USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 595 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 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -161:sc= -0.857 USER MOD Single : A 6 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.77) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 112:sc= 1.14 USER MOD Single : A 16 GLN : amide:sc= -5.96! C(o=-6!,f=-13!) USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.042) USER MOD Single : A 22 GLN : amide:sc= -3.44 K(o=-3.4,f=-7.1!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 155:sc= 0.275 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0.397 K(o=0.4,f=-4!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 140:sc= 0.295 (180deg=-0.0238) USER MOD Single : A 44 THR OG1 : rot -15:sc= -2.92 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -158:sc= -6.03! (180deg=-6.82!) USER MOD Single : A 64 GLN : amide:sc= -0.0171 K(o=-0.017,f=-0.7) USER MOD Single : A 65 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -12.879 -11.471 -20.789 1.00 0.00 N ATOM 2 CA LEU A 1 -12.504 -10.180 -20.145 1.00 0.00 C ATOM 3 C LEU A 1 -11.005 -10.168 -19.867 1.00 0.00 C ATOM 4 O LEU A 1 -10.289 -9.258 -20.283 1.00 0.00 O ATOM 5 CB LEU A 1 -13.269 -10.025 -18.829 1.00 0.00 C ATOM 6 CG LEU A 1 -13.517 -8.542 -18.554 1.00 0.00 C ATOM 7 CD1 LEU A 1 -14.776 -8.383 -17.701 1.00 0.00 C ATOM 8 CD2 LEU A 1 -12.318 -7.955 -17.806 1.00 0.00 C ATOM 0 H1 LEU A 1 -13.901 -11.480 -20.979 1.00 0.00 H new ATOM 0 H2 LEU A 1 -12.360 -11.576 -21.684 1.00 0.00 H new ATOM 0 H3 LEU A 1 -12.638 -12.259 -20.154 1.00 0.00 H new ATOM 0 HA LEU A 1 -12.757 -9.355 -20.811 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -14.218 -10.559 -18.883 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -12.700 -10.467 -18.011 1.00 0.00 H new ATOM 0 HG LEU A 1 -13.650 -8.016 -19.499 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -14.952 -7.325 -17.506 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -15.631 -8.801 -18.233 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -14.644 -8.910 -16.756 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -12.494 -6.897 -17.609 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -12.185 -8.482 -16.861 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -11.420 -8.067 -18.414 1.00 0.00 H new ATOM 22 N GLY A 2 -10.539 -11.191 -19.156 1.00 0.00 N ATOM 23 CA GLY A 2 -9.120 -11.292 -18.825 1.00 0.00 C ATOM 24 C GLY A 2 -8.762 -10.340 -17.689 1.00 0.00 C ATOM 25 O GLY A 2 -9.633 -9.711 -17.088 1.00 0.00 O ATOM 0 H GLY A 2 -11.115 -11.954 -18.801 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.881 -12.316 -18.537 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -8.519 -11.059 -19.704 1.00 0.00 H new ATOM 29 N ALA A 3 -7.467 -10.244 -17.401 1.00 0.00 N ATOM 30 CA ALA A 3 -6.998 -9.365 -16.333 1.00 0.00 C ATOM 31 C ALA A 3 -5.613 -8.817 -16.665 1.00 0.00 C ATOM 32 O ALA A 3 -5.367 -7.614 -16.576 1.00 0.00 O ATOM 33 CB ALA A 3 -6.929 -10.123 -15.006 1.00 0.00 C ATOM 0 H ALA A 3 -6.731 -10.757 -17.886 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.704 -8.540 -16.242 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.578 -9.452 -14.222 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.920 -10.495 -14.748 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.240 -10.962 -15.102 1.00 0.00 H new ATOM 39 N SER A 4 -4.711 -9.716 -17.049 1.00 0.00 N ATOM 40 CA SER A 4 -3.350 -9.315 -17.393 1.00 0.00 C ATOM 41 C SER A 4 -2.565 -10.506 -17.933 1.00 0.00 C ATOM 42 O SER A 4 -2.920 -11.661 -17.697 1.00 0.00 O ATOM 43 CB SER A 4 -2.628 -8.760 -16.165 1.00 0.00 C ATOM 44 OG SER A 4 -3.058 -9.465 -15.008 1.00 0.00 O ATOM 0 H SER A 4 -4.894 -10.716 -17.129 1.00 0.00 H new ATOM 0 HA SER A 4 -3.411 -8.541 -18.158 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.550 -8.861 -16.287 1.00 0.00 H new ATOM 0 HB3 SER A 4 -2.838 -7.696 -16.055 1.00 0.00 H new ATOM 0 HG SER A 4 -2.847 -8.940 -14.208 1.00 0.00 H new ATOM 50 N TRP A 5 -1.493 -10.212 -18.662 1.00 0.00 N ATOM 51 CA TRP A 5 -0.660 -11.266 -19.235 1.00 0.00 C ATOM 52 C TRP A 5 0.068 -12.028 -18.132 1.00 0.00 C ATOM 53 O TRP A 5 0.314 -13.229 -18.244 1.00 0.00 O ATOM 54 CB TRP A 5 0.372 -10.671 -20.194 1.00 0.00 C ATOM 55 CG TRP A 5 0.734 -11.687 -21.229 1.00 0.00 C ATOM 56 CD1 TRP A 5 -0.022 -11.999 -22.308 1.00 0.00 C ATOM 57 CD2 TRP A 5 1.923 -12.526 -21.306 1.00 0.00 C ATOM 58 NE1 TRP A 5 0.627 -12.977 -23.040 1.00 0.00 N ATOM 59 CE2 TRP A 5 1.830 -13.335 -22.463 1.00 0.00 C ATOM 60 CE3 TRP A 5 3.060 -12.664 -20.491 1.00 0.00 C ATOM 61 CZ2 TRP A 5 2.830 -14.247 -22.801 1.00 0.00 C ATOM 62 CZ3 TRP A 5 4.070 -13.581 -20.827 1.00 0.00 C ATOM 63 CH2 TRP A 5 3.955 -14.370 -21.980 1.00 0.00 C ATOM 0 H TRP A 5 -1.182 -9.263 -18.869 1.00 0.00 H new ATOM 0 HA TRP A 5 -1.310 -11.949 -19.781 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -0.032 -9.778 -20.671 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.261 -10.364 -19.644 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.975 -11.557 -22.556 1.00 0.00 H new ATOM 0 HE1 TRP A 5 0.262 -13.384 -23.901 1.00 0.00 H new ATOM 0 HE3 TRP A 5 3.158 -12.061 -19.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 2.736 -14.853 -23.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 4.939 -13.679 -20.194 1.00 0.00 H new ATOM 0 HH2 TRP A 5 4.735 -15.072 -22.234 1.00 0.00 H new ATOM 74 N HIS A 6 0.410 -11.315 -17.063 1.00 0.00 N ATOM 75 CA HIS A 6 1.111 -11.932 -15.939 1.00 0.00 C ATOM 76 C HIS A 6 0.624 -11.342 -14.620 1.00 0.00 C ATOM 77 O HIS A 6 0.474 -10.128 -14.483 1.00 0.00 O ATOM 78 CB HIS A 6 2.621 -11.709 -16.061 1.00 0.00 C ATOM 79 CG HIS A 6 2.904 -10.239 -16.219 1.00 0.00 C ATOM 80 ND1 HIS A 6 3.250 -9.433 -15.146 1.00 0.00 N ATOM 81 CD2 HIS A 6 2.896 -9.417 -17.318 1.00 0.00 C ATOM 82 CE1 HIS A 6 3.435 -8.187 -15.619 1.00 0.00 C ATOM 83 NE2 HIS A 6 3.232 -8.122 -16.937 1.00 0.00 N ATOM 0 H HIS A 6 0.216 -10.320 -16.950 1.00 0.00 H new ATOM 0 HA HIS A 6 0.901 -13.002 -15.957 1.00 0.00 H new ATOM 0 HB2 HIS A 6 3.128 -12.094 -15.176 1.00 0.00 H new ATOM 0 HB3 HIS A 6 3.012 -12.259 -16.917 1.00 0.00 H new ATOM 0 HD2 HIS A 6 2.664 -9.728 -18.326 1.00 0.00 H new ATOM 0 HE1 HIS A 6 3.714 -7.342 -15.007 1.00 0.00 H new ATOM 0 HE2 HIS A 6 3.307 -7.300 -17.536 1.00 0.00 H new ATOM 91 N ARG A 7 0.381 -12.217 -13.648 1.00 0.00 N ATOM 92 CA ARG A 7 -0.090 -11.776 -12.338 1.00 0.00 C ATOM 93 C ARG A 7 0.813 -12.333 -11.231 1.00 0.00 C ATOM 94 O ARG A 7 0.532 -13.393 -10.673 1.00 0.00 O ATOM 95 CB ARG A 7 -1.524 -12.250 -12.097 1.00 0.00 C ATOM 96 CG ARG A 7 -2.413 -11.801 -13.258 1.00 0.00 C ATOM 97 CD ARG A 7 -3.734 -12.571 -13.218 1.00 0.00 C ATOM 98 NE ARG A 7 -4.255 -12.775 -14.571 1.00 0.00 N ATOM 99 CZ ARG A 7 -3.661 -13.599 -15.448 1.00 0.00 C ATOM 100 NH1 ARG A 7 -2.576 -14.264 -15.127 1.00 0.00 N ATOM 101 NH2 ARG A 7 -4.170 -13.741 -16.640 1.00 0.00 N ATOM 0 H ARG A 7 0.501 -13.226 -13.740 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.061 -10.687 -12.318 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.549 -13.336 -12.005 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.900 -11.842 -11.159 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.602 -10.730 -13.191 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.906 -11.977 -14.207 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.584 -13.535 -12.731 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.463 -12.022 -12.621 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.097 -12.275 -14.856 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.170 -14.159 -14.197 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.139 -14.886 -15.807 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.013 -13.228 -16.899 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.725 -14.365 -17.313 1.00 0.00 H new ATOM 115 N PRO A 8 1.908 -11.628 -10.897 1.00 0.00 N ATOM 116 CA PRO A 8 2.834 -12.085 -9.845 1.00 0.00 C ATOM 117 C PRO A 8 2.350 -11.725 -8.441 1.00 0.00 C ATOM 118 O PRO A 8 2.890 -10.828 -7.791 1.00 0.00 O ATOM 119 CB PRO A 8 4.113 -11.329 -10.189 1.00 0.00 C ATOM 120 CG PRO A 8 3.704 -10.095 -10.985 1.00 0.00 C ATOM 121 CD PRO A 8 2.296 -10.348 -11.534 1.00 0.00 C ATOM 0 HA PRO A 8 2.945 -13.169 -9.824 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.647 -11.043 -9.283 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.787 -11.957 -10.771 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.715 -9.209 -10.351 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.406 -9.913 -11.799 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.610 -9.543 -11.270 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.295 -10.423 -12.621 1.00 0.00 H new ATOM 129 N ASP A 9 1.323 -12.437 -7.982 1.00 0.00 N ATOM 130 CA ASP A 9 0.767 -12.191 -6.652 1.00 0.00 C ATOM 131 C ASP A 9 0.242 -10.762 -6.549 1.00 0.00 C ATOM 132 O ASP A 9 0.944 -9.859 -6.093 1.00 0.00 O ATOM 133 CB ASP A 9 1.830 -12.412 -5.574 1.00 0.00 C ATOM 134 CG ASP A 9 2.323 -13.853 -5.634 1.00 0.00 C ATOM 135 OD1 ASP A 9 3.216 -14.121 -6.420 1.00 0.00 O ATOM 136 OD2 ASP A 9 1.802 -14.669 -4.891 1.00 0.00 O ATOM 0 H ASP A 9 0.862 -13.182 -8.505 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.054 -12.892 -6.498 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.663 -11.725 -5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.414 -12.199 -4.589 1.00 0.00 H new ATOM 141 N LYS A 10 -1.003 -10.568 -6.976 1.00 0.00 N ATOM 142 CA LYS A 10 -1.617 -9.245 -6.928 1.00 0.00 C ATOM 143 C LYS A 10 -2.484 -9.107 -5.680 1.00 0.00 C ATOM 144 O LYS A 10 -2.603 -8.024 -5.107 1.00 0.00 O ATOM 145 CB LYS A 10 -2.485 -9.011 -8.166 1.00 0.00 C ATOM 146 CG LYS A 10 -1.605 -9.033 -9.418 1.00 0.00 C ATOM 147 CD LYS A 10 -2.196 -8.098 -10.474 1.00 0.00 C ATOM 148 CE LYS A 10 -1.067 -7.497 -11.313 1.00 0.00 C ATOM 149 NZ LYS A 10 -1.435 -6.113 -11.723 1.00 0.00 N ATOM 0 H LYS A 10 -1.601 -11.302 -7.355 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.818 -8.504 -6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.254 -9.781 -8.235 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.999 -8.053 -8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.591 -8.722 -9.168 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.539 -10.047 -9.811 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.887 -8.646 -11.114 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.768 -7.305 -9.993 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.141 -7.483 -10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.887 -8.113 -12.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.667 -5.704 -12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.309 -6.139 -12.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.586 -5.529 -10.876 1.00 0.00 H new ATOM 163 N CYS A 11 -3.090 -10.217 -5.270 1.00 0.00 N ATOM 164 CA CYS A 11 -3.948 -10.218 -4.089 1.00 0.00 C ATOM 165 C CYS A 11 -3.157 -9.810 -2.850 1.00 0.00 C ATOM 166 O CYS A 11 -3.667 -9.118 -1.970 1.00 0.00 O ATOM 167 CB CYS A 11 -4.540 -11.610 -3.867 1.00 0.00 C ATOM 168 SG CYS A 11 -5.422 -12.138 -5.359 1.00 0.00 S ATOM 0 H CYS A 11 -3.004 -11.121 -5.734 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.751 -9.500 -4.255 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.748 -12.320 -3.630 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.220 -11.596 -3.016 1.00 0.00 H new ATOM 173 N CYS A 12 -1.901 -10.249 -2.793 1.00 0.00 N ATOM 174 CA CYS A 12 -1.037 -9.927 -1.658 1.00 0.00 C ATOM 175 C CYS A 12 -1.627 -10.486 -0.366 1.00 0.00 C ATOM 176 O CYS A 12 -2.651 -10.009 0.124 1.00 0.00 O ATOM 177 CB CYS A 12 -0.875 -8.410 -1.519 1.00 0.00 C ATOM 178 SG CYS A 12 0.762 -8.030 -0.846 1.00 0.00 S ATOM 0 H CYS A 12 -1.462 -10.823 -3.512 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.062 -10.379 -1.838 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.000 -7.931 -2.490 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -1.650 -8.010 -0.864 1.00 0.00 H new ATOM 183 N LEU A 13 -0.967 -11.503 0.180 1.00 0.00 N ATOM 184 CA LEU A 13 -1.431 -12.127 1.416 1.00 0.00 C ATOM 185 C LEU A 13 -0.886 -11.378 2.629 1.00 0.00 C ATOM 186 O LEU A 13 -1.538 -11.296 3.670 1.00 0.00 O ATOM 187 CB LEU A 13 -0.974 -13.585 1.486 1.00 0.00 C ATOM 188 CG LEU A 13 -1.679 -14.535 0.515 1.00 0.00 C ATOM 189 CD1 LEU A 13 -3.187 -14.504 0.772 1.00 0.00 C ATOM 190 CD2 LEU A 13 -1.399 -14.093 -0.924 1.00 0.00 C ATOM 0 H LEU A 13 -0.117 -11.910 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.520 -12.088 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.098 -13.623 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.128 -13.949 2.502 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.306 -15.548 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.688 -15.181 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.388 -14.818 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.561 -13.491 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.901 -14.769 -1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.772 -13.079 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.325 -14.115 -1.109 1.00 0.00 H new ATOM 202 N GLY A 14 0.318 -10.834 2.482 1.00 0.00 N ATOM 203 CA GLY A 14 0.947 -10.093 3.572 1.00 0.00 C ATOM 204 C GLY A 14 0.692 -8.596 3.430 1.00 0.00 C ATOM 205 O GLY A 14 0.143 -8.137 2.428 1.00 0.00 O ATOM 0 H GLY A 14 0.874 -10.891 1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.557 -10.443 4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.020 -10.285 3.576 1.00 0.00 H new ATOM 209 N TYR A 15 1.097 -7.841 4.447 1.00 0.00 N ATOM 210 CA TYR A 15 0.909 -6.393 4.430 1.00 0.00 C ATOM 211 C TYR A 15 2.067 -5.699 5.142 1.00 0.00 C ATOM 212 O TYR A 15 2.995 -6.346 5.624 1.00 0.00 O ATOM 213 CB TYR A 15 -0.402 -6.014 5.121 1.00 0.00 C ATOM 214 CG TYR A 15 -1.566 -6.515 4.300 1.00 0.00 C ATOM 215 CD1 TYR A 15 -2.064 -7.807 4.504 1.00 0.00 C ATOM 216 CD2 TYR A 15 -2.145 -5.688 3.333 1.00 0.00 C ATOM 217 CE1 TYR A 15 -3.143 -8.270 3.740 1.00 0.00 C ATOM 218 CE2 TYR A 15 -3.223 -6.147 2.570 1.00 0.00 C ATOM 219 CZ TYR A 15 -3.723 -7.440 2.773 1.00 0.00 C ATOM 220 OH TYR A 15 -4.786 -7.894 2.020 1.00 0.00 O ATOM 0 H TYR A 15 1.553 -8.202 5.285 1.00 0.00 H new ATOM 0 HA TYR A 15 0.875 -6.070 3.390 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.436 -6.445 6.121 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.464 -4.932 5.238 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.617 -8.447 5.250 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.759 -4.692 3.175 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.527 -9.267 3.897 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.670 -5.505 1.825 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.596 -7.400 2.267 1.00 0.00 H new ATOM 230 N GLN A 16 2.001 -4.370 5.202 1.00 0.00 N ATOM 231 CA GLN A 16 3.052 -3.591 5.857 1.00 0.00 C ATOM 232 C GLN A 16 3.173 -3.981 7.326 1.00 0.00 C ATOM 233 O GLN A 16 4.260 -4.297 7.808 1.00 0.00 O ATOM 234 CB GLN A 16 2.748 -2.089 5.772 1.00 0.00 C ATOM 235 CG GLN A 16 3.918 -1.278 6.347 1.00 0.00 C ATOM 236 CD GLN A 16 5.173 -1.508 5.511 1.00 0.00 C ATOM 237 OE1 GLN A 16 5.482 -0.725 4.613 1.00 0.00 O ATOM 238 NE2 GLN A 16 5.928 -2.544 5.759 1.00 0.00 N ATOM 0 H GLN A 16 1.240 -3.815 4.810 1.00 0.00 H new ATOM 0 HA GLN A 16 3.989 -3.804 5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.574 -1.804 4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.835 -1.864 6.322 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.666 -0.217 6.356 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.101 -1.571 7.381 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.674 -3.194 6.503 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.772 -2.703 5.209 1.00 0.00 H new ATOM 247 N LYS A 17 2.034 -3.923 8.029 1.00 0.00 N ATOM 248 CA LYS A 17 1.956 -4.241 9.471 1.00 0.00 C ATOM 249 C LYS A 17 2.240 -2.996 10.312 1.00 0.00 C ATOM 250 O LYS A 17 1.559 -2.737 11.304 1.00 0.00 O ATOM 251 CB LYS A 17 2.926 -5.361 9.885 1.00 0.00 C ATOM 252 CG LYS A 17 2.318 -6.162 11.038 1.00 0.00 C ATOM 253 CD LYS A 17 3.437 -6.693 11.937 1.00 0.00 C ATOM 254 CE LYS A 17 2.831 -7.515 13.075 1.00 0.00 C ATOM 255 NZ LYS A 17 2.246 -6.598 14.094 1.00 0.00 N ATOM 0 H LYS A 17 1.139 -3.655 7.620 1.00 0.00 H new ATOM 0 HA LYS A 17 0.941 -4.593 9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.124 -6.017 9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.882 -4.935 10.189 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.641 -5.532 11.615 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.727 -6.990 10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.124 -7.308 11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.017 -5.864 12.342 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.062 -8.182 12.686 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.596 -8.143 13.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.972 -7.144 14.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.950 -5.881 14.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.407 -6.128 13.697 1.00 0.00 H new ATOM 269 N ARG A 18 3.242 -2.222 9.902 1.00 0.00 N ATOM 270 CA ARG A 18 3.595 -1.002 10.621 1.00 0.00 C ATOM 271 C ARG A 18 3.132 0.224 9.827 1.00 0.00 C ATOM 272 O ARG A 18 2.995 0.157 8.605 1.00 0.00 O ATOM 273 CB ARG A 18 5.109 -0.920 10.830 1.00 0.00 C ATOM 274 CG ARG A 18 5.494 -1.699 12.089 1.00 0.00 C ATOM 275 CD ARG A 18 6.966 -2.105 12.009 1.00 0.00 C ATOM 276 NE ARG A 18 7.233 -3.258 12.872 1.00 0.00 N ATOM 277 CZ ARG A 18 8.434 -3.853 12.915 1.00 0.00 C ATOM 278 NH1 ARG A 18 9.433 -3.425 12.180 1.00 0.00 N ATOM 279 NH2 ARG A 18 8.612 -4.878 13.704 1.00 0.00 N ATOM 0 H ARG A 18 3.819 -2.416 9.083 1.00 0.00 H new ATOM 0 HA ARG A 18 3.101 -1.022 11.592 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.629 -1.329 9.964 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.418 0.121 10.925 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.322 -1.087 12.975 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.867 -2.585 12.187 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.226 -2.348 10.979 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.596 -1.267 12.308 1.00 0.00 H new ATOM 0 HE ARG A 18 6.481 -3.620 13.459 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.304 -2.625 11.561 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.338 -3.892 12.228 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.842 -5.218 14.280 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.521 -5.338 13.745 1.00 0.00 H new ATOM 293 N PRO A 19 2.877 1.356 10.501 1.00 0.00 N ATOM 294 CA PRO A 19 2.420 2.580 9.819 1.00 0.00 C ATOM 295 C PRO A 19 3.563 3.394 9.216 1.00 0.00 C ATOM 296 O PRO A 19 4.615 3.567 9.830 1.00 0.00 O ATOM 297 CB PRO A 19 1.740 3.344 10.949 1.00 0.00 C ATOM 298 CG PRO A 19 2.340 2.840 12.257 1.00 0.00 C ATOM 299 CD PRO A 19 3.020 1.497 11.968 1.00 0.00 C ATOM 0 HA PRO A 19 1.775 2.365 8.967 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.901 4.417 10.840 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.663 3.180 10.931 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.061 3.558 12.649 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.564 2.721 13.014 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.067 1.502 12.272 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.537 0.678 12.501 1.00 0.00 H new ATOM 307 N LEU A 20 3.337 3.890 8.000 1.00 0.00 N ATOM 308 CA LEU A 20 4.349 4.689 7.308 1.00 0.00 C ATOM 309 C LEU A 20 3.887 6.146 7.190 1.00 0.00 C ATOM 310 O LEU A 20 2.687 6.420 7.185 1.00 0.00 O ATOM 311 CB LEU A 20 4.622 4.138 5.897 1.00 0.00 C ATOM 312 CG LEU A 20 4.322 2.649 5.687 1.00 0.00 C ATOM 313 CD1 LEU A 20 4.840 2.213 4.315 1.00 0.00 C ATOM 314 CD2 LEU A 20 5.012 1.826 6.776 1.00 0.00 C ATOM 0 H LEU A 20 2.471 3.755 7.478 1.00 0.00 H new ATOM 0 HA LEU A 20 5.267 4.637 7.894 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.030 4.712 5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.670 4.315 5.656 1.00 0.00 H new ATOM 0 HG LEU A 20 3.245 2.487 5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.627 1.155 4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.346 2.796 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.916 2.377 4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.797 0.768 6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.089 1.988 6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.643 2.134 7.754 1.00 0.00 H new ATOM 326 N PRO A 21 4.829 7.101 7.088 1.00 0.00 N ATOM 327 CA PRO A 21 4.482 8.527 6.966 1.00 0.00 C ATOM 328 C PRO A 21 4.179 8.939 5.527 1.00 0.00 C ATOM 329 O PRO A 21 4.865 8.529 4.591 1.00 0.00 O ATOM 330 CB PRO A 21 5.751 9.212 7.460 1.00 0.00 C ATOM 331 CG PRO A 21 6.899 8.226 7.261 1.00 0.00 C ATOM 332 CD PRO A 21 6.286 6.831 7.093 1.00 0.00 C ATOM 0 HA PRO A 21 3.580 8.785 7.521 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.933 10.132 6.905 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.657 9.487 8.511 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.487 8.494 6.383 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.575 8.247 8.116 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.611 6.357 6.167 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.570 6.165 7.908 1.00 0.00 H new ATOM 340 N GLN A 22 3.153 9.770 5.365 1.00 0.00 N ATOM 341 CA GLN A 22 2.776 10.253 4.037 1.00 0.00 C ATOM 342 C GLN A 22 3.786 11.289 3.517 1.00 0.00 C ATOM 343 O GLN A 22 3.717 11.707 2.362 1.00 0.00 O ATOM 344 CB GLN A 22 1.385 10.893 4.082 1.00 0.00 C ATOM 345 CG GLN A 22 0.922 11.229 2.659 1.00 0.00 C ATOM 346 CD GLN A 22 1.161 12.709 2.375 1.00 0.00 C ATOM 347 OE1 GLN A 22 1.976 13.353 3.036 1.00 0.00 O ATOM 348 NE2 GLN A 22 0.492 13.294 1.418 1.00 0.00 N ATOM 0 H GLN A 22 2.572 10.121 6.127 1.00 0.00 H new ATOM 0 HA GLN A 22 2.769 9.396 3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.676 10.212 4.554 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.410 11.798 4.689 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.464 10.618 1.937 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.136 10.994 2.546 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.184 12.762 0.869 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.645 14.283 1.219 1.00 0.00 H new ATOM 357 N VAL A 23 4.721 11.703 4.381 1.00 0.00 N ATOM 358 CA VAL A 23 5.732 12.689 4.005 1.00 0.00 C ATOM 359 C VAL A 23 6.480 12.279 2.728 1.00 0.00 C ATOM 360 O VAL A 23 7.045 13.124 2.033 1.00 0.00 O ATOM 361 CB VAL A 23 6.730 12.863 5.162 1.00 0.00 C ATOM 362 CG1 VAL A 23 7.454 11.540 5.431 1.00 0.00 C ATOM 363 CG2 VAL A 23 7.759 13.942 4.813 1.00 0.00 C ATOM 0 H VAL A 23 4.795 11.369 5.342 1.00 0.00 H new ATOM 0 HA VAL A 23 5.226 13.633 3.802 1.00 0.00 H new ATOM 0 HB VAL A 23 6.181 13.165 6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.159 11.671 6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.726 10.774 5.698 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.993 11.232 4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.460 14.057 5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.302 13.650 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.248 14.889 4.637 1.00 0.00 H new ATOM 373 N LEU A 24 6.489 10.981 2.425 1.00 0.00 N ATOM 374 CA LEU A 24 7.185 10.501 1.227 1.00 0.00 C ATOM 375 C LEU A 24 6.272 9.662 0.322 1.00 0.00 C ATOM 376 O LEU A 24 6.703 9.191 -0.730 1.00 0.00 O ATOM 377 CB LEU A 24 8.439 9.691 1.615 1.00 0.00 C ATOM 378 CG LEU A 24 8.237 8.221 2.040 1.00 0.00 C ATOM 379 CD1 LEU A 24 7.012 8.081 2.946 1.00 0.00 C ATOM 380 CD2 LEU A 24 8.057 7.343 0.797 1.00 0.00 C ATOM 0 H LEU A 24 6.033 10.255 2.978 1.00 0.00 H new ATOM 0 HA LEU A 24 7.488 11.381 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.123 9.704 0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.936 10.212 2.433 1.00 0.00 H new ATOM 0 HG LEU A 24 9.119 7.898 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.889 7.037 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.149 8.689 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.124 8.417 2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.915 6.306 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.185 7.680 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.943 7.418 0.167 1.00 0.00 H new ATOM 392 N LEU A 25 5.013 9.477 0.725 1.00 0.00 N ATOM 393 CA LEU A 25 4.083 8.694 -0.084 1.00 0.00 C ATOM 394 C LEU A 25 3.515 9.547 -1.215 1.00 0.00 C ATOM 395 O LEU A 25 3.738 10.757 -1.270 1.00 0.00 O ATOM 396 CB LEU A 25 2.933 8.179 0.786 1.00 0.00 C ATOM 397 CG LEU A 25 2.382 6.800 0.411 1.00 0.00 C ATOM 398 CD1 LEU A 25 3.526 5.786 0.319 1.00 0.00 C ATOM 399 CD2 LEU A 25 1.391 6.351 1.484 1.00 0.00 C ATOM 0 H LEU A 25 4.622 9.851 1.589 1.00 0.00 H new ATOM 0 HA LEU A 25 4.625 7.849 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.272 8.145 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.117 8.900 0.741 1.00 0.00 H new ATOM 0 HG LEU A 25 1.882 6.861 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.125 4.808 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.237 6.107 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.032 5.720 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.994 5.370 1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.898 6.294 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.573 7.069 1.547 1.00 0.00 H new ATOM 411 N SER A 26 2.781 8.904 -2.120 1.00 0.00 N ATOM 412 CA SER A 26 2.190 9.620 -3.249 1.00 0.00 C ATOM 413 C SER A 26 0.709 9.275 -3.398 1.00 0.00 C ATOM 414 O SER A 26 -0.162 10.122 -3.196 1.00 0.00 O ATOM 415 CB SER A 26 2.920 9.267 -4.547 1.00 0.00 C ATOM 416 OG SER A 26 2.984 10.420 -5.377 1.00 0.00 O ATOM 0 H SER A 26 2.583 7.904 -2.096 1.00 0.00 H new ATOM 0 HA SER A 26 2.289 10.688 -3.054 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.925 8.907 -4.327 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.399 8.461 -5.064 1.00 0.00 H new ATOM 0 HG SER A 26 3.452 10.199 -6.209 1.00 0.00 H new ATOM 422 N SER A 27 0.434 8.025 -3.761 1.00 0.00 N ATOM 423 CA SER A 27 -0.946 7.579 -3.943 1.00 0.00 C ATOM 424 C SER A 27 -1.073 6.096 -3.585 1.00 0.00 C ATOM 425 O SER A 27 -0.188 5.519 -2.954 1.00 0.00 O ATOM 426 CB SER A 27 -1.385 7.803 -5.395 1.00 0.00 C ATOM 427 OG SER A 27 -2.492 8.695 -5.417 1.00 0.00 O ATOM 0 H SER A 27 1.140 7.309 -3.934 1.00 0.00 H new ATOM 0 HA SER A 27 -1.591 8.159 -3.283 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.560 8.214 -5.977 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.659 6.854 -5.855 1.00 0.00 H new ATOM 0 HG SER A 27 -2.775 8.842 -6.344 1.00 0.00 H new ATOM 433 N TRP A 28 -2.185 5.488 -3.995 1.00 0.00 N ATOM 434 CA TRP A 28 -2.421 4.073 -3.712 1.00 0.00 C ATOM 435 C TRP A 28 -3.254 3.441 -4.823 1.00 0.00 C ATOM 436 O TRP A 28 -4.144 4.077 -5.387 1.00 0.00 O ATOM 437 CB TRP A 28 -3.153 3.898 -2.376 1.00 0.00 C ATOM 438 CG TRP A 28 -4.348 4.799 -2.329 1.00 0.00 C ATOM 439 CD1 TRP A 28 -4.320 6.106 -1.979 1.00 0.00 C ATOM 440 CD2 TRP A 28 -5.739 4.487 -2.631 1.00 0.00 C ATOM 441 NE1 TRP A 28 -5.603 6.617 -2.048 1.00 0.00 N ATOM 442 CE2 TRP A 28 -6.515 5.657 -2.445 1.00 0.00 C ATOM 443 CE3 TRP A 28 -6.398 3.315 -3.046 1.00 0.00 C ATOM 444 CZ2 TRP A 28 -7.893 5.662 -2.662 1.00 0.00 C ATOM 445 CZ3 TRP A 28 -7.786 3.318 -3.264 1.00 0.00 C ATOM 446 CH2 TRP A 28 -8.531 4.489 -3.072 1.00 0.00 C ATOM 0 H TRP A 28 -2.930 5.947 -4.519 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.451 3.579 -3.655 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.464 2.860 -2.255 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.480 4.128 -1.550 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.438 6.660 -1.692 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.847 7.584 -1.832 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.833 2.407 -3.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.463 6.567 -2.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.282 2.412 -3.581 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.598 4.485 -3.241 1.00 0.00 H new ATOM 457 N TYR A 29 -2.951 2.181 -5.135 1.00 0.00 N ATOM 458 CA TYR A 29 -3.679 1.472 -6.186 1.00 0.00 C ATOM 459 C TYR A 29 -4.460 0.283 -5.578 1.00 0.00 C ATOM 460 O TYR A 29 -3.909 -0.469 -4.775 1.00 0.00 O ATOM 461 CB TYR A 29 -2.681 1.026 -7.299 1.00 0.00 C ATOM 462 CG TYR A 29 -2.471 -0.480 -7.348 1.00 0.00 C ATOM 463 CD1 TYR A 29 -3.337 -1.277 -8.103 1.00 0.00 C ATOM 464 CD2 TYR A 29 -1.416 -1.067 -6.640 1.00 0.00 C ATOM 465 CE1 TYR A 29 -3.150 -2.662 -8.152 1.00 0.00 C ATOM 466 CE2 TYR A 29 -1.228 -2.453 -6.688 1.00 0.00 C ATOM 467 CZ TYR A 29 -2.095 -3.251 -7.445 1.00 0.00 C ATOM 468 OH TYR A 29 -1.910 -4.618 -7.494 1.00 0.00 O ATOM 0 H TYR A 29 -2.217 1.637 -4.682 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.413 2.132 -6.648 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.050 1.366 -8.266 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.721 1.515 -7.134 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.151 -0.823 -8.649 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.747 -0.451 -6.057 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.819 -3.277 -8.735 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.415 -2.907 -6.141 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.133 -4.863 -6.949 1.00 0.00 H new ATOM 478 N PRO A 30 -5.740 0.092 -5.949 1.00 0.00 N ATOM 479 CA PRO A 30 -6.544 -1.020 -5.412 1.00 0.00 C ATOM 480 C PRO A 30 -6.317 -2.328 -6.169 1.00 0.00 C ATOM 481 O PRO A 30 -5.958 -2.325 -7.346 1.00 0.00 O ATOM 482 CB PRO A 30 -7.967 -0.521 -5.619 1.00 0.00 C ATOM 483 CG PRO A 30 -7.924 0.499 -6.752 1.00 0.00 C ATOM 484 CD PRO A 30 -6.469 0.952 -6.909 1.00 0.00 C ATOM 0 HA PRO A 30 -6.294 -1.255 -4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.632 -1.347 -5.870 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.353 -0.067 -4.706 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.290 0.058 -7.679 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.568 1.349 -6.527 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.111 0.810 -7.929 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.349 2.009 -6.673 1.00 0.00 H new ATOM 492 N THR A 31 -6.533 -3.445 -5.479 1.00 0.00 N ATOM 493 CA THR A 31 -6.353 -4.756 -6.097 1.00 0.00 C ATOM 494 C THR A 31 -7.694 -5.478 -6.213 1.00 0.00 C ATOM 495 O THR A 31 -8.733 -4.959 -5.806 1.00 0.00 O ATOM 496 CB THR A 31 -5.385 -5.613 -5.270 1.00 0.00 C ATOM 497 OG1 THR A 31 -5.262 -6.900 -5.861 1.00 0.00 O ATOM 498 CG2 THR A 31 -5.902 -5.755 -3.835 1.00 0.00 C ATOM 0 H THR A 31 -6.829 -3.470 -4.503 1.00 0.00 H new ATOM 0 HA THR A 31 -5.937 -4.606 -7.093 1.00 0.00 H new ATOM 0 HB THR A 31 -4.410 -5.127 -5.250 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.399 -7.293 -5.613 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.208 -6.365 -3.257 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.985 -4.769 -3.379 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.882 -6.233 -3.847 1.00 0.00 H new ATOM 506 N SER A 32 -7.654 -6.682 -6.772 1.00 0.00 N ATOM 507 CA SER A 32 -8.869 -7.476 -6.941 1.00 0.00 C ATOM 508 C SER A 32 -9.487 -7.796 -5.583 1.00 0.00 C ATOM 509 O SER A 32 -8.788 -8.157 -4.636 1.00 0.00 O ATOM 510 CB SER A 32 -8.552 -8.784 -7.669 1.00 0.00 C ATOM 511 OG SER A 32 -8.723 -8.593 -9.068 1.00 0.00 O ATOM 0 H SER A 32 -6.803 -7.128 -7.114 1.00 0.00 H new ATOM 0 HA SER A 32 -9.576 -6.894 -7.532 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.530 -9.095 -7.454 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.208 -9.579 -7.315 1.00 0.00 H new ATOM 0 HG SER A 32 -8.519 -9.428 -9.539 1.00 0.00 H new ATOM 517 N GLN A 33 -10.808 -7.655 -5.497 1.00 0.00 N ATOM 518 CA GLN A 33 -11.514 -7.926 -4.252 1.00 0.00 C ATOM 519 C GLN A 33 -12.092 -9.342 -4.242 1.00 0.00 C ATOM 520 O GLN A 33 -13.058 -9.622 -3.532 1.00 0.00 O ATOM 521 CB GLN A 33 -12.654 -6.924 -4.066 1.00 0.00 C ATOM 522 CG GLN A 33 -13.557 -6.925 -5.305 1.00 0.00 C ATOM 523 CD GLN A 33 -13.208 -5.738 -6.198 1.00 0.00 C ATOM 524 OE1 GLN A 33 -12.307 -5.825 -7.034 1.00 0.00 O ATOM 525 NE2 GLN A 33 -13.874 -4.623 -6.071 1.00 0.00 N ATOM 0 H GLN A 33 -11.405 -7.357 -6.269 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.797 -7.831 -3.437 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -13.236 -7.182 -3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.249 -5.926 -3.901 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -13.432 -7.857 -5.857 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -14.603 -6.871 -5.004 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -14.620 -4.550 -5.379 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.649 -3.824 -6.664 1.00 0.00 H new ATOM 534 N LEU A 34 -11.495 -10.233 -5.032 1.00 0.00 N ATOM 535 CA LEU A 34 -11.967 -11.612 -5.095 1.00 0.00 C ATOM 536 C LEU A 34 -10.862 -12.569 -4.658 1.00 0.00 C ATOM 537 O LEU A 34 -10.751 -13.688 -5.160 1.00 0.00 O ATOM 538 CB LEU A 34 -12.394 -11.961 -6.520 1.00 0.00 C ATOM 539 CG LEU A 34 -11.335 -11.696 -7.595 1.00 0.00 C ATOM 540 CD1 LEU A 34 -10.527 -12.968 -7.844 1.00 0.00 C ATOM 541 CD2 LEU A 34 -12.018 -11.261 -8.890 1.00 0.00 C ATOM 0 H LEU A 34 -10.694 -10.027 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.821 -11.712 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.668 -13.015 -6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -13.290 -11.391 -6.765 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.666 -10.905 -7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.774 -12.777 -8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.036 -13.274 -6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.193 -13.762 -8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.264 -11.073 -9.654 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.690 -12.049 -9.230 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.589 -10.350 -8.712 1.00 0.00 H new ATOM 553 N CYS A 35 -10.042 -12.112 -3.715 1.00 0.00 N ATOM 554 CA CYS A 35 -8.941 -12.930 -3.211 1.00 0.00 C ATOM 555 C CYS A 35 -9.191 -13.323 -1.759 1.00 0.00 C ATOM 556 O CYS A 35 -10.191 -12.932 -1.157 1.00 0.00 O ATOM 557 CB CYS A 35 -7.624 -12.158 -3.298 1.00 0.00 C ATOM 558 SG CYS A 35 -7.343 -11.629 -5.005 1.00 0.00 S ATOM 0 H CYS A 35 -10.117 -11.189 -3.288 1.00 0.00 H new ATOM 0 HA CYS A 35 -8.879 -13.829 -3.824 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.655 -11.291 -2.638 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.799 -12.786 -2.961 1.00 0.00 H new ATOM 563 N SER A 36 -8.266 -14.102 -1.203 1.00 0.00 N ATOM 564 CA SER A 36 -8.391 -14.544 0.183 1.00 0.00 C ATOM 565 C SER A 36 -8.019 -13.413 1.135 1.00 0.00 C ATOM 566 O SER A 36 -8.596 -13.272 2.214 1.00 0.00 O ATOM 567 CB SER A 36 -7.476 -15.741 0.449 1.00 0.00 C ATOM 568 OG SER A 36 -7.687 -16.207 1.775 1.00 0.00 O ATOM 0 H SER A 36 -7.431 -14.437 -1.684 1.00 0.00 H new ATOM 0 HA SER A 36 -9.427 -14.837 0.352 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.683 -16.537 -0.266 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.433 -15.454 0.314 1.00 0.00 H new ATOM 0 HG SER A 36 -7.103 -16.975 1.949 1.00 0.00 H new ATOM 574 N LYS A 37 -7.047 -12.606 0.721 1.00 0.00 N ATOM 575 CA LYS A 37 -6.599 -11.482 1.539 1.00 0.00 C ATOM 576 C LYS A 37 -6.375 -10.243 0.664 1.00 0.00 C ATOM 577 O LYS A 37 -5.239 -9.922 0.312 1.00 0.00 O ATOM 578 CB LYS A 37 -5.295 -11.831 2.262 1.00 0.00 C ATOM 579 CG LYS A 37 -5.471 -13.142 3.033 1.00 0.00 C ATOM 580 CD LYS A 37 -4.656 -13.089 4.326 1.00 0.00 C ATOM 581 CE LYS A 37 -3.260 -13.663 4.074 1.00 0.00 C ATOM 582 NZ LYS A 37 -2.435 -13.521 5.307 1.00 0.00 N ATOM 0 H LYS A 37 -6.557 -12.707 -0.168 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.373 -11.270 2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.482 -11.927 1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.021 -11.028 2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.525 -13.303 3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.146 -13.983 2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.580 -12.060 4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.159 -13.657 5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.332 -14.713 3.791 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.785 -13.141 3.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.860 -14.377 5.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.810 -12.695 5.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.059 -13.391 6.129 1.00 0.00 H new ATOM 596 N PRO A 38 -7.454 -9.530 0.294 1.00 0.00 N ATOM 597 CA PRO A 38 -7.338 -8.326 -0.547 1.00 0.00 C ATOM 598 C PRO A 38 -6.972 -7.079 0.255 1.00 0.00 C ATOM 599 O PRO A 38 -7.072 -7.060 1.482 1.00 0.00 O ATOM 600 CB PRO A 38 -8.739 -8.201 -1.130 1.00 0.00 C ATOM 601 CG PRO A 38 -9.687 -8.920 -0.176 1.00 0.00 C ATOM 602 CD PRO A 38 -8.843 -9.866 0.685 1.00 0.00 C ATOM 0 HA PRO A 38 -6.546 -8.411 -1.291 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.020 -7.153 -1.236 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.783 -8.645 -2.125 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.218 -8.203 0.450 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.441 -9.477 -0.732 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.013 -9.702 1.749 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.077 -10.911 0.483 1.00 0.00 H new ATOM 610 N GLY A 39 -6.548 -6.039 -0.456 1.00 0.00 N ATOM 611 CA GLY A 39 -6.168 -4.788 0.192 1.00 0.00 C ATOM 612 C GLY A 39 -5.790 -3.739 -0.847 1.00 0.00 C ATOM 613 O GLY A 39 -6.415 -3.638 -1.903 1.00 0.00 O ATOM 0 H GLY A 39 -6.459 -6.036 -1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.994 -4.422 0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.328 -4.961 0.864 1.00 0.00 H new ATOM 617 N VAL A 40 -4.758 -2.959 -0.538 1.00 0.00 N ATOM 618 CA VAL A 40 -4.302 -1.918 -1.456 1.00 0.00 C ATOM 619 C VAL A 40 -2.807 -1.669 -1.276 1.00 0.00 C ATOM 620 O VAL A 40 -2.305 -1.597 -0.155 1.00 0.00 O ATOM 621 CB VAL A 40 -5.060 -0.610 -1.211 1.00 0.00 C ATOM 622 CG1 VAL A 40 -4.699 0.403 -2.296 1.00 0.00 C ATOM 623 CG2 VAL A 40 -6.566 -0.877 -1.250 1.00 0.00 C ATOM 0 H VAL A 40 -4.227 -3.026 0.330 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.495 -2.260 -2.473 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.784 -0.212 -0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.239 1.333 -2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.627 0.596 -2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.973 0.004 -3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.105 0.054 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.839 -1.277 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.828 -1.598 -0.476 1.00 0.00 H new ATOM 633 N ILE A 41 -2.106 -1.532 -2.397 1.00 0.00 N ATOM 634 CA ILE A 41 -0.668 -1.286 -2.358 1.00 0.00 C ATOM 635 C ILE A 41 -0.392 0.207 -2.537 1.00 0.00 C ATOM 636 O ILE A 41 -0.890 0.841 -3.468 1.00 0.00 O ATOM 637 CB ILE A 41 0.047 -2.090 -3.458 1.00 0.00 C ATOM 638 CG1 ILE A 41 -0.138 -3.585 -3.190 1.00 0.00 C ATOM 639 CG2 ILE A 41 1.549 -1.775 -3.463 1.00 0.00 C ATOM 640 CD1 ILE A 41 -1.537 -4.022 -3.626 1.00 0.00 C ATOM 0 H ILE A 41 -2.504 -1.586 -3.334 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.285 -1.608 -1.390 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.381 -1.819 -4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.616 -4.156 -3.731 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.004 -3.794 -2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.039 -2.352 -4.247 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.697 -0.711 -3.649 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.979 -2.038 -2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.662 -5.087 -3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.285 -3.461 -3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.663 -3.830 -4.691 1.00 0.00 H new ATOM 652 N PHE A 42 0.412 0.756 -1.632 1.00 0.00 N ATOM 653 CA PHE A 42 0.757 2.172 -1.692 1.00 0.00 C ATOM 654 C PHE A 42 2.010 2.377 -2.533 1.00 0.00 C ATOM 655 O PHE A 42 2.994 1.652 -2.391 1.00 0.00 O ATOM 656 CB PHE A 42 1.002 2.726 -0.288 1.00 0.00 C ATOM 657 CG PHE A 42 -0.322 3.001 0.377 1.00 0.00 C ATOM 658 CD1 PHE A 42 -1.003 1.968 1.031 1.00 0.00 C ATOM 659 CD2 PHE A 42 -0.872 4.287 0.338 1.00 0.00 C ATOM 660 CE1 PHE A 42 -2.235 2.220 1.645 1.00 0.00 C ATOM 661 CE2 PHE A 42 -2.104 4.540 0.952 1.00 0.00 C ATOM 662 CZ PHE A 42 -2.785 3.508 1.606 1.00 0.00 C ATOM 0 H PHE A 42 0.834 0.247 -0.855 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.079 2.703 -2.148 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.577 2.012 0.302 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.591 3.641 -0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.578 0.976 1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.346 5.084 -0.166 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.761 1.422 2.148 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.529 5.532 0.921 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.735 3.704 2.081 1.00 0.00 H new ATOM 672 N LEU A 43 1.962 3.375 -3.408 1.00 0.00 N ATOM 673 CA LEU A 43 3.100 3.675 -4.271 1.00 0.00 C ATOM 674 C LEU A 43 3.753 4.981 -3.838 1.00 0.00 C ATOM 675 O LEU A 43 3.259 6.066 -4.145 1.00 0.00 O ATOM 676 CB LEU A 43 2.661 3.807 -5.736 1.00 0.00 C ATOM 677 CG LEU A 43 1.627 2.785 -6.237 1.00 0.00 C ATOM 678 CD1 LEU A 43 2.038 1.368 -5.826 1.00 0.00 C ATOM 679 CD2 LEU A 43 0.251 3.111 -5.646 1.00 0.00 C ATOM 0 H LEU A 43 1.155 3.986 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 43 3.810 2.853 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.251 4.806 -5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.547 3.732 -6.366 1.00 0.00 H new ATOM 0 HG LEU A 43 1.579 2.838 -7.325 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.297 0.655 -6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.010 1.131 -6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.100 1.308 -4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.480 2.385 -6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.303 3.069 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.050 4.112 -5.956 1.00 0.00 H new ATOM 691 N THR A 44 4.873 4.874 -3.126 1.00 0.00 N ATOM 692 CA THR A 44 5.576 6.066 -2.668 1.00 0.00 C ATOM 693 C THR A 44 6.079 6.867 -3.864 1.00 0.00 C ATOM 694 O THR A 44 6.061 6.388 -4.999 1.00 0.00 O ATOM 695 CB THR A 44 6.766 5.678 -1.790 1.00 0.00 C ATOM 696 OG1 THR A 44 7.676 4.902 -2.554 1.00 0.00 O ATOM 697 CG2 THR A 44 6.277 4.863 -0.592 1.00 0.00 C ATOM 0 H THR A 44 5.306 3.990 -2.858 1.00 0.00 H new ATOM 0 HA THR A 44 4.881 6.672 -2.086 1.00 0.00 H new ATOM 0 HB THR A 44 7.264 6.579 -1.431 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.235 4.592 -3.373 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.127 4.588 0.032 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.576 5.459 -0.008 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.779 3.960 -0.945 1.00 0.00 H new ATOM 705 N LYS A 45 6.529 8.091 -3.603 1.00 0.00 N ATOM 706 CA LYS A 45 7.035 8.948 -4.672 1.00 0.00 C ATOM 707 C LYS A 45 8.231 8.293 -5.357 1.00 0.00 C ATOM 708 O LYS A 45 8.243 8.099 -6.573 1.00 0.00 O ATOM 709 CB LYS A 45 7.462 10.306 -4.113 1.00 0.00 C ATOM 710 CG LYS A 45 6.221 11.120 -3.741 1.00 0.00 C ATOM 711 CD LYS A 45 6.552 12.054 -2.576 1.00 0.00 C ATOM 712 CE LYS A 45 7.288 13.287 -3.103 1.00 0.00 C ATOM 713 NZ LYS A 45 7.097 14.422 -2.157 1.00 0.00 N ATOM 0 H LYS A 45 6.554 8.508 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 45 6.234 9.091 -5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.095 10.167 -3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.055 10.845 -4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.882 11.699 -4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.405 10.452 -3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.637 12.354 -2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.170 11.534 -1.844 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.350 13.069 -3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.911 13.555 -4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.597 15.260 -2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.083 14.635 -2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.477 14.164 -1.224 1.00 0.00 H new ATOM 727 N ARG A 46 9.240 7.959 -4.559 1.00 0.00 N ATOM 728 CA ARG A 46 10.447 7.329 -5.090 1.00 0.00 C ATOM 729 C ARG A 46 10.857 6.098 -4.271 1.00 0.00 C ATOM 730 O ARG A 46 11.886 5.481 -4.545 1.00 0.00 O ATOM 731 CB ARG A 46 11.603 8.324 -5.066 1.00 0.00 C ATOM 732 CG ARG A 46 12.784 7.759 -5.855 1.00 0.00 C ATOM 733 CD ARG A 46 13.714 8.900 -6.271 1.00 0.00 C ATOM 734 NE ARG A 46 12.976 9.923 -7.014 1.00 0.00 N ATOM 735 CZ ARG A 46 13.457 11.162 -7.192 1.00 0.00 C ATOM 736 NH1 ARG A 46 14.622 11.516 -6.706 1.00 0.00 N ATOM 737 NH2 ARG A 46 12.753 12.032 -7.864 1.00 0.00 N ATOM 0 H ARG A 46 9.248 8.112 -3.551 1.00 0.00 H new ATOM 0 HA ARG A 46 10.225 7.015 -6.110 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.287 9.274 -5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.903 8.524 -4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.328 7.036 -5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.425 7.229 -6.737 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.171 9.344 -5.387 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.524 8.510 -6.887 1.00 0.00 H new ATOM 0 HE ARG A 46 12.066 9.686 -7.409 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.181 10.844 -6.181 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.969 12.464 -6.853 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.846 11.767 -8.248 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.110 12.977 -8.005 1.00 0.00 H new ATOM 751 N GLY A 47 10.060 5.745 -3.261 1.00 0.00 N ATOM 752 CA GLY A 47 10.381 4.596 -2.425 1.00 0.00 C ATOM 753 C GLY A 47 10.039 3.286 -3.124 1.00 0.00 C ATOM 754 O GLY A 47 10.690 2.893 -4.091 1.00 0.00 O ATOM 0 H GLY A 47 9.201 6.232 -3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.442 4.611 -2.176 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.832 4.663 -1.486 1.00 0.00 H new ATOM 758 N ARG A 48 9.015 2.608 -2.613 1.00 0.00 N ATOM 759 CA ARG A 48 8.599 1.330 -3.187 1.00 0.00 C ATOM 760 C ARG A 48 7.113 1.079 -2.933 1.00 0.00 C ATOM 761 O ARG A 48 6.398 1.943 -2.426 1.00 0.00 O ATOM 762 CB ARG A 48 9.421 0.187 -2.576 1.00 0.00 C ATOM 763 CG ARG A 48 10.557 -0.199 -3.527 1.00 0.00 C ATOM 764 CD ARG A 48 11.066 -1.598 -3.173 1.00 0.00 C ATOM 765 NE ARG A 48 11.859 -2.153 -4.273 1.00 0.00 N ATOM 766 CZ ARG A 48 13.118 -1.757 -4.514 1.00 0.00 C ATOM 767 NH1 ARG A 48 13.701 -0.849 -3.769 1.00 0.00 N ATOM 768 NH2 ARG A 48 13.775 -2.288 -5.508 1.00 0.00 N ATOM 0 H ARG A 48 8.463 2.916 -1.812 1.00 0.00 H new ATOM 0 HA ARG A 48 8.770 1.369 -4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.829 0.494 -1.613 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.781 -0.675 -2.390 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.205 -0.179 -4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.369 0.524 -3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 48 11.672 -1.552 -2.268 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.222 -2.254 -2.959 1.00 0.00 H new ATOM 0 HE ARG A 48 11.441 -2.863 -4.874 1.00 0.00 H new ATOM 0 HH11 ARG A 48 13.196 -0.429 -2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 48 14.659 -0.563 -3.970 1.00 0.00 H new ATOM 0 HH21 ARG A 48 13.331 -2.996 -6.092 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.733 -1.995 -5.701 1.00 0.00 H new ATOM 782 N GLN A 49 6.666 -0.127 -3.281 1.00 0.00 N ATOM 783 CA GLN A 49 5.271 -0.505 -3.079 1.00 0.00 C ATOM 784 C GLN A 49 5.090 -1.110 -1.689 1.00 0.00 C ATOM 785 O GLN A 49 6.042 -1.606 -1.087 1.00 0.00 O ATOM 786 CB GLN A 49 4.843 -1.530 -4.130 1.00 0.00 C ATOM 787 CG GLN A 49 4.432 -0.807 -5.416 1.00 0.00 C ATOM 788 CD GLN A 49 5.603 -0.799 -6.394 1.00 0.00 C ATOM 789 OE1 GLN A 49 6.475 0.067 -6.321 1.00 0.00 O ATOM 790 NE2 GLN A 49 5.674 -1.721 -7.315 1.00 0.00 N ATOM 0 H GLN A 49 7.246 -0.853 -3.701 1.00 0.00 H new ATOM 0 HA GLN A 49 4.654 0.389 -3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.662 -2.220 -4.335 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.011 -2.126 -3.754 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.572 -1.304 -5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.127 0.215 -5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.951 -2.438 -7.375 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.452 -1.724 -7.975 1.00 0.00 H new ATOM 799 N VAL A 50 3.860 -1.062 -1.180 1.00 0.00 N ATOM 800 CA VAL A 50 3.580 -1.609 0.147 1.00 0.00 C ATOM 801 C VAL A 50 2.122 -2.048 0.262 1.00 0.00 C ATOM 802 O VAL A 50 1.207 -1.230 0.185 1.00 0.00 O ATOM 803 CB VAL A 50 3.865 -0.560 1.230 1.00 0.00 C ATOM 804 CG1 VAL A 50 3.655 -1.165 2.619 1.00 0.00 C ATOM 805 CG2 VAL A 50 5.311 -0.083 1.116 1.00 0.00 C ATOM 0 H VAL A 50 3.054 -0.657 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 50 4.228 -2.474 0.289 1.00 0.00 H new ATOM 0 HB VAL A 50 3.183 0.278 1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.860 -0.411 3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.624 -1.506 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.331 -2.010 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.510 0.662 1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.985 -0.930 1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.472 0.360 0.133 1.00 0.00 H new ATOM 815 N CYS A 51 1.923 -3.344 0.483 1.00 0.00 N ATOM 816 CA CYS A 51 0.575 -3.880 0.645 1.00 0.00 C ATOM 817 C CYS A 51 -0.010 -3.391 1.965 1.00 0.00 C ATOM 818 O CYS A 51 0.572 -3.602 3.029 1.00 0.00 O ATOM 819 CB CYS A 51 0.603 -5.410 0.654 1.00 0.00 C ATOM 820 SG CYS A 51 0.913 -6.024 -1.020 1.00 0.00 S ATOM 0 H CYS A 51 2.669 -4.036 0.554 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.037 -3.538 -0.190 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.379 -5.765 1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.346 -5.799 1.024 1.00 0.00 H new ATOM 825 N ALA A 52 -1.160 -2.729 1.893 1.00 0.00 N ATOM 826 CA ALA A 52 -1.793 -2.211 3.102 1.00 0.00 C ATOM 827 C ALA A 52 -3.307 -2.384 3.043 1.00 0.00 C ATOM 828 O ALA A 52 -3.950 -2.027 2.056 1.00 0.00 O ATOM 829 CB ALA A 52 -1.468 -0.729 3.279 1.00 0.00 C ATOM 0 H ALA A 52 -1.666 -2.540 1.028 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.403 -2.776 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.947 -0.357 4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.389 -0.600 3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.836 -0.170 2.418 1.00 0.00 H new ATOM 835 N ASP A 53 -3.865 -2.933 4.119 1.00 0.00 N ATOM 836 CA ASP A 53 -5.307 -3.147 4.192 1.00 0.00 C ATOM 837 C ASP A 53 -6.002 -1.888 4.700 1.00 0.00 C ATOM 838 O ASP A 53 -5.559 -1.262 5.663 1.00 0.00 O ATOM 839 CB ASP A 53 -5.630 -4.308 5.134 1.00 0.00 C ATOM 840 CG ASP A 53 -5.613 -5.619 4.355 1.00 0.00 C ATOM 841 OD1 ASP A 53 -6.004 -5.605 3.199 1.00 0.00 O ATOM 842 OD2 ASP A 53 -5.212 -6.620 4.927 1.00 0.00 O ATOM 0 H ASP A 53 -3.347 -3.235 4.944 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.665 -3.384 3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.902 -4.345 5.944 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.608 -4.157 5.591 1.00 0.00 H new ATOM 847 N LYS A 54 -7.098 -1.524 4.041 1.00 0.00 N ATOM 848 CA LYS A 54 -7.854 -0.335 4.432 1.00 0.00 C ATOM 849 C LYS A 54 -8.355 -0.452 5.872 1.00 0.00 C ATOM 850 O LYS A 54 -8.606 0.554 6.536 1.00 0.00 O ATOM 851 CB LYS A 54 -9.052 -0.135 3.502 1.00 0.00 C ATOM 852 CG LYS A 54 -9.886 -1.417 3.461 1.00 0.00 C ATOM 853 CD LYS A 54 -11.349 -1.067 3.181 1.00 0.00 C ATOM 854 CE LYS A 54 -12.255 -2.153 3.765 1.00 0.00 C ATOM 855 NZ LYS A 54 -13.557 -1.549 4.168 1.00 0.00 N ATOM 0 H LYS A 54 -7.481 -2.028 3.241 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.184 0.521 4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.662 0.698 3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.709 0.121 2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.507 -2.085 2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.803 -1.947 4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.593 -0.100 3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.514 -0.980 2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.419 -2.940 3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.775 -2.618 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.174 -2.286 4.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.392 -0.813 4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.015 -1.125 3.336 1.00 0.00 H new ATOM 869 N SER A 55 -8.504 -1.690 6.348 1.00 0.00 N ATOM 870 CA SER A 55 -8.982 -1.924 7.712 1.00 0.00 C ATOM 871 C SER A 55 -8.095 -1.210 8.735 1.00 0.00 C ATOM 872 O SER A 55 -8.552 -0.831 9.813 1.00 0.00 O ATOM 873 CB SER A 55 -8.998 -3.422 8.019 1.00 0.00 C ATOM 874 OG SER A 55 -10.302 -3.934 7.782 1.00 0.00 O ATOM 0 H SER A 55 -8.303 -2.537 5.816 1.00 0.00 H new ATOM 0 HA SER A 55 -9.994 -1.525 7.783 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.271 -3.941 7.394 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.709 -3.596 9.055 1.00 0.00 H new ATOM 0 HG SER A 55 -10.317 -4.895 7.976 1.00 0.00 H new ATOM 880 N LYS A 56 -6.822 -1.032 8.385 1.00 0.00 N ATOM 881 CA LYS A 56 -5.882 -0.362 9.282 1.00 0.00 C ATOM 882 C LYS A 56 -6.343 1.064 9.570 1.00 0.00 C ATOM 883 O LYS A 56 -7.313 1.548 8.987 1.00 0.00 O ATOM 884 CB LYS A 56 -4.485 -0.319 8.658 1.00 0.00 C ATOM 885 CG LYS A 56 -3.984 -1.745 8.428 1.00 0.00 C ATOM 886 CD LYS A 56 -2.456 -1.768 8.500 1.00 0.00 C ATOM 887 CE LYS A 56 -1.930 -3.027 7.810 1.00 0.00 C ATOM 888 NZ LYS A 56 -1.903 -4.154 8.786 1.00 0.00 N ATOM 0 H LYS A 56 -6.421 -1.338 7.498 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.846 -0.926 10.214 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.514 0.224 7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.799 0.217 9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.404 -2.415 9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.318 -2.107 7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.046 -0.879 8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.130 -1.748 9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.565 -3.282 6.961 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.929 -2.848 7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.545 -5.011 8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.280 -3.909 9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.865 -4.329 9.140 1.00 0.00 H new ATOM 902 N ASP A 57 -5.636 1.732 10.479 1.00 0.00 N ATOM 903 CA ASP A 57 -5.982 3.104 10.840 1.00 0.00 C ATOM 904 C ASP A 57 -5.118 4.096 10.068 1.00 0.00 C ATOM 905 O ASP A 57 -5.612 5.099 9.554 1.00 0.00 O ATOM 906 CB ASP A 57 -5.787 3.332 12.341 1.00 0.00 C ATOM 907 CG ASP A 57 -4.376 2.917 12.743 1.00 0.00 C ATOM 908 OD1 ASP A 57 -4.087 1.734 12.681 1.00 0.00 O ATOM 909 OD2 ASP A 57 -3.605 3.789 13.108 1.00 0.00 O ATOM 0 H ASP A 57 -4.830 1.351 10.974 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.030 3.262 10.584 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.951 4.382 12.584 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.521 2.756 12.905 1.00 0.00 H new ATOM 914 N TRP A 58 -3.823 3.805 9.990 1.00 0.00 N ATOM 915 CA TRP A 58 -2.904 4.685 9.273 1.00 0.00 C ATOM 916 C TRP A 58 -3.134 4.592 7.767 1.00 0.00 C ATOM 917 O TRP A 58 -2.891 5.546 7.029 1.00 0.00 O ATOM 918 CB TRP A 58 -1.441 4.345 9.593 1.00 0.00 C ATOM 919 CG TRP A 58 -1.128 2.922 9.239 1.00 0.00 C ATOM 920 CD1 TRP A 58 -1.324 1.857 10.050 1.00 0.00 C ATOM 921 CD2 TRP A 58 -0.539 2.396 8.012 1.00 0.00 C ATOM 922 NE1 TRP A 58 -0.900 0.712 9.399 1.00 0.00 N ATOM 923 CE2 TRP A 58 -0.407 0.992 8.138 1.00 0.00 C ATOM 924 CE3 TRP A 58 -0.112 2.994 6.815 1.00 0.00 C ATOM 925 CZ2 TRP A 58 0.131 0.211 7.110 1.00 0.00 C ATOM 926 CZ3 TRP A 58 0.429 2.213 5.780 1.00 0.00 C ATOM 927 CH2 TRP A 58 0.551 0.826 5.929 1.00 0.00 C ATOM 0 H TRP A 58 -3.391 2.981 10.407 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.103 5.704 9.604 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -0.780 5.014 9.042 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -1.250 4.510 10.653 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -1.743 1.894 11.045 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -0.946 -0.225 9.801 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.200 4.063 6.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.221 -0.859 7.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.753 2.685 4.864 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.970 0.232 5.130 1.00 0.00 H new ATOM 938 N VAL A 59 -3.615 3.435 7.319 1.00 0.00 N ATOM 939 CA VAL A 59 -3.886 3.235 5.899 1.00 0.00 C ATOM 940 C VAL A 59 -5.138 4.008 5.490 1.00 0.00 C ATOM 941 O VAL A 59 -5.225 4.534 4.381 1.00 0.00 O ATOM 942 CB VAL A 59 -4.082 1.744 5.606 1.00 0.00 C ATOM 943 CG1 VAL A 59 -4.300 1.529 4.104 1.00 0.00 C ATOM 944 CG2 VAL A 59 -2.832 0.983 6.052 1.00 0.00 C ATOM 0 H VAL A 59 -3.823 2.631 7.911 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.035 3.603 5.325 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.955 1.379 6.147 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.438 0.466 3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.186 2.077 3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.431 1.891 3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.961 -0.080 5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.965 1.355 5.506 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.678 1.131 7.121 1.00 0.00 H new ATOM 954 N LYS A 60 -6.101 4.072 6.402 1.00 0.00 N ATOM 955 CA LYS A 60 -7.347 4.784 6.132 1.00 0.00 C ATOM 956 C LYS A 60 -7.078 6.268 5.910 1.00 0.00 C ATOM 957 O LYS A 60 -7.630 6.885 4.999 1.00 0.00 O ATOM 958 CB LYS A 60 -8.318 4.622 7.303 1.00 0.00 C ATOM 959 CG LYS A 60 -9.734 4.975 6.845 1.00 0.00 C ATOM 960 CD LYS A 60 -10.742 4.512 7.898 1.00 0.00 C ATOM 961 CE LYS A 60 -12.139 4.454 7.277 1.00 0.00 C ATOM 962 NZ LYS A 60 -12.937 3.390 7.949 1.00 0.00 N ATOM 0 H LYS A 60 -6.046 3.645 7.326 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.789 4.359 5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.289 3.597 7.674 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.020 5.268 8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.820 6.051 6.692 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.947 4.499 5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.461 3.530 8.279 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.738 5.196 8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.636 5.418 7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.066 4.249 6.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.887 3.350 7.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.465 2.472 7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.017 3.605 8.963 1.00 0.00 H new ATOM 976 N LYS A 61 -6.225 6.838 6.757 1.00 0.00 N ATOM 977 CA LYS A 61 -5.890 8.256 6.646 1.00 0.00 C ATOM 978 C LYS A 61 -5.230 8.548 5.303 1.00 0.00 C ATOM 979 O LYS A 61 -5.538 9.546 4.650 1.00 0.00 O ATOM 980 CB LYS A 61 -4.939 8.672 7.770 1.00 0.00 C ATOM 981 CG LYS A 61 -5.719 8.791 9.081 1.00 0.00 C ATOM 982 CD LYS A 61 -4.774 9.239 10.198 1.00 0.00 C ATOM 983 CE LYS A 61 -5.480 9.103 11.549 1.00 0.00 C ATOM 984 NZ LYS A 61 -5.171 7.771 12.140 1.00 0.00 N ATOM 0 H LYS A 61 -5.758 6.347 7.519 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.816 8.825 6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.140 7.938 7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.467 9.624 7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.532 9.508 8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.172 7.833 9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.868 8.634 10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.469 10.273 10.038 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.155 9.896 12.223 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.557 9.215 11.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.651 7.679 13.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.502 7.022 11.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.144 7.681 12.276 1.00 0.00 H new ATOM 998 N LEU A 62 -4.322 7.666 4.893 1.00 0.00 N ATOM 999 CA LEU A 62 -3.628 7.840 3.619 1.00 0.00 C ATOM 1000 C LEU A 62 -4.625 7.834 2.469 1.00 0.00 C ATOM 1001 O LEU A 62 -4.546 8.647 1.549 1.00 0.00 O ATOM 1002 CB LEU A 62 -2.620 6.718 3.398 1.00 0.00 C ATOM 1003 CG LEU A 62 -1.458 6.686 4.391 1.00 0.00 C ATOM 1004 CD1 LEU A 62 -0.994 5.242 4.580 1.00 0.00 C ATOM 1005 CD2 LEU A 62 -0.301 7.528 3.850 1.00 0.00 C ATOM 0 H LEU A 62 -4.052 6.833 5.416 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.106 8.796 3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.145 5.764 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.214 6.808 2.390 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.784 7.092 5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.165 5.216 5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.819 4.642 4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.666 4.837 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.528 7.505 4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.028 7.122 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.633 8.557 3.713 1.00 0.00 H new ATOM 1017 N MET A 63 -5.570 6.898 2.538 1.00 0.00 N ATOM 1018 CA MET A 63 -6.599 6.773 1.502 1.00 0.00 C ATOM 1019 C MET A 63 -7.306 8.107 1.271 1.00 0.00 C ATOM 1020 O MET A 63 -7.619 8.475 0.139 1.00 0.00 O ATOM 1021 CB MET A 63 -7.642 5.731 1.909 1.00 0.00 C ATOM 1022 CG MET A 63 -7.050 4.327 1.762 1.00 0.00 C ATOM 1023 SD MET A 63 -8.359 3.159 1.317 1.00 0.00 S ATOM 1024 CE MET A 63 -7.685 2.674 -0.289 1.00 0.00 C ATOM 0 H MET A 63 -5.646 6.218 3.294 1.00 0.00 H new ATOM 0 HA MET A 63 -6.103 6.462 0.582 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.955 5.898 2.940 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.531 5.829 1.286 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.274 4.327 0.997 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.578 4.021 2.696 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.484 2.273 -0.913 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.245 3.544 -0.777 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.919 1.912 -0.147 1.00 0.00 H new ATOM 1034 N GLN A 64 -7.548 8.825 2.361 1.00 0.00 N ATOM 1035 CA GLN A 64 -8.216 10.120 2.276 1.00 0.00 C ATOM 1036 C GLN A 64 -7.206 11.226 1.976 1.00 0.00 C ATOM 1037 O GLN A 64 -7.533 12.228 1.340 1.00 0.00 O ATOM 1038 CB GLN A 64 -8.932 10.440 3.590 1.00 0.00 C ATOM 1039 CG GLN A 64 -10.374 9.932 3.523 1.00 0.00 C ATOM 1040 CD GLN A 64 -11.291 11.061 3.063 1.00 0.00 C ATOM 1041 OE1 GLN A 64 -10.879 11.934 2.300 1.00 0.00 O ATOM 1042 NE2 GLN A 64 -12.526 11.093 3.484 1.00 0.00 N ATOM 0 H GLN A 64 -7.295 8.537 3.306 1.00 0.00 H new ATOM 0 HA GLN A 64 -8.946 10.068 1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -8.409 9.973 4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -8.922 11.515 3.769 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -10.442 9.090 2.834 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.689 9.569 4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.868 10.370 4.116 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.149 11.841 3.180 1.00 0.00 H new ATOM 1051 N GLN A 65 -5.974 11.035 2.445 1.00 0.00 N ATOM 1052 CA GLN A 65 -4.924 12.025 2.227 1.00 0.00 C ATOM 1053 C GLN A 65 -4.488 12.041 0.764 1.00 0.00 C ATOM 1054 O GLN A 65 -4.080 13.077 0.238 1.00 0.00 O ATOM 1055 CB GLN A 65 -3.712 11.718 3.104 1.00 0.00 C ATOM 1056 CG GLN A 65 -3.897 12.366 4.481 1.00 0.00 C ATOM 1057 CD GLN A 65 -3.095 13.662 4.552 1.00 0.00 C ATOM 1058 OE1 GLN A 65 -2.133 13.764 5.314 1.00 0.00 O ATOM 1059 NE2 GLN A 65 -3.437 14.669 3.796 1.00 0.00 N ATOM 0 H GLN A 65 -5.682 10.213 2.973 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.329 13.002 2.491 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.592 10.640 3.211 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.804 12.095 2.632 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.953 12.570 4.658 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.569 11.681 5.263 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.234 14.585 3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.908 15.540 3.836 1.00 0.00 H new ATOM 1068 N LEU A 66 -4.583 10.886 0.110 1.00 0.00 N ATOM 1069 CA LEU A 66 -4.198 10.789 -1.292 1.00 0.00 C ATOM 1070 C LEU A 66 -5.415 10.413 -2.134 1.00 0.00 C ATOM 1071 O LEU A 66 -6.370 9.835 -1.616 1.00 0.00 O ATOM 1072 CB LEU A 66 -3.114 9.727 -1.480 1.00 0.00 C ATOM 1073 CG LEU A 66 -2.046 9.689 -0.385 1.00 0.00 C ATOM 1074 CD1 LEU A 66 -1.154 8.463 -0.583 1.00 0.00 C ATOM 1075 CD2 LEU A 66 -1.192 10.957 -0.463 1.00 0.00 C ATOM 0 H LEU A 66 -4.919 10.016 0.523 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.808 11.756 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.591 8.749 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.624 9.896 -2.439 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.529 9.633 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.393 8.437 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.761 7.559 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.671 8.518 -1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.431 10.931 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.710 11.012 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.826 11.832 -0.322 1.00 0.00 H new ATOM 1087 N PRO A 67 -5.406 10.718 -3.438 1.00 0.00 N ATOM 1088 CA PRO A 67 -6.541 10.371 -4.304 1.00 0.00 C ATOM 1089 C PRO A 67 -6.565 8.870 -4.605 1.00 0.00 C ATOM 1090 O PRO A 67 -7.167 8.102 -3.855 1.00 0.00 O ATOM 1091 CB PRO A 67 -6.290 11.229 -5.543 1.00 0.00 C ATOM 1092 CG PRO A 67 -4.799 11.539 -5.568 1.00 0.00 C ATOM 1093 CD PRO A 67 -4.286 11.401 -4.130 1.00 0.00 C ATOM 0 HA PRO A 67 -7.518 10.565 -3.861 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.590 10.700 -6.447 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.875 12.148 -5.502 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.274 10.852 -6.232 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.621 12.546 -5.946 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.367 10.816 -4.084 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.069 12.372 -3.684 1.00 0.00 H new ATOM 1101 N VAL A 68 -5.884 8.445 -5.676 1.00 0.00 N ATOM 1102 CA VAL A 68 -5.830 7.026 -6.017 1.00 0.00 C ATOM 1103 C VAL A 68 -4.970 6.815 -7.270 1.00 0.00 C ATOM 1104 O VAL A 68 -4.578 7.773 -7.937 1.00 0.00 O ATOM 1105 CB VAL A 68 -7.260 6.449 -6.202 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -7.796 6.658 -7.630 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -7.232 4.957 -5.871 1.00 0.00 C ATOM 0 H VAL A 68 -5.371 9.057 -6.311 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.364 6.484 -5.194 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.932 6.982 -5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.798 6.237 -7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.832 7.724 -7.853 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.138 6.161 -8.342 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.230 4.538 -5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.538 4.449 -6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.908 4.819 -4.840 1.00 0.00 H new ATOM 1117 N THR A 69 -4.676 5.553 -7.577 1.00 0.00 N ATOM 1118 CA THR A 69 -3.858 5.235 -8.747 1.00 0.00 C ATOM 1119 C THR A 69 -4.516 5.751 -10.027 1.00 0.00 C ATOM 1120 O THR A 69 -3.856 6.324 -10.893 1.00 0.00 O ATOM 1121 CB THR A 69 -3.641 3.722 -8.864 1.00 0.00 C ATOM 1122 OG1 THR A 69 -2.875 3.445 -10.027 1.00 0.00 O ATOM 1123 CG2 THR A 69 -4.990 3.001 -8.958 1.00 0.00 C ATOM 0 H THR A 69 -4.987 4.743 -7.040 1.00 0.00 H new ATOM 0 HA THR A 69 -2.894 5.726 -8.618 1.00 0.00 H new ATOM 0 HB THR A 69 -3.111 3.369 -7.980 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.734 2.478 -10.103 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.824 1.927 -9.041 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.577 3.209 -8.064 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.530 3.353 -9.837 1.00 0.00 H new ATOM 1131 N ALA A 70 -5.825 5.539 -10.133 1.00 0.00 N ATOM 1132 CA ALA A 70 -6.570 5.985 -11.310 1.00 0.00 C ATOM 1133 C ALA A 70 -6.030 5.314 -12.570 1.00 0.00 C ATOM 1134 O ALA A 70 -4.898 4.834 -12.600 1.00 0.00 O ATOM 1135 CB ALA A 70 -6.465 7.503 -11.470 1.00 0.00 C ATOM 0 H ALA A 70 -6.389 5.066 -9.427 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.615 5.707 -11.169 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.026 7.816 -12.351 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.876 7.991 -10.586 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.419 7.785 -11.587 1.00 0.00 H new ATOM 1141 N ARG A 71 -6.857 5.288 -13.612 1.00 0.00 N ATOM 1142 CA ARG A 71 -6.456 4.673 -14.874 1.00 0.00 C ATOM 1143 C ARG A 71 -6.194 5.745 -15.929 1.00 0.00 C ATOM 1144 O ARG A 71 -5.909 5.380 -17.057 1.00 0.00 O ATOM 1145 CB ARG A 71 -7.549 3.731 -15.383 1.00 0.00 C ATOM 1146 CG ARG A 71 -7.707 2.561 -14.410 1.00 0.00 C ATOM 1147 CD ARG A 71 -8.812 2.882 -13.401 1.00 0.00 C ATOM 1148 NE ARG A 71 -10.103 2.372 -13.866 1.00 0.00 N ATOM 1149 CZ ARG A 71 -11.186 2.348 -13.077 1.00 0.00 C ATOM 1150 NH1 ARG A 71 -11.138 2.786 -11.842 1.00 0.00 N ATOM 1151 NH2 ARG A 71 -12.311 1.881 -13.547 1.00 0.00 N ATOM 1152 OXT ARG A 71 -6.284 6.914 -15.591 1.00 0.00 O ATOM 0 H ARG A 71 -7.798 5.681 -13.609 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.543 4.106 -14.696 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.492 4.269 -15.478 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.292 3.361 -16.375 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.952 1.650 -14.956 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.767 2.377 -13.890 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.568 2.441 -12.435 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.874 3.960 -13.253 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.181 2.024 -14.822 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.265 3.154 -11.465 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.974 2.759 -11.258 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.360 1.539 -14.507 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.141 1.858 -12.955 1.00 0.00 H new TER 1166 ARG A 71