USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 59 MET CE :methyl -143:sc= -0.132 (180deg=-1.04) 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -1.28 USER MOD Single : A 15 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.4) USER MOD Single : A 26 SER OG : rot 78:sc= 0.676 USER MOD Single : A 29 SER OG : rot -150:sc= -0.397! USER MOD Single : A 32 HIS : no HD1:sc= -0.967 K(o=-0.97,f=-5.5!) USER MOD Single : A 37 TYR OH : rot 31:sc= 0.43 USER MOD Single : A 38 TYR OH : rot 75:sc= 1.03 USER MOD Single : A 39 SER OG : rot 180:sc= -0.588 USER MOD Single : A 41 SER OG : rot -41:sc= 0.23 USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0942) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.49 USER MOD Single : A 48 LYS NZ :NH3+ -127:sc= -3.85! (180deg=-6.26!) USER MOD Single : A 50 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.71) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 71:sc= 0.56 USER MOD Single : A 68 THR OG1 : rot -148:sc= -3.4! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.425 1.400 -7.173 1.00 0.00 N ATOM 2 CA GLY A 1 -19.321 2.744 -6.451 1.00 0.00 C ATOM 3 C GLY A 1 -19.262 2.773 -4.961 1.00 0.00 C ATOM 4 O GLY A 1 -18.597 3.603 -4.373 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.456 1.559 -8.200 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.598 0.815 -6.938 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.292 0.911 -6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.429 3.247 -6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.177 3.346 -6.756 1.00 0.00 H new ATOM 10 N SER A 2 -19.951 1.874 -4.314 1.00 0.00 N ATOM 11 CA SER A 2 -19.925 1.847 -2.825 1.00 0.00 C ATOM 12 C SER A 2 -18.584 1.290 -2.346 1.00 0.00 C ATOM 13 O SER A 2 -17.963 0.485 -3.012 1.00 0.00 O ATOM 14 CB SER A 2 -21.059 0.956 -2.311 1.00 0.00 C ATOM 15 OG SER A 2 -22.289 1.664 -2.399 1.00 0.00 O ATOM 0 H SER A 2 -20.530 1.158 -4.752 1.00 0.00 H new ATOM 0 HA SER A 2 -20.055 2.859 -2.442 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.111 0.039 -2.898 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.868 0.663 -1.279 1.00 0.00 H new ATOM 0 HG SER A 2 -23.018 1.096 -2.072 1.00 0.00 H new ATOM 21 N MET A 3 -18.131 1.712 -1.197 1.00 0.00 N ATOM 22 CA MET A 3 -16.829 1.206 -0.678 1.00 0.00 C ATOM 23 C MET A 3 -15.757 1.353 -1.760 1.00 0.00 C ATOM 24 O MET A 3 -15.970 1.986 -2.775 1.00 0.00 O ATOM 25 CB MET A 3 -16.970 -0.270 -0.298 1.00 0.00 C ATOM 26 CG MET A 3 -17.858 -0.396 0.941 1.00 0.00 C ATOM 27 SD MET A 3 -17.989 -2.138 1.416 1.00 0.00 S ATOM 28 CE MET A 3 -19.256 -1.933 2.691 1.00 0.00 C ATOM 0 H MET A 3 -18.606 2.385 -0.596 1.00 0.00 H new ATOM 0 HA MET A 3 -16.540 1.782 0.201 1.00 0.00 H new ATOM 0 HB2 MET A 3 -17.403 -0.830 -1.127 1.00 0.00 H new ATOM 0 HB3 MET A 3 -15.988 -0.701 -0.100 1.00 0.00 H new ATOM 0 HG2 MET A 3 -17.439 0.185 1.762 1.00 0.00 H new ATOM 0 HG3 MET A 3 -18.848 0.011 0.735 1.00 0.00 H new ATOM 0 HE1 MET A 3 -19.494 -2.903 3.127 1.00 0.00 H new ATOM 0 HE2 MET A 3 -18.884 -1.267 3.470 1.00 0.00 H new ATOM 0 HE3 MET A 3 -20.154 -1.505 2.246 1.00 0.00 H new ATOM 38 N GLU A 4 -14.608 0.775 -1.550 1.00 0.00 N ATOM 39 CA GLU A 4 -13.523 0.882 -2.566 1.00 0.00 C ATOM 40 C GLU A 4 -13.458 2.318 -3.093 1.00 0.00 C ATOM 41 O GLU A 4 -14.083 2.655 -4.080 1.00 0.00 O ATOM 42 CB GLU A 4 -13.812 -0.074 -3.725 1.00 0.00 C ATOM 43 CG GLU A 4 -12.657 -0.030 -4.727 1.00 0.00 C ATOM 44 CD GLU A 4 -12.934 -1.005 -5.872 1.00 0.00 C ATOM 45 OE1 GLU A 4 -14.056 -1.475 -5.964 1.00 0.00 O ATOM 46 OE2 GLU A 4 -12.020 -1.263 -6.638 1.00 0.00 O ATOM 0 H GLU A 4 -14.372 0.233 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.569 0.619 -2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.942 -1.089 -3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.744 0.206 -4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.539 0.981 -5.117 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.722 -0.291 -4.231 1.00 0.00 H new ATOM 53 N ARG A 5 -12.707 3.165 -2.445 1.00 0.00 N ATOM 54 CA ARG A 5 -12.604 4.577 -2.910 1.00 0.00 C ATOM 55 C ARG A 5 -11.797 4.627 -4.209 1.00 0.00 C ATOM 56 O ARG A 5 -12.244 4.183 -5.248 1.00 0.00 O ATOM 57 CB ARG A 5 -11.903 5.416 -1.840 1.00 0.00 C ATOM 58 CG ARG A 5 -11.969 6.896 -2.227 1.00 0.00 C ATOM 59 CD ARG A 5 -13.413 7.387 -2.120 1.00 0.00 C ATOM 60 NE ARG A 5 -14.094 7.218 -3.433 1.00 0.00 N ATOM 61 CZ ARG A 5 -15.321 7.633 -3.591 1.00 0.00 C ATOM 62 NH1 ARG A 5 -15.952 8.195 -2.596 1.00 0.00 N ATOM 63 NH2 ARG A 5 -15.917 7.484 -4.742 1.00 0.00 N ATOM 0 H ARG A 5 -12.160 2.941 -1.614 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.603 4.976 -3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.379 5.261 -0.872 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.864 5.102 -1.739 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.325 7.483 -1.573 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.601 7.034 -3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.942 6.827 -1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.431 8.435 -1.821 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.601 6.777 -4.210 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.486 8.309 -1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -16.911 8.520 -2.719 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.424 7.043 -5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -16.876 7.808 -4.865 1.00 0.00 H new ATOM 77 N LYS A 6 -10.609 5.168 -4.160 1.00 0.00 N ATOM 78 CA LYS A 6 -9.771 5.235 -5.389 1.00 0.00 C ATOM 79 C LYS A 6 -8.512 4.389 -5.195 1.00 0.00 C ATOM 80 O LYS A 6 -7.632 4.733 -4.430 1.00 0.00 O ATOM 81 CB LYS A 6 -9.372 6.689 -5.653 1.00 0.00 C ATOM 82 CG LYS A 6 -8.624 7.243 -4.441 1.00 0.00 C ATOM 83 CD LYS A 6 -9.097 8.670 -4.156 1.00 0.00 C ATOM 84 CE LYS A 6 -8.671 9.588 -5.302 1.00 0.00 C ATOM 85 NZ LYS A 6 -9.195 10.963 -5.059 1.00 0.00 N ATOM 0 H LYS A 6 -10.184 5.566 -3.322 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.338 4.852 -6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.742 6.748 -6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.259 7.290 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.800 6.610 -3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.550 7.235 -4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.181 8.689 -4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.673 9.024 -3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.584 9.610 -5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.050 9.205 -6.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.905 11.588 -5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.233 10.934 -5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.812 11.327 -4.163 1.00 0.00 H new ATOM 99 N ARG A 7 -8.417 3.284 -5.882 1.00 0.00 N ATOM 100 CA ARG A 7 -7.220 2.410 -5.727 1.00 0.00 C ATOM 101 C ARG A 7 -6.524 2.253 -7.080 1.00 0.00 C ATOM 102 O ARG A 7 -7.156 2.005 -8.089 1.00 0.00 O ATOM 103 CB ARG A 7 -7.655 1.035 -5.215 1.00 0.00 C ATOM 104 CG ARG A 7 -8.582 0.378 -6.240 1.00 0.00 C ATOM 105 CD ARG A 7 -7.819 -0.711 -6.995 1.00 0.00 C ATOM 106 NE ARG A 7 -7.368 -1.758 -6.036 1.00 0.00 N ATOM 107 CZ ARG A 7 -8.202 -2.680 -5.637 1.00 0.00 C ATOM 108 NH1 ARG A 7 -9.430 -2.683 -6.078 1.00 0.00 N ATOM 109 NH2 ARG A 7 -7.807 -3.597 -4.798 1.00 0.00 N ATOM 0 H ARG A 7 -9.117 2.948 -6.544 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.530 2.862 -5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.781 0.406 -5.043 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.167 1.137 -4.258 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.449 -0.052 -5.739 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.956 1.126 -6.939 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.458 -1.154 -7.759 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.960 -0.279 -7.508 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.408 -1.755 -5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.738 -1.965 -6.734 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.082 -3.403 -5.767 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.847 -3.594 -4.454 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.458 -4.317 -4.486 1.00 0.00 H new ATOM 123 N TRP A 8 -5.227 2.397 -7.112 1.00 0.00 N ATOM 124 CA TRP A 8 -4.493 2.253 -8.400 1.00 0.00 C ATOM 125 C TRP A 8 -3.319 1.289 -8.214 1.00 0.00 C ATOM 126 O TRP A 8 -3.053 0.824 -7.124 1.00 0.00 O ATOM 127 CB TRP A 8 -3.967 3.620 -8.841 1.00 0.00 C ATOM 128 CG TRP A 8 -5.018 4.657 -8.613 1.00 0.00 C ATOM 129 CD1 TRP A 8 -6.306 4.558 -9.017 1.00 0.00 C ATOM 130 CD2 TRP A 8 -4.897 5.943 -7.939 1.00 0.00 C ATOM 131 NE1 TRP A 8 -6.983 5.701 -8.633 1.00 0.00 N ATOM 132 CE2 TRP A 8 -6.158 6.585 -7.966 1.00 0.00 C ATOM 133 CE3 TRP A 8 -3.827 6.609 -7.315 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -6.350 7.842 -7.393 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -4.017 7.874 -6.736 1.00 0.00 C ATOM 136 CH2 TRP A 8 -5.276 8.490 -6.775 1.00 0.00 C ATOM 0 H TRP A 8 -4.645 2.608 -6.302 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.167 1.860 -9.161 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.066 3.872 -8.282 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.691 3.592 -9.895 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -6.735 3.723 -9.552 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -7.971 5.870 -8.820 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.853 6.144 -7.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -7.322 8.312 -7.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.189 8.375 -6.258 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.416 9.463 -6.328 1.00 0.00 H new ATOM 147 N GLU A 9 -2.615 0.986 -9.269 1.00 0.00 N ATOM 148 CA GLU A 9 -1.458 0.054 -9.151 1.00 0.00 C ATOM 149 C GLU A 9 -0.281 0.784 -8.500 1.00 0.00 C ATOM 150 O GLU A 9 -0.057 1.954 -8.733 1.00 0.00 O ATOM 151 CB GLU A 9 -1.049 -0.431 -10.543 1.00 0.00 C ATOM 152 CG GLU A 9 -2.157 -1.314 -11.121 1.00 0.00 C ATOM 153 CD GLU A 9 -1.780 -1.745 -12.540 1.00 0.00 C ATOM 154 OE1 GLU A 9 -0.751 -1.297 -13.020 1.00 0.00 O ATOM 155 OE2 GLU A 9 -2.524 -2.517 -13.121 1.00 0.00 O ATOM 0 H GLU A 9 -2.791 1.343 -10.208 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.741 -0.801 -8.537 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.869 0.421 -11.198 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.116 -0.991 -10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.304 -2.191 -10.490 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.101 -0.769 -11.134 1.00 0.00 H new ATOM 162 N CYS A 10 0.472 0.100 -7.682 1.00 0.00 N ATOM 163 CA CYS A 10 1.638 0.752 -7.021 1.00 0.00 C ATOM 164 C CYS A 10 2.926 0.337 -7.735 1.00 0.00 C ATOM 165 O CYS A 10 3.369 -0.790 -7.632 1.00 0.00 O ATOM 166 CB CYS A 10 1.704 0.315 -5.556 1.00 0.00 C ATOM 167 SG CYS A 10 2.535 1.595 -4.583 1.00 0.00 S ATOM 0 H CYS A 10 0.330 -0.881 -7.443 1.00 0.00 H new ATOM 0 HA CYS A 10 1.526 1.835 -7.072 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.699 0.145 -5.170 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.242 -0.629 -5.471 1.00 0.00 H new ATOM 0 HG CYS A 10 2.590 1.226 -3.338 1.00 0.00 H new ATOM 173 N PRO A 11 3.521 1.248 -8.455 1.00 0.00 N ATOM 174 CA PRO A 11 4.773 0.985 -9.220 1.00 0.00 C ATOM 175 C PRO A 11 6.010 0.959 -8.316 1.00 0.00 C ATOM 176 O PRO A 11 7.065 0.499 -8.706 1.00 0.00 O ATOM 177 CB PRO A 11 4.854 2.155 -10.202 1.00 0.00 C ATOM 178 CG PRO A 11 4.096 3.267 -9.558 1.00 0.00 C ATOM 179 CD PRO A 11 3.059 2.636 -8.617 1.00 0.00 C ATOM 0 HA PRO A 11 4.752 0.010 -9.707 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.889 2.441 -10.387 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.419 1.890 -11.166 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.770 3.919 -9.003 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.605 3.883 -10.312 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.019 3.157 -7.661 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.057 2.676 -9.044 1.00 0.00 H new ATOM 187 N ALA A 12 5.888 1.448 -7.113 1.00 0.00 N ATOM 188 CA ALA A 12 7.057 1.456 -6.189 1.00 0.00 C ATOM 189 C ALA A 12 7.355 0.026 -5.734 1.00 0.00 C ATOM 190 O ALA A 12 8.497 -0.377 -5.630 1.00 0.00 O ATOM 191 CB ALA A 12 6.738 2.325 -4.971 1.00 0.00 C ATOM 0 H ALA A 12 5.029 1.843 -6.730 1.00 0.00 H new ATOM 0 HA ALA A 12 7.927 1.862 -6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.593 2.331 -4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.525 3.343 -5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.868 1.920 -4.453 1.00 0.00 H new ATOM 197 N LEU A 13 6.338 -0.744 -5.459 1.00 0.00 N ATOM 198 CA LEU A 13 6.565 -2.146 -5.010 1.00 0.00 C ATOM 199 C LEU A 13 6.455 -3.089 -6.210 1.00 0.00 C ATOM 200 O LEU A 13 6.222 -2.664 -7.324 1.00 0.00 O ATOM 201 CB LEU A 13 5.513 -2.525 -3.966 1.00 0.00 C ATOM 202 CG LEU A 13 4.912 -1.255 -3.362 1.00 0.00 C ATOM 203 CD1 LEU A 13 3.835 -1.633 -2.344 1.00 0.00 C ATOM 204 CD2 LEU A 13 6.014 -0.455 -2.664 1.00 0.00 C ATOM 0 H LEU A 13 5.360 -0.463 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 13 7.559 -2.230 -4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.730 -3.127 -4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.965 -3.134 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 13 4.467 -0.651 -4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.407 -0.727 -1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.051 -2.205 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.279 -2.236 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.588 0.451 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.457 -1.060 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.782 -0.185 -3.389 1.00 0.00 H new ATOM 216 N PRO A 14 6.622 -4.363 -5.978 1.00 0.00 N ATOM 217 CA PRO A 14 6.554 -5.394 -7.051 1.00 0.00 C ATOM 218 C PRO A 14 5.191 -5.417 -7.747 1.00 0.00 C ATOM 219 O PRO A 14 4.167 -5.179 -7.138 1.00 0.00 O ATOM 220 CB PRO A 14 6.794 -6.711 -6.307 1.00 0.00 C ATOM 221 CG PRO A 14 7.461 -6.329 -5.027 1.00 0.00 C ATOM 222 CD PRO A 14 6.893 -4.956 -4.659 1.00 0.00 C ATOM 0 HA PRO A 14 7.279 -5.202 -7.842 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.856 -7.233 -6.120 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.422 -7.383 -6.892 1.00 0.00 H new ATOM 0 HG2 PRO A 14 7.256 -7.060 -4.245 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.544 -6.286 -5.147 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.988 -5.039 -4.057 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.605 -4.362 -4.085 1.00 0.00 H new ATOM 230 N GLN A 15 5.169 -5.702 -9.021 1.00 0.00 N ATOM 231 CA GLN A 15 3.873 -5.736 -9.755 1.00 0.00 C ATOM 232 C GLN A 15 2.886 -6.634 -9.008 1.00 0.00 C ATOM 233 O GLN A 15 3.190 -7.762 -8.672 1.00 0.00 O ATOM 234 CB GLN A 15 4.099 -6.289 -11.164 1.00 0.00 C ATOM 235 CG GLN A 15 4.992 -5.328 -11.953 1.00 0.00 C ATOM 236 CD GLN A 15 4.285 -3.980 -12.101 1.00 0.00 C ATOM 237 OE1 GLN A 15 4.539 -3.061 -11.346 1.00 0.00 O ATOM 238 NE2 GLN A 15 3.402 -3.820 -13.048 1.00 0.00 N ATOM 0 H GLN A 15 5.993 -5.913 -9.585 1.00 0.00 H new ATOM 0 HA GLN A 15 3.467 -4.727 -9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.565 -7.273 -11.110 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.144 -6.416 -11.674 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.945 -5.197 -11.440 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.213 -5.744 -12.936 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.188 -4.590 -13.682 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.925 -2.925 -13.155 1.00 0.00 H new ATOM 247 N GLY A 16 1.706 -6.145 -8.744 1.00 0.00 N ATOM 248 CA GLY A 16 0.701 -6.971 -8.017 1.00 0.00 C ATOM 249 C GLY A 16 0.235 -6.228 -6.764 1.00 0.00 C ATOM 250 O GLY A 16 -0.845 -6.462 -6.259 1.00 0.00 O ATOM 0 H GLY A 16 1.394 -5.208 -9.000 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.150 -7.180 -8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.136 -7.932 -7.742 1.00 0.00 H new ATOM 254 N TRP A 17 1.039 -5.335 -6.259 1.00 0.00 N ATOM 255 CA TRP A 17 0.635 -4.567 -5.048 1.00 0.00 C ATOM 256 C TRP A 17 -0.223 -3.371 -5.465 1.00 0.00 C ATOM 257 O TRP A 17 -0.020 -2.783 -6.508 1.00 0.00 O ATOM 258 CB TRP A 17 1.884 -4.069 -4.319 1.00 0.00 C ATOM 259 CG TRP A 17 2.601 -5.232 -3.710 1.00 0.00 C ATOM 260 CD1 TRP A 17 3.158 -6.251 -4.403 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.847 -5.513 -2.301 1.00 0.00 C ATOM 262 NE1 TRP A 17 3.730 -7.139 -3.511 1.00 0.00 N ATOM 263 CE2 TRP A 17 3.564 -6.728 -2.203 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.520 -4.838 -1.111 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.945 -7.256 -0.969 1.00 0.00 C ATOM 266 CZ3 TRP A 17 2.901 -5.366 0.133 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.612 -6.572 0.204 1.00 0.00 C ATOM 0 H TRP A 17 1.959 -5.103 -6.633 1.00 0.00 H new ATOM 0 HA TRP A 17 0.060 -5.213 -4.384 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.541 -3.547 -5.015 1.00 0.00 H new ATOM 0 HB3 TRP A 17 1.606 -3.353 -3.545 1.00 0.00 H new ATOM 0 HD1 TRP A 17 3.156 -6.354 -5.478 1.00 0.00 H new ATOM 0 HE1 TRP A 17 4.215 -7.993 -3.785 1.00 0.00 H new ATOM 0 HE3 TRP A 17 1.973 -3.908 -1.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.493 -8.186 -0.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.645 -4.840 1.041 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.902 -6.972 1.164 1.00 0.00 H new ATOM 278 N GLU A 18 -1.181 -3.005 -4.657 1.00 0.00 N ATOM 279 CA GLU A 18 -2.058 -1.855 -5.014 1.00 0.00 C ATOM 280 C GLU A 18 -2.304 -0.995 -3.773 1.00 0.00 C ATOM 281 O GLU A 18 -2.227 -1.466 -2.655 1.00 0.00 O ATOM 282 CB GLU A 18 -3.394 -2.379 -5.545 1.00 0.00 C ATOM 283 CG GLU A 18 -3.154 -3.203 -6.811 1.00 0.00 C ATOM 284 CD GLU A 18 -4.490 -3.737 -7.335 1.00 0.00 C ATOM 285 OE1 GLU A 18 -5.507 -3.413 -6.742 1.00 0.00 O ATOM 286 OE2 GLU A 18 -4.473 -4.459 -8.318 1.00 0.00 O ATOM 0 H GLU A 18 -1.394 -3.453 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.572 -1.253 -5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.883 -2.991 -4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.063 -1.546 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.673 -2.588 -7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.479 -4.031 -6.596 1.00 0.00 H new ATOM 293 N ARG A 19 -2.600 0.262 -3.960 1.00 0.00 N ATOM 294 CA ARG A 19 -2.867 1.147 -2.792 1.00 0.00 C ATOM 295 C ARG A 19 -4.219 1.839 -2.975 1.00 0.00 C ATOM 296 O ARG A 19 -4.752 1.900 -4.067 1.00 0.00 O ATOM 297 CB ARG A 19 -1.764 2.201 -2.685 1.00 0.00 C ATOM 298 CG ARG A 19 -1.992 3.286 -3.739 1.00 0.00 C ATOM 299 CD ARG A 19 -1.963 2.660 -5.133 1.00 0.00 C ATOM 300 NE ARG A 19 -1.639 3.708 -6.142 1.00 0.00 N ATOM 301 CZ ARG A 19 -0.408 4.119 -6.282 1.00 0.00 C ATOM 302 NH1 ARG A 19 0.539 3.611 -5.542 1.00 0.00 N ATOM 303 NH2 ARG A 19 -0.123 5.038 -7.165 1.00 0.00 N ATOM 0 H ARG A 19 -2.668 0.714 -4.872 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.885 0.549 -1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.763 2.642 -1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.788 1.738 -2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.951 3.776 -3.569 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.222 4.054 -3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.221 1.863 -5.170 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.928 2.207 -5.360 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.378 4.104 -6.723 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.318 2.892 -4.853 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.501 3.933 -5.652 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.862 5.435 -7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.839 5.359 -7.274 1.00 0.00 H new ATOM 317 N GLU A 20 -4.779 2.362 -1.919 1.00 0.00 N ATOM 318 CA GLU A 20 -6.106 3.029 -2.033 1.00 0.00 C ATOM 319 C GLU A 20 -6.147 4.245 -1.106 1.00 0.00 C ATOM 320 O GLU A 20 -5.585 4.236 -0.028 1.00 0.00 O ATOM 321 CB GLU A 20 -7.209 2.047 -1.634 1.00 0.00 C ATOM 322 CG GLU A 20 -8.574 2.710 -1.812 1.00 0.00 C ATOM 323 CD GLU A 20 -9.678 1.716 -1.444 1.00 0.00 C ATOM 324 OE1 GLU A 20 -9.389 0.532 -1.401 1.00 0.00 O ATOM 325 OE2 GLU A 20 -10.791 2.157 -1.210 1.00 0.00 O ATOM 0 H GLU A 20 -4.375 2.356 -0.982 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.262 3.351 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.148 1.147 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.076 1.737 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.644 3.597 -1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.697 3.041 -2.843 1.00 0.00 H new ATOM 332 N GLU A 21 -6.809 5.294 -1.515 1.00 0.00 N ATOM 333 CA GLU A 21 -6.896 6.505 -0.653 1.00 0.00 C ATOM 334 C GLU A 21 -8.342 6.698 -0.193 1.00 0.00 C ATOM 335 O GLU A 21 -9.267 6.631 -0.977 1.00 0.00 O ATOM 336 CB GLU A 21 -6.445 7.731 -1.450 1.00 0.00 C ATOM 337 CG GLU A 21 -4.947 7.629 -1.743 1.00 0.00 C ATOM 338 CD GLU A 21 -4.515 8.808 -2.615 1.00 0.00 C ATOM 339 OE1 GLU A 21 -5.355 9.644 -2.905 1.00 0.00 O ATOM 340 OE2 GLU A 21 -3.352 8.856 -2.979 1.00 0.00 O ATOM 0 H GLU A 21 -7.293 5.363 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.251 6.381 0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.005 7.797 -2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.655 8.641 -0.887 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.383 7.627 -0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.728 6.689 -2.250 1.00 0.00 H new ATOM 347 N VAL A 22 -8.545 6.938 1.074 1.00 0.00 N ATOM 348 CA VAL A 22 -9.933 7.135 1.581 1.00 0.00 C ATOM 349 C VAL A 22 -10.011 8.444 2.368 1.00 0.00 C ATOM 350 O VAL A 22 -9.484 8.556 3.457 1.00 0.00 O ATOM 351 CB VAL A 22 -10.311 5.968 2.496 1.00 0.00 C ATOM 352 CG1 VAL A 22 -11.834 5.880 2.605 1.00 0.00 C ATOM 353 CG2 VAL A 22 -9.767 4.664 1.910 1.00 0.00 C ATOM 0 H VAL A 22 -7.811 7.006 1.779 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.623 7.177 0.739 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.883 6.128 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.105 5.049 3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.223 6.809 3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.261 5.719 1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.036 3.832 2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.195 4.503 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.682 4.726 1.830 1.00 0.00 H new ATOM 363 N PRO A 23 -10.669 9.426 1.814 1.00 0.00 N ATOM 364 CA PRO A 23 -10.802 10.768 2.448 1.00 0.00 C ATOM 365 C PRO A 23 -11.791 10.758 3.618 1.00 0.00 C ATOM 366 O PRO A 23 -12.803 10.088 3.582 1.00 0.00 O ATOM 367 CB PRO A 23 -11.326 11.652 1.316 1.00 0.00 C ATOM 368 CG PRO A 23 -12.047 10.727 0.392 1.00 0.00 C ATOM 369 CD PRO A 23 -11.357 9.361 0.516 1.00 0.00 C ATOM 0 HA PRO A 23 -9.858 11.113 2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.993 12.425 1.698 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.509 12.161 0.804 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.101 10.655 0.660 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.003 11.092 -0.634 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.079 8.545 0.488 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.654 9.193 -0.300 1.00 0.00 H new ATOM 377 N ARG A 24 -11.505 11.496 4.657 1.00 0.00 N ATOM 378 CA ARG A 24 -12.439 11.543 5.816 1.00 0.00 C ATOM 379 C ARG A 24 -13.323 12.788 5.708 1.00 0.00 C ATOM 380 O ARG A 24 -13.119 13.635 4.861 1.00 0.00 O ATOM 381 CB ARG A 24 -11.635 11.601 7.117 1.00 0.00 C ATOM 382 CG ARG A 24 -10.857 10.295 7.292 1.00 0.00 C ATOM 383 CD ARG A 24 -10.005 10.375 8.562 1.00 0.00 C ATOM 384 NE ARG A 24 -10.894 10.486 9.751 1.00 0.00 N ATOM 385 CZ ARG A 24 -11.359 9.410 10.322 1.00 0.00 C ATOM 386 NH1 ARG A 24 -11.043 8.234 9.854 1.00 0.00 N ATOM 387 NH2 ARG A 24 -12.138 9.508 11.364 1.00 0.00 N ATOM 0 H ARG A 24 -10.665 12.067 4.752 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.065 10.651 5.815 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.948 12.447 7.095 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.303 11.755 7.964 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.547 9.454 7.357 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.221 10.119 6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.376 9.489 8.647 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.338 11.236 8.512 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.140 11.405 10.119 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.432 8.156 9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.407 7.393 10.301 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.384 10.427 11.732 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.501 8.666 11.810 1.00 0.00 H new ATOM 401 N ARG A 25 -14.305 12.905 6.560 1.00 0.00 N ATOM 402 CA ARG A 25 -15.208 14.088 6.497 1.00 0.00 C ATOM 403 C ARG A 25 -16.178 14.053 7.680 1.00 0.00 C ATOM 404 O ARG A 25 -17.377 13.955 7.510 1.00 0.00 O ATOM 405 CB ARG A 25 -16.001 14.057 5.189 1.00 0.00 C ATOM 406 CG ARG A 25 -16.788 15.361 5.037 1.00 0.00 C ATOM 407 CD ARG A 25 -17.455 15.396 3.660 1.00 0.00 C ATOM 408 NE ARG A 25 -18.452 14.294 3.561 1.00 0.00 N ATOM 409 CZ ARG A 25 -18.990 14.001 2.409 1.00 0.00 C ATOM 410 NH1 ARG A 25 -18.652 14.673 1.342 1.00 0.00 N ATOM 411 NH2 ARG A 25 -19.863 13.036 2.323 1.00 0.00 N ATOM 0 H ARG A 25 -14.520 12.233 7.296 1.00 0.00 H new ATOM 0 HA ARG A 25 -14.613 15.000 6.540 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -15.324 13.928 4.344 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -16.682 13.206 5.185 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -17.542 15.437 5.820 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -16.122 16.216 5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.944 16.358 3.506 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -16.703 15.292 2.878 1.00 0.00 H new ATOM 0 HE ARG A 25 -18.714 13.768 4.395 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -17.968 15.426 1.409 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -19.072 14.445 0.441 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -20.125 12.510 3.157 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -20.283 12.807 1.422 1.00 0.00 H new ATOM 425 N SER A 26 -15.669 14.132 8.880 1.00 0.00 N ATOM 426 CA SER A 26 -16.563 14.120 10.070 1.00 0.00 C ATOM 427 C SER A 26 -15.726 13.930 11.336 1.00 0.00 C ATOM 428 O SER A 26 -15.649 12.848 11.885 1.00 0.00 O ATOM 429 CB SER A 26 -17.564 12.970 9.945 1.00 0.00 C ATOM 430 OG SER A 26 -18.734 13.437 9.285 1.00 0.00 O ATOM 0 H SER A 26 -14.673 14.204 9.086 1.00 0.00 H new ATOM 0 HA SER A 26 -17.101 15.066 10.128 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.121 12.146 9.386 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.818 12.585 10.932 1.00 0.00 H new ATOM 0 HG SER A 26 -18.563 13.500 8.322 1.00 0.00 H new ATOM 436 N GLY A 27 -15.097 14.972 11.805 1.00 0.00 N ATOM 437 CA GLY A 27 -14.268 14.852 13.038 1.00 0.00 C ATOM 438 C GLY A 27 -13.028 15.738 12.910 1.00 0.00 C ATOM 439 O GLY A 27 -12.822 16.392 11.906 1.00 0.00 O ATOM 0 H GLY A 27 -15.121 15.902 11.388 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.851 15.148 13.910 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.972 13.814 13.190 1.00 0.00 H new ATOM 443 N LEU A 28 -12.202 15.767 13.919 1.00 0.00 N ATOM 444 CA LEU A 28 -10.976 16.611 13.855 1.00 0.00 C ATOM 445 C LEU A 28 -10.100 16.149 12.688 1.00 0.00 C ATOM 446 O LEU A 28 -9.526 16.948 11.975 1.00 0.00 O ATOM 447 CB LEU A 28 -10.194 16.476 15.163 1.00 0.00 C ATOM 448 CG LEU A 28 -10.807 17.396 16.221 1.00 0.00 C ATOM 449 CD1 LEU A 28 -10.518 18.855 15.860 1.00 0.00 C ATOM 450 CD2 LEU A 28 -12.320 17.174 16.271 1.00 0.00 C ATOM 0 H LEU A 28 -12.323 15.243 14.785 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.260 17.653 13.707 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.217 15.442 15.508 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.148 16.736 15.002 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.372 17.171 17.195 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.955 19.510 16.614 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.440 19.014 15.822 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.953 19.082 14.887 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.759 17.828 17.024 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.753 17.400 15.297 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.527 16.135 16.528 1.00 0.00 H new ATOM 462 N SER A 29 -9.993 14.863 12.488 1.00 0.00 N ATOM 463 CA SER A 29 -9.158 14.350 11.365 1.00 0.00 C ATOM 464 C SER A 29 -9.844 14.667 10.035 1.00 0.00 C ATOM 465 O SER A 29 -9.696 13.951 9.064 1.00 0.00 O ATOM 466 CB SER A 29 -8.988 12.838 11.505 1.00 0.00 C ATOM 467 OG SER A 29 -10.267 12.218 11.482 1.00 0.00 O ATOM 0 H SER A 29 -10.448 14.146 13.054 1.00 0.00 H new ATOM 0 HA SER A 29 -8.179 14.828 11.392 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.370 12.453 10.694 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.474 12.603 12.437 1.00 0.00 H new ATOM 0 HG SER A 29 -10.242 11.397 12.017 1.00 0.00 H new ATOM 473 N ALA A 30 -10.594 15.733 9.982 1.00 0.00 N ATOM 474 CA ALA A 30 -11.283 16.097 8.711 1.00 0.00 C ATOM 475 C ALA A 30 -10.241 16.476 7.657 1.00 0.00 C ATOM 476 O ALA A 30 -9.203 17.027 7.966 1.00 0.00 O ATOM 477 CB ALA A 30 -12.214 17.286 8.959 1.00 0.00 C ATOM 0 H ALA A 30 -10.760 16.368 10.763 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.866 15.247 8.356 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.718 17.553 8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.956 17.016 9.710 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.632 18.137 9.313 1.00 0.00 H new ATOM 483 N GLY A 31 -10.510 16.185 6.413 1.00 0.00 N ATOM 484 CA GLY A 31 -9.534 16.532 5.341 1.00 0.00 C ATOM 485 C GLY A 31 -8.406 15.500 5.322 1.00 0.00 C ATOM 486 O GLY A 31 -7.646 15.415 4.378 1.00 0.00 O ATOM 0 H GLY A 31 -11.361 15.723 6.093 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.035 16.556 4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.127 17.528 5.514 1.00 0.00 H new ATOM 490 N HIS A 32 -8.291 14.712 6.356 1.00 0.00 N ATOM 491 CA HIS A 32 -7.217 13.681 6.393 1.00 0.00 C ATOM 492 C HIS A 32 -7.708 12.411 5.694 1.00 0.00 C ATOM 493 O HIS A 32 -8.787 11.921 5.962 1.00 0.00 O ATOM 494 CB HIS A 32 -6.867 13.359 7.847 1.00 0.00 C ATOM 495 CG HIS A 32 -6.306 14.587 8.510 1.00 0.00 C ATOM 496 ND1 HIS A 32 -7.122 15.585 9.027 1.00 0.00 N ATOM 497 CD2 HIS A 32 -5.017 14.993 8.750 1.00 0.00 C ATOM 498 CE1 HIS A 32 -6.321 16.535 9.547 1.00 0.00 C ATOM 499 NE2 HIS A 32 -5.032 16.221 9.402 1.00 0.00 N ATOM 0 H HIS A 32 -8.895 14.738 7.177 1.00 0.00 H new ATOM 0 HA HIS A 32 -6.332 14.060 5.882 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.755 13.018 8.379 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.141 12.547 7.886 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -4.129 14.444 8.475 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.677 17.437 10.022 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -4.226 16.768 9.706 1.00 0.00 H new ATOM 508 N ARG A 33 -6.926 11.875 4.797 1.00 0.00 N ATOM 509 CA ARG A 33 -7.350 10.642 4.078 1.00 0.00 C ATOM 510 C ARG A 33 -6.456 9.473 4.495 1.00 0.00 C ATOM 511 O ARG A 33 -5.246 9.586 4.528 1.00 0.00 O ATOM 512 CB ARG A 33 -7.229 10.864 2.569 1.00 0.00 C ATOM 513 CG ARG A 33 -5.751 10.927 2.179 1.00 0.00 C ATOM 514 CD ARG A 33 -5.626 11.347 0.714 1.00 0.00 C ATOM 515 NE ARG A 33 -4.197 11.292 0.301 1.00 0.00 N ATOM 516 CZ ARG A 33 -3.422 12.325 0.489 1.00 0.00 C ATOM 517 NH1 ARG A 33 -3.902 13.407 1.037 1.00 0.00 N ATOM 518 NH2 ARG A 33 -2.169 12.277 0.127 1.00 0.00 N ATOM 0 H ARG A 33 -6.011 12.239 4.531 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.386 10.414 4.330 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.724 10.055 2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.731 11.789 2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.226 11.637 2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.282 9.955 2.331 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.223 10.688 0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.016 12.356 0.580 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.823 10.446 -0.129 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.882 13.445 1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.298 14.215 1.185 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.795 11.431 -0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.564 13.085 0.274 1.00 0.00 H new ATOM 532 N ASP A 34 -7.040 8.351 4.813 1.00 0.00 N ATOM 533 CA ASP A 34 -6.222 7.172 5.212 1.00 0.00 C ATOM 534 C ASP A 34 -5.835 6.374 3.965 1.00 0.00 C ATOM 535 O ASP A 34 -6.609 6.237 3.040 1.00 0.00 O ATOM 536 CB ASP A 34 -7.035 6.282 6.155 1.00 0.00 C ATOM 537 CG ASP A 34 -7.224 6.995 7.495 1.00 0.00 C ATOM 538 OD1 ASP A 34 -6.475 7.920 7.762 1.00 0.00 O ATOM 539 OD2 ASP A 34 -8.115 6.604 8.231 1.00 0.00 O ATOM 0 H ASP A 34 -8.049 8.200 4.814 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.320 7.512 5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.005 6.055 5.712 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.523 5.331 6.306 1.00 0.00 H new ATOM 544 N VAL A 35 -4.641 5.848 3.934 1.00 0.00 N ATOM 545 CA VAL A 35 -4.206 5.058 2.748 1.00 0.00 C ATOM 546 C VAL A 35 -4.036 3.592 3.146 1.00 0.00 C ATOM 547 O VAL A 35 -3.324 3.269 4.076 1.00 0.00 O ATOM 548 CB VAL A 35 -2.874 5.605 2.232 1.00 0.00 C ATOM 549 CG1 VAL A 35 -2.447 4.823 0.990 1.00 0.00 C ATOM 550 CG2 VAL A 35 -3.035 7.084 1.874 1.00 0.00 C ATOM 0 H VAL A 35 -3.949 5.931 4.678 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.959 5.136 1.964 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.114 5.499 3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.498 5.213 0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.332 3.770 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.206 4.928 0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.086 7.475 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.796 7.190 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.338 7.642 2.760 1.00 0.00 H new ATOM 560 N PHE A 36 -4.685 2.700 2.449 1.00 0.00 N ATOM 561 CA PHE A 36 -4.545 1.253 2.775 1.00 0.00 C ATOM 562 C PHE A 36 -3.826 0.538 1.629 1.00 0.00 C ATOM 563 O PHE A 36 -4.006 0.862 0.472 1.00 0.00 O ATOM 564 CB PHE A 36 -5.931 0.636 2.972 1.00 0.00 C ATOM 565 CG PHE A 36 -6.535 1.157 4.254 1.00 0.00 C ATOM 566 CD1 PHE A 36 -7.253 2.360 4.251 1.00 0.00 C ATOM 567 CD2 PHE A 36 -6.380 0.436 5.444 1.00 0.00 C ATOM 568 CE1 PHE A 36 -7.814 2.842 5.439 1.00 0.00 C ATOM 569 CE2 PHE A 36 -6.942 0.919 6.633 1.00 0.00 C ATOM 570 CZ PHE A 36 -7.659 2.121 6.629 1.00 0.00 C ATOM 0 H PHE A 36 -5.306 2.911 1.668 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.966 1.143 3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.574 0.883 2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.855 -0.451 3.008 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.373 2.915 3.332 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.828 -0.492 5.445 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.366 3.770 5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.822 0.364 7.552 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.093 2.493 7.545 1.00 0.00 H new ATOM 580 N TYR A 37 -3.011 -0.432 1.941 1.00 0.00 N ATOM 581 CA TYR A 37 -2.278 -1.163 0.868 1.00 0.00 C ATOM 582 C TYR A 37 -2.786 -2.605 0.795 1.00 0.00 C ATOM 583 O TYR A 37 -3.185 -3.183 1.786 1.00 0.00 O ATOM 584 CB TYR A 37 -0.781 -1.164 1.184 1.00 0.00 C ATOM 585 CG TYR A 37 -0.199 0.192 0.870 1.00 0.00 C ATOM 586 CD1 TYR A 37 -0.367 1.252 1.770 1.00 0.00 C ATOM 587 CD2 TYR A 37 0.507 0.392 -0.322 1.00 0.00 C ATOM 588 CE1 TYR A 37 0.172 2.510 1.479 1.00 0.00 C ATOM 589 CE2 TYR A 37 1.047 1.651 -0.614 1.00 0.00 C ATOM 590 CZ TYR A 37 0.880 2.710 0.286 1.00 0.00 C ATOM 591 OH TYR A 37 1.412 3.951 0.000 1.00 0.00 O ATOM 0 H TYR A 37 -2.821 -0.750 2.891 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.447 -0.670 -0.089 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.621 -1.406 2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.276 -1.933 0.599 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.913 1.098 2.689 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.635 -0.425 -1.017 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.043 3.327 2.174 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.592 1.805 -1.534 1.00 0.00 H new ATOM 0 HH TYR A 37 1.662 4.400 0.834 1.00 0.00 H new ATOM 601 N TYR A 38 -2.776 -3.188 -0.372 1.00 0.00 N ATOM 602 CA TYR A 38 -3.259 -4.590 -0.509 1.00 0.00 C ATOM 603 C TYR A 38 -2.200 -5.430 -1.223 1.00 0.00 C ATOM 604 O TYR A 38 -1.564 -4.982 -2.156 1.00 0.00 O ATOM 605 CB TYR A 38 -4.556 -4.605 -1.320 1.00 0.00 C ATOM 606 CG TYR A 38 -5.456 -3.488 -0.852 1.00 0.00 C ATOM 607 CD1 TYR A 38 -5.153 -2.160 -1.178 1.00 0.00 C ATOM 608 CD2 TYR A 38 -6.594 -3.778 -0.089 1.00 0.00 C ATOM 609 CE1 TYR A 38 -5.988 -1.123 -0.743 1.00 0.00 C ATOM 610 CE2 TYR A 38 -7.429 -2.742 0.347 1.00 0.00 C ATOM 611 CZ TYR A 38 -7.124 -1.415 0.020 1.00 0.00 C ATOM 612 OH TYR A 38 -7.948 -0.394 0.449 1.00 0.00 O ATOM 0 H TYR A 38 -2.454 -2.753 -1.237 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.444 -5.008 0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.335 -4.488 -2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.059 -5.565 -1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.275 -1.935 -1.765 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.828 -4.802 0.163 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.755 -0.099 -0.996 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.307 -2.966 0.935 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.485 -0.069 -0.304 1.00 0.00 H new ATOM 622 N SER A 39 -2.004 -6.646 -0.793 1.00 0.00 N ATOM 623 CA SER A 39 -0.988 -7.516 -1.452 1.00 0.00 C ATOM 624 C SER A 39 -1.676 -8.411 -2.485 1.00 0.00 C ATOM 625 O SER A 39 -2.883 -8.395 -2.628 1.00 0.00 O ATOM 626 CB SER A 39 -0.302 -8.386 -0.399 1.00 0.00 C ATOM 627 OG SER A 39 -0.712 -9.737 -0.567 1.00 0.00 O ATOM 0 H SER A 39 -2.503 -7.075 -0.014 1.00 0.00 H new ATOM 0 HA SER A 39 -0.244 -6.894 -1.949 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.781 -8.308 -0.495 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.559 -8.037 0.601 1.00 0.00 H new ATOM 0 HG SER A 39 -0.273 -10.298 0.106 1.00 0.00 H new ATOM 633 N PRO A 40 -0.906 -9.187 -3.198 1.00 0.00 N ATOM 634 CA PRO A 40 -1.436 -10.119 -4.235 1.00 0.00 C ATOM 635 C PRO A 40 -2.511 -11.057 -3.677 1.00 0.00 C ATOM 636 O PRO A 40 -3.407 -11.477 -4.379 1.00 0.00 O ATOM 637 CB PRO A 40 -0.206 -10.917 -4.672 1.00 0.00 C ATOM 638 CG PRO A 40 0.967 -10.054 -4.341 1.00 0.00 C ATOM 639 CD PRO A 40 0.558 -9.257 -3.092 1.00 0.00 C ATOM 0 HA PRO A 40 -1.919 -9.582 -5.051 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.151 -11.872 -4.149 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.241 -11.140 -5.738 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.854 -10.657 -4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.209 -9.388 -5.169 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.871 -9.757 -2.176 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.008 -8.264 -3.083 1.00 0.00 H new ATOM 647 N SER A 41 -2.426 -11.388 -2.417 1.00 0.00 N ATOM 648 CA SER A 41 -3.441 -12.299 -1.816 1.00 0.00 C ATOM 649 C SER A 41 -4.624 -11.476 -1.301 1.00 0.00 C ATOM 650 O SER A 41 -5.604 -12.013 -0.823 1.00 0.00 O ATOM 651 CB SER A 41 -2.811 -13.067 -0.655 1.00 0.00 C ATOM 652 OG SER A 41 -3.687 -14.113 -0.254 1.00 0.00 O ATOM 0 H SER A 41 -1.698 -11.067 -1.779 1.00 0.00 H new ATOM 0 HA SER A 41 -3.790 -13.003 -2.571 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.848 -13.479 -0.956 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.622 -12.394 0.182 1.00 0.00 H new ATOM 0 HG SER A 41 -4.612 -13.788 -0.266 1.00 0.00 H new ATOM 658 N GLY A 42 -4.542 -10.177 -1.396 1.00 0.00 N ATOM 659 CA GLY A 42 -5.659 -9.322 -0.905 1.00 0.00 C ATOM 660 C GLY A 42 -5.458 -9.021 0.582 1.00 0.00 C ATOM 661 O GLY A 42 -6.389 -8.698 1.291 1.00 0.00 O ATOM 0 H GLY A 42 -3.750 -9.671 -1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.696 -8.392 -1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.612 -9.828 -1.059 1.00 0.00 H new ATOM 665 N LYS A 43 -4.249 -9.127 1.058 1.00 0.00 N ATOM 666 CA LYS A 43 -3.990 -8.854 2.501 1.00 0.00 C ATOM 667 C LYS A 43 -4.065 -7.347 2.756 1.00 0.00 C ATOM 668 O LYS A 43 -3.367 -6.568 2.137 1.00 0.00 O ATOM 669 CB LYS A 43 -2.598 -9.367 2.877 1.00 0.00 C ATOM 670 CG LYS A 43 -2.325 -9.071 4.352 1.00 0.00 C ATOM 671 CD LYS A 43 -0.913 -9.536 4.714 1.00 0.00 C ATOM 672 CE LYS A 43 -0.508 -8.935 6.061 1.00 0.00 C ATOM 673 NZ LYS A 43 -1.373 -9.499 7.136 1.00 0.00 N ATOM 0 H LYS A 43 -3.429 -9.391 0.512 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.740 -9.363 3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.532 -10.439 2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.842 -8.889 2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.428 -8.003 4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.058 -9.580 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.879 -10.624 4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.208 -9.230 3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.539 -9.154 6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.607 -7.850 6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.034 -9.170 8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.354 -9.183 6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.336 -10.538 7.102 1.00 0.00 H new ATOM 687 N LYS A 44 -4.906 -6.930 3.662 1.00 0.00 N ATOM 688 CA LYS A 44 -5.013 -5.475 3.965 1.00 0.00 C ATOM 689 C LYS A 44 -4.043 -5.117 5.092 1.00 0.00 C ATOM 690 O LYS A 44 -4.112 -5.656 6.179 1.00 0.00 O ATOM 691 CB LYS A 44 -6.444 -5.148 4.400 1.00 0.00 C ATOM 692 CG LYS A 44 -7.402 -5.399 3.235 1.00 0.00 C ATOM 693 CD LYS A 44 -8.831 -5.063 3.667 1.00 0.00 C ATOM 694 CE LYS A 44 -9.791 -5.333 2.507 1.00 0.00 C ATOM 695 NZ LYS A 44 -11.183 -5.002 2.928 1.00 0.00 N ATOM 0 H LYS A 44 -5.523 -7.533 4.205 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.764 -4.899 3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.725 -5.763 5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.509 -4.108 4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.117 -4.789 2.378 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.342 -6.440 2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.111 -5.663 4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.895 -4.018 3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.509 -4.734 1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.729 -6.379 2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.837 -5.185 2.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.449 -5.591 3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.235 -3.998 3.195 1.00 0.00 H new ATOM 709 N PHE A 45 -3.140 -4.208 4.844 1.00 0.00 N ATOM 710 CA PHE A 45 -2.169 -3.811 5.902 1.00 0.00 C ATOM 711 C PHE A 45 -1.934 -2.302 5.839 1.00 0.00 C ATOM 712 O PHE A 45 -1.986 -1.699 4.784 1.00 0.00 O ATOM 713 CB PHE A 45 -0.845 -4.545 5.680 1.00 0.00 C ATOM 714 CG PHE A 45 -0.467 -4.474 4.219 1.00 0.00 C ATOM 715 CD1 PHE A 45 -1.046 -5.361 3.303 1.00 0.00 C ATOM 716 CD2 PHE A 45 0.459 -3.520 3.781 1.00 0.00 C ATOM 717 CE1 PHE A 45 -0.697 -5.295 1.950 1.00 0.00 C ATOM 718 CE2 PHE A 45 0.808 -3.454 2.427 1.00 0.00 C ATOM 719 CZ PHE A 45 0.230 -4.342 1.511 1.00 0.00 C ATOM 0 H PHE A 45 -3.033 -3.723 3.953 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.570 -4.074 6.881 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.062 -4.097 6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.937 -5.585 5.992 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.762 -6.096 3.641 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.904 -2.835 4.488 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.143 -5.980 1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.523 -2.718 2.089 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.499 -4.292 0.466 1.00 0.00 H new ATOM 729 N ARG A 46 -1.676 -1.684 6.959 1.00 0.00 N ATOM 730 CA ARG A 46 -1.419 -0.216 6.958 1.00 0.00 C ATOM 731 C ARG A 46 -0.323 0.111 7.974 1.00 0.00 C ATOM 732 O ARG A 46 -0.577 0.699 9.007 1.00 0.00 O ATOM 733 CB ARG A 46 -2.702 0.526 7.335 1.00 0.00 C ATOM 734 CG ARG A 46 -2.470 2.034 7.231 1.00 0.00 C ATOM 735 CD ARG A 46 -3.765 2.776 7.575 1.00 0.00 C ATOM 736 NE ARG A 46 -3.578 4.235 7.337 1.00 0.00 N ATOM 737 CZ ARG A 46 -4.457 5.086 7.790 1.00 0.00 C ATOM 738 NH1 ARG A 46 -5.498 4.659 8.453 1.00 0.00 N ATOM 739 NH2 ARG A 46 -4.295 6.364 7.582 1.00 0.00 N ATOM 0 H ARG A 46 -1.632 -2.132 7.874 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.097 0.096 5.964 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.515 0.226 6.674 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.002 0.263 8.349 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.673 2.338 7.910 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.146 2.294 6.223 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.586 2.399 6.965 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.034 2.598 8.616 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.764 4.568 6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.624 3.660 8.617 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.185 5.324 8.807 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.481 6.697 7.065 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.982 7.029 7.936 1.00 0.00 H new ATOM 753 N SER A 47 0.894 -0.266 7.690 1.00 0.00 N ATOM 754 CA SER A 47 2.005 0.033 8.637 1.00 0.00 C ATOM 755 C SER A 47 3.339 -0.011 7.887 1.00 0.00 C ATOM 756 O SER A 47 3.531 -0.806 6.988 1.00 0.00 O ATOM 757 CB SER A 47 2.016 -1.010 9.755 1.00 0.00 C ATOM 758 OG SER A 47 2.906 -2.063 9.408 1.00 0.00 O ATOM 0 H SER A 47 1.166 -0.767 6.844 1.00 0.00 H new ATOM 0 HA SER A 47 1.860 1.025 9.066 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.327 -0.550 10.693 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.012 -1.404 9.910 1.00 0.00 H new ATOM 0 HG SER A 47 2.916 -2.732 10.124 1.00 0.00 H new ATOM 764 N LYS A 48 4.261 0.838 8.250 1.00 0.00 N ATOM 765 CA LYS A 48 5.581 0.844 7.559 1.00 0.00 C ATOM 766 C LYS A 48 6.309 -0.473 7.839 1.00 0.00 C ATOM 767 O LYS A 48 6.913 -1.057 6.962 1.00 0.00 O ATOM 768 CB LYS A 48 6.424 2.012 8.077 1.00 0.00 C ATOM 769 CG LYS A 48 7.310 2.543 6.949 1.00 0.00 C ATOM 770 CD LYS A 48 6.529 3.567 6.124 1.00 0.00 C ATOM 771 CE LYS A 48 7.352 3.975 4.902 1.00 0.00 C ATOM 772 NZ LYS A 48 6.938 5.333 4.453 1.00 0.00 N ATOM 0 H LYS A 48 4.157 1.527 8.995 1.00 0.00 H new ATOM 0 HA LYS A 48 5.428 0.955 6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.776 2.806 8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.040 1.686 8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.207 3.003 7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.638 1.721 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.576 3.144 5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.303 4.443 6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.414 3.970 5.148 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.208 3.255 4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.698 5.306 3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.107 5.641 4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.719 6.002 4.606 1.00 0.00 H new ATOM 786 N PRO A 49 6.246 -0.934 9.059 1.00 0.00 N ATOM 787 CA PRO A 49 6.904 -2.203 9.478 1.00 0.00 C ATOM 788 C PRO A 49 6.435 -3.401 8.648 1.00 0.00 C ATOM 789 O PRO A 49 7.214 -4.257 8.279 1.00 0.00 O ATOM 790 CB PRO A 49 6.482 -2.369 10.939 1.00 0.00 C ATOM 791 CG PRO A 49 6.110 -0.999 11.404 1.00 0.00 C ATOM 792 CD PRO A 49 5.537 -0.287 10.173 1.00 0.00 C ATOM 0 HA PRO A 49 7.984 -2.162 9.339 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.641 -3.056 11.029 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.295 -2.780 11.538 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.375 -1.044 12.208 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.978 -0.469 11.795 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.458 -0.419 10.096 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.726 0.786 10.203 1.00 0.00 H new ATOM 800 N GLN A 50 5.167 -3.467 8.349 1.00 0.00 N ATOM 801 CA GLN A 50 4.649 -4.605 7.539 1.00 0.00 C ATOM 802 C GLN A 50 5.194 -4.505 6.112 1.00 0.00 C ATOM 803 O GLN A 50 5.539 -5.496 5.498 1.00 0.00 O ATOM 804 CB GLN A 50 3.120 -4.556 7.505 1.00 0.00 C ATOM 805 CG GLN A 50 2.588 -5.747 6.706 1.00 0.00 C ATOM 806 CD GLN A 50 2.994 -7.049 7.398 1.00 0.00 C ATOM 807 OE1 GLN A 50 3.935 -7.700 6.989 1.00 0.00 O ATOM 808 NE2 GLN A 50 2.319 -7.460 8.437 1.00 0.00 N ATOM 0 H GLN A 50 4.467 -2.781 8.631 1.00 0.00 H new ATOM 0 HA GLN A 50 4.971 -5.545 7.987 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.722 -4.579 8.520 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.786 -3.623 7.052 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.503 -5.689 6.626 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.984 -5.724 5.691 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.529 -6.914 8.781 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.582 -8.327 8.905 1.00 0.00 H new ATOM 817 N LEU A 51 5.274 -3.316 5.579 1.00 0.00 N ATOM 818 CA LEU A 51 5.786 -3.155 4.189 1.00 0.00 C ATOM 819 C LEU A 51 7.233 -3.650 4.118 1.00 0.00 C ATOM 820 O LEU A 51 7.605 -4.380 3.222 1.00 0.00 O ATOM 821 CB LEU A 51 5.732 -1.679 3.794 1.00 0.00 C ATOM 822 CG LEU A 51 4.394 -1.379 3.117 1.00 0.00 C ATOM 823 CD1 LEU A 51 4.347 -2.066 1.751 1.00 0.00 C ATOM 824 CD2 LEU A 51 3.253 -1.906 3.990 1.00 0.00 C ATOM 0 H LEU A 51 5.007 -2.450 6.046 1.00 0.00 H new ATOM 0 HA LEU A 51 5.169 -3.737 3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.854 -1.051 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.554 -1.442 3.119 1.00 0.00 H new ATOM 0 HG LEU A 51 4.287 -0.302 2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.393 -1.852 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.160 -1.693 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.454 -3.143 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.298 -1.693 3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.362 -2.983 4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.285 -1.418 4.964 1.00 0.00 H new ATOM 836 N ALA A 52 8.050 -3.258 5.058 1.00 0.00 N ATOM 837 CA ALA A 52 9.474 -3.695 5.035 1.00 0.00 C ATOM 838 C ALA A 52 9.562 -5.167 5.444 1.00 0.00 C ATOM 839 O ALA A 52 10.285 -5.943 4.851 1.00 0.00 O ATOM 840 CB ALA A 52 10.283 -2.845 6.015 1.00 0.00 C ATOM 0 H ALA A 52 7.793 -2.655 5.839 1.00 0.00 H new ATOM 0 HA ALA A 52 9.876 -3.572 4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.325 -3.164 5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.220 -1.796 5.725 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.881 -2.968 7.021 1.00 0.00 H new ATOM 846 N ARG A 53 8.831 -5.557 6.452 1.00 0.00 N ATOM 847 CA ARG A 53 8.876 -6.979 6.898 1.00 0.00 C ATOM 848 C ARG A 53 8.471 -7.891 5.739 1.00 0.00 C ATOM 849 O ARG A 53 9.123 -8.876 5.455 1.00 0.00 O ATOM 850 CB ARG A 53 7.907 -7.176 8.066 1.00 0.00 C ATOM 851 CG ARG A 53 7.995 -8.621 8.563 1.00 0.00 C ATOM 852 CD ARG A 53 7.026 -8.820 9.730 1.00 0.00 C ATOM 853 NE ARG A 53 7.109 -10.228 10.210 1.00 0.00 N ATOM 854 CZ ARG A 53 6.189 -10.701 11.005 1.00 0.00 C ATOM 855 NH1 ARG A 53 5.197 -9.941 11.380 1.00 0.00 N ATOM 856 NH2 ARG A 53 6.262 -11.935 11.426 1.00 0.00 N ATOM 0 H ARG A 53 8.205 -4.954 6.986 1.00 0.00 H new ATOM 0 HA ARG A 53 9.888 -7.228 7.218 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.150 -6.487 8.874 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.889 -6.950 7.750 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.753 -9.310 7.754 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.013 -8.846 8.880 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.270 -8.133 10.540 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.008 -8.592 9.414 1.00 0.00 H new ATOM 0 HE ARG A 53 7.885 -10.822 9.917 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.141 -8.977 11.052 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.478 -10.311 12.002 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.038 -12.529 11.133 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.543 -12.305 12.048 1.00 0.00 H new ATOM 870 N TYR A 54 7.399 -7.572 5.066 1.00 0.00 N ATOM 871 CA TYR A 54 6.948 -8.429 3.934 1.00 0.00 C ATOM 872 C TYR A 54 7.932 -8.297 2.771 1.00 0.00 C ATOM 873 O TYR A 54 8.447 -9.276 2.267 1.00 0.00 O ATOM 874 CB TYR A 54 5.556 -7.982 3.480 1.00 0.00 C ATOM 875 CG TYR A 54 4.906 -9.088 2.684 1.00 0.00 C ATOM 876 CD1 TYR A 54 5.194 -9.232 1.322 1.00 0.00 C ATOM 877 CD2 TYR A 54 4.017 -9.970 3.310 1.00 0.00 C ATOM 878 CE1 TYR A 54 4.592 -10.259 0.585 1.00 0.00 C ATOM 879 CE2 TYR A 54 3.415 -10.996 2.573 1.00 0.00 C ATOM 880 CZ TYR A 54 3.701 -11.141 1.211 1.00 0.00 C ATOM 881 OH TYR A 54 3.107 -12.153 0.484 1.00 0.00 O ATOM 0 H TYR A 54 6.817 -6.755 5.251 1.00 0.00 H new ATOM 0 HA TYR A 54 6.908 -9.469 4.258 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.942 -7.733 4.346 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.632 -7.080 2.874 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.880 -8.551 0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.796 -9.859 4.361 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.814 -10.371 -0.466 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.729 -11.676 3.056 1.00 0.00 H new ATOM 0 HH TYR A 54 2.518 -12.674 1.069 1.00 0.00 H new ATOM 891 N LEU A 55 8.195 -7.094 2.338 1.00 0.00 N ATOM 892 CA LEU A 55 9.132 -6.904 1.194 1.00 0.00 C ATOM 893 C LEU A 55 10.574 -6.990 1.697 1.00 0.00 C ATOM 894 O LEU A 55 11.515 -6.857 0.939 1.00 0.00 O ATOM 895 CB LEU A 55 8.893 -5.531 0.562 1.00 0.00 C ATOM 896 CG LEU A 55 7.481 -5.475 -0.020 1.00 0.00 C ATOM 897 CD1 LEU A 55 7.192 -4.062 -0.530 1.00 0.00 C ATOM 898 CD2 LEU A 55 7.371 -6.467 -1.182 1.00 0.00 C ATOM 0 H LEU A 55 7.803 -6.236 2.726 1.00 0.00 H new ATOM 0 HA LEU A 55 8.960 -7.681 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.021 -4.748 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.628 -5.347 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 55 6.759 -5.736 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.185 -4.024 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.272 -3.354 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.913 -3.800 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.365 -6.429 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.094 -6.204 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.576 -7.475 -0.821 1.00 0.00 H new ATOM 910 N GLY A 56 10.757 -7.211 2.970 1.00 0.00 N ATOM 911 CA GLY A 56 12.139 -7.305 3.520 1.00 0.00 C ATOM 912 C GLY A 56 12.908 -8.403 2.784 1.00 0.00 C ATOM 913 O GLY A 56 12.904 -9.551 3.183 1.00 0.00 O ATOM 0 H GLY A 56 10.009 -7.331 3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.652 -6.350 3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.103 -7.524 4.587 1.00 0.00 H new ATOM 917 N GLY A 57 13.569 -8.060 1.712 1.00 0.00 N ATOM 918 CA GLY A 57 14.336 -9.087 0.950 1.00 0.00 C ATOM 919 C GLY A 57 14.034 -8.947 -0.543 1.00 0.00 C ATOM 920 O GLY A 57 14.565 -9.670 -1.363 1.00 0.00 O ATOM 0 H GLY A 57 13.611 -7.115 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.404 -8.965 1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.068 -10.086 1.294 1.00 0.00 H new ATOM 924 N SER A 58 13.186 -8.023 -0.903 1.00 0.00 N ATOM 925 CA SER A 58 12.855 -7.835 -2.343 1.00 0.00 C ATOM 926 C SER A 58 13.551 -6.576 -2.866 1.00 0.00 C ATOM 927 O SER A 58 13.912 -6.491 -4.024 1.00 0.00 O ATOM 928 CB SER A 58 11.342 -7.684 -2.503 1.00 0.00 C ATOM 929 OG SER A 58 11.022 -7.607 -3.887 1.00 0.00 O ATOM 0 H SER A 58 12.708 -7.390 -0.262 1.00 0.00 H new ATOM 0 HA SER A 58 13.196 -8.701 -2.910 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.830 -8.531 -2.046 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.998 -6.787 -1.988 1.00 0.00 H new ATOM 0 HG SER A 58 10.053 -7.512 -3.994 1.00 0.00 H new ATOM 935 N MET A 59 13.742 -5.600 -2.023 1.00 0.00 N ATOM 936 CA MET A 59 14.411 -4.347 -2.474 1.00 0.00 C ATOM 937 C MET A 59 14.540 -3.383 -1.293 1.00 0.00 C ATOM 938 O MET A 59 14.076 -3.656 -0.203 1.00 0.00 O ATOM 939 CB MET A 59 13.576 -3.692 -3.577 1.00 0.00 C ATOM 940 CG MET A 59 12.625 -2.665 -2.958 1.00 0.00 C ATOM 941 SD MET A 59 11.369 -2.197 -4.173 1.00 0.00 S ATOM 942 CE MET A 59 10.235 -3.572 -3.872 1.00 0.00 C ATOM 0 H MET A 59 13.464 -5.615 -1.042 1.00 0.00 H new ATOM 0 HA MET A 59 15.403 -4.584 -2.860 1.00 0.00 H new ATOM 0 HB2 MET A 59 14.229 -3.207 -4.302 1.00 0.00 H new ATOM 0 HB3 MET A 59 13.008 -4.450 -4.116 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.150 -3.082 -2.070 1.00 0.00 H new ATOM 0 HG3 MET A 59 13.182 -1.785 -2.637 1.00 0.00 H new ATOM 0 HE1 MET A 59 9.790 -3.890 -4.815 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.782 -4.405 -3.430 1.00 0.00 H new ATOM 0 HE3 MET A 59 9.448 -3.252 -3.189 1.00 0.00 H new ATOM 952 N ASP A 60 15.165 -2.256 -1.499 1.00 0.00 N ATOM 953 CA ASP A 60 15.312 -1.271 -0.390 1.00 0.00 C ATOM 954 C ASP A 60 14.070 -0.381 -0.332 1.00 0.00 C ATOM 955 O ASP A 60 13.890 0.505 -1.146 1.00 0.00 O ATOM 956 CB ASP A 60 16.549 -0.406 -0.636 1.00 0.00 C ATOM 957 CG ASP A 60 17.810 -1.222 -0.342 1.00 0.00 C ATOM 958 OD1 ASP A 60 17.672 -2.330 0.148 1.00 0.00 O ATOM 959 OD2 ASP A 60 18.889 -0.724 -0.615 1.00 0.00 O ATOM 0 H ASP A 60 15.580 -1.975 -2.387 1.00 0.00 H new ATOM 0 HA ASP A 60 15.423 -1.802 0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 60 16.562 -0.056 -1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 60 16.519 0.479 -0.000 1.00 0.00 H new ATOM 964 N LEU A 61 13.209 -0.606 0.623 1.00 0.00 N ATOM 965 CA LEU A 61 11.976 0.223 0.727 1.00 0.00 C ATOM 966 C LEU A 61 12.280 1.490 1.529 1.00 0.00 C ATOM 967 O LEU A 61 11.425 2.329 1.731 1.00 0.00 O ATOM 968 CB LEU A 61 10.881 -0.578 1.434 1.00 0.00 C ATOM 969 CG LEU A 61 9.585 -0.496 0.626 1.00 0.00 C ATOM 970 CD1 LEU A 61 9.647 -1.482 -0.541 1.00 0.00 C ATOM 971 CD2 LEU A 61 8.401 -0.849 1.527 1.00 0.00 C ATOM 0 H LEU A 61 13.307 -1.329 1.336 1.00 0.00 H new ATOM 0 HA LEU A 61 11.637 0.498 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.189 -1.618 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.721 -0.187 2.439 1.00 0.00 H new ATOM 0 HG LEU A 61 9.461 0.516 0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.723 -1.423 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.491 -1.233 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.771 -2.494 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.477 -0.791 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.526 -1.861 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.355 -0.147 2.360 1.00 0.00 H new ATOM 983 N SER A 62 13.492 1.637 1.989 1.00 0.00 N ATOM 984 CA SER A 62 13.848 2.848 2.781 1.00 0.00 C ATOM 985 C SER A 62 13.475 4.102 1.989 1.00 0.00 C ATOM 986 O SER A 62 13.024 5.086 2.541 1.00 0.00 O ATOM 987 CB SER A 62 15.351 2.850 3.060 1.00 0.00 C ATOM 988 OG SER A 62 15.682 3.990 3.842 1.00 0.00 O ATOM 0 H SER A 62 14.252 0.970 1.851 1.00 0.00 H new ATOM 0 HA SER A 62 13.303 2.839 3.725 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.636 1.939 3.586 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.907 2.864 2.122 1.00 0.00 H new ATOM 0 HG SER A 62 16.645 3.993 4.024 1.00 0.00 H new ATOM 994 N THR A 63 13.659 4.076 0.697 1.00 0.00 N ATOM 995 CA THR A 63 13.313 5.267 -0.129 1.00 0.00 C ATOM 996 C THR A 63 11.902 5.099 -0.699 1.00 0.00 C ATOM 997 O THR A 63 11.662 5.337 -1.867 1.00 0.00 O ATOM 998 CB THR A 63 14.314 5.402 -1.276 1.00 0.00 C ATOM 999 OG1 THR A 63 14.134 4.326 -2.188 1.00 0.00 O ATOM 1000 CG2 THR A 63 15.739 5.367 -0.721 1.00 0.00 C ATOM 0 H THR A 63 14.034 3.282 0.178 1.00 0.00 H new ATOM 0 HA THR A 63 13.351 6.162 0.491 1.00 0.00 H new ATOM 0 HB THR A 63 14.150 6.349 -1.791 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.290 4.445 -2.672 1.00 0.00 H new ATOM 0 HG21 THR A 63 16.451 5.463 -1.541 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.877 6.191 -0.021 1.00 0.00 H new ATOM 0 HG23 THR A 63 15.905 4.421 -0.205 1.00 0.00 H new ATOM 1008 N PHE A 64 10.968 4.689 0.114 1.00 0.00 N ATOM 1009 CA PHE A 64 9.576 4.500 -0.385 1.00 0.00 C ATOM 1010 C PHE A 64 8.622 5.388 0.416 1.00 0.00 C ATOM 1011 O PHE A 64 8.633 5.390 1.631 1.00 0.00 O ATOM 1012 CB PHE A 64 9.170 3.034 -0.217 1.00 0.00 C ATOM 1013 CG PHE A 64 7.685 2.893 -0.447 1.00 0.00 C ATOM 1014 CD1 PHE A 64 7.127 3.274 -1.672 1.00 0.00 C ATOM 1015 CD2 PHE A 64 6.866 2.382 0.567 1.00 0.00 C ATOM 1016 CE1 PHE A 64 5.749 3.144 -1.885 1.00 0.00 C ATOM 1017 CE2 PHE A 64 5.487 2.252 0.354 1.00 0.00 C ATOM 1018 CZ PHE A 64 4.930 2.633 -0.871 1.00 0.00 C ATOM 0 H PHE A 64 11.108 4.477 1.102 1.00 0.00 H new ATOM 0 HA PHE A 64 9.527 4.773 -1.439 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.719 2.411 -0.923 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.428 2.686 0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.759 3.669 -2.454 1.00 0.00 H new ATOM 0 HD2 PHE A 64 7.297 2.088 1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.318 3.438 -2.831 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.855 1.858 1.136 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.867 2.533 -1.035 1.00 0.00 H new ATOM 1028 N ASP A 65 7.796 6.143 -0.255 1.00 0.00 N ATOM 1029 CA ASP A 65 6.842 7.031 0.469 1.00 0.00 C ATOM 1030 C ASP A 65 5.536 6.275 0.723 1.00 0.00 C ATOM 1031 O ASP A 65 4.782 5.994 -0.187 1.00 0.00 O ATOM 1032 CB ASP A 65 6.557 8.271 -0.379 1.00 0.00 C ATOM 1033 CG ASP A 65 5.748 9.277 0.442 1.00 0.00 C ATOM 1034 OD1 ASP A 65 5.177 8.872 1.442 1.00 0.00 O ATOM 1035 OD2 ASP A 65 5.714 10.434 0.059 1.00 0.00 O ATOM 0 H ASP A 65 7.740 6.184 -1.273 1.00 0.00 H new ATOM 0 HA ASP A 65 7.278 7.334 1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.493 8.723 -0.707 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.006 7.992 -1.277 1.00 0.00 H new ATOM 1040 N PHE A 66 5.262 5.944 1.956 1.00 0.00 N ATOM 1041 CA PHE A 66 4.006 5.205 2.267 1.00 0.00 C ATOM 1042 C PHE A 66 2.824 6.176 2.241 1.00 0.00 C ATOM 1043 O PHE A 66 1.757 5.856 1.756 1.00 0.00 O ATOM 1044 CB PHE A 66 4.117 4.573 3.656 1.00 0.00 C ATOM 1045 CG PHE A 66 2.840 3.835 3.976 1.00 0.00 C ATOM 1046 CD1 PHE A 66 2.681 2.504 3.571 1.00 0.00 C ATOM 1047 CD2 PHE A 66 1.815 4.480 4.678 1.00 0.00 C ATOM 1048 CE1 PHE A 66 1.497 1.818 3.868 1.00 0.00 C ATOM 1049 CE2 PHE A 66 0.630 3.794 4.975 1.00 0.00 C ATOM 1050 CZ PHE A 66 0.472 2.463 4.570 1.00 0.00 C ATOM 0 H PHE A 66 5.853 6.153 2.760 1.00 0.00 H new ATOM 0 HA PHE A 66 3.850 4.423 1.524 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.964 3.888 3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.302 5.344 4.404 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.472 2.006 3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.938 5.506 4.991 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.375 0.791 3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.161 4.292 5.516 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.441 1.934 4.799 1.00 0.00 H new ATOM 1060 N ARG A 67 3.004 7.360 2.758 1.00 0.00 N ATOM 1061 CA ARG A 67 1.888 8.346 2.770 1.00 0.00 C ATOM 1062 C ARG A 67 1.463 8.655 1.333 1.00 0.00 C ATOM 1063 O ARG A 67 0.293 8.794 1.038 1.00 0.00 O ATOM 1064 CB ARG A 67 2.353 9.635 3.452 1.00 0.00 C ATOM 1065 CG ARG A 67 2.872 9.313 4.854 1.00 0.00 C ATOM 1066 CD ARG A 67 1.692 9.035 5.786 1.00 0.00 C ATOM 1067 NE ARG A 67 2.170 8.991 7.196 1.00 0.00 N ATOM 1068 CZ ARG A 67 1.594 8.199 8.058 1.00 0.00 C ATOM 1069 NH1 ARG A 67 0.596 7.444 7.685 1.00 0.00 N ATOM 1070 NH2 ARG A 67 2.014 8.161 9.293 1.00 0.00 N ATOM 0 H ARG A 67 3.876 7.687 3.173 1.00 0.00 H new ATOM 0 HA ARG A 67 1.042 7.929 3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.138 10.108 2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.528 10.345 3.512 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.532 8.447 4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.461 10.147 5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.935 9.811 5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.221 8.088 5.521 1.00 0.00 H new ATOM 0 HE ARG A 67 2.949 9.581 7.488 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.267 7.474 6.720 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.145 6.825 8.359 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.793 8.751 9.585 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.563 7.541 9.966 1.00 0.00 H new ATOM 1084 N THR A 68 2.405 8.761 0.436 1.00 0.00 N ATOM 1085 CA THR A 68 2.055 9.071 -0.978 1.00 0.00 C ATOM 1086 C THR A 68 2.078 7.784 -1.804 1.00 0.00 C ATOM 1087 O THR A 68 1.564 7.731 -2.904 1.00 0.00 O ATOM 1088 CB THR A 68 3.071 10.063 -1.550 1.00 0.00 C ATOM 1089 OG1 THR A 68 4.332 9.421 -1.683 1.00 0.00 O ATOM 1090 CG2 THR A 68 3.204 11.261 -0.609 1.00 0.00 C ATOM 0 H THR A 68 3.401 8.646 0.622 1.00 0.00 H new ATOM 0 HA THR A 68 1.058 9.509 -1.017 1.00 0.00 H new ATOM 0 HB THR A 68 2.732 10.408 -2.527 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.048 10.075 -1.543 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.928 11.966 -1.018 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.236 11.752 -0.507 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.543 10.920 0.369 1.00 0.00 H new ATOM 1098 N GLY A 69 2.669 6.745 -1.283 1.00 0.00 N ATOM 1099 CA GLY A 69 2.718 5.459 -2.036 1.00 0.00 C ATOM 1100 C GLY A 69 3.538 5.645 -3.313 1.00 0.00 C ATOM 1101 O GLY A 69 3.173 5.173 -4.371 1.00 0.00 O ATOM 0 H GLY A 69 3.120 6.730 -0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.162 4.680 -1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.708 5.132 -2.284 1.00 0.00 H new ATOM 1105 N LYS A 70 4.644 6.332 -3.224 1.00 0.00 N ATOM 1106 CA LYS A 70 5.488 6.544 -4.434 1.00 0.00 C ATOM 1107 C LYS A 70 6.958 6.319 -4.076 1.00 0.00 C ATOM 1108 O LYS A 70 7.402 6.655 -2.996 1.00 0.00 O ATOM 1109 CB LYS A 70 5.300 7.974 -4.943 1.00 0.00 C ATOM 1110 CG LYS A 70 5.743 8.059 -6.405 1.00 0.00 C ATOM 1111 CD LYS A 70 4.578 7.665 -7.314 1.00 0.00 C ATOM 1112 CE LYS A 70 3.687 8.885 -7.561 1.00 0.00 C ATOM 1113 NZ LYS A 70 2.616 8.530 -8.533 1.00 0.00 N ATOM 0 H LYS A 70 4.999 6.755 -2.367 1.00 0.00 H new ATOM 0 HA LYS A 70 5.192 5.840 -5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.255 8.269 -4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.882 8.667 -4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.074 9.071 -6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.593 7.398 -6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.956 7.280 -8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.998 6.865 -6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.245 9.221 -6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.283 9.712 -7.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.011 9.359 -8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.047 8.229 -9.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.041 7.754 -8.148 1.00 0.00 H new ATOM 1127 N MET A 71 7.717 5.752 -4.973 1.00 0.00 N ATOM 1128 CA MET A 71 9.156 5.499 -4.678 1.00 0.00 C ATOM 1129 C MET A 71 9.971 6.752 -5.000 1.00 0.00 C ATOM 1130 O MET A 71 9.833 7.341 -6.053 1.00 0.00 O ATOM 1131 CB MET A 71 9.654 4.334 -5.535 1.00 0.00 C ATOM 1132 CG MET A 71 11.091 3.985 -5.140 1.00 0.00 C ATOM 1133 SD MET A 71 11.102 3.263 -3.480 1.00 0.00 S ATOM 1134 CE MET A 71 11.047 1.527 -3.988 1.00 0.00 C ATOM 0 H MET A 71 7.404 5.453 -5.897 1.00 0.00 H new ATOM 0 HA MET A 71 9.272 5.251 -3.623 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.008 3.467 -5.399 1.00 0.00 H new ATOM 0 HB3 MET A 71 9.611 4.601 -6.591 1.00 0.00 H new ATOM 0 HG2 MET A 71 11.516 3.282 -5.857 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.713 4.880 -5.163 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.046 0.889 -3.104 1.00 0.00 H new ATOM 0 HE2 MET A 71 10.141 1.346 -4.567 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.920 1.299 -4.599 1.00 0.00 H new ATOM 1144 N LEU A 72 10.820 7.167 -4.100 1.00 0.00 N ATOM 1145 CA LEU A 72 11.640 8.386 -4.353 1.00 0.00 C ATOM 1146 C LEU A 72 12.950 8.291 -3.567 1.00 0.00 C ATOM 1147 CB LEU A 72 10.864 9.626 -3.904 1.00 0.00 C ATOM 1148 CG LEU A 72 11.422 10.862 -4.612 1.00 0.00 C ATOM 1149 CD1 LEU A 72 10.520 12.064 -4.329 1.00 0.00 C ATOM 1150 CD2 LEU A 72 12.832 11.150 -4.092 1.00 0.00 C ATOM 0 H LEU A 72 10.981 6.715 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 72 11.860 8.462 -5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.805 9.509 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.943 9.746 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 72 11.458 10.681 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 72 10.918 12.944 -4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.514 11.859 -4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.484 12.247 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.232 12.030 -4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.794 11.331 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 72 13.476 10.294 -4.292 1.00 0.00 H new TER 1162 LEU A 72