 C ATOM 148 CD GLU A 10 -7.357 -1.359 -9.015 1.00 0.00 C ATOM 149 OE1 GLU A 10 -6.384 -1.988 -8.548 1.00 0.00 O ATOM 150 OE2 GLU A 10 -7.666 -0.206 -8.649 1.00 0.00 O ATOM 0 H GLU A 10 -8.955 -0.343 -11.968 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.752 -2.435 -13.507 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.897 -3.162 -11.339 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.717 -1.425 -11.495 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.094 -1.427 -10.264 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.545 -2.997 -9.713 1.00 0.00 H new ATOM 157 N LYS A 11 -9.113 -4.450 -13.249 1.00 0.00 N ATOM 158 CA LYS A 11 -9.991 -5.619 -13.256 1.00 0.00 C ATOM 159 C LYS A 11 -9.940 -6.347 -11.907 1.00 0.00 C ATOM 160 O LYS A 11 -9.677 -5.726 -10.878 1.00 0.00 O ATOM 161 CB LYS A 11 -9.608 -6.559 -14.411 1.00 0.00 C ATOM 162 CG LYS A 11 -8.132 -6.925 -14.455 1.00 0.00 C ATOM 163 CD LYS A 11 -7.700 -7.312 -15.862 1.00 0.00 C ATOM 164 CE LYS A 11 -8.011 -8.770 -16.159 1.00 0.00 C ATOM 165 NZ LYS A 11 -7.365 -9.689 -15.181 1.00 0.00 N ATOM 0 H LYS A 11 -8.294 -4.540 -13.850 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.017 -5.286 -13.411 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.195 -7.474 -14.330 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.882 -6.087 -15.355 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.535 -6.081 -14.108 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.940 -7.753 -13.773 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.207 -6.676 -16.587 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.630 -7.136 -15.977 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.090 -8.921 -16.140 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.672 -9.015 -17.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.899 -10.466 -15.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.658 -9.165 -14.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.087 -10.078 -14.541 1.00 0.00 H new ATOM 179 N ASP A 12 -10.205 -7.655 -11.905 1.00 0.00 N ATOM 180 CA ASP A 12 -10.194 -8.429 -10.666 1.00 0.00 C ATOM 181 C ASP A 12 -9.334 -9.686 -10.795 1.00 0.00 C ATOM 182 O ASP A 12 -9.561 -10.672 -10.093 1.00 0.00 O ATOM 183 CB ASP A 12 -11.621 -8.819 -10.276 1.00 0.00 C ATOM 184 CG ASP A 12 -11.840 -8.789 -8.778 1.00 0.00 C ATOM 185 OD1 ASP A 12 -11.536 -9.804 -8.113 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.314 -7.753 -8.267 1.00 0.00 O ATOM 0 H ASP A 12 -10.428 -8.195 -12.741 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.760 -7.800 -9.888 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.325 -8.139 -10.757 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.837 -9.819 -10.652 1.00 0.00 H new ATOM 191 N GLY A 13 -8.360 -9.656 -11.699 1.00 0.00 N ATOM 192 CA GLY A 13 -7.502 -10.814 -11.900 1.00 0.00 C ATOM 193 C GLY A 13 -6.115 -10.647 -11.309 1.00 0.00 C ATOM 194 O GLY A 13 -5.912 -9.849 -10.394 1.00 0.00 O ATOM 0 H GLY A 13 -8.148 -8.855 -12.295 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.975 -11.689 -11.455 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.412 -11.009 -12.969 1.00 0.00 H new ATOM 198 N ALA A 14 -5.161 -11.418 -11.827 1.00 0.00 N ATOM 199 CA ALA A 14 -3.784 -11.379 -11.342 1.00 0.00 C ATOM 200 C ALA A 14 -3.066 -10.092 -11.742 1.00 0.00 C ATOM 201 O ALA A 14 -3.654 -9.200 -12.354 1.00 0.00 O ATOM 202 CB ALA A 14 -3.016 -12.590 -11.851 1.00 0.00 C ATOM 0 H ALA A 14 -5.318 -12.080 -12.587 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.822 -11.403 -10.253 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.990 -12.551 -11.484 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.495 -13.501 -11.494 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.011 -12.586 -12.941 1.00 0.00 H new ATOM 208 N VAL A 15 -1.770 -10.032 -11.432 1.00 0.00 N ATOM 209 CA VAL A 15 -0.938 -8.889 -11.800 1.00 0.00 C ATOM 210 C VAL A 15 -0.742 -8.811 -13.310 1.00 0.00 C ATOM 211 O VAL A 15 -0.696 -9.839 -13.987 1.00 0.00 O ATOM 212 CB VAL A 15 0.439 -8.928 -11.115 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.222 -10.161 -11.538 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.222 -7.657 -11.415 1.00 0.00 C ATOM 0 H VAL A 15 -1.274 -10.765 -10.925 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.470 -8.002 -11.456 1.00 0.00 H new ATOM 0 HB VAL A 15 0.282 -8.986 -10.038 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.192 -10.165 -11.040 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.668 -11.057 -11.260 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.369 -10.146 -12.618 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.193 -7.703 -10.922 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.366 -7.564 -12.491 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.669 -6.793 -11.047 1.00 0.00 H new ATOM 224 N GLU A 16 -0.578 -7.603 -13.831 1.00 0.00 N ATOM 225 CA GLU A 16 -0.330 -7.411 -15.253 1.00 0.00 C ATOM 226 C GLU A 16 0.774 -6.374 -15.449 1.00 0.00 C ATOM 227 O GLU A 16 1.135 -5.661 -14.514 1.00 0.00 O ATOM 228 CB GLU A 16 -1.606 -6.996 -15.993 1.00 0.00 C ATOM 229 CG GLU A 16 -2.454 -8.176 -16.439 1.00 0.00 C ATOM 230 CD GLU A 16 -3.062 -7.975 -17.814 1.00 0.00 C ATOM 231 OE1 GLU A 16 -3.036 -6.830 -18.314 1.00 0.00 O ATOM 232 OE2 GLU A 16 -3.563 -8.962 -18.392 1.00 0.00 O ATOM 0 H GLU A 16 -0.612 -6.740 -13.289 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.005 -8.361 -15.677 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.202 -6.354 -15.344 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.335 -6.402 -16.866 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.840 -9.077 -16.446 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.252 -8.339 -15.714 1.00 0.00 H new ATOM 239 N ALA A 17 1.332 -6.344 -16.655 1.00 0.00 N ATOM 240 CA ALA A 17 2.445 -5.442 -16.991 1.00 0.00 C ATOM 241 C ALA A 17 2.544 -4.245 -16.032 1.00 0.00 C ATOM 242 O ALA A 17 3.461 -4.188 -15.212 1.00 0.00 O ATOM 243 CB ALA A 17 2.313 -4.956 -18.427 1.00 0.00 C ATOM 0 H ALA A 17 1.033 -6.938 -17.428 1.00 0.00 H new ATOM 0 HA ALA A 17 3.366 -6.016 -16.883 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.142 -4.289 -18.663 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.330 -5.811 -19.103 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.372 -4.419 -18.544 1.00 0.00 H new ATOM 249 N GLU A 18 1.631 -3.283 -16.143 1.00 0.00 N ATOM 250 CA GLU A 18 1.680 -2.097 -15.280 1.00 0.00 C ATOM 251 C GLU A 18 0.433 -1.973 -14.402 1.00 0.00 C ATOM 252 O GLU A 18 -0.423 -1.119 -14.635 1.00 0.00 O ATOM 253 CB GLU A 18 1.846 -0.837 -16.133 1.00 0.00 C ATOM 254 CG GLU A 18 2.991 -0.930 -17.131 1.00 0.00 C ATOM 255 CD GLU A 18 3.258 0.383 -17.841 1.00 0.00 C ATOM 256 OE1 GLU A 18 2.303 0.959 -18.404 1.00 0.00 O ATOM 257 OE2 GLU A 18 4.422 0.834 -17.835 1.00 0.00 O ATOM 0 H GLU A 18 0.859 -3.296 -16.809 1.00 0.00 H new ATOM 0 HA GLU A 18 2.538 -2.208 -14.617 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.918 -0.647 -16.672 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.014 0.017 -15.477 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.895 -1.248 -16.612 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.762 -1.698 -17.870 1.00 0.00 H new ATOM 264 N ASP A 19 0.330 -2.855 -13.404 1.00 0.00 N ATOM 265 CA ASP A 19 -0.819 -2.878 -12.494 1.00 0.00 C ATOM 266 C ASP A 19 -0.533 -2.197 -11.153 1.00 0.00 C ATOM 267 O ASP A 19 0.527 -1.606 -10.955 1.00 0.00 O ATOM 268 CB ASP A 19 -1.207 -4.326 -12.235 1.00 0.00 C ATOM 269 CG ASP A 19 -1.787 -4.985 -13.460 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.539 -4.481 -14.576 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.488 -6.007 -13.305 1.00 0.00 O ATOM 0 H ASP A 19 1.033 -3.567 -13.205 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.626 -2.324 -12.974 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.330 -4.883 -11.905 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.934 -4.367 -11.424 1.00 0.00 H new ATOM 276 N ARG A 20 -1.497 -2.308 -10.230 1.00 0.00 N ATOM 277 CA ARG A 20 -1.368 -1.735 -8.892 1.00 0.00 C ATOM 278 C ARG A 20 -1.957 -2.689 -7.849 1.00 0.00 C ATOM 279 O ARG A 20 -3.167 -2.910 -7.810 1.00 0.00 O ATOM 280 CB ARG A 20 -2.070 -0.382 -8.811 1.00 0.00 C ATOM 281 CG ARG A 20 -1.332 0.640 -7.968 1.00 0.00 C ATOM 282 CD ARG A 20 -0.635 1.679 -8.833 1.00 0.00 C ATOM 283 NE ARG A 20 0.097 2.656 -8.028 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.048 3.977 -8.134 1.00 0.00 C ATOM 285 NH1 ARG A 20 -0.889 4.500 -9.021 1.00 0.00 N ATOM 286 NH2 ARG A 20 0.656 4.782 -7.350 1.00 0.00 N ATOM 0 H ARG A 20 -2.379 -2.794 -10.391 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.308 -1.589 -8.686 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.194 0.014 -9.819 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.069 -0.525 -8.400 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.034 1.135 -7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.597 0.134 -7.342 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.054 1.181 -9.515 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.373 2.195 -9.447 1.00 0.00 H new ATOM 0 HE ARG A 20 0.762 2.304 -7.340 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.433 3.889 -9.630 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.991 5.512 -9.092 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.306 4.390 -6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.548 5.793 -7.428 1.00 0.00 H new ATOM 300 N VAL A 21 -1.096 -3.241 -6.999 1.00 0.00 N ATOM 301 CA VAL A 21 -1.516 -4.163 -5.942 1.00 0.00 C ATOM 302 C VAL A 21 -1.758 -3.445 -4.613 1.00 0.00 C ATOM 303 O VAL A 21 -1.317 -2.312 -4.417 1.00 0.00 O ATOM 304 CB VAL A 21 -0.451 -5.253 -5.713 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.318 -6.152 -6.934 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.888 -4.620 -5.365 1.00 0.00 C ATOM 0 H VAL A 21 -0.092 -3.065 -7.021 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.451 -4.610 -6.279 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.772 -5.871 -4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.440 -6.912 -6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.274 -6.635 -7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.025 -5.553 -7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.630 -5.402 -5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.210 -3.976 -6.183 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.785 -4.028 -4.456 1.00 0.00 H new ATOM 316 N THR A 22 -2.411 -4.140 -3.678 1.00 0.00 N ATOM 317 CA THR A 22 -2.650 -3.600 -2.345 1.00 0.00 C ATOM 318 C THR A 22 -1.936 -4.483 -1.330 1.00 0.00 C ATOM 319 O THR A 22 -2.286 -5.650 -1.166 1.00 0.00 O ATOM 320 CB THR A 22 -4.140 -3.541 -2.022 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.830 -2.737 -2.964 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.418 -2.983 -0.641 1.00 0.00 C ATOM 0 H THR A 22 -2.782 -5.079 -3.824 1.00 0.00 H new ATOM 0 HA THR A 22 -2.266 -2.581 -2.305 1.00 0.00 H new ATOM 0 HB THR A 22 -4.492 -4.572 -2.063 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.784 -2.715 -2.739 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.494 -2.964 -0.466 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.939 -3.612 0.109 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.022 -1.970 -0.571 1.00 0.00 H new ATOM 330 N ILE A 23 -0.913 -3.944 -0.680 1.00 0.00 N ATOM 331 CA ILE A 23 -0.144 -4.731 0.275 1.00 0.00 C ATOM 332 C ILE A 23 0.045 -4.031 1.621 1.00 0.00 C ATOM 333 O ILE A 23 0.132 -2.806 1.699 1.00 0.00 O ATOM 334 CB ILE A 23 1.250 -5.057 -0.295 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.978 -3.772 -0.673 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.141 -5.982 -1.499 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.480 -3.918 -0.664 1.00 0.00 C ATOM 0 H ILE A 23 -0.600 -2.980 -0.793 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.722 -5.640 0.443 1.00 0.00 H new ATOM 0 HB ILE A 23 1.824 -5.572 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.655 -3.457 -1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.692 -2.982 0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.138 -6.198 -1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.658 -6.912 -1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.549 -5.499 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.939 -2.969 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.812 -4.204 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.775 -4.687 -1.378 1.00 0.00 H new ATOM 349 N ASP A 24 0.153 -4.844 2.668 1.00 0.00 N ATOM 350 CA ASP A 24 0.386 -4.362 4.027 1.00 0.00 C ATOM 351 C ASP A 24 1.704 -4.957 4.522 1.00 0.00 C ATOM 352 O ASP A 24 1.884 -6.174 4.470 1.00 0.00 O ATOM 353 CB ASP A 24 -0.756 -4.789 4.956 1.00 0.00 C ATOM 354 CG ASP A 24 -0.937 -6.292 5.000 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.545 -6.844 4.059 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.470 -6.919 5.975 1.00 0.00 O ATOM 0 H ASP A 24 0.081 -5.859 2.598 1.00 0.00 H new ATOM 0 HA ASP A 24 0.432 -3.273 4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.558 -4.421 5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.684 -4.324 4.623 1.00 0.00 H new ATOM 361 N PHE A 25 2.638 -4.122 4.972 1.00 0.00 N ATOM 362 CA PHE A 25 3.930 -4.640 5.424 1.00 0.00 C ATOM 363 C PHE A 25 4.473 -3.907 6.642 1.00 0.00 C ATOM 364 O PHE A 25 3.963 -2.865 7.041 1.00 0.00 O ATOM 365 CB PHE A 25 4.949 -4.568 4.286 1.00 0.00 C ATOM 366 CG PHE A 25 5.379 -3.173 3.925 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.218 -2.452 4.760 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.928 -2.577 2.759 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.597 -1.161 4.436 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.301 -1.289 2.437 1.00 0.00 C ATOM 371 CZ PHE A 25 6.134 -0.581 3.274 1.00 0.00 C ATOM 0 H PHE A 25 2.532 -3.109 5.034 1.00 0.00 H new ATOM 0 HA PHE A 25 3.765 -5.676 5.720 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.830 -5.146 4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.523 -5.044 3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.580 -2.902 5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.277 -3.127 2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.254 -0.609 5.092 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.939 -0.835 1.526 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.424 0.428 3.021 1.00 0.00 H new ATOM 381 N THR A 26 5.521 -4.481 7.227 1.00 0.00 N ATOM 382 CA THR A 26 6.161 -3.911 8.404 1.00 0.00 C ATOM 383 C THR A 26 7.637 -4.297 8.453 1.00 0.00 C ATOM 384 O THR A 26 7.974 -5.472 8.591 1.00 0.00 O ATOM 385 CB THR A 26 5.460 -4.402 9.671 1.00 0.00 C ATOM 386 OG1 THR A 26 4.070 -4.125 9.617 1.00 0.00 O ATOM 387 CG2 THR A 26 6.006 -3.779 10.936 1.00 0.00 C ATOM 0 H THR A 26 5.946 -5.348 6.900 1.00 0.00 H new ATOM 0 HA THR A 26 6.084 -2.825 8.345 1.00 0.00 H new ATOM 0 HB THR A 26 5.646 -5.476 9.706 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.640 -4.448 10.436 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.465 -4.171 11.797 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.065 -4.020 11.033 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.883 -2.697 10.891 1.00 0.00 H new ATOM 395 N GLY A 27 8.519 -3.306 8.335 1.00 0.00 N ATOM 396 CA GLY A 27 9.944 -3.586 8.368 1.00 0.00 C ATOM 397 C GLY A 27 10.784 -2.410 8.820 1.00 0.00 C ATOM 398 O GLY A 27 10.284 -1.302 8.996 1.00 0.00 O ATOM 0 H GLY A 27 8.274 -2.323 8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.125 -4.428 9.036 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.268 -3.892 7.374 1.00 0.00 H new ATOM 402 N SER A 28 12.071 -2.670 9.014 1.00 0.00 N ATOM 403 CA SER A 28 13.016 -1.651 9.455 1.00 0.00 C ATOM 404 C SER A 28 13.998 -1.287 8.347 1.00 0.00 C ATOM 405 O SER A 28 13.950 -1.844 7.251 1.00 0.00 O ATOM 406 CB SER A 28 13.787 -2.159 10.676 1.00 0.00 C ATOM 407 OG SER A 28 13.158 -3.297 11.241 1.00 0.00 O ATOM 0 H SER A 28 12.488 -3.590 8.871 1.00 0.00 H new ATOM 0 HA SER A 28 12.451 -0.756 9.717 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.807 -2.410 10.387 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.853 -1.368 11.423 1.00 0.00 H new ATOM 0 HG SER A 28 13.671 -3.602 12.018 1.00 0.00 H new ATOM 413 N VAL A 29 14.902 -0.363 8.654 1.00 0.00 N ATOM 414 CA VAL A 29 15.918 0.065 7.707 1.00 0.00 C ATOM 415 C VAL A 29 17.308 -0.368 8.187 1.00 0.00 C ATOM 416 O VAL A 29 17.809 -1.411 7.766 1.00 0.00 O ATOM 417 CB VAL A 29 15.849 1.595 7.439 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.730 2.402 8.728 1.00 0.00 C ATOM 419 CG2 VAL A 29 17.037 2.059 6.611 1.00 0.00 C ATOM 0 H VAL A 29 14.949 0.105 9.559 1.00 0.00 H new ATOM 0 HA VAL A 29 15.721 -0.425 6.753 1.00 0.00 H new ATOM 0 HB VAL A 29 14.941 1.777 6.865 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.685 3.465 8.489 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.823 2.110 9.257 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.597 2.208 9.360 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.963 3.133 6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.961 1.840 7.146 1.00 0.00 H new ATOM 0 HG23 VAL A 29 17.040 1.537 5.654 1.00 0.00 H new ATOM 429 N ASP A 30 17.917 0.401 9.083 1.00 0.00 N ATOM 430 CA ASP A 30 19.220 0.048 9.623 1.00 0.00 C ATOM 431 C ASP A 30 19.038 -0.676 10.953 1.00 0.00 C ATOM 432 O ASP A 30 19.782 -0.451 11.907 1.00 0.00 O ATOM 433 CB ASP A 30 20.087 1.298 9.799 1.00 0.00 C ATOM 434 CG ASP A 30 21.278 1.307 8.860 1.00 0.00 C ATOM 435 OD1 ASP A 30 21.072 1.498 7.642 1.00 0.00 O ATOM 436 OD2 ASP A 30 22.416 1.120 9.340 1.00 0.00 O ATOM 0 H ASP A 30 17.528 1.270 9.449 1.00 0.00 H new ATOM 0 HA ASP A 30 19.730 -0.615 8.924 1.00 0.00 H new ATOM 0 HB2 ASP A 30 19.481 2.186 9.622 1.00 0.00 H new ATOM 0 HB3 ASP A 30 20.439 1.352 10.829 1.00 0.00 H new ATOM 441 N GLY A 31 18.024 -1.538 11.006 1.00 0.00 N ATOM 442 CA GLY A 31 17.730 -2.276 12.218 1.00 0.00 C ATOM 443 C GLY A 31 16.631 -1.627 13.046 1.00 0.00 C ATOM 444 O GLY A 31 16.212 -2.176 14.065 1.00 0.00 O ATOM 0 H GLY A 31 17.399 -1.737 10.225 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.432 -3.291 11.957 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.635 -2.354 12.820 1.00 0.00 H new ATOM 448 N GLU A 32 16.159 -0.458 12.608 1.00 0.00 N ATOM 449 CA GLU A 32 15.098 0.257 13.319 1.00 0.00 C ATOM 450 C GLU A 32 14.039 0.781 12.348 1.00 0.00 C ATOM 451 O GLU A 32 14.326 1.622 11.496 1.00 0.00 O ATOM 452 CB GLU A 32 15.688 1.417 14.124 1.00 0.00 C ATOM 453 CG GLU A 32 16.778 0.994 15.095 1.00 0.00 C ATOM 454 CD GLU A 32 16.262 0.825 16.511 1.00 0.00 C ATOM 455 OE1 GLU A 32 15.706 -0.251 16.816 1.00 0.00 O ATOM 456 OE2 GLU A 32 16.414 1.768 17.314 1.00 0.00 O ATOM 0 H GLU A 32 16.494 0.012 11.767 1.00 0.00 H new ATOM 0 HA GLU A 32 14.619 -0.445 14.001 1.00 0.00 H new ATOM 0 HB2 GLU A 32 16.095 2.156 13.434 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.888 1.906 14.680 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.216 0.055 14.757 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.574 1.738 15.089 1.00 0.00 H new ATOM 463 N GLU A 33 12.816 0.272 12.481 1.00 0.00 N ATOM 464 CA GLU A 33 11.713 0.675 11.622 1.00 0.00 C ATOM 465 C GLU A 33 11.463 2.165 11.724 1.00 0.00 C ATOM 466 O GLU A 33 11.167 2.692 12.798 1.00 0.00 O ATOM 467 CB GLU A 33 10.443 -0.103 11.970 1.00 0.00 C ATOM 468 CG GLU A 33 10.045 -0.009 13.433 1.00 0.00 C ATOM 469 CD GLU A 33 8.938 -0.978 13.795 1.00 0.00 C ATOM 470 OE1 GLU A 33 8.133 -1.321 12.903 1.00 0.00 O ATOM 471 OE2 GLU A 33 8.875 -1.395 14.971 1.00 0.00 O ATOM 0 H GLU A 33 12.566 -0.425 13.182 1.00 0.00 H new ATOM 0 HA GLU A 33 11.989 0.444 10.593 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.622 0.267 11.356 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.588 -1.151 11.710 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.916 -0.208 14.057 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.720 1.008 13.654 1.00 0.00 H new ATOM 478 N PHE A 34 11.614 2.838 10.598 1.00 0.00 N ATOM 479 CA PHE A 34 11.444 4.288 10.504 1.00 0.00 C ATOM 480 C PHE A 34 9.979 4.688 10.321 1.00 0.00 C ATOM 481 O PHE A 34 9.093 4.180 11.008 1.00 0.00 O ATOM 482 CB PHE A 34 12.328 4.819 9.354 1.00 0.00 C ATOM 483 CG PHE A 34 12.142 4.094 8.042 1.00 0.00 C ATOM 484 CD1 PHE A 34 12.683 2.831 7.857 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.432 4.670 6.994 1.00 0.00 C ATOM 486 CE1 PHE A 34 12.521 2.158 6.668 1.00 0.00 C ATOM 487 CE2 PHE A 34 11.270 3.994 5.796 1.00 0.00 C ATOM 488 CZ PHE A 34 11.817 2.736 5.638 1.00 0.00 C ATOM 0 H PHE A 34 11.860 2.396 9.712 1.00 0.00 H new ATOM 0 HA PHE A 34 11.760 4.741 11.444 1.00 0.00 H new ATOM 0 HB2 PHE A 34 12.113 5.877 9.205 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.374 4.745 9.651 1.00 0.00 H new ATOM 0 HD1 PHE A 34 13.240 2.368 8.658 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.003 5.654 7.115 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.948 1.174 6.543 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.717 4.450 4.988 1.00 0.00 H new ATOM 0 HZ PHE A 34 11.692 2.206 4.705 1.00 0.00 H new ATOM 498 N GLU A 35 9.739 5.588 9.384 1.00 0.00 N ATOM 499 CA GLU A 35 8.394 6.067 9.072 1.00 0.00 C ATOM 500 C GLU A 35 7.565 4.985 8.386 1.00 0.00 C ATOM 501 O GLU A 35 6.521 4.572 8.889 1.00 0.00 O ATOM 502 CB GLU A 35 8.471 7.299 8.167 1.00 0.00 C ATOM 503 CG GLU A 35 8.959 8.551 8.875 1.00 0.00 C ATOM 504 CD GLU A 35 7.979 9.049 9.918 1.00 0.00 C ATOM 505 OE1 GLU A 35 7.868 8.408 10.984 1.00 0.00 O ATOM 506 OE2 GLU A 35 7.321 10.082 9.669 1.00 0.00 O ATOM 0 H GLU A 35 10.470 6.012 8.813 1.00 0.00 H new ATOM 0 HA GLU A 35 7.909 6.330 10.012 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.136 7.083 7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.484 7.492 7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.917 8.345 9.351 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.131 9.336 8.139 1.00 0.00 H new ATOM 513 N GLY A 36 8.040 4.542 7.222 1.00 0.00 N ATOM 514 CA GLY A 36 7.335 3.523 6.466 1.00 0.00 C ATOM 515 C GLY A 36 7.583 2.121 6.979 1.00 0.00 C ATOM 516 O GLY A 36 7.249 1.147 6.309 1.00 0.00 O ATOM 0 H GLY A 36 8.903 4.873 6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.265 3.731 6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.639 3.580 5.421 1.00 0.00 H new ATOM 520 N GLY A 37 8.161 2.009 8.171 1.00 0.00 N ATOM 521 CA GLY A 37 8.427 0.704 8.736 1.00 0.00 C ATOM 522 C GLY A 37 7.167 -0.123 8.924 1.00 0.00 C ATOM 523 O GLY A 37 7.243 -1.297 9.282 1.00 0.00 O ATOM 0 H GLY A 37 8.448 2.797 8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.116 0.165 8.086 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.924 0.824 9.698 1.00 0.00 H new ATOM 527 N LYS A 38 6.005 0.481 8.677 1.00 0.00 N ATOM 528 CA LYS A 38 4.737 -0.220 8.814 1.00 0.00 C ATOM 529 C LYS A 38 3.694 0.351 7.857 1.00 0.00 C ATOM 530 O LYS A 38 3.365 1.537 7.909 1.00 0.00 O ATOM 531 CB LYS A 38 4.227 -0.136 10.254 1.00 0.00 C ATOM 532 CG LYS A 38 4.126 1.284 10.787 1.00 0.00 C ATOM 533 CD LYS A 38 4.799 1.418 12.144 1.00 0.00 C ATOM 534 CE LYS A 38 6.312 1.317 12.027 1.00 0.00 C ATOM 535 NZ LYS A 38 6.992 2.515 12.590 1.00 0.00 N ATOM 0 H LYS A 38 5.920 1.454 8.381 1.00 0.00 H new ATOM 0 HA LYS A 38 4.904 -1.267 8.561 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.245 -0.606 10.310 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.892 -0.710 10.899 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.589 1.973 10.080 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.077 1.569 10.870 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.531 2.375 12.592 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.432 0.639 12.812 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.658 0.424 12.548 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.588 1.201 10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.823 2.747 12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.333 3.320 12.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.295 2.316 13.565 1.00 0.00 H new ATOM 549 N ALA A 39 3.177 -0.508 6.988 1.00 0.00 N ATOM 550 CA ALA A 39 2.167 -0.115 6.016 1.00 0.00 C ATOM 551 C ALA A 39 1.035 -1.132 5.998 1.00 0.00 C ATOM 552 O ALA A 39 1.257 -2.326 6.196 1.00 0.00 O ATOM 553 CB ALA A 39 2.780 0.018 4.626 1.00 0.00 C ATOM 0 H ALA A 39 3.444 -1.491 6.937 1.00 0.00 H new ATOM 0 HA ALA A 39 1.766 0.856 6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.008 0.312 3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.564 0.775 4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.207 -0.938 4.323 1.00 0.00 H new ATOM 559 N SER A 40 -0.182 -0.656 5.770 1.00 0.00 N ATOM 560 CA SER A 40 -1.344 -1.533 5.737 1.00 0.00 C ATOM 561 C SER A 40 -1.965 -1.568 4.349 1.00 0.00 C ATOM 562 O SER A 40 -2.006 -2.610 3.700 1.00 0.00 O ATOM 563 CB SER A 40 -2.386 -1.074 6.759 1.00 0.00 C ATOM 564 OG SER A 40 -2.766 0.272 6.532 1.00 0.00 O ATOM 0 H SER A 40 -0.389 0.329 5.606 1.00 0.00 H new ATOM 0 HA SER A 40 -1.011 -2.539 5.991 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.264 -1.717 6.702 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.981 -1.176 7.766 1.00 0.00 H new ATOM 0 HG SER A 40 -3.434 0.540 7.197 1.00 0.00 H new ATOM 570 N ASP A 41 -2.397 -0.414 3.872 1.00 0.00 N ATOM 571 CA ASP A 41 -2.956 -0.285 2.543 1.00 0.00 C ATOM 572 C ASP A 41 -1.910 0.340 1.638 1.00 0.00 C ATOM 573 O ASP A 41 -2.045 1.495 1.233 1.00 0.00 O ATOM 574 CB ASP A 41 -4.222 0.574 2.567 1.00 0.00 C ATOM 575 CG ASP A 41 -3.998 1.911 3.248 1.00 0.00 C ATOM 576 OD1 ASP A 41 -3.624 1.916 4.439 1.00 0.00 O ATOM 577 OD2 ASP A 41 -4.198 2.952 2.588 1.00 0.00 O ATOM 0 H ASP A 41 -2.369 0.460 4.398 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.232 -1.270 2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.564 0.742 1.546 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.015 0.034 3.084 1.00 0.00 H new ATOM 582 N PHE A 42 -0.872 -0.408 1.322 1.00 0.00 N ATOM 583 CA PHE A 42 0.182 0.111 0.461 1.00 0.00 C ATOM 584 C PHE A 42 -0.125 -0.218 -0.990 1.00 0.00 C ATOM 585 O PHE A 42 -0.043 -1.372 -1.409 1.00 0.00 O ATOM 586 CB PHE A 42 1.547 -0.450 0.868 1.00 0.00 C ATOM 587 CG PHE A 42 2.709 0.299 0.273 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.709 1.685 0.240 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.798 -0.380 -0.257 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.770 2.381 -0.307 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.862 0.313 -0.806 1.00 0.00 C ATOM 592 CZ PHE A 42 4.848 1.694 -0.831 1.00 0.00 C ATOM 0 H PHE A 42 -0.732 -1.366 1.642 1.00 0.00 H new ATOM 0 HA PHE A 42 0.221 1.194 0.574 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.630 -0.428 1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.606 -1.495 0.565 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.869 2.228 0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.815 -1.460 -0.240 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.757 3.461 -0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.704 -0.226 -1.215 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.678 2.236 -1.259 1.00 0.00 H new ATOM 602 N VAL A 43 -0.491 0.806 -1.753 1.00 0.00 N ATOM 603 CA VAL A 43 -0.826 0.635 -3.154 1.00 0.00 C ATOM 604 C VAL A 43 0.423 0.663 -4.024 1.00 0.00 C ATOM 605 O VAL A 43 0.965 1.728 -4.322 1.00 0.00 O ATOM 606 CB VAL A 43 -1.793 1.736 -3.616 1.00 0.00 C ATOM 607 CG1 VAL A 43 -2.258 1.482 -5.039 1.00 0.00 C ATOM 608 CG2 VAL A 43 -2.978 1.828 -2.666 1.00 0.00 C ATOM 0 H VAL A 43 -0.562 1.767 -1.418 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.307 -0.337 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.265 2.690 -3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.942 2.274 -5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.396 1.468 -5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.770 0.521 -5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.656 2.612 -3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.506 0.874 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.623 2.064 -1.663 1.00 0.00 H new ATOM 618 N LEU A 44 0.880 -0.518 -4.413 1.00 0.00 N ATOM 619 CA LEU A 44 2.073 -0.643 -5.234 1.00 0.00 C ATOM 620 C LEU A 44 1.732 -0.730 -6.713 1.00 0.00 C ATOM 621 O LEU A 44 0.822 -1.454 -7.107 1.00 0.00 O ATOM 622 CB LEU A 44 2.868 -1.875 -4.812 1.00 0.00 C ATOM 623 CG LEU A 44 4.298 -1.589 -4.364 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.057 -2.885 -4.174 1.00 0.00 C ATOM 625 CD2 LEU A 44 5.008 -0.694 -5.370 1.00 0.00 C ATOM 0 H LEU A 44 0.440 -1.406 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 44 2.676 0.253 -5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.339 -2.370 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.897 -2.576 -5.647 1.00 0.00 H new ATOM 0 HG LEU A 44 4.263 -1.064 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.076 -2.666 -3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.560 -3.490 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.082 -3.433 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.026 -0.502 -5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.035 -1.188 -6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.471 0.251 -5.459 1.00 0.00 H new ATOM 637 N ALA A 45 2.490 -0.002 -7.525 1.00 0.00 N ATOM 638 CA ALA A 45 2.292 -0.002 -8.969 1.00 0.00 C ATOM 639 C ALA A 45 3.280 -0.954 -9.642 1.00 0.00 C ATOM 640 O ALA A 45 4.463 -0.641 -9.770 1.00 0.00 O ATOM 641 CB ALA A 45 2.464 1.406 -9.515 1.00 0.00 C ATOM 0 H ALA A 45 3.250 0.598 -7.206 1.00 0.00 H new ATOM 0 HA ALA A 45 1.280 -0.345 -9.185 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.315 1.398 -10.595 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.732 2.068 -9.052 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.469 1.763 -9.290 1.00 0.00 H new ATOM 647 N MET A 46 2.794 -2.118 -10.060 1.00 0.00 N ATOM 648 CA MET A 46 3.639 -3.116 -10.702 1.00 0.00 C ATOM 649 C MET A 46 4.190 -2.627 -12.037 1.00 0.00 C ATOM 650 O MET A 46 3.557 -2.795 -13.078 1.00 0.00 O ATOM 651 CB MET A 46 2.856 -4.410 -10.907 1.00 0.00 C ATOM 652 CG MET A 46 3.425 -5.576 -10.124 1.00 0.00 C ATOM 653 SD MET A 46 4.262 -6.779 -11.177 1.00 0.00 S ATOM 654 CE MET A 46 5.771 -7.045 -10.251 1.00 0.00 C ATOM 0 H MET A 46 1.816 -2.393 -9.965 1.00 0.00 H new ATOM 0 HA MET A 46 4.487 -3.299 -10.042 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.819 -4.252 -10.611 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.850 -4.660 -11.968 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.127 -5.200 -9.379 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.620 -6.072 -9.582 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.148 -8.048 -10.450 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.518 -6.311 -10.553 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.568 -6.938 -9.185 1.00 0.00 H new ATOM 664 N GLY A 47 5.382 -2.041 -11.996 1.00 0.00 N ATOM 665 CA GLY A 47 6.017 -1.551 -13.206 1.00 0.00 C ATOM 666 C GLY A 47 5.767 -0.074 -13.443 1.00 0.00 C ATOM 667 O GLY A 47 5.800 0.392 -14.582 1.00 0.00 O ATOM 0 H GLY A 47 5.922 -1.896 -11.143 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.091 -1.728 -13.145 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.648 -2.119 -14.060 1.00 0.00 H new ATOM 671 N GLN A 48 5.520 0.662 -12.366 1.00 0.00 N ATOM 672 CA GLN A 48 5.267 2.095 -12.460 1.00 0.00 C ATOM 673 C GLN A 48 6.125 2.854 -11.454 1.00 0.00 C ATOM 674 O GLN A 48 6.906 3.732 -11.824 1.00 0.00 O ATOM 675 CB GLN A 48 3.786 2.387 -12.217 1.00 0.00 C ATOM 676 CG GLN A 48 3.102 3.082 -13.381 1.00 0.00 C ATOM 677 CD GLN A 48 1.964 3.977 -12.933 1.00 0.00 C ATOM 678 OE1 GLN A 48 1.359 3.752 -11.885 1.00 0.00 O ATOM 679 NE2 GLN A 48 1.665 4.999 -13.726 1.00 0.00 N ATOM 0 H GLN A 48 5.489 0.290 -11.417 1.00 0.00 H new ATOM 0 HA GLN A 48 5.531 2.429 -13.463 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.269 1.450 -12.010 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.689 3.008 -11.326 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.835 3.677 -13.927 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.720 2.333 -14.074 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.193 5.149 -14.586 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.908 5.635 -13.475 1.00 0.00 H new ATOM 688 N GLY A 49 5.984 2.499 -10.182 1.00 0.00 N ATOM 689 CA GLY A 49 6.760 3.143 -9.140 1.00 0.00 C ATOM 690 C GLY A 49 8.092 2.458 -8.933 1.00 0.00 C ATOM 691 O GLY A 49 8.418 2.036 -7.823 1.00 0.00 O ATOM 0 H GLY A 49 5.345 1.775 -9.854 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.925 4.188 -9.402 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.196 3.133 -8.207 1.00 0.00 H new ATOM 695 N ARG A 50 8.857 2.343 -10.015 1.00 0.00 N ATOM 696 CA ARG A 50 10.167 1.704 -9.980 1.00 0.00 C ATOM 697 C ARG A 50 10.157 0.439 -9.125 1.00 0.00 C ATOM 698 O ARG A 50 10.965 0.293 -8.207 1.00 0.00 O ATOM 699 CB ARG A 50 11.220 2.681 -9.460 1.00 0.00 C ATOM 700 CG ARG A 50 12.479 2.718 -10.309 1.00 0.00 C ATOM 701 CD ARG A 50 13.714 2.981 -9.464 1.00 0.00 C ATOM 702 NE ARG A 50 14.947 2.822 -10.231 1.00 0.00 N ATOM 703 CZ ARG A 50 15.520 1.648 -10.478 1.00 0.00 C ATOM 704 NH1 ARG A 50 14.960 0.524 -10.044 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.653 1.594 -11.164 1.00 0.00 N ATOM 0 H ARG A 50 8.587 2.689 -10.936 1.00 0.00 H new ATOM 0 HA ARG A 50 10.418 1.414 -11.000 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.789 3.681 -9.419 1.00 0.00 H new ATOM 0 HB3 ARG A 50 11.487 2.407 -8.439 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.592 1.770 -10.835 1.00 0.00 H new ATOM 0 HG3 ARG A 50 12.384 3.494 -11.068 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.667 3.992 -9.059 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.725 2.297 -8.615 1.00 0.00 H new ATOM 0 HE ARG A 50 15.395 3.661 -10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.086 0.559 -9.519 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.404 -0.374 -10.236 1.00 0.00 H new ATOM 0 HH21 ARG A 50 17.086 2.453 -11.503 1.00 0.00 H new ATOM 0 HH22 ARG A 50 17.092 0.693 -11.353 1.00 0.00 H new ATOM 719 N MET A 51 9.247 -0.479 -9.438 1.00 0.00 N ATOM 720 CA MET A 51 9.150 -1.735 -8.702 1.00 0.00 C ATOM 721 C MET A 51 10.523 -2.403 -8.634 1.00 0.00 C ATOM 722 O MET A 51 10.932 -3.111 -9.554 1.00 0.00 O ATOM 723 CB MET A 51 8.132 -2.661 -9.368 1.00 0.00 C ATOM 724 CG MET A 51 7.910 -3.963 -8.613 1.00 0.00 C ATOM 725 SD MET A 51 6.194 -4.216 -8.118 1.00 0.00 S ATOM 726 CE MET A 51 5.747 -2.574 -7.563 1.00 0.00 C ATOM 0 H MET A 51 8.569 -0.377 -10.193 1.00 0.00 H new ATOM 0 HA MET A 51 8.811 -1.529 -7.687 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.181 -2.136 -9.459 1.00 0.00 H new ATOM 0 HB3 MET A 51 8.468 -2.890 -10.379 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.227 -4.797 -9.239 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.542 -3.973 -7.725 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.823 -2.624 -6.987 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.544 -2.172 -6.937 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.602 -1.925 -8.427 1.00 0.00 H new ATOM 736 N ILE A 52 11.234 -2.139 -7.545 1.00 0.00 N ATOM 737 CA ILE A 52 12.582 -2.674 -7.337 1.00 0.00 C ATOM 738 C ILE A 52 12.576 -4.187 -7.127 1.00 0.00 C ATOM 739 O ILE A 52 11.526 -4.785 -6.892 1.00 0.00 O ATOM 740 CB ILE A 52 13.285 -2.005 -6.129 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.269 -1.476 -5.111 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.188 -0.877 -6.606 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.886 -1.082 -3.788 1.00 0.00 C ATOM 0 H ILE A 52 10.898 -1.551 -6.782 1.00 0.00 H new ATOM 0 HA ILE A 52 13.135 -2.446 -8.248 1.00 0.00 H new ATOM 0 HB ILE A 52 13.891 -2.763 -5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.758 -0.612 -5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.511 -2.240 -4.936 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.676 -0.415 -5.748 1.00 0.00 H new ATOM 0 HG22 ILE A 52 14.944 -1.277 -7.282 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.591 -0.130 -7.130 1.00 0.00 H new ATOM 0 HD11 ILE A 52 12.108 -0.717 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.373 -1.949 -3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.623 -0.296 -3.950 1.00 0.00 H new ATOM 755 N PRO A 53 13.765 -4.827 -7.203 1.00 0.00 N ATOM 756 CA PRO A 53 13.904 -6.274 -7.018 1.00 0.00 C ATOM 757 C PRO A 53 13.196 -6.756 -5.760 1.00 0.00 C ATOM 758 O PRO A 53 12.818 -7.920 -5.656 1.00 0.00 O ATOM 759 CB PRO A 53 15.421 -6.495 -6.891 1.00 0.00 C ATOM 760 CG PRO A 53 16.031 -5.133 -6.816 1.00 0.00 C ATOM 761 CD PRO A 53 15.063 -4.198 -7.477 1.00 0.00 C ATOM 0 HA PRO A 53 13.455 -6.829 -7.842 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.657 -7.078 -6.001 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.808 -7.049 -7.746 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.206 -4.842 -5.780 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.997 -5.112 -7.320 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.122 -3.193 -7.059 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.252 -4.110 -8.547 1.00 0.00 H new ATOM 769 N GLY A 54 13.019 -5.847 -4.807 1.00 0.00 N ATOM 770 CA GLY A 54 12.354 -6.193 -3.571 1.00 0.00 C ATOM 771 C GLY A 54 10.857 -6.325 -3.738 1.00 0.00 C ATOM 772 O GLY A 54 10.282 -7.379 -3.453 1.00 0.00 O ATOM 0 H GLY A 54 13.326 -4.876 -4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.759 -7.132 -3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.567 -5.431 -2.821 1.00 0.00 H new ATOM 776 N PHE A 55 10.215 -5.253 -4.192 1.00 0.00 N ATOM 777 CA PHE A 55 8.776 -5.268 -4.378 1.00 0.00 C ATOM 778 C PHE A 55 8.382 -6.167 -5.543 1.00 0.00 C ATOM 779 O PHE A 55 7.413 -6.921 -5.453 1.00 0.00 O ATOM 780 CB PHE A 55 8.235 -3.850 -4.602 1.00 0.00 C ATOM 781 CG PHE A 55 8.277 -2.969 -3.380 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.569 -3.309 -2.237 1.00 0.00 C ATOM 783 CD2 PHE A 55 9.016 -1.795 -3.378 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.599 -2.502 -1.120 1.00 0.00 C ATOM 785 CE2 PHE A 55 9.049 -0.983 -2.261 1.00 0.00 C ATOM 786 CZ PHE A 55 8.339 -1.336 -1.132 1.00 0.00 C ATOM 0 H PHE A 55 10.668 -4.372 -4.435 1.00 0.00 H new ATOM 0 HA PHE A 55 8.333 -5.669 -3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.810 -3.376 -5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.205 -3.918 -4.951 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.986 -4.218 -2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.572 -1.513 -4.260 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.044 -2.781 -0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.630 -0.073 -2.271 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.362 -0.701 -0.259 1.00 0.00 H new ATOM 796 N GLU A 56 9.134 -6.092 -6.635 1.00 0.00 N ATOM 797 CA GLU A 56 8.846 -6.913 -7.804 1.00 0.00 C ATOM 798 C GLU A 56 8.914 -8.400 -7.456 1.00 0.00 C ATOM 799 O GLU A 56 8.408 -9.240 -8.196 1.00 0.00 O ATOM 800 CB GLU A 56 9.810 -6.582 -8.951 1.00 0.00 C ATOM 801 CG GLU A 56 11.202 -7.172 -8.796 1.00 0.00 C ATOM 802 CD GLU A 56 11.873 -7.432 -10.131 1.00 0.00 C ATOM 803 OE1 GLU A 56 11.174 -7.858 -11.073 1.00 0.00 O ATOM 804 OE2 GLU A 56 13.098 -7.208 -10.233 1.00 0.00 O ATOM 0 H GLU A 56 9.941 -5.476 -6.735 1.00 0.00 H new ATOM 0 HA GLU A 56 7.832 -6.687 -8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.379 -6.941 -9.886 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.896 -5.499 -9.035 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.819 -6.491 -8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.138 -8.106 -8.237 1.00 0.00 H new ATOM 811 N ASP A 57 9.546 -8.718 -6.325 1.00 0.00 N ATOM 812 CA ASP A 57 9.677 -10.100 -5.885 1.00 0.00 C ATOM 813 C ASP A 57 8.402 -10.594 -5.207 1.00 0.00 C ATOM 814 O ASP A 57 7.635 -11.360 -5.792 1.00 0.00 O ATOM 815 CB ASP A 57 10.862 -10.249 -4.926 1.00 0.00 C ATOM 816 CG ASP A 57 11.840 -11.316 -5.375 1.00 0.00 C ATOM 817 OD1 ASP A 57 12.278 -11.268 -6.544 1.00 0.00 O ATOM 818 OD2 ASP A 57 12.168 -12.202 -4.557 1.00 0.00 O ATOM 0 H ASP A 57 9.974 -8.035 -5.700 1.00 0.00 H new ATOM 0 HA ASP A 57 9.852 -10.709 -6.772 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.382 -9.295 -4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.492 -10.496 -3.931 1.00 0.00 H new ATOM 823 N GLY A 58 8.194 -10.179 -3.958 1.00 0.00 N ATOM 824 CA GLY A 58 7.028 -10.622 -3.217 1.00 0.00 C ATOM 825 C GLY A 58 5.750 -10.037 -3.756 1.00 0.00 C ATOM 826 O GLY A 58 4.796 -10.758 -4.046 1.00 0.00 O ATOM 0 H GLY A 58 8.811 -9.546 -3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.970 -11.710 -3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.139 -10.343 -2.169 1.00 0.00 H new ATOM 830 N ILE A 59 5.737 -8.724 -3.890 1.00 0.00 N ATOM 831 CA ILE A 59 4.593 -8.003 -4.393 1.00 0.00 C ATOM 832 C ILE A 59 4.510 -8.103 -5.903 1.00 0.00 C ATOM 833 O ILE A 59 4.126 -7.162 -6.597 1.00 0.00 O ATOM 834 CB ILE A 59 4.662 -6.535 -3.950 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.087 -6.456 -2.480 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.315 -5.870 -4.157 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.578 -6.543 -2.262 1.00 0.00 C ATOM 0 H ILE A 59 6.529 -8.127 -3.650 1.00 0.00 H new ATOM 0 HA ILE A 59 3.691 -8.453 -3.979 1.00 0.00 H new ATOM 0 HB ILE A 59 5.402 -6.009 -4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.723 -5.519 -2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.603 -7.263 -1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.371 -4.828 -3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.045 -5.915 -5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.559 -6.388 -3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.794 -6.479 -1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.948 -7.492 -2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.070 -5.721 -2.782 1.00 0.00 H new ATOM 849 N LYS A 60 4.798 -9.302 -6.373 1.00 0.00 N ATOM 850 CA LYS A 60 4.675 -9.598 -7.790 1.00 0.00 C ATOM 851 C LYS A 60 3.278 -9.141 -8.195 1.00 0.00 C ATOM 852 O LYS A 60 3.082 -8.400 -9.155 1.00 0.00 O ATOM 853 CB LYS A 60 4.835 -11.096 -8.060 1.00 0.00 C ATOM 854 CG LYS A 60 6.256 -11.516 -8.389 1.00 0.00 C ATOM 855 CD LYS A 60 6.448 -11.707 -9.885 1.00 0.00 C ATOM 856 CE LYS A 60 7.912 -11.920 -10.239 1.00 0.00 C ATOM 857 NZ LYS A 60 8.368 -10.976 -11.296 1.00 0.00 N ATOM 0 H LYS A 60 5.117 -10.083 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 60 5.453 -9.090 -8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.497 -11.651 -7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.183 -11.377 -8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.953 -10.761 -8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.492 -12.445 -7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.864 -12.563 -10.221 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.068 -10.834 -10.416 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.524 -11.790 -9.347 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.058 -12.945 -10.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.370 -11.152 -11.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.800 -11.117 -12.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.252 -9.998 -10.962 1.00 0.00 H new ATOM 871 N GLY A 61 2.316 -9.657 -7.441 1.00 0.00 N ATOM 872 CA GLY A 61 0.917 -9.392 -7.675 1.00 0.00 C ATOM 873 C GLY A 61 0.252 -10.640 -8.187 1.00 0.00 C ATOM 874 O GLY A 61 -0.524 -10.621 -9.143 1.00 0.00 O ATOM 0 H GLY A 61 2.493 -10.273 -6.648 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.438 -9.064 -6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.804 -8.584 -8.398 1.00 0.00 H new ATOM 878 N HIS A 62 0.598 -11.745 -7.541 1.00 0.00 N ATOM 879 CA HIS A 62 0.077 -13.056 -7.919 1.00 0.00 C ATOM 880 C HIS A 62 -0.574 -13.787 -6.744 1.00 0.00 C ATOM 881 O HIS A 62 -1.331 -14.737 -6.945 1.00 0.00 O ATOM 882 CB HIS A 62 1.198 -13.917 -8.513 1.00 0.00 C ATOM 883 CG HIS A 62 2.327 -14.208 -7.566 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.139 -15.314 -7.689 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.790 -13.530 -6.485 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.049 -15.305 -6.730 1.00 0.00 C ATOM 887 NE2 HIS A 62 3.860 -14.232 -5.987 1.00 0.00 N ATOM 0 H HIS A 62 1.240 -11.762 -6.749 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.698 -12.890 -8.667 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.773 -14.861 -8.853 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.599 -13.413 -9.393 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.390 -12.608 -6.089 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.817 -16.050 -6.580 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.418 -13.967 -5.175 1.00 0.00 H new ATOM 895 N LYS A 63 -0.281 -13.354 -5.523 1.00 0.00 N ATOM 896 CA LYS A 63 -0.851 -13.993 -4.343 1.00 0.00 C ATOM 897 C LYS A 63 -1.707 -13.017 -3.539 1.00 0.00 C ATOM 898 O LYS A 63 -1.265 -12.479 -2.524 1.00 0.00 O ATOM 899 CB LYS A 63 0.261 -14.563 -3.462 1.00 0.00 C ATOM 900 CG LYS A 63 1.170 -15.544 -4.183 1.00 0.00 C ATOM 901 CD LYS A 63 0.508 -16.904 -4.341 1.00 0.00 C ATOM 902 CE LYS A 63 1.441 -18.031 -3.934 1.00 0.00 C ATOM 903 NZ LYS A 63 1.338 -19.195 -4.856 1.00 0.00 N ATOM 0 H LYS A 63 0.342 -12.571 -5.325 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.494 -14.805 -4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.863 -13.741 -3.075 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.188 -15.061 -2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.429 -15.148 -5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.102 -15.654 -3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.396 -16.942 -3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.201 -17.042 -5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.468 -17.666 -3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.205 -18.350 -2.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.990 -19.943 -4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.364 -19.559 -4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.588 -18.897 -5.821 1.00 0.00 H new ATOM 917 N ALA A 64 -2.946 -12.822 -3.981 1.00 0.00 N ATOM 918 CA ALA A 64 -3.880 -11.945 -3.286 1.00 0.00 C ATOM 919 C ALA A 64 -4.136 -12.431 -1.859 1.00 0.00 C ATOM 920 O ALA A 64 -4.962 -13.317 -1.638 1.00 0.00 O ATOM 921 CB ALA A 64 -5.187 -11.852 -4.060 1.00 0.00 C ATOM 0 H ALA A 64 -3.326 -13.261 -4.819 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.434 -10.952 -3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.877 -11.194 -3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.993 -11.450 -5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.628 -12.845 -4.149 1.00 0.00 H new ATOM 927 N GLY A 65 -3.433 -11.850 -0.894 1.00 0.00 N ATOM 928 CA GLY A 65 -3.612 -12.245 0.494 1.00 0.00 C ATOM 929 C GLY A 65 -2.481 -13.116 1.006 1.00 0.00 C ATOM 930 O GLY A 65 -2.694 -14.002 1.834 1.00 0.00 O ATOM 0 H GLY A 65 -2.743 -11.114 -1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.687 -11.352 1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.554 -12.784 0.595 1.00 0.00 H new ATOM 934 N GLU A 66 -1.278 -12.862 0.506 1.00 0.00 N ATOM 935 CA GLU A 66 -0.097 -13.621 0.905 1.00 0.00 C ATOM 936 C GLU A 66 0.696 -12.880 1.972 1.00 0.00 C ATOM 937 O GLU A 66 0.518 -11.681 2.156 1.00 0.00 O ATOM 938 CB GLU A 66 0.795 -13.865 -0.311 1.00 0.00 C ATOM 939 CG GLU A 66 1.568 -15.170 -0.257 1.00 0.00 C ATOM 940 CD GLU A 66 2.988 -15.025 -0.769 1.00 0.00 C ATOM 941 OE1 GLU A 66 3.178 -14.354 -1.806 1.00 0.00 O ATOM 942 OE2 GLU A 66 3.909 -15.578 -0.133 1.00 0.00 O ATOM 0 H GLU A 66 -1.093 -12.131 -0.181 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.429 -14.573 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.178 -13.857 -1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.501 -13.040 -0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.591 -15.533 0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.047 -15.922 -0.849 1.00 0.00 H new ATOM 949 N GLU A 67 1.587 -13.598 2.650 1.00 0.00 N ATOM 950 CA GLU A 67 2.436 -13.007 3.682 1.00 0.00 C ATOM 951 C GLU A 67 3.891 -13.387 3.427 1.00 0.00 C ATOM 952 O GLU A 67 4.284 -14.537 3.619 1.00 0.00 O ATOM 953 CB GLU A 67 2.001 -13.471 5.074 1.00 0.00 C ATOM 954 CG GLU A 67 1.715 -14.961 5.159 1.00 0.00 C ATOM 955 CD GLU A 67 0.258 -15.260 5.446 1.00 0.00 C ATOM 956 OE1 GLU A 67 -0.614 -14.599 4.843 1.00 0.00 O ATOM 957 OE2 GLU A 67 -0.013 -16.154 6.276 1.00 0.00 O ATOM 0 H GLU A 67 1.741 -14.596 2.503 1.00 0.00 H new ATOM 0 HA GLU A 67 2.335 -11.922 3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.781 -13.218 5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.107 -12.921 5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.001 -15.436 4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.333 -15.402 5.941 1.00 0.00 H new ATOM 964 N PHE A 68 4.677 -12.424 2.954 1.00 0.00 N ATOM 965 CA PHE A 68 6.080 -12.674 2.629 1.00 0.00 C ATOM 966 C PHE A 68 6.979 -11.534 3.110 1.00 0.00 C ATOM 967 O PHE A 68 6.501 -10.463 3.476 1.00 0.00 O ATOM 968 CB PHE A 68 6.221 -12.847 1.123 1.00 0.00 C ATOM 969 CG PHE A 68 5.563 -11.736 0.373 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.216 -10.533 0.211 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.285 -11.883 -0.142 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.609 -9.488 -0.460 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.671 -10.842 -0.810 1.00 0.00 C ATOM 974 CZ PHE A 68 4.334 -9.644 -0.970 1.00 0.00 C ATOM 0 H PHE A 68 4.369 -11.466 2.787 1.00 0.00 H new ATOM 0 HA PHE A 68 6.396 -13.583 3.141 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.278 -12.888 0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.781 -13.798 0.824 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.211 -10.406 0.612 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.764 -12.821 -0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.131 -8.551 -0.586 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.674 -10.966 -1.206 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.858 -8.828 -1.493 1.00 0.00 H new ATOM 984 N THR A 69 8.284 -11.779 3.112 1.00 0.00 N ATOM 985 CA THR A 69 9.254 -10.781 3.554 1.00 0.00 C ATOM 986 C THR A 69 10.333 -10.559 2.498 1.00 0.00 C ATOM 987 O THR A 69 11.003 -11.504 2.083 1.00 0.00 O ATOM 988 CB THR A 69 9.896 -11.223 4.874 1.00 0.00 C ATOM 989 OG1 THR A 69 8.906 -11.639 5.797 1.00 0.00 O ATOM 990 CG2 THR A 69 10.718 -10.141 5.540 1.00 0.00 C ATOM 0 H THR A 69 8.697 -12.662 2.812 1.00 0.00 H new ATOM 0 HA THR A 69 8.728 -9.839 3.706 1.00 0.00 H new ATOM 0 HB THR A 69 10.561 -12.044 4.607 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.335 -11.919 6.633 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.141 -10.525 6.468 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.524 -9.834 4.873 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.082 -9.284 5.759 1.00 0.00 H new ATOM 998 N ILE A 70 10.506 -9.308 2.065 1.00 0.00 N ATOM 999 CA ILE A 70 11.515 -8.998 1.060 1.00 0.00 C ATOM 1000 C ILE A 70 12.337 -7.785 1.463 1.00 0.00 C ATOM 1001 O ILE A 70 11.952 -7.026 2.352 1.00 0.00 O ATOM 1002 CB ILE A 70 10.884 -8.741 -0.328 1.00 0.00 C ATOM 1003 CG1 ILE A 70 10.048 -7.457 -0.317 1.00 0.00 C ATOM 1004 CG2 ILE A 70 10.035 -9.929 -0.758 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.792 -7.554 0.519 1.00 0.00 C ATOM 0 H ILE A 70 9.967 -8.506 2.391 1.00 0.00 H new ATOM 0 HA ILE A 70 12.165 -9.871 0.994 1.00 0.00 H new ATOM 0 HB ILE A 70 11.691 -8.615 -1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.661 -6.638 0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.773 -7.205 -1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.599 -9.729 -1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.659 -10.821 -0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.238 -10.088 -0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.253 -6.607 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.157 -8.350 0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.059 -7.775 1.552 1.00 0.00 H new ATOM 1017 N ASP A 71 13.452 -7.587 0.774 1.00 0.00 N ATOM 1018 CA ASP A 71 14.311 -6.442 1.025 1.00 0.00 C ATOM 1019 C ASP A 71 13.942 -5.331 0.054 1.00 0.00 C ATOM 1020 O ASP A 71 13.556 -5.609 -1.077 1.00 0.00 O ATOM 1021 CB ASP A 71 15.782 -6.827 0.849 1.00 0.00 C ATOM 1022 CG ASP A 71 16.062 -7.425 -0.516 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.889 -6.709 -1.525 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.455 -8.609 -0.576 1.00 0.00 O ATOM 0 H ASP A 71 13.782 -8.207 0.035 1.00 0.00 H new ATOM 0 HA ASP A 71 14.170 -6.100 2.050 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.406 -5.944 0.991 1.00 0.00 H new ATOM 0 HB3 ASP A 71 16.063 -7.543 1.621 1.00 0.00 H new ATOM 1029 N VAL A 72 14.075 -4.082 0.471 1.00 0.00 N ATOM 1030 CA VAL A 72 13.759 -2.967 -0.418 1.00 0.00 C ATOM 1031 C VAL A 72 14.667 -1.775 -0.159 1.00 0.00 C ATOM 1032 O VAL A 72 14.863 -1.369 0.985 1.00 0.00 O ATOM 1033 CB VAL A 72 12.292 -2.510 -0.282 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.378 -3.363 -1.148 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.846 -2.541 1.171 1.00 0.00 C ATOM 0 H VAL A 72 14.394 -3.814 1.402 1.00 0.00 H new ATOM 0 HA VAL A 72 13.920 -3.337 -1.431 1.00 0.00 H new ATOM 0 HB VAL A 72 12.225 -1.480 -0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.349 -3.022 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.678 -3.273 -2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.451 -4.405 -0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.808 -2.214 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.933 -3.557 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.476 -1.874 1.759 1.00 0.00 H new ATOM 1045 N THR A 73 15.197 -1.198 -1.230 1.00 0.00 N ATOM 1046 CA THR A 73 16.062 -0.032 -1.134 1.00 0.00 C ATOM 1047 C THR A 73 15.834 0.833 -2.369 1.00 0.00 C ATOM 1048 O THR A 73 15.948 0.353 -3.497 1.00 0.00 O ATOM 1049 CB THR A 73 17.537 -0.454 -1.034 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.828 -0.985 0.250 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.511 0.681 -1.284 1.00 0.00 C ATOM 0 H THR A 73 15.040 -1.524 -2.184 1.00 0.00 H new ATOM 0 HA THR A 73 15.823 0.533 -0.233 1.00 0.00 H new ATOM 0 HB THR A 73 17.667 -1.204 -1.814 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.997 -1.079 0.761 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.532 0.310 -1.197 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.354 1.081 -2.286 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.348 1.469 -0.549 1.00 0.00 H new ATOM 1059 N PHE A 74 15.496 2.098 -2.161 1.00 0.00 N ATOM 1060 CA PHE A 74 15.236 3.002 -3.272 1.00 0.00 C ATOM 1061 C PHE A 74 16.528 3.620 -3.803 1.00 0.00 C ATOM 1062 O PHE A 74 17.415 3.985 -3.030 1.00 0.00 O ATOM 1063 CB PHE A 74 14.255 4.086 -2.834 1.00 0.00 C ATOM 1064 CG PHE A 74 12.847 3.579 -2.710 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.546 2.514 -1.873 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.829 4.154 -3.445 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.251 2.036 -1.777 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.534 3.686 -3.353 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.243 2.625 -2.520 1.00 0.00 C ATOM 0 H PHE A 74 15.396 2.520 -1.238 1.00 0.00 H new ATOM 0 HA PHE A 74 14.793 2.429 -4.087 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.575 4.494 -1.875 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.280 4.905 -3.553 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.330 2.054 -1.291 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.050 4.982 -4.102 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.028 1.205 -1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.749 4.150 -3.932 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.231 2.255 -2.448 1.00 0.00 H new ATOM 1079 N PRO A 75 16.655 3.735 -5.137 1.00 0.00 N ATOM 1080 CA PRO A 75 17.848 4.301 -5.776 1.00 0.00 C ATOM 1081 C PRO A 75 18.025 5.786 -5.489 1.00 0.00 C ATOM 1082 O PRO A 75 17.261 6.381 -4.729 1.00 0.00 O ATOM 1083 CB PRO A 75 17.599 4.083 -7.269 1.00 0.00 C ATOM 1084 CG PRO A 75 16.121 3.965 -7.396 1.00 0.00 C ATOM 1085 CD PRO A 75 15.648 3.313 -6.129 1.00 0.00 C ATOM 0 HA PRO A 75 18.757 3.829 -5.404 1.00 0.00 H new ATOM 0 HB2 PRO A 75 17.981 4.916 -7.859 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.100 3.183 -7.626 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.661 4.945 -7.526 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.851 3.368 -8.267 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.647 3.646 -5.854 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.607 2.228 -6.225 1.00 0.00 H new ATOM 1093 N GLU A 76 19.045 6.376 -6.107 1.00 0.00 N ATOM 1094 CA GLU A 76 19.336 7.792 -5.927 1.00 0.00 C ATOM 1095 C GLU A 76 18.375 8.666 -6.724 1.00 0.00 C ATOM 1096 O GLU A 76 18.229 9.855 -6.443 1.00 0.00 O ATOM 1097 CB GLU A 76 20.779 8.093 -6.332 1.00 0.00 C ATOM 1098 CG GLU A 76 21.498 9.030 -5.374 1.00 0.00 C ATOM 1099 CD GLU A 76 22.651 8.356 -4.656 1.00 0.00 C ATOM 1100 OE1 GLU A 76 23.228 7.403 -5.222 1.00 0.00 O ATOM 1101 OE2 GLU A 76 22.978 8.782 -3.529 1.00 0.00 O ATOM 0 H GLU A 76 19.684 5.892 -6.738 1.00 0.00 H new ATOM 0 HA GLU A 76 19.204 8.026 -4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.333 7.156 -6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.783 8.533 -7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.873 9.892 -5.927 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.787 9.407 -4.639 1.00 0.00 H new ATOM 1108 N GLU A 77 17.716 8.075 -7.713 1.00 0.00 N ATOM 1109 CA GLU A 77 16.770 8.816 -8.529 1.00 0.00 C ATOM 1110 C GLU A 77 15.402 8.818 -7.860 1.00 0.00 C ATOM 1111 O GLU A 77 14.692 9.825 -7.876 1.00 0.00 O ATOM 1112 CB GLU A 77 16.679 8.210 -9.932 1.00 0.00 C ATOM 1113 CG GLU A 77 16.246 6.753 -9.943 1.00 0.00 C ATOM 1114 CD GLU A 77 15.887 6.264 -11.333 1.00 0.00 C ATOM 1115 OE1 GLU A 77 16.809 5.892 -12.089 1.00 0.00 O ATOM 1116 OE2 GLU A 77 14.682 6.255 -11.667 1.00 0.00 O ATOM 0 H GLU A 77 17.820 7.092 -7.966 1.00 0.00 H new ATOM 0 HA GLU A 77 17.118 9.844 -8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 77 15.974 8.793 -10.525 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.651 8.294 -10.418 1.00 0.00 H new ATOM 0 HG2 GLU A 77 17.049 6.136 -9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.387 6.628 -9.284 1.00 0.00 H new ATOM 1123 N TYR A 78 15.050 7.693 -7.249 1.00 0.00 N ATOM 1124 CA TYR A 78 13.778 7.574 -6.544 1.00 0.00 C ATOM 1125 C TYR A 78 13.845 8.286 -5.201 1.00 0.00 C ATOM 1126 O TYR A 78 13.657 7.667 -4.152 1.00 0.00 O ATOM 1127 CB TYR A 78 13.401 6.110 -6.333 1.00 0.00 C ATOM 1128 CG TYR A 78 11.910 5.886 -6.197 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.111 6.759 -5.462 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.301 4.801 -6.806 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.751 6.552 -5.343 1.00 0.00 C ATOM 1132 CE2 TYR A 78 9.942 4.588 -6.694 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.171 5.466 -5.962 1.00 0.00 C ATOM 1134 OH TYR A 78 7.816 5.258 -5.849 1.00 0.00 O ATOM 0 H TYR A 78 15.626 6.851 -7.227 1.00 0.00 H new ATOM 0 HA TYR A 78 13.011 8.044 -7.160 1.00 0.00 H new ATOM 0 HB2 TYR A 78 13.774 5.522 -7.172 1.00 0.00 H new ATOM 0 HB3 TYR A 78 13.900 5.740 -5.437 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.563 7.612 -4.977 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.901 4.109 -7.379 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.145 7.237 -4.768 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.485 3.737 -7.178 1.00 0.00 H new ATOM 0 HH TYR A 78 7.567 4.450 -6.345 1.00 0.00 H new ATOM 1144 N HIS A 79 14.119 9.579 -5.226 1.00 0.00 N ATOM 1145 CA HIS A 79 14.214 10.344 -3.996 1.00 0.00 C ATOM 1146 C HIS A 79 12.935 11.124 -3.732 1.00 0.00 C ATOM 1147 O HIS A 79 12.878 12.338 -3.933 1.00 0.00 O ATOM 1148 CB HIS A 79 15.415 11.285 -4.049 1.00 0.00 C ATOM 1149 CG HIS A 79 16.694 10.618 -3.656 1.00 0.00 C ATOM 1150 ND1 HIS A 79 17.867 11.307 -3.431 1.00 0.00 N ATOM 1151 CD2 HIS A 79 16.982 9.310 -3.443 1.00 0.00 C ATOM 1152 CE1 HIS A 79 18.820 10.456 -3.098 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.309 9.238 -3.099 1.00 0.00 N ATOM 0 H HIS A 79 14.278 10.117 -6.078 1.00 0.00 H new ATOM 0 HA HIS A 79 14.353 9.644 -3.172 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.514 11.683 -5.059 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.235 12.133 -3.388 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.296 8.480 -3.528 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.843 10.712 -2.865 1.00 0.00 H new ATOM 0 HE2 HIS A 79 18.818 8.382 -2.880 1.00 0.00 H new ATOM 1161 N ALA A 80 11.911 10.416 -3.265 1.00 0.00 N ATOM 1162 CA ALA A 80 10.632 11.035 -2.953 1.00 0.00 C ATOM 1163 C ALA A 80 10.691 11.709 -1.588 1.00 0.00 C ATOM 1164 O ALA A 80 11.234 11.157 -0.635 1.00 0.00 O ATOM 1165 CB ALA A 80 9.520 9.997 -2.986 1.00 0.00 C ATOM 0 H ALA A 80 11.945 9.411 -3.095 1.00 0.00 H new ATOM 0 HA ALA A 80 10.419 11.794 -3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.569 10.475 -2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.467 9.553 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.727 9.219 -2.251 1.00 0.00 H new ATOM 1171 N GLU A 81 10.136 12.908 -1.495 1.00 0.00 N ATOM 1172 CA GLU A 81 10.139 13.660 -0.242 1.00 0.00 C ATOM 1173 C GLU A 81 9.609 12.830 0.929 1.00 0.00 C ATOM 1174 O GLU A 81 9.830 13.178 2.089 1.00 0.00 O ATOM 1175 CB GLU A 81 9.296 14.925 -0.389 1.00 0.00 C ATOM 1176 CG GLU A 81 7.838 14.645 -0.715 1.00 0.00 C ATOM 1177 CD GLU A 81 6.967 15.881 -0.606 1.00 0.00 C ATOM 1178 OE1 GLU A 81 6.982 16.524 0.466 1.00 0.00 O ATOM 1179 OE2 GLU A 81 6.270 16.205 -1.589 1.00 0.00 O ATOM 0 H GLU A 81 9.677 13.384 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 81 11.174 13.923 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.350 15.498 0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.723 15.548 -1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.767 14.243 -1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.460 13.878 -0.039 1.00 0.00 H new ATOM 1186 N ASN A 82 8.892 11.750 0.632 1.00 0.00 N ATOM 1187 CA ASN A 82 8.318 10.912 1.680 1.00 0.00 C ATOM 1188 C ASN A 82 9.215 9.733 2.060 1.00 0.00 C ATOM 1189 O ASN A 82 9.351 9.418 3.243 1.00 0.00 O ATOM 1190 CB ASN A 82 6.944 10.397 1.249 1.00 0.00 C ATOM 1191 CG ASN A 82 6.995 9.631 -0.058 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.673 10.164 -1.119 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.398 8.370 0.016 1.00 0.00 N ATOM 0 H ASN A 82 8.696 11.436 -0.318 1.00 0.00 H new ATOM 0 HA ASN A 82 8.222 11.541 2.565 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.540 9.752 2.029 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.260 11.239 1.146 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.451 7.801 -0.829 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.656 7.969 0.918 1.00 0.00 H new ATOM 1200 N LEU A 83 9.803 9.057 1.073 1.00 0.00 N ATOM 1201 CA LEU A 83 10.645 7.896 1.369 1.00 0.00 C ATOM 1202 C LEU A 83 11.962 7.879 0.582 1.00 0.00 C ATOM 1203 O LEU A 83 12.651 6.864 0.533 1.00 0.00 O ATOM 1204 CB LEU A 83 9.839 6.607 1.148 1.00 0.00 C ATOM 1205 CG LEU A 83 9.865 5.977 -0.257 1.00 0.00 C ATOM 1206 CD1 LEU A 83 9.916 7.010 -1.368 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.032 5.029 -0.364 1.00 0.00 C ATOM 0 H LEU A 83 9.716 9.285 0.083 1.00 0.00 H new ATOM 0 HA LEU A 83 10.939 7.966 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.199 5.861 1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.800 6.814 1.403 1.00 0.00 H new ATOM 0 HG LEU A 83 8.930 5.432 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.932 6.505 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.037 7.652 -1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.815 7.616 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.049 4.584 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 83 11.960 5.574 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 83 10.931 4.242 0.384 1.00 0.00 H new ATOM 1219 N LYS A 84 12.312 9.010 -0.015 1.00 0.00 N ATOM 1220 CA LYS A 84 13.550 9.145 -0.796 1.00 0.00 C ATOM 1221 C LYS A 84 14.712 8.319 -0.228 1.00 0.00 C ATOM 1222 O LYS A 84 14.952 8.307 0.979 1.00 0.00 O ATOM 1223 CB LYS A 84 13.966 10.617 -0.856 1.00 0.00 C ATOM 1224 CG LYS A 84 14.101 11.264 0.514 1.00 0.00 C ATOM 1225 CD LYS A 84 14.751 12.638 0.423 1.00 0.00 C ATOM 1226 CE LYS A 84 13.949 13.684 1.181 1.00 0.00 C ATOM 1227 NZ LYS A 84 14.184 13.607 2.650 1.00 0.00 N ATOM 0 H LYS A 84 11.753 9.862 0.024 1.00 0.00 H new ATOM 0 HA LYS A 84 13.334 8.762 -1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.917 10.697 -1.382 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.231 11.171 -1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.116 11.356 0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.696 10.622 1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.763 12.591 0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.838 12.932 -0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.217 14.678 0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.887 13.547 0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.619 14.336 3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.904 12.668 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.193 13.763 2.849 1.00 0.00 H new ATOM 1241 N GLY A 85 15.442 7.651 -1.126 1.00 0.00 N ATOM 1242 CA GLY A 85 16.596 6.844 -0.737 1.00 0.00 C ATOM 1243 C GLY A 85 16.361 5.979 0.488 1.00 0.00 C ATOM 1244 O GLY A 85 17.152 6.004 1.431 1.00 0.00 O ATOM 0 H GLY A 85 15.252 7.655 -2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.876 6.203 -1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.441 7.506 -0.545 1.00 0.00 H new ATOM 1248 N LYS A 86 15.267 5.229 0.487 1.00 0.00 N ATOM 1249 CA LYS A 86 14.921 4.370 1.618 1.00 0.00 C ATOM 1250 C LYS A 86 15.511 2.964 1.500 1.00 0.00 C ATOM 1251 O LYS A 86 14.833 2.033 1.064 1.00 0.00 O ATOM 1252 CB LYS A 86 13.404 4.274 1.719 1.00 0.00 C ATOM 1253 CG LYS A 86 12.891 3.324 2.790 1.00 0.00 C ATOM 1254 CD LYS A 86 11.601 2.644 2.350 1.00 0.00 C ATOM 1255 CE LYS A 86 10.391 3.543 2.570 1.00 0.00 C ATOM 1256 NZ LYS A 86 9.400 2.948 3.509 1.00 0.00 N ATOM 0 H LYS A 86 14.601 5.196 -0.285 1.00 0.00 H new ATOM 0 HA LYS A 86 15.347 4.821 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.004 5.269 1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.010 3.957 0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.648 2.570 3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.718 3.874 3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.671 2.378 1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.471 1.715 2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.724 4.505 2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.908 3.737 1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.559 3.558 3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.123 2.005 3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.824 2.865 4.455 1.00 0.00 H new ATOM 1270 N ALA A 87 16.754 2.805 1.937 1.00 0.00 N ATOM 1271 CA ALA A 87 17.405 1.500 1.926 1.00 0.00 C ATOM 1272 C ALA A 87 17.003 0.738 3.183 1.00 0.00 C ATOM 1273 O ALA A 87 17.616 0.903 4.236 1.00 0.00 O ATOM 1274 CB ALA A 87 18.917 1.656 1.854 1.00 0.00 C ATOM 0 H ALA A 87 17.331 3.562 2.303 1.00 0.00 H new ATOM 0 HA ALA A 87 17.087 0.942 1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.384 0.671 1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.185 2.191 0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.267 2.217 2.721 1.00 0.00 H new ATOM 1280 N ALA A 88 15.944 -0.061 3.083 1.00 0.00 N ATOM 1281 CA ALA A 88 15.450 -0.792 4.246 1.00 0.00 C ATOM 1282 C ALA A 88 15.053 -2.238 3.946 1.00 0.00 C ATOM 1283 O ALA A 88 15.336 -2.787 2.881 1.00 0.00 O ATOM 1284 CB ALA A 88 14.269 -0.038 4.850 1.00 0.00 C ATOM 0 H ALA A 88 15.418 -0.217 2.223 1.00 0.00 H new ATOM 0 HA ALA A 88 16.276 -0.851 4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.897 -0.581 5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.591 0.958 5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.475 0.048 4.109 1.00 0.00 H new ATOM 1290 N LYS A 89 14.374 -2.823 4.925 1.00 0.00 N ATOM 1291 CA LYS A 89 13.878 -4.189 4.857 1.00 0.00 C ATOM 1292 C LYS A 89 12.397 -4.170 5.207 1.00 0.00 C ATOM 1293 O LYS A 89 11.991 -3.434 6.106 1.00 0.00 O ATOM 1294 CB LYS A 89 14.671 -5.076 5.824 1.00 0.00 C ATOM 1295 CG LYS A 89 14.078 -6.460 6.044 1.00 0.00 C ATOM 1296 CD LYS A 89 14.214 -6.889 7.496 1.00 0.00 C ATOM 1297 CE LYS A 89 13.352 -6.032 8.407 1.00 0.00 C ATOM 1298 NZ LYS A 89 11.961 -6.555 8.505 1.00 0.00 N ATOM 0 H LYS A 89 14.150 -2.353 5.802 1.00 0.00 H new ATOM 0 HA LYS A 89 14.005 -4.600 3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.687 -5.186 5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.743 -4.569 6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 89 13.026 -6.458 5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 89 14.581 -7.181 5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.925 -7.935 7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 89 15.257 -6.815 7.803 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.798 -5.996 9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.330 -5.009 8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.474 -6.099 9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.450 -6.349 7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.987 -7.583 8.658 1.00 0.00 H new ATOM 1312 N PHE A 90 11.590 -4.988 4.534 1.00 0.00 N ATOM 1313 CA PHE A 90 10.151 -5.045 4.827 1.00 0.00 C ATOM 1314 C PHE A 90 9.633 -6.469 4.864 1.00 0.00 C ATOM 1315 O PHE A 90 10.167 -7.349 4.190 1.00 0.00 O ATOM 1316 CB PHE A 90 9.307 -4.362 3.746 1.00 0.00 C ATOM 1317 CG PHE A 90 9.500 -2.893 3.527 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.332 -2.122 4.317 1.00 0.00 C ATOM 1319 CD2 PHE A 90 8.805 -2.287 2.503 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.468 -0.768 4.081 1.00 0.00 C ATOM 1321 CE2 PHE A 90 8.932 -0.938 2.261 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.766 -0.178 3.050 1.00 0.00 C ATOM 0 H PHE A 90 11.898 -5.615 3.791 1.00 0.00 H new ATOM 0 HA PHE A 90 10.056 -4.547 5.792 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.501 -4.869 2.801 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.257 -4.529 3.987 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.880 -2.582 5.126 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.151 -2.880 1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.122 -0.173 4.701 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.380 -0.477 1.455 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.871 0.880 2.862 1.00 0.00 H new ATOM 1332 N ALA A 91 8.529 -6.668 5.574 1.00 0.00 N ATOM 1333 CA ALA A 91 7.857 -7.951 5.619 1.00 0.00 C ATOM 1334 C ALA A 91 6.436 -7.646 5.180 1.00 0.00 C ATOM 1335 O ALA A 91 5.667 -7.013 5.905 1.00 0.00 O ATOM 1336 CB ALA A 91 7.890 -8.550 7.018 1.00 0.00 C ATOM 0 H ALA A 91 8.079 -5.943 6.132 1.00 0.00 H new ATOM 0 HA ALA A 91 8.338 -8.691 4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.377 -9.512 7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.925 -8.692 7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.392 -7.876 7.714 1.00 0.00 H new ATOM 1342 N ILE A 92 6.142 -7.996 3.938 1.00 0.00 N ATOM 1343 CA ILE A 92 4.868 -7.653 3.327 1.00 0.00 C ATOM 1344 C ILE A 92 3.853 -8.783 3.248 1.00 0.00 C ATOM 1345 O ILE A 92 4.182 -9.963 3.319 1.00 0.00 O ATOM 1346 CB ILE A 92 5.113 -7.129 1.899 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.230 -6.075 1.897 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.829 -6.586 1.299 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.292 -5.233 0.641 1.00 0.00 C ATOM 0 H ILE A 92 6.772 -8.520 3.331 1.00 0.00 H new ATOM 0 HA ILE A 92 4.434 -6.900 3.985 1.00 0.00 H new ATOM 0 HB ILE A 92 5.441 -7.959 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.093 -5.417 2.755 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.188 -6.578 2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.024 -6.221 0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.082 -7.379 1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.457 -5.767 1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.108 -4.515 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.462 -5.878 -0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.351 -4.699 0.514 1.00 0.00 H new ATOM 1361 N ASN A 93 2.604 -8.368 3.050 1.00 0.00 N ATOM 1362 CA ASN A 93 1.479 -9.271 2.894 1.00 0.00 C ATOM 1363 C ASN A 93 0.614 -8.784 1.726 1.00 0.00 C ATOM 1364 O ASN A 93 -0.107 -7.794 1.854 1.00 0.00 O ATOM 1365 CB ASN A 93 0.661 -9.320 4.187 1.00 0.00 C ATOM 1366 CG ASN A 93 -0.490 -10.303 4.119 1.00 0.00 C ATOM 1367 OD1 ASN A 93 -0.368 -11.448 4.556 1.00 0.00 O ATOM 1368 ND2 ASN A 93 -1.613 -9.862 3.569 1.00 0.00 N ATOM 0 H ASN A 93 2.347 -7.382 2.994 1.00 0.00 H new ATOM 0 HA ASN A 93 1.838 -10.278 2.683 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.316 -9.591 5.015 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.271 -8.325 4.402 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.421 -10.480 3.495 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.669 -8.905 3.220 1.00 0.00 H new ATOM 1375 N LEU A 94 0.709 -9.460 0.580 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.047 -9.062 -0.612 1.00 0.00 C ATOM 1377 C LEU A 94 -1.546 -9.240 -0.417 1.00 0.00 C ATOM 1378 O LEU A 94 -1.980 -10.040 0.410 1.00 0.00 O ATOM 1379 CB LEU A 94 0.419 -9.858 -1.833 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.149 -9.386 -3.174 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.429 -8.031 -3.550 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.133 -10.409 -4.265 1.00 0.00 C ATOM 0 H LEU A 94 1.299 -10.282 0.450 1.00 0.00 H new ATOM 0 HA LEU A 94 0.145 -8.002 -0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.507 -9.814 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.148 -10.904 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.229 -9.283 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.014 -7.711 -4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.175 -7.301 -2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.513 -8.108 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.278 -10.055 -5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.210 -10.546 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.330 -11.360 -4.001 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.340 -8.495 -1.195 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.792 -8.583 -1.104 1.00 0.00 C ATOM 1396 C LYS A 95 -4.456 -8.284 -2.458 1.00 0.00 C ATOM 1397 O LYS A 95 -4.437 -9.118 -3.360 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.322 -7.638 -0.016 1.00 0.00 C ATOM 1399 CG LYS A 95 -3.851 -7.988 1.388 1.00 0.00 C ATOM 1400 CD LYS A 95 -4.969 -7.840 2.409 1.00 0.00 C ATOM 1401 CE LYS A 95 -5.257 -6.379 2.720 1.00 0.00 C ATOM 1402 NZ LYS A 95 -6.637 -5.983 2.320 1.00 0.00 N ATOM 0 H LYS A 95 -1.999 -7.830 -1.889 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.050 -9.606 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.011 -6.620 -0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.412 -7.651 -0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.478 -9.012 1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.018 -7.342 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.873 -8.317 2.030 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.695 -8.360 3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.125 -6.203 3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.535 -5.749 2.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.791 -4.980 2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.756 -6.126 1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.328 -6.566 2.834 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.086 -7.116 -2.581 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.793 -6.766 -3.805 1.00 0.00 C ATOM 1418 C LYS A 96 -4.851 -6.427 -4.954 1.00 0.00 C ATOM 1419 O LYS A 96 -4.308 -5.324 -5.025 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.728 -5.584 -3.544 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.197 -5.912 -3.752 1.00 0.00 C ATOM 1422 CD LYS A 96 -8.907 -6.152 -2.430 1.00 0.00 C ATOM 1423 CE LYS A 96 -10.355 -6.560 -2.643 1.00 0.00 C ATOM 1424 NZ LYS A 96 -10.535 -8.036 -2.557 1.00 0.00 N ATOM 0 H LYS A 96 -5.119 -6.403 -1.852 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.366 -7.644 -4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.583 -5.236 -2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.452 -4.761 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.682 -5.093 -4.283 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.288 -6.798 -4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.387 -6.931 -1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.868 -5.246 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.983 -6.074 -1.896 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.691 -6.210 -3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.536 -8.273 -2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.956 -8.499 -3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.239 -8.368 -1.617 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.694 -7.374 -5.875 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.863 -7.189 -7.056 1.00 0.00 C ATOM 1440 C VAL A 97 -4.749 -7.140 -8.302 1.00 0.00 C ATOM 1441 O VAL A 97 -5.316 -8.153 -8.707 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.829 -8.333 -7.193 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.477 -9.692 -6.933 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.159 -8.310 -8.565 1.00 0.00 C ATOM 0 H VAL A 97 -5.140 -8.290 -5.822 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.320 -6.250 -6.953 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.059 -8.173 -6.439 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.728 -10.478 -7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.888 -9.712 -5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.278 -9.857 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.438 -9.125 -8.632 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.915 -8.430 -9.341 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.645 -7.359 -8.703 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.877 -5.957 -8.897 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.711 -5.786 -10.085 1.00 0.00 C ATOM 1456 C GLU A 98 -4.929 -5.137 -11.226 1.00 0.00 C ATOM 1457 O GLU A 98 -3.754 -4.827 -11.074 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.937 -4.943 -9.738 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.615 -5.357 -8.442 1.00 0.00 C ATOM 1460 CD GLU A 98 -8.094 -6.796 -8.457 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -7.691 -7.549 -9.367 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -8.875 -7.171 -7.558 1.00 0.00 O ATOM 0 H GLU A 98 -4.416 -5.105 -8.578 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.032 -6.772 -10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.639 -3.897 -9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.657 -5.012 -10.553 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.919 -5.220 -7.614 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.464 -4.699 -8.256 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.586 -4.949 -12.373 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.932 -4.352 -13.539 1.00 0.00 C ATOM 1471 C GLU A 99 -5.321 -2.892 -13.734 1.00 0.00 C ATOM 1472 O GLU A 99 -6.218 -2.575 -14.510 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.264 -5.147 -14.803 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.290 -4.906 -15.946 1.00 0.00 C ATOM 1475 CD GLU A 99 -4.920 -4.158 -17.105 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -5.499 -4.819 -17.993 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -4.833 -2.912 -17.125 1.00 0.00 O ATOM 0 H GLU A 99 -6.564 -5.200 -12.519 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.858 -4.388 -13.354 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.273 -6.210 -14.562 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.270 -4.887 -15.133 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.435 -4.340 -15.576 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.909 -5.864 -16.301 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.611 -2.011 -13.044 1.00 0.00 N ATOM 1485 CA ARG A 100 -4.854 -0.579 -13.144 1.00 0.00 C ATOM 1486 C ARG A 100 -4.398 -0.041 -14.496 1.00 0.00 C ATOM 1487 O ARG A 100 -3.376 -0.469 -15.033 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.104 0.154 -12.035 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.593 0.059 -12.183 1.00 0.00 C ATOM 1490 CD ARG A 100 -1.953 1.424 -12.378 1.00 0.00 C ATOM 1491 NE ARG A 100 -1.170 1.481 -13.609 1.00 0.00 N ATOM 1492 CZ ARG A 100 -0.931 2.599 -14.290 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -1.407 3.763 -13.864 1.00 0.00 N ATOM 1494 NH2 ARG A 100 -0.212 2.552 -15.403 1.00 0.00 N ATOM 0 H ARG A 100 -3.858 -2.265 -12.405 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.926 -0.410 -13.042 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.399 1.203 -12.035 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.397 -0.259 -11.070 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.171 -0.416 -11.297 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.351 -0.579 -13.033 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.729 2.189 -12.404 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.311 1.650 -11.527 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.782 0.609 -13.970 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.961 3.805 -13.008 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -1.219 4.615 -14.392 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.156 1.661 -15.735 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.027 3.407 -15.927 1.00 0.00 H new ATOM 1508 N GLU A 101 -5.147 0.914 -15.030 1.00 0.00 N ATOM 1509 CA GLU A 101 -4.806 1.525 -16.306 1.00 0.00 C ATOM 1510 C GLU A 101 -5.294 2.967 -16.352 1.00 0.00 C ATOM 1511 O GLU A 101 -6.355 3.259 -16.898 1.00 0.00 O ATOM 1512 CB GLU A 101 -5.400 0.728 -17.469 1.00 0.00 C ATOM 1513 CG GLU A 101 -4.458 0.607 -18.656 1.00 0.00 C ATOM 1514 CD GLU A 101 -5.093 -0.091 -19.842 1.00 0.00 C ATOM 1515 OE1 GLU A 101 -5.852 0.570 -20.583 1.00 0.00 O ATOM 1516 OE2 GLU A 101 -4.831 -1.297 -20.033 1.00 0.00 O ATOM 0 H GLU A 101 -5.995 1.282 -14.599 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.721 1.518 -16.405 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -5.664 -0.270 -17.120 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -6.324 1.206 -17.794 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.132 1.602 -18.958 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.567 0.058 -18.352 1.00 0.00 H new ATOM 1523 N LEU A 102 -4.512 3.866 -15.769 1.00 0.00 N ATOM 1524 CA LEU A 102 -4.867 5.277 -15.738 1.00 0.00 C ATOM 1525 C LEU A 102 -4.657 5.921 -17.107 1.00 0.00 C ATOM 1526 O LEU A 102 -5.582 6.504 -17.672 1.00 0.00 O ATOM 1527 CB LEU A 102 -4.042 6.001 -14.672 1.00 0.00 C ATOM 1528 CG LEU A 102 -4.561 5.852 -13.241 1.00 0.00 C ATOM 1529 CD1 LEU A 102 -4.929 4.404 -12.952 1.00 0.00 C ATOM 1530 CD2 LEU A 102 -3.521 6.344 -12.246 1.00 0.00 C ATOM 0 H LEU A 102 -3.628 3.642 -15.312 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.924 5.363 -15.484 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.018 5.629 -14.712 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.006 7.062 -14.921 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.458 6.462 -13.136 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.296 4.319 -11.929 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.706 4.081 -13.644 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.049 3.773 -13.075 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.905 6.231 -11.232 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.608 5.759 -12.355 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.303 7.395 -12.437 1.00 0.00 H new ATOM 1542 N PRO A 103 -3.438 5.819 -17.667 1.00 0.00 N ATOM 1543 CA PRO A 103 -3.126 6.390 -18.977 1.00 0.00 C ATOM 1544 C PRO A 103 -3.653 5.529 -20.118 1.00 0.00 C ATOM 1545 O PRO A 103 -3.573 4.301 -20.068 1.00 0.00 O ATOM 1546 CB PRO A 103 -1.600 6.413 -18.985 1.00 0.00 C ATOM 1547 CG PRO A 103 -1.212 5.251 -18.138 1.00 0.00 C ATOM 1548 CD PRO A 103 -2.271 5.137 -17.072 1.00 0.00 C ATOM 0 HA PRO A 103 -3.584 7.368 -19.124 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -1.206 6.318 -19.997 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -1.214 7.348 -18.579 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.156 4.338 -18.731 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -0.228 5.403 -17.695 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.492 4.096 -16.836 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.958 5.614 -16.143 1.00 0.00 H new ATOM 1556 N GLU A 104 -4.187 6.176 -21.146 1.00 0.00 N ATOM 1557 CA GLU A 104 -4.723 5.463 -22.299 1.00 0.00 C ATOM 1558 C GLU A 104 -3.600 4.811 -23.099 1.00 0.00 C ATOM 1559 O GLU A 104 -2.689 5.488 -23.574 1.00 0.00 O ATOM 1560 CB GLU A 104 -5.518 6.417 -23.193 1.00 0.00 C ATOM 1561 CG GLU A 104 -6.297 5.713 -24.292 1.00 0.00 C ATOM 1562 CD GLU A 104 -6.851 6.678 -25.321 1.00 0.00 C ATOM 1563 OE1 GLU A 104 -6.182 7.695 -25.603 1.00 0.00 O ATOM 1564 OE2 GLU A 104 -7.955 6.418 -25.846 1.00 0.00 O ATOM 0 H GLU A 104 -4.261 7.192 -21.205 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.390 4.681 -21.936 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.212 6.987 -22.575 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.832 7.133 -23.646 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.648 4.992 -24.788 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.118 5.150 -23.848 1.00 0.00 H new ATOM 1571 N LEU A 105 -3.670 3.492 -23.239 1.00 0.00 N ATOM 1572 CA LEU A 105 -2.658 2.747 -23.977 1.00 0.00 C ATOM 1573 C LEU A 105 -3.167 2.354 -25.361 1.00 0.00 C ATOM 1574 O LEU A 105 -3.954 1.418 -25.502 1.00 0.00 O ATOM 1575 CB LEU A 105 -2.246 1.497 -23.194 1.00 0.00 C ATOM 1576 CG LEU A 105 -0.742 1.351 -22.952 1.00 0.00 C ATOM 1577 CD1 LEU A 105 -0.480 0.448 -21.757 1.00 0.00 C ATOM 1578 CD2 LEU A 105 -0.051 0.811 -24.196 1.00 0.00 C ATOM 0 H LEU A 105 -4.418 2.917 -22.851 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.788 3.392 -24.104 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.754 1.507 -22.230 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.599 0.617 -23.732 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.330 2.336 -22.733 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.595 0.355 -21.600 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.941 0.878 -20.868 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.905 -0.538 -21.946 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.018 0.714 -24.005 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.465 -0.165 -24.447 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.210 1.497 -25.028 1.00 0.00 H new ATOM 1590 N THR A 106 -2.712 3.077 -26.380 1.00 0.00 N ATOM 1591 CA THR A 106 -3.121 2.805 -27.753 1.00 0.00 C ATOM 1592 C THR A 106 -2.123 1.881 -28.444 1.00 0.00 C ATOM 1593 O THR A 106 -2.400 1.458 -29.586 1.00 0.00 O ATOM 1594 CB THR A 106 -3.250 4.113 -28.536 1.00 0.00 C ATOM 1595 OG1 THR A 106 -3.885 5.106 -27.750 1.00 0.00 O ATOM 1596 CG2 THR A 106 -4.039 3.968 -29.819 1.00 0.00 C ATOM 1597 OXT THR A 106 -1.071 1.588 -27.838 1.00 0.00 O ATOM 0 H THR A 106 -2.060 3.855 -26.280 1.00 0.00 H new ATOM 0 HA THR A 106 -4.091 2.308 -27.727 1.00 0.00 H new ATOM 0 HB THR A 106 -2.229 4.401 -28.788 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.957 5.936 -28.267 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.092 4.932 -30.324 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.547 3.244 -30.469 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.047 3.623 -29.589 1.00 0.00 H new TER 1605 THR A 106