USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 613 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.073 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0469 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.676 USER MOD Single : A 16 SER OG : rot -37:sc= 1.22 USER MOD Single : A 18 GLN : amide:sc= -0.0932 K(o=-0.093,f=-3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0551 X(o=-0.055,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0118) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.00822 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0718 X(o=-0.072,f=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.633 K(o=-0.63,f=-0.049) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0966 K(o=-0.097,f=-2.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.013) USER MOD Single : A 57 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 0.865 (180deg=0.749) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 152:sc= -0.312 (180deg=-0.726) USER MOD Single : A 69 ASN : amide:sc= -0.0374 X(o=-0.037,f=-0.0089) USER MOD Single : A 71 SER OG : rot 180:sc= 0.00117 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.987 -11.875 2.838 1.00 51.11 N ATOM 2 CA GLY A 1 24.042 -10.947 2.207 1.00 34.11 C ATOM 3 C GLY A 1 23.026 -10.405 3.208 1.00 24.24 C ATOM 4 O GLY A 1 23.036 -10.766 4.383 1.00 5.33 O ATOM 0 H1 GLY A 1 25.932 -11.441 2.868 1.00 51.11 H new ATOM 0 H2 GLY A 1 24.672 -12.086 3.806 1.00 51.11 H new ATOM 0 H3 GLY A 1 25.028 -12.756 2.287 1.00 51.11 H new ATOM 0 HA2 GLY A 1 24.590 -10.118 1.761 1.00 34.11 H new ATOM 0 HA3 GLY A 1 23.519 -11.456 1.397 1.00 34.11 H new ATOM 8 N ALA A 2 22.110 -9.569 2.708 1.00 33.13 N ATOM 9 CA ALA A 2 20.991 -8.916 3.382 1.00 73.53 C ATOM 10 C ALA A 2 21.371 -8.178 4.676 1.00 44.03 C ATOM 11 O ALA A 2 21.205 -8.751 5.757 1.00 42.42 O ATOM 12 CB ALA A 2 19.848 -9.909 3.610 1.00 50.05 C ATOM 0 H ALA A 2 22.140 -9.309 1.722 1.00 33.13 H new ATOM 0 HA ALA A 2 20.651 -8.131 2.707 1.00 73.53 H new ATOM 0 HB1 ALA A 2 19.023 -9.405 4.113 1.00 50.05 H new ATOM 0 HB2 ALA A 2 19.505 -10.296 2.650 1.00 50.05 H new ATOM 0 HB3 ALA A 2 20.201 -10.734 4.229 1.00 50.05 H new ATOM 18 N PRO A 3 21.823 -6.914 4.618 1.00 3.24 N ATOM 19 CA PRO A 3 22.048 -6.099 5.812 1.00 43.34 C ATOM 20 C PRO A 3 20.746 -5.894 6.595 1.00 53.33 C ATOM 21 O PRO A 3 20.640 -6.211 7.780 1.00 2.03 O ATOM 22 CB PRO A 3 22.638 -4.775 5.298 1.00 74.45 C ATOM 23 CG PRO A 3 22.155 -4.685 3.851 1.00 74.14 C ATOM 24 CD PRO A 3 22.108 -6.144 3.415 1.00 12.42 C ATOM 0 HA PRO A 3 22.729 -6.580 6.515 1.00 43.34 H new ATOM 0 HB2 PRO A 3 22.288 -3.928 5.888 1.00 74.45 H new ATOM 0 HB3 PRO A 3 23.727 -4.775 5.355 1.00 74.45 H new ATOM 0 HG2 PRO A 3 21.176 -4.211 3.781 1.00 74.14 H new ATOM 0 HG3 PRO A 3 22.837 -4.101 3.233 1.00 74.14 H new ATOM 0 HD2 PRO A 3 21.338 -6.301 2.660 1.00 12.42 H new ATOM 0 HD3 PRO A 3 23.056 -6.449 2.972 1.00 12.42 H new ATOM 32 N GLY A 4 19.711 -5.390 5.924 1.00 1.20 N ATOM 33 CA GLY A 4 18.474 -4.962 6.551 1.00 34.23 C ATOM 34 C GLY A 4 17.434 -6.073 6.599 1.00 72.55 C ATOM 35 O GLY A 4 16.262 -5.781 6.825 1.00 51.25 O ATOM 0 H GLY A 4 19.715 -5.268 4.911 1.00 1.20 H new ATOM 0 HA2 GLY A 4 18.683 -4.619 7.564 1.00 34.23 H new ATOM 0 HA3 GLY A 4 18.068 -4.111 6.004 1.00 34.23 H new ATOM 39 N GLY A 5 17.808 -7.322 6.311 1.00 12.21 N ATOM 40 CA GLY A 5 16.863 -8.418 6.198 1.00 33.24 C ATOM 41 C GLY A 5 16.257 -8.736 7.563 1.00 32.14 C ATOM 42 O GLY A 5 17.001 -8.970 8.520 1.00 72.12 O ATOM 0 H GLY A 5 18.778 -7.595 6.151 1.00 12.21 H new ATOM 0 HA2 GLY A 5 16.073 -8.156 5.494 1.00 33.24 H new ATOM 0 HA3 GLY A 5 17.364 -9.300 5.800 1.00 33.24 H new ATOM 46 N LYS A 6 14.922 -8.765 7.649 1.00 64.22 N ATOM 47 CA LYS A 6 14.190 -9.362 8.762 1.00 1.12 C ATOM 48 C LYS A 6 12.806 -9.811 8.286 1.00 4.43 C ATOM 49 O LYS A 6 11.807 -9.435 8.887 1.00 5.03 O ATOM 50 CB LYS A 6 14.112 -8.403 9.965 1.00 22.43 C ATOM 51 CG LYS A 6 13.761 -9.143 11.270 1.00 63.53 C ATOM 52 CD LYS A 6 14.961 -9.287 12.206 1.00 10.20 C ATOM 53 CE LYS A 6 16.097 -10.153 11.653 1.00 54.32 C ATOM 54 NZ LYS A 6 17.291 -10.058 12.515 1.00 13.33 N ATOM 0 H LYS A 6 14.314 -8.367 6.933 1.00 64.22 H new ATOM 0 HA LYS A 6 14.730 -10.242 9.111 1.00 1.12 H new ATOM 0 HB2 LYS A 6 15.067 -7.892 10.084 1.00 22.43 H new ATOM 0 HB3 LYS A 6 13.362 -7.636 9.770 1.00 22.43 H new ATOM 0 HG2 LYS A 6 12.965 -8.605 11.786 1.00 63.53 H new ATOM 0 HG3 LYS A 6 13.372 -10.132 11.029 1.00 63.53 H new ATOM 0 HD2 LYS A 6 15.353 -8.295 12.429 1.00 10.20 H new ATOM 0 HD3 LYS A 6 14.621 -9.715 13.149 1.00 10.20 H new ATOM 0 HE2 LYS A 6 15.771 -11.191 11.588 1.00 54.32 H new ATOM 0 HE3 LYS A 6 16.346 -9.833 10.641 1.00 54.32 H new ATOM 0 HZ1 LYS A 6 18.050 -10.652 12.124 1.00 13.33 H new ATOM 0 HZ2 LYS A 6 17.611 -9.069 12.557 1.00 13.33 H new ATOM 0 HZ3 LYS A 6 17.054 -10.386 13.473 1.00 13.33 H new ATOM 68 N SER A 7 12.744 -10.609 7.221 1.00 13.42 N ATOM 69 CA SER A 7 11.517 -11.193 6.689 1.00 25.54 C ATOM 70 C SER A 7 10.505 -10.140 6.204 1.00 70.22 C ATOM 71 O SER A 7 9.705 -9.621 6.985 1.00 24.43 O ATOM 72 CB SER A 7 10.947 -12.162 7.729 1.00 23.43 C ATOM 73 OG SER A 7 10.042 -13.036 7.110 1.00 30.23 O ATOM 0 H SER A 7 13.573 -10.874 6.689 1.00 13.42 H new ATOM 0 HA SER A 7 11.752 -11.754 5.784 1.00 25.54 H new ATOM 0 HB2 SER A 7 11.754 -12.728 8.195 1.00 23.43 H new ATOM 0 HB3 SER A 7 10.447 -11.607 8.523 1.00 23.43 H new ATOM 0 HG SER A 7 9.679 -13.657 7.776 1.00 30.23 H new ATOM 79 N ARG A 8 10.549 -9.801 4.906 1.00 21.53 N ATOM 80 CA ARG A 8 9.662 -8.805 4.293 1.00 73.34 C ATOM 81 C ARG A 8 9.245 -9.300 2.906 1.00 73.35 C ATOM 82 O ARG A 8 10.102 -9.682 2.108 1.00 70.54 O ATOM 83 CB ARG A 8 10.381 -7.447 4.187 1.00 71.51 C ATOM 84 CG ARG A 8 10.895 -6.896 5.530 1.00 12.30 C ATOM 85 CD ARG A 8 11.382 -5.450 5.358 1.00 5.12 C ATOM 86 NE ARG A 8 11.767 -4.862 6.659 1.00 74.31 N ATOM 87 CZ ARG A 8 11.635 -3.583 7.033 1.00 5.42 C ATOM 88 NH1 ARG A 8 11.242 -2.660 6.163 1.00 10.30 N ATOM 89 NH2 ARG A 8 11.937 -3.211 8.271 1.00 13.04 N ATOM 0 H ARG A 8 11.209 -10.216 4.248 1.00 21.53 H new ATOM 0 HA ARG A 8 8.775 -8.671 4.912 1.00 73.34 H new ATOM 0 HB2 ARG A 8 11.223 -7.547 3.503 1.00 71.51 H new ATOM 0 HB3 ARG A 8 9.698 -6.721 3.747 1.00 71.51 H new ATOM 0 HG2 ARG A 8 10.100 -6.934 6.275 1.00 12.30 H new ATOM 0 HG3 ARG A 8 11.709 -7.520 5.900 1.00 12.30 H new ATOM 0 HD2 ARG A 8 12.234 -5.428 4.679 1.00 5.12 H new ATOM 0 HD3 ARG A 8 10.595 -4.849 4.902 1.00 5.12 H new ATOM 0 HE ARG A 8 12.176 -5.498 7.344 1.00 74.31 H new ATOM 0 HH11 ARG A 8 11.037 -2.922 5.199 1.00 10.30 H new ATOM 0 HH12 ARG A 8 11.145 -1.689 6.459 1.00 10.30 H new ATOM 0 HH21 ARG A 8 12.272 -3.901 8.944 1.00 13.04 H new ATOM 0 HH22 ARG A 8 11.834 -2.235 8.550 1.00 13.04 H new ATOM 103 N ARG A 9 7.942 -9.318 2.601 1.00 52.23 N ATOM 104 CA ARG A 9 7.400 -9.811 1.322 1.00 33.54 C ATOM 105 C ARG A 9 6.410 -8.800 0.752 1.00 72.23 C ATOM 106 O ARG A 9 6.086 -7.827 1.436 1.00 4.22 O ATOM 107 CB ARG A 9 6.726 -11.177 1.524 1.00 45.21 C ATOM 108 CG ARG A 9 7.648 -12.237 2.131 1.00 1.24 C ATOM 109 CD ARG A 9 6.975 -13.614 2.112 1.00 30.11 C ATOM 110 NE ARG A 9 7.545 -14.517 3.119 1.00 23.41 N ATOM 111 CZ ARG A 9 6.981 -15.655 3.539 1.00 3.13 C ATOM 112 NH1 ARG A 9 5.941 -16.169 2.892 1.00 61.44 N ATOM 113 NH2 ARG A 9 7.456 -16.275 4.609 1.00 41.22 N ATOM 0 H ARG A 9 7.222 -8.987 3.242 1.00 52.23 H new ATOM 0 HA ARG A 9 8.218 -9.934 0.612 1.00 33.54 H new ATOM 0 HB2 ARG A 9 5.858 -11.051 2.171 1.00 45.21 H new ATOM 0 HB3 ARG A 9 6.358 -11.536 0.563 1.00 45.21 H new ATOM 0 HG2 ARG A 9 8.583 -12.276 1.572 1.00 1.24 H new ATOM 0 HG3 ARG A 9 7.900 -11.964 3.156 1.00 1.24 H new ATOM 0 HD2 ARG A 9 5.906 -13.498 2.292 1.00 30.11 H new ATOM 0 HD3 ARG A 9 7.085 -14.058 1.123 1.00 30.11 H new ATOM 0 HE ARG A 9 8.441 -14.256 3.531 1.00 23.41 H new ATOM 0 HH11 ARG A 9 5.567 -15.696 2.069 1.00 61.44 H new ATOM 0 HH12 ARG A 9 5.516 -17.037 3.218 1.00 61.44 H new ATOM 0 HH21 ARG A 9 8.252 -15.885 5.113 1.00 41.22 H new ATOM 0 HH22 ARG A 9 7.026 -17.143 4.929 1.00 41.22 H new ATOM 127 N ARG A 10 5.897 -8.992 -0.472 1.00 45.11 N ATOM 128 CA ARG A 10 5.079 -7.969 -1.143 1.00 72.44 C ATOM 129 C ARG A 10 4.032 -8.544 -2.112 1.00 35.40 C ATOM 130 O ARG A 10 3.927 -8.067 -3.242 1.00 24.13 O ATOM 131 CB ARG A 10 6.017 -6.939 -1.817 1.00 71.32 C ATOM 132 CG ARG A 10 6.911 -7.503 -2.946 1.00 75.05 C ATOM 133 CD ARG A 10 6.699 -6.706 -4.238 1.00 73.44 C ATOM 134 NE ARG A 10 7.458 -7.239 -5.383 1.00 34.30 N ATOM 135 CZ ARG A 10 7.265 -6.858 -6.650 1.00 42.33 C ATOM 136 NH1 ARG A 10 6.247 -6.071 -6.969 1.00 61.45 N ATOM 137 NH2 ARG A 10 8.093 -7.257 -7.605 1.00 0.21 N ATOM 0 H ARG A 10 6.033 -9.843 -1.017 1.00 45.11 H new ATOM 0 HA ARG A 10 4.480 -7.467 -0.384 1.00 72.44 H new ATOM 0 HB2 ARG A 10 5.410 -6.131 -2.225 1.00 71.32 H new ATOM 0 HB3 ARG A 10 6.658 -6.500 -1.052 1.00 71.32 H new ATOM 0 HG2 ARG A 10 7.958 -7.455 -2.648 1.00 75.05 H new ATOM 0 HG3 ARG A 10 6.676 -8.554 -3.116 1.00 75.05 H new ATOM 0 HD2 ARG A 10 5.637 -6.703 -4.485 1.00 73.44 H new ATOM 0 HD3 ARG A 10 6.990 -5.669 -4.069 1.00 73.44 H new ATOM 0 HE ARG A 10 8.174 -7.941 -5.198 1.00 34.30 H new ATOM 0 HH11 ARG A 10 5.603 -5.751 -6.245 1.00 61.45 H new ATOM 0 HH12 ARG A 10 6.107 -5.785 -7.938 1.00 61.45 H new ATOM 0 HH21 ARG A 10 8.884 -7.859 -7.376 1.00 0.21 H new ATOM 0 HH22 ARG A 10 7.939 -6.962 -8.569 1.00 0.21 H new ATOM 151 N ARG A 11 3.285 -9.591 -1.732 1.00 3.51 N ATOM 152 CA ARG A 11 2.288 -10.178 -2.635 1.00 24.43 C ATOM 153 C ARG A 11 1.084 -10.735 -1.867 1.00 42.41 C ATOM 154 O ARG A 11 0.853 -11.948 -1.900 1.00 34.33 O ATOM 155 CB ARG A 11 3.002 -11.221 -3.527 1.00 51.23 C ATOM 156 CG ARG A 11 2.152 -11.738 -4.701 1.00 60.45 C ATOM 157 CD ARG A 11 2.312 -13.252 -4.919 1.00 0.23 C ATOM 158 NE ARG A 11 3.626 -13.603 -5.485 1.00 73.14 N ATOM 159 CZ ARG A 11 3.953 -14.791 -6.008 1.00 31.11 C ATOM 160 NH1 ARG A 11 3.145 -15.840 -5.923 1.00 35.10 N ATOM 161 NH2 ARG A 11 5.113 -14.926 -6.633 1.00 32.22 N ATOM 0 H ARG A 11 3.351 -10.042 -0.820 1.00 3.51 H new ATOM 0 HA ARG A 11 1.861 -9.412 -3.283 1.00 24.43 H new ATOM 0 HB2 ARG A 11 3.916 -10.778 -3.923 1.00 51.23 H new ATOM 0 HB3 ARG A 11 3.300 -12.068 -2.909 1.00 51.23 H new ATOM 0 HG2 ARG A 11 1.103 -11.509 -4.514 1.00 60.45 H new ATOM 0 HG3 ARG A 11 2.436 -11.211 -5.612 1.00 60.45 H new ATOM 0 HD2 ARG A 11 2.179 -13.769 -3.969 1.00 0.23 H new ATOM 0 HD3 ARG A 11 1.526 -13.605 -5.587 1.00 0.23 H new ATOM 0 HE ARG A 11 4.346 -12.881 -5.478 1.00 73.14 H new ATOM 0 HH11 ARG A 11 2.246 -15.754 -5.449 1.00 35.10 H new ATOM 0 HH12 ARG A 11 3.423 -16.732 -6.332 1.00 35.10 H new ATOM 0 HH21 ARG A 11 5.746 -14.130 -6.712 1.00 32.22 H new ATOM 0 HH22 ARG A 11 5.374 -15.826 -7.036 1.00 32.22 H new ATOM 175 N THR A 12 0.297 -9.893 -1.196 1.00 43.14 N ATOM 176 CA THR A 12 -0.967 -10.313 -0.576 1.00 33.35 C ATOM 177 C THR A 12 -2.013 -10.669 -1.655 1.00 23.01 C ATOM 178 O THR A 12 -1.765 -10.474 -2.852 1.00 41.20 O ATOM 179 CB THR A 12 -1.502 -9.249 0.412 1.00 25.25 C ATOM 180 OG1 THR A 12 -0.529 -8.272 0.764 1.00 12.54 O ATOM 181 CG2 THR A 12 -1.974 -9.949 1.695 1.00 2.14 C ATOM 0 H THR A 12 0.513 -8.905 -1.066 1.00 43.14 H new ATOM 0 HA THR A 12 -0.770 -11.212 0.008 1.00 33.35 H new ATOM 0 HB THR A 12 -2.319 -8.732 -0.091 1.00 25.25 H new ATOM 0 HG1 THR A 12 -0.924 -7.627 1.387 1.00 12.54 H new ATOM 0 HG21 THR A 12 -2.353 -9.206 2.397 1.00 2.14 H new ATOM 0 HG22 THR A 12 -2.767 -10.657 1.453 1.00 2.14 H new ATOM 0 HG23 THR A 12 -1.138 -10.482 2.147 1.00 2.14 H new ATOM 189 N ALA A 13 -3.175 -11.203 -1.263 1.00 64.02 N ATOM 190 CA ALA A 13 -4.202 -11.760 -2.148 1.00 21.15 C ATOM 191 C ALA A 13 -5.092 -10.712 -2.812 1.00 20.02 C ATOM 192 O ALA A 13 -6.289 -10.930 -3.009 1.00 44.33 O ATOM 193 CB ALA A 13 -5.057 -12.747 -1.346 1.00 23.04 C ATOM 0 H ALA A 13 -3.436 -11.261 -0.279 1.00 64.02 H new ATOM 0 HA ALA A 13 -3.682 -12.259 -2.966 1.00 21.15 H new ATOM 0 HB1 ALA A 13 -5.826 -13.170 -1.992 1.00 23.04 H new ATOM 0 HB2 ALA A 13 -4.425 -13.548 -0.962 1.00 23.04 H new ATOM 0 HB3 ALA A 13 -5.529 -12.226 -0.513 1.00 23.04 H new ATOM 199 N PHE A 14 -4.521 -9.581 -3.187 1.00 20.05 N ATOM 200 CA PHE A 14 -5.216 -8.562 -3.937 1.00 21.21 C ATOM 201 C PHE A 14 -5.125 -9.019 -5.391 1.00 60.24 C ATOM 202 O PHE A 14 -4.055 -9.436 -5.843 1.00 60.44 O ATOM 203 CB PHE A 14 -4.593 -7.196 -3.582 1.00 33.01 C ATOM 204 CG PHE A 14 -5.027 -6.597 -2.250 1.00 74.43 C ATOM 205 CD1 PHE A 14 -5.508 -7.379 -1.187 1.00 54.24 C ATOM 206 CD2 PHE A 14 -4.982 -5.209 -2.082 1.00 25.05 C ATOM 207 CE1 PHE A 14 -5.932 -6.802 0.012 1.00 14.25 C ATOM 208 CE2 PHE A 14 -5.326 -4.629 -0.847 1.00 1.45 C ATOM 209 CZ PHE A 14 -5.810 -5.420 0.199 1.00 70.21 C ATOM 0 H PHE A 14 -3.551 -9.346 -2.975 1.00 20.05 H new ATOM 0 HA PHE A 14 -6.274 -8.428 -3.710 1.00 21.21 H new ATOM 0 HB2 PHE A 14 -3.508 -7.303 -3.575 1.00 33.01 H new ATOM 0 HB3 PHE A 14 -4.838 -6.489 -4.374 1.00 33.01 H new ATOM 0 HD1 PHE A 14 -5.551 -8.452 -1.300 1.00 54.24 H new ATOM 0 HD2 PHE A 14 -4.681 -4.578 -2.906 1.00 25.05 H new ATOM 0 HE1 PHE A 14 -6.352 -7.420 0.792 1.00 14.25 H new ATOM 0 HE2 PHE A 14 -5.215 -3.564 -0.706 1.00 1.45 H new ATOM 0 HZ PHE A 14 -6.087 -4.970 1.141 1.00 70.21 H new ATOM 219 N THR A 15 -6.254 -9.018 -6.088 1.00 72.44 N ATOM 220 CA THR A 15 -6.319 -9.223 -7.532 1.00 23.35 C ATOM 221 C THR A 15 -6.067 -7.878 -8.193 1.00 13.11 C ATOM 222 O THR A 15 -6.239 -6.851 -7.544 1.00 44.12 O ATOM 223 CB THR A 15 -7.685 -9.761 -7.991 1.00 33.21 C ATOM 224 OG1 THR A 15 -8.779 -9.026 -7.482 1.00 23.35 O ATOM 225 CG2 THR A 15 -7.915 -11.196 -7.519 1.00 43.40 C ATOM 0 H THR A 15 -7.168 -8.872 -5.659 1.00 72.44 H new ATOM 0 HA THR A 15 -5.573 -9.967 -7.813 1.00 23.35 H new ATOM 0 HB THR A 15 -7.644 -9.683 -9.077 1.00 33.21 H new ATOM 0 HG1 THR A 15 -9.616 -9.416 -7.811 1.00 23.35 H new ATOM 0 HG21 THR A 15 -8.890 -11.540 -7.863 1.00 43.40 H new ATOM 0 HG22 THR A 15 -7.138 -11.842 -7.927 1.00 43.40 H new ATOM 0 HG23 THR A 15 -7.881 -11.231 -6.430 1.00 43.40 H new ATOM 233 N SER A 16 -5.709 -7.849 -9.473 1.00 2.13 N ATOM 234 CA SER A 16 -5.299 -6.626 -10.158 1.00 41.54 C ATOM 235 C SER A 16 -6.301 -5.478 -10.001 1.00 52.50 C ATOM 236 O SER A 16 -5.921 -4.325 -9.796 1.00 32.11 O ATOM 237 CB SER A 16 -5.022 -6.993 -11.608 1.00 71.40 C ATOM 238 OG SER A 16 -6.165 -7.122 -12.437 1.00 51.54 O ATOM 0 H SER A 16 -5.695 -8.677 -10.068 1.00 2.13 H new ATOM 0 HA SER A 16 -4.393 -6.230 -9.699 1.00 41.54 H new ATOM 0 HB2 SER A 16 -4.368 -6.234 -12.037 1.00 71.40 H new ATOM 0 HB3 SER A 16 -4.473 -7.935 -11.627 1.00 71.40 H new ATOM 0 HG SER A 16 -6.896 -7.526 -11.925 1.00 51.54 H new ATOM 244 N GLU A 17 -7.578 -5.838 -10.007 1.00 61.11 N ATOM 245 CA GLU A 17 -8.756 -5.013 -9.843 1.00 71.20 C ATOM 246 C GLU A 17 -8.870 -4.397 -8.448 1.00 42.50 C ATOM 247 O GLU A 17 -9.654 -3.468 -8.253 1.00 14.15 O ATOM 248 CB GLU A 17 -9.964 -5.922 -10.066 1.00 0.43 C ATOM 249 CG GLU A 17 -10.028 -6.508 -11.490 1.00 71.13 C ATOM 250 CD GLU A 17 -9.497 -7.944 -11.617 1.00 53.22 C ATOM 251 OE1 GLU A 17 -8.308 -8.195 -11.285 1.00 62.42 O ATOM 252 OE2 GLU A 17 -10.271 -8.825 -12.055 1.00 14.24 O ATOM 0 H GLU A 17 -7.834 -6.816 -10.141 1.00 61.11 H new ATOM 0 HA GLU A 17 -8.700 -4.186 -10.551 1.00 71.20 H new ATOM 0 HB2 GLU A 17 -9.934 -6.739 -9.345 1.00 0.43 H new ATOM 0 HB3 GLU A 17 -10.876 -5.358 -9.871 1.00 0.43 H new ATOM 0 HG2 GLU A 17 -11.063 -6.486 -11.831 1.00 71.13 H new ATOM 0 HG3 GLU A 17 -9.458 -5.864 -12.159 1.00 71.13 H new ATOM 259 N GLN A 18 -8.122 -4.908 -7.476 1.00 61.43 N ATOM 260 CA GLN A 18 -7.951 -4.365 -6.127 1.00 72.44 C ATOM 261 C GLN A 18 -6.606 -3.653 -5.947 1.00 13.11 C ATOM 262 O GLN A 18 -6.507 -2.860 -5.017 1.00 42.51 O ATOM 263 CB GLN A 18 -8.145 -5.414 -5.019 1.00 51.11 C ATOM 264 CG GLN A 18 -9.112 -6.518 -5.428 1.00 22.12 C ATOM 265 CD GLN A 18 -9.540 -7.414 -4.279 1.00 13.42 C ATOM 266 OE1 GLN A 18 -8.748 -8.194 -3.756 1.00 44.44 O ATOM 267 NE2 GLN A 18 -10.796 -7.364 -3.876 1.00 73.12 N ATOM 0 H GLN A 18 -7.585 -5.764 -7.614 1.00 61.43 H new ATOM 0 HA GLN A 18 -8.747 -3.628 -6.022 1.00 72.44 H new ATOM 0 HB2 GLN A 18 -7.181 -5.855 -4.767 1.00 51.11 H new ATOM 0 HB3 GLN A 18 -8.517 -4.924 -4.119 1.00 51.11 H new ATOM 0 HG2 GLN A 18 -9.998 -6.066 -5.873 1.00 22.12 H new ATOM 0 HG3 GLN A 18 -8.645 -7.130 -6.199 1.00 22.12 H new ATOM 0 HE21 GLN A 18 -11.447 -6.713 -4.316 1.00 73.12 H new ATOM 0 HE22 GLN A 18 -11.115 -7.976 -3.125 1.00 73.12 H new ATOM 276 N LEU A 19 -5.603 -3.891 -6.802 1.00 3.54 N ATOM 277 CA LEU A 19 -4.351 -3.142 -6.794 1.00 74.12 C ATOM 278 C LEU A 19 -4.471 -1.812 -7.552 1.00 63.03 C ATOM 279 O LEU A 19 -3.643 -0.937 -7.332 1.00 61.43 O ATOM 280 CB LEU A 19 -3.210 -3.964 -7.433 1.00 75.44 C ATOM 281 CG LEU A 19 -2.679 -5.121 -6.565 1.00 12.53 C ATOM 282 CD1 LEU A 19 -3.496 -6.372 -6.655 1.00 20.14 C ATOM 283 CD2 LEU A 19 -1.297 -5.596 -7.019 1.00 21.05 C ATOM 0 H LEU A 19 -5.643 -4.614 -7.521 1.00 3.54 H new ATOM 0 HA LEU A 19 -4.125 -2.936 -5.748 1.00 74.12 H new ATOM 0 HB2 LEU A 19 -3.562 -4.372 -8.380 1.00 75.44 H new ATOM 0 HB3 LEU A 19 -2.383 -3.292 -7.663 1.00 75.44 H new ATOM 0 HG LEU A 19 -2.693 -4.691 -5.564 1.00 12.53 H new ATOM 0 HD11 LEU A 19 -3.058 -7.139 -6.016 1.00 20.14 H new ATOM 0 HD12 LEU A 19 -4.515 -6.165 -6.328 1.00 20.14 H new ATOM 0 HD13 LEU A 19 -3.510 -6.724 -7.687 1.00 20.14 H new ATOM 0 HD21 LEU A 19 -0.964 -6.412 -6.378 1.00 21.05 H new ATOM 0 HD22 LEU A 19 -1.353 -5.944 -8.050 1.00 21.05 H new ATOM 0 HD23 LEU A 19 -0.589 -4.770 -6.953 1.00 21.05 H new ATOM 295 N LEU A 20 -5.416 -1.648 -8.481 1.00 14.13 N ATOM 296 CA LEU A 20 -5.409 -0.543 -9.439 1.00 13.25 C ATOM 297 C LEU A 20 -5.763 0.765 -8.741 1.00 43.51 C ATOM 298 O LEU A 20 -4.962 1.697 -8.716 1.00 53.42 O ATOM 299 CB LEU A 20 -6.369 -0.852 -10.603 1.00 55.12 C ATOM 300 CG LEU A 20 -5.950 -0.213 -11.939 1.00 51.51 C ATOM 301 CD1 LEU A 20 -7.049 -0.489 -12.964 1.00 73.22 C ATOM 302 CD2 LEU A 20 -5.684 1.296 -11.879 1.00 40.12 C ATOM 0 H LEU A 20 -6.209 -2.280 -8.589 1.00 14.13 H new ATOM 0 HA LEU A 20 -4.408 -0.429 -9.855 1.00 13.25 H new ATOM 0 HB2 LEU A 20 -6.433 -1.932 -10.732 1.00 55.12 H new ATOM 0 HB3 LEU A 20 -7.368 -0.502 -10.341 1.00 55.12 H new ATOM 0 HG LEU A 20 -4.997 -0.665 -12.214 1.00 51.51 H new ATOM 0 HD11 LEU A 20 -6.774 -0.045 -13.921 1.00 73.22 H new ATOM 0 HD12 LEU A 20 -7.171 -1.565 -13.085 1.00 73.22 H new ATOM 0 HD13 LEU A 20 -7.987 -0.054 -12.618 1.00 73.22 H new ATOM 0 HD21 LEU A 20 -5.395 1.654 -12.867 1.00 40.12 H new ATOM 0 HD22 LEU A 20 -6.588 1.812 -11.556 1.00 40.12 H new ATOM 0 HD23 LEU A 20 -4.879 1.496 -11.171 1.00 40.12 H new ATOM 314 N GLU A 21 -6.951 0.805 -8.154 1.00 64.14 N ATOM 315 CA GLU A 21 -7.556 1.894 -7.404 1.00 5.22 C ATOM 316 C GLU A 21 -6.593 2.322 -6.283 1.00 3.24 C ATOM 317 O GLU A 21 -6.331 3.506 -6.072 1.00 71.24 O ATOM 318 CB GLU A 21 -8.907 1.380 -6.865 1.00 32.04 C ATOM 319 CG GLU A 21 -9.878 0.822 -7.933 1.00 11.14 C ATOM 320 CD GLU A 21 -10.415 1.873 -8.896 1.00 62.44 C ATOM 321 OE1 GLU A 21 -11.475 2.476 -8.606 1.00 4.25 O ATOM 322 OE2 GLU A 21 -9.802 2.101 -9.958 1.00 4.55 O ATOM 0 H GLU A 21 -7.574 -0.002 -8.196 1.00 64.14 H new ATOM 0 HA GLU A 21 -7.738 2.775 -8.020 1.00 5.22 H new ATOM 0 HB2 GLU A 21 -8.712 0.598 -6.131 1.00 32.04 H new ATOM 0 HB3 GLU A 21 -9.403 2.195 -6.338 1.00 32.04 H new ATOM 0 HG2 GLU A 21 -9.366 0.048 -8.505 1.00 11.14 H new ATOM 0 HG3 GLU A 21 -10.718 0.343 -7.430 1.00 11.14 H new ATOM 329 N LEU A 22 -5.977 1.330 -5.634 1.00 30.41 N ATOM 330 CA LEU A 22 -4.923 1.463 -4.633 1.00 45.54 C ATOM 331 C LEU A 22 -3.737 2.283 -5.135 1.00 52.33 C ATOM 332 O LEU A 22 -3.144 3.046 -4.369 1.00 11.21 O ATOM 333 CB LEU A 22 -4.446 0.046 -4.251 1.00 11.23 C ATOM 334 CG LEU A 22 -4.870 -0.442 -2.862 1.00 10.34 C ATOM 335 CD1 LEU A 22 -6.373 -0.278 -2.610 1.00 65.22 C ATOM 336 CD2 LEU A 22 -4.495 -1.919 -2.701 1.00 70.44 C ATOM 0 H LEU A 22 -6.218 0.354 -5.806 1.00 30.41 H new ATOM 0 HA LEU A 22 -5.331 1.993 -3.772 1.00 45.54 H new ATOM 0 HB2 LEU A 22 -4.822 -0.657 -4.994 1.00 11.23 H new ATOM 0 HB3 LEU A 22 -3.358 0.020 -4.309 1.00 11.23 H new ATOM 0 HG LEU A 22 -4.344 0.174 -2.133 1.00 10.34 H new ATOM 0 HD11 LEU A 22 -6.616 -0.640 -1.611 1.00 65.22 H new ATOM 0 HD12 LEU A 22 -6.643 0.775 -2.690 1.00 65.22 H new ATOM 0 HD13 LEU A 22 -6.931 -0.852 -3.350 1.00 65.22 H new ATOM 0 HD21 LEU A 22 -4.797 -2.265 -1.713 1.00 70.44 H new ATOM 0 HD22 LEU A 22 -5.004 -2.509 -3.463 1.00 70.44 H new ATOM 0 HD23 LEU A 22 -3.417 -2.035 -2.812 1.00 70.44 H new ATOM 348 N ARG A 23 -3.344 2.104 -6.395 1.00 61.30 N ATOM 349 CA ARG A 23 -2.194 2.778 -6.974 1.00 25.04 C ATOM 350 C ARG A 23 -2.627 4.139 -7.524 1.00 2.15 C ATOM 351 O ARG A 23 -1.781 5.032 -7.608 1.00 30.32 O ATOM 352 CB ARG A 23 -1.576 1.891 -8.067 1.00 25.02 C ATOM 353 CG ARG A 23 -0.938 0.604 -7.504 1.00 24.43 C ATOM 354 CD ARG A 23 -0.747 -0.424 -8.626 1.00 15.33 C ATOM 355 NE ARG A 23 0.271 -1.442 -8.302 1.00 4.51 N ATOM 356 CZ ARG A 23 0.377 -2.656 -8.860 1.00 41.43 C ATOM 357 NH1 ARG A 23 -0.536 -3.107 -9.713 1.00 40.21 N ATOM 358 NH2 ARG A 23 1.404 -3.438 -8.564 1.00 2.14 N ATOM 0 H ARG A 23 -3.823 1.480 -7.045 1.00 61.30 H new ATOM 0 HA ARG A 23 -1.433 2.950 -6.213 1.00 25.04 H new ATOM 0 HB2 ARG A 23 -2.347 1.623 -8.789 1.00 25.02 H new ATOM 0 HB3 ARG A 23 -0.819 2.461 -8.606 1.00 25.02 H new ATOM 0 HG2 ARG A 23 0.023 0.836 -7.045 1.00 24.43 H new ATOM 0 HG3 ARG A 23 -1.572 0.187 -6.722 1.00 24.43 H new ATOM 0 HD2 ARG A 23 -1.698 -0.918 -8.825 1.00 15.33 H new ATOM 0 HD3 ARG A 23 -0.459 0.093 -9.541 1.00 15.33 H new ATOM 0 HE ARG A 23 0.957 -1.199 -7.587 1.00 4.51 H new ATOM 0 HH11 ARG A 23 -1.338 -2.526 -9.956 1.00 40.21 H new ATOM 0 HH12 ARG A 23 -0.435 -4.034 -10.125 1.00 40.21 H new ATOM 0 HH21 ARG A 23 2.117 -3.117 -7.910 1.00 2.14 H new ATOM 0 HH22 ARG A 23 1.482 -4.361 -8.990 1.00 2.14 H new ATOM 372 N LYS A 24 -3.916 4.340 -7.852 1.00 72.14 N ATOM 373 CA LYS A 24 -4.435 5.663 -8.210 1.00 52.30 C ATOM 374 C LYS A 24 -4.195 6.597 -7.029 1.00 73.04 C ATOM 375 O LYS A 24 -3.555 7.641 -7.177 1.00 62.30 O ATOM 376 CB LYS A 24 -5.940 5.671 -8.567 1.00 74.00 C ATOM 377 CG LYS A 24 -6.361 4.712 -9.688 1.00 43.34 C ATOM 378 CD LYS A 24 -7.848 4.839 -10.049 1.00 11.52 C ATOM 379 CE LYS A 24 -8.156 6.064 -10.919 1.00 71.01 C ATOM 380 NZ LYS A 24 -9.604 6.188 -11.188 1.00 45.50 N ATOM 0 H LYS A 24 -4.615 3.598 -7.875 1.00 72.14 H new ATOM 0 HA LYS A 24 -3.909 5.988 -9.108 1.00 52.30 H new ATOM 0 HB2 LYS A 24 -6.509 5.425 -7.670 1.00 74.00 H new ATOM 0 HB3 LYS A 24 -6.221 6.684 -8.855 1.00 74.00 H new ATOM 0 HG2 LYS A 24 -5.758 4.909 -10.574 1.00 43.34 H new ATOM 0 HG3 LYS A 24 -6.152 3.687 -9.381 1.00 43.34 H new ATOM 0 HD2 LYS A 24 -8.166 3.939 -10.575 1.00 11.52 H new ATOM 0 HD3 LYS A 24 -8.434 4.896 -9.132 1.00 11.52 H new ATOM 0 HE2 LYS A 24 -7.799 6.965 -10.420 1.00 71.01 H new ATOM 0 HE3 LYS A 24 -7.615 5.987 -11.862 1.00 71.01 H new ATOM 0 HZ1 LYS A 24 -9.777 7.026 -11.779 1.00 45.50 H new ATOM 0 HZ2 LYS A 24 -9.939 5.339 -11.686 1.00 45.50 H new ATOM 0 HZ3 LYS A 24 -10.117 6.286 -10.289 1.00 45.50 H new ATOM 394 N GLU A 25 -4.691 6.177 -5.864 1.00 32.24 N ATOM 395 CA GLU A 25 -4.620 6.878 -4.590 1.00 33.11 C ATOM 396 C GLU A 25 -3.171 7.181 -4.195 1.00 72.31 C ATOM 397 O GLU A 25 -2.896 8.250 -3.644 1.00 32.22 O ATOM 398 CB GLU A 25 -5.312 6.000 -3.524 1.00 45.40 C ATOM 399 CG GLU A 25 -6.725 6.484 -3.165 1.00 52.52 C ATOM 400 CD GLU A 25 -6.730 7.775 -2.336 1.00 65.32 C ATOM 401 OE1 GLU A 25 -5.820 7.937 -1.490 1.00 41.13 O ATOM 402 OE2 GLU A 25 -7.675 8.588 -2.498 1.00 2.51 O ATOM 0 H GLU A 25 -5.181 5.286 -5.785 1.00 32.24 H new ATOM 0 HA GLU A 25 -5.127 7.840 -4.672 1.00 33.11 H new ATOM 0 HB2 GLU A 25 -5.368 4.974 -3.888 1.00 45.40 H new ATOM 0 HB3 GLU A 25 -4.700 5.985 -2.622 1.00 45.40 H new ATOM 0 HG2 GLU A 25 -7.290 6.647 -4.083 1.00 52.52 H new ATOM 0 HG3 GLU A 25 -7.240 5.701 -2.609 1.00 52.52 H new ATOM 409 N PHE A 26 -2.247 6.251 -4.463 1.00 72.11 N ATOM 410 CA PHE A 26 -0.840 6.375 -4.096 1.00 45.11 C ATOM 411 C PHE A 26 -0.179 7.584 -4.760 1.00 5.55 C ATOM 412 O PHE A 26 0.715 8.201 -4.180 1.00 24.43 O ATOM 413 CB PHE A 26 -0.086 5.097 -4.498 1.00 30.15 C ATOM 414 CG PHE A 26 1.296 4.989 -3.882 1.00 5.31 C ATOM 415 CD1 PHE A 26 1.410 4.502 -2.570 1.00 24.05 C ATOM 416 CD2 PHE A 26 2.455 5.392 -4.583 1.00 41.10 C ATOM 417 CE1 PHE A 26 2.670 4.408 -1.962 1.00 54.33 C ATOM 418 CE2 PHE A 26 3.726 5.279 -3.980 1.00 14.32 C ATOM 419 CZ PHE A 26 3.828 4.772 -2.675 1.00 21.22 C ATOM 0 H PHE A 26 -2.463 5.380 -4.948 1.00 72.11 H new ATOM 0 HA PHE A 26 -0.793 6.518 -3.017 1.00 45.11 H new ATOM 0 HB2 PHE A 26 -0.675 4.229 -4.202 1.00 30.15 H new ATOM 0 HB3 PHE A 26 0.006 5.065 -5.584 1.00 30.15 H new ATOM 0 HD1 PHE A 26 0.526 4.199 -2.028 1.00 24.05 H new ATOM 0 HD2 PHE A 26 2.368 5.788 -5.584 1.00 41.10 H new ATOM 0 HE1 PHE A 26 2.752 4.056 -0.944 1.00 54.33 H new ATOM 0 HE2 PHE A 26 4.613 5.580 -4.518 1.00 14.32 H new ATOM 0 HZ PHE A 26 4.799 4.661 -2.216 1.00 21.22 H new ATOM 429 N HIS A 27 -0.585 7.910 -5.986 1.00 52.32 N ATOM 430 CA HIS A 27 0.060 8.918 -6.814 1.00 51.43 C ATOM 431 C HIS A 27 -0.556 10.310 -6.581 1.00 61.20 C ATOM 432 O HIS A 27 -0.363 11.210 -7.401 1.00 61.32 O ATOM 433 CB HIS A 27 -0.010 8.446 -8.279 1.00 65.01 C ATOM 434 CG HIS A 27 1.006 9.056 -9.220 1.00 11.54 C ATOM 435 ND1 HIS A 27 0.744 9.486 -10.502 1.00 1.54 N ATOM 436 CD2 HIS A 27 2.361 9.139 -9.028 1.00 65.44 C ATOM 437 CE1 HIS A 27 1.916 9.812 -11.073 1.00 3.23 C ATOM 438 NE2 HIS A 27 2.931 9.628 -10.210 1.00 53.54 N ATOM 0 H HIS A 27 -1.387 7.470 -6.437 1.00 52.32 H new ATOM 0 HA HIS A 27 1.109 9.030 -6.542 1.00 51.43 H new ATOM 0 HB2 HIS A 27 0.111 7.363 -8.297 1.00 65.01 H new ATOM 0 HB3 HIS A 27 -1.007 8.662 -8.663 1.00 65.01 H new ATOM 0 HD2 HIS A 27 2.894 8.875 -8.126 1.00 65.44 H new ATOM 0 HE1 HIS A 27 2.027 10.172 -12.085 1.00 3.23 H new ATOM 0 HE2 HIS A 27 3.920 9.809 -10.382 1.00 53.54 H new ATOM 446 N CYS A 28 -1.330 10.518 -5.503 1.00 62.13 N ATOM 447 CA CYS A 28 -1.940 11.816 -5.236 1.00 10.24 C ATOM 448 C CYS A 28 -2.108 12.105 -3.740 1.00 21.05 C ATOM 449 O CYS A 28 -1.614 13.135 -3.262 1.00 65.43 O ATOM 450 CB CYS A 28 -3.269 11.913 -5.992 1.00 50.14 C ATOM 451 SG CYS A 28 -3.657 13.656 -6.301 1.00 74.43 S ATOM 0 H CYS A 28 -1.543 9.802 -4.809 1.00 62.13 H new ATOM 0 HA CYS A 28 -1.263 12.589 -5.599 1.00 10.24 H new ATOM 0 HB2 CYS A 28 -3.204 11.370 -6.935 1.00 50.14 H new ATOM 0 HB3 CYS A 28 -4.066 11.449 -5.411 1.00 50.14 H new ATOM 0 HG CYS A 28 -4.783 13.742 -6.944 1.00 74.43 H new ATOM 457 N LYS A 29 -2.801 11.243 -2.992 1.00 73.22 N ATOM 458 CA LYS A 29 -2.711 11.236 -1.533 1.00 54.50 C ATOM 459 C LYS A 29 -1.418 10.498 -1.162 1.00 32.15 C ATOM 460 O LYS A 29 -0.662 10.045 -2.020 1.00 73.02 O ATOM 461 CB LYS A 29 -3.974 10.588 -0.923 1.00 34.45 C ATOM 462 CG LYS A 29 -5.032 11.579 -0.415 1.00 42.33 C ATOM 463 CD LYS A 29 -6.244 10.829 0.165 1.00 34.34 C ATOM 464 CE LYS A 29 -7.331 11.787 0.684 1.00 11.15 C ATOM 465 NZ LYS A 29 -8.692 11.385 0.259 1.00 13.12 N ATOM 0 H LYS A 29 -3.432 10.539 -3.376 1.00 73.22 H new ATOM 0 HA LYS A 29 -2.670 12.246 -1.125 1.00 54.50 H new ATOM 0 HB2 LYS A 29 -4.432 9.944 -1.674 1.00 34.45 H new ATOM 0 HB3 LYS A 29 -3.671 9.947 -0.095 1.00 34.45 H new ATOM 0 HG2 LYS A 29 -4.597 12.223 0.349 1.00 42.33 H new ATOM 0 HG3 LYS A 29 -5.354 12.225 -1.232 1.00 42.33 H new ATOM 0 HD2 LYS A 29 -6.669 10.182 -0.602 1.00 34.34 H new ATOM 0 HD3 LYS A 29 -5.913 10.183 0.979 1.00 34.34 H new ATOM 0 HE2 LYS A 29 -7.290 11.823 1.773 1.00 11.15 H new ATOM 0 HE3 LYS A 29 -7.124 12.795 0.324 1.00 11.15 H new ATOM 0 HZ1 LYS A 29 -9.391 12.032 0.676 1.00 13.12 H new ATOM 0 HZ2 LYS A 29 -8.758 11.425 -0.778 1.00 13.12 H new ATOM 0 HZ3 LYS A 29 -8.884 10.415 0.581 1.00 13.12 H new ATOM 479 N LYS A 30 -1.153 10.402 0.139 1.00 25.15 N ATOM 480 CA LYS A 30 -0.064 9.612 0.719 1.00 24.41 C ATOM 481 C LYS A 30 -0.564 8.724 1.851 1.00 65.04 C ATOM 482 O LYS A 30 0.094 7.730 2.185 1.00 34.45 O ATOM 483 CB LYS A 30 1.085 10.506 1.219 1.00 11.12 C ATOM 484 CG LYS A 30 0.644 11.749 2.010 1.00 53.41 C ATOM 485 CD LYS A 30 0.340 12.957 1.097 1.00 71.01 C ATOM 486 CE LYS A 30 0.809 14.287 1.701 1.00 63.21 C ATOM 487 NZ LYS A 30 0.811 15.370 0.693 1.00 24.43 N ATOM 0 H LYS A 30 -1.708 10.887 0.844 1.00 25.15 H new ATOM 0 HA LYS A 30 0.321 8.976 -0.078 1.00 24.41 H new ATOM 0 HB2 LYS A 30 1.743 9.908 1.849 1.00 11.12 H new ATOM 0 HB3 LYS A 30 1.673 10.830 0.360 1.00 11.12 H new ATOM 0 HG2 LYS A 30 -0.244 11.507 2.594 1.00 53.41 H new ATOM 0 HG3 LYS A 30 1.427 12.021 2.718 1.00 53.41 H new ATOM 0 HD2 LYS A 30 0.825 12.809 0.132 1.00 71.01 H new ATOM 0 HD3 LYS A 30 -0.733 13.005 0.910 1.00 71.01 H new ATOM 0 HE2 LYS A 30 0.157 14.561 2.530 1.00 63.21 H new ATOM 0 HE3 LYS A 30 1.812 14.168 2.111 1.00 63.21 H new ATOM 0 HZ1 LYS A 30 1.133 16.255 1.135 1.00 24.43 H new ATOM 0 HZ2 LYS A 30 1.453 15.118 -0.086 1.00 24.43 H new ATOM 0 HZ3 LYS A 30 -0.151 15.499 0.321 1.00 24.43 H new ATOM 501 N TYR A 31 -1.694 9.066 2.470 1.00 41.41 N ATOM 502 CA TYR A 31 -2.313 8.250 3.489 1.00 45.51 C ATOM 503 C TYR A 31 -3.821 8.461 3.461 1.00 11.53 C ATOM 504 O TYR A 31 -4.294 9.579 3.244 1.00 54.23 O ATOM 505 CB TYR A 31 -1.703 8.520 4.874 1.00 62.50 C ATOM 506 CG TYR A 31 -1.340 9.963 5.177 1.00 14.45 C ATOM 507 CD1 TYR A 31 -2.336 10.879 5.567 1.00 41.30 C ATOM 508 CD2 TYR A 31 -0.001 10.390 5.072 1.00 44.23 C ATOM 509 CE1 TYR A 31 -2.002 12.213 5.857 1.00 30.41 C ATOM 510 CE2 TYR A 31 0.339 11.725 5.356 1.00 70.50 C ATOM 511 CZ TYR A 31 -0.664 12.642 5.737 1.00 72.31 C ATOM 512 OH TYR A 31 -0.345 13.945 5.936 1.00 73.42 O ATOM 0 H TYR A 31 -2.202 9.927 2.269 1.00 41.41 H new ATOM 0 HA TYR A 31 -2.116 7.199 3.277 1.00 45.51 H new ATOM 0 HB2 TYR A 31 -2.408 8.178 5.632 1.00 62.50 H new ATOM 0 HB3 TYR A 31 -0.804 7.912 4.977 1.00 62.50 H new ATOM 0 HD1 TYR A 31 -3.363 10.554 5.644 1.00 41.30 H new ATOM 0 HD2 TYR A 31 0.766 9.691 4.773 1.00 44.23 H new ATOM 0 HE1 TYR A 31 -2.767 12.907 6.171 1.00 30.41 H new ATOM 0 HE2 TYR A 31 1.367 12.048 5.283 1.00 70.50 H new ATOM 0 HH TYR A 31 0.620 14.068 5.815 1.00 73.42 H new ATOM 522 N LEU A 32 -4.562 7.380 3.694 1.00 44.23 N ATOM 523 CA LEU A 32 -6.011 7.367 3.813 1.00 14.22 C ATOM 524 C LEU A 32 -6.372 7.758 5.244 1.00 12.21 C ATOM 525 O LEU A 32 -5.861 7.156 6.196 1.00 43.14 O ATOM 526 CB LEU A 32 -6.550 5.954 3.511 1.00 42.53 C ATOM 527 CG LEU A 32 -6.316 5.446 2.077 1.00 5.34 C ATOM 528 CD1 LEU A 32 -6.855 4.016 1.969 1.00 11.55 C ATOM 529 CD2 LEU A 32 -6.983 6.313 1.011 1.00 3.34 C ATOM 0 H LEU A 32 -4.149 6.454 3.809 1.00 44.23 H new ATOM 0 HA LEU A 32 -6.453 8.067 3.104 1.00 14.22 H new ATOM 0 HB2 LEU A 32 -6.089 5.252 4.206 1.00 42.53 H new ATOM 0 HB3 LEU A 32 -7.621 5.943 3.711 1.00 42.53 H new ATOM 0 HG LEU A 32 -5.243 5.487 1.891 1.00 5.34 H new ATOM 0 HD11 LEU A 32 -6.696 3.643 0.957 1.00 11.55 H new ATOM 0 HD12 LEU A 32 -6.332 3.375 2.679 1.00 11.55 H new ATOM 0 HD13 LEU A 32 -7.922 4.011 2.194 1.00 11.55 H new ATOM 0 HD21 LEU A 32 -6.778 5.898 0.024 1.00 3.34 H new ATOM 0 HD22 LEU A 32 -8.060 6.333 1.180 1.00 3.34 H new ATOM 0 HD23 LEU A 32 -6.588 7.327 1.068 1.00 3.34 H new ATOM 541 N SER A 33 -7.251 8.746 5.419 1.00 13.51 N ATOM 542 CA SER A 33 -7.883 8.988 6.711 1.00 13.41 C ATOM 543 C SER A 33 -8.941 7.912 7.011 1.00 11.53 C ATOM 544 O SER A 33 -9.075 6.936 6.273 1.00 13.33 O ATOM 545 CB SER A 33 -8.408 10.419 6.784 1.00 61.24 C ATOM 546 OG SER A 33 -8.432 10.867 8.126 1.00 71.14 O ATOM 0 H SER A 33 -7.539 9.389 4.682 1.00 13.51 H new ATOM 0 HA SER A 33 -7.143 8.898 7.506 1.00 13.41 H new ATOM 0 HB2 SER A 33 -7.777 11.076 6.186 1.00 61.24 H new ATOM 0 HB3 SER A 33 -9.411 10.467 6.360 1.00 61.24 H new ATOM 0 HG SER A 33 -8.769 11.787 8.158 1.00 71.14 H new ATOM 552 N LEU A 34 -9.656 8.062 8.129 1.00 3.03 N ATOM 553 CA LEU A 34 -10.519 7.045 8.725 1.00 73.43 C ATOM 554 C LEU A 34 -11.597 6.601 7.741 1.00 10.22 C ATOM 555 O LEU A 34 -11.713 5.410 7.445 1.00 43.50 O ATOM 556 CB LEU A 34 -11.166 7.598 10.010 1.00 45.20 C ATOM 557 CG LEU A 34 -10.308 7.543 11.289 1.00 72.31 C ATOM 558 CD1 LEU A 34 -10.138 6.103 11.773 1.00 72.31 C ATOM 559 CD2 LEU A 34 -8.933 8.202 11.151 1.00 23.31 C ATOM 0 H LEU A 34 -9.648 8.931 8.663 1.00 3.03 H new ATOM 0 HA LEU A 34 -9.910 6.176 8.974 1.00 73.43 H new ATOM 0 HB2 LEU A 34 -11.447 8.636 9.832 1.00 45.20 H new ATOM 0 HB3 LEU A 34 -12.088 7.046 10.193 1.00 45.20 H new ATOM 0 HG LEU A 34 -10.861 8.125 12.026 1.00 72.31 H new ATOM 0 HD11 LEU A 34 -9.529 6.092 12.677 1.00 72.31 H new ATOM 0 HD12 LEU A 34 -11.116 5.674 11.990 1.00 72.31 H new ATOM 0 HD13 LEU A 34 -9.648 5.514 10.998 1.00 72.31 H new ATOM 0 HD21 LEU A 34 -8.394 8.120 12.095 1.00 23.31 H new ATOM 0 HD22 LEU A 34 -8.367 7.702 10.365 1.00 23.31 H new ATOM 0 HD23 LEU A 34 -9.058 9.254 10.895 1.00 23.31 H new ATOM 571 N THR A 35 -12.379 7.558 7.251 1.00 32.05 N ATOM 572 CA THR A 35 -13.466 7.297 6.324 1.00 63.42 C ATOM 573 C THR A 35 -12.909 6.830 4.976 1.00 5.12 C ATOM 574 O THR A 35 -13.449 5.898 4.387 1.00 23.15 O ATOM 575 CB THR A 35 -14.335 8.559 6.250 1.00 42.42 C ATOM 576 OG1 THR A 35 -14.845 8.787 7.549 1.00 73.22 O ATOM 577 CG2 THR A 35 -15.512 8.426 5.283 1.00 41.12 C ATOM 0 H THR A 35 -12.272 8.544 7.491 1.00 32.05 H new ATOM 0 HA THR A 35 -14.104 6.481 6.663 1.00 63.42 H new ATOM 0 HB THR A 35 -13.717 9.379 5.884 1.00 42.42 H new ATOM 0 HG1 THR A 35 -15.407 9.590 7.544 1.00 73.22 H new ATOM 0 HG21 THR A 35 -16.086 9.353 5.278 1.00 41.12 H new ATOM 0 HG22 THR A 35 -15.137 8.226 4.279 1.00 41.12 H new ATOM 0 HG23 THR A 35 -16.153 7.604 5.601 1.00 41.12 H new ATOM 585 N GLU A 36 -11.808 7.418 4.497 1.00 13.23 N ATOM 586 CA GLU A 36 -11.161 7.025 3.248 1.00 74.01 C ATOM 587 C GLU A 36 -10.800 5.540 3.284 1.00 22.15 C ATOM 588 O GLU A 36 -11.209 4.788 2.409 1.00 64.24 O ATOM 589 CB GLU A 36 -9.908 7.863 2.971 1.00 34.35 C ATOM 590 CG GLU A 36 -10.005 9.369 3.208 1.00 23.34 C ATOM 591 CD GLU A 36 -11.333 10.001 2.807 1.00 14.54 C ATOM 592 OE1 GLU A 36 -11.544 10.290 1.616 1.00 64.34 O ATOM 593 OE2 GLU A 36 -12.122 10.295 3.740 1.00 14.41 O ATOM 0 H GLU A 36 -11.338 8.188 4.973 1.00 13.23 H new ATOM 0 HA GLU A 36 -11.869 7.205 2.439 1.00 74.01 H new ATOM 0 HB2 GLU A 36 -9.099 7.476 3.591 1.00 34.35 H new ATOM 0 HB3 GLU A 36 -9.618 7.703 1.932 1.00 34.35 H new ATOM 0 HG2 GLU A 36 -9.830 9.567 4.266 1.00 23.34 H new ATOM 0 HG3 GLU A 36 -9.204 9.861 2.655 1.00 23.34 H new ATOM 600 N ARG A 37 -10.102 5.096 4.336 1.00 73.42 N ATOM 601 CA ARG A 37 -9.782 3.686 4.570 1.00 5.21 C ATOM 602 C ARG A 37 -11.013 2.805 4.396 1.00 11.53 C ATOM 603 O ARG A 37 -10.901 1.733 3.811 1.00 51.44 O ATOM 604 CB ARG A 37 -9.222 3.481 5.986 1.00 50.13 C ATOM 605 CG ARG A 37 -7.694 3.419 6.090 1.00 72.33 C ATOM 606 CD ARG A 37 -7.231 3.229 7.543 1.00 71.22 C ATOM 607 NE ARG A 37 -8.017 2.198 8.249 1.00 30.42 N ATOM 608 CZ ARG A 37 -8.485 2.281 9.498 1.00 45.11 C ATOM 609 NH1 ARG A 37 -7.977 3.157 10.362 1.00 52.34 N ATOM 610 NH2 ARG A 37 -9.439 1.463 9.910 1.00 32.22 N ATOM 0 H ARG A 37 -9.739 5.717 5.059 1.00 73.42 H new ATOM 0 HA ARG A 37 -9.030 3.401 3.834 1.00 5.21 H new ATOM 0 HB2 ARG A 37 -9.579 4.293 6.620 1.00 50.13 H new ATOM 0 HB3 ARG A 37 -9.634 2.556 6.390 1.00 50.13 H new ATOM 0 HG2 ARG A 37 -7.321 2.598 5.479 1.00 72.33 H new ATOM 0 HG3 ARG A 37 -7.264 4.337 5.688 1.00 72.33 H new ATOM 0 HD2 ARG A 37 -6.177 2.950 7.553 1.00 71.22 H new ATOM 0 HD3 ARG A 37 -7.315 4.176 8.076 1.00 71.22 H new ATOM 0 HE ARG A 37 -8.222 1.341 7.735 1.00 30.42 H new ATOM 0 HH11 ARG A 37 -7.220 3.777 10.074 1.00 52.34 H new ATOM 0 HH12 ARG A 37 -8.345 3.208 11.312 1.00 52.34 H new ATOM 0 HH21 ARG A 37 -9.822 0.764 9.273 1.00 32.22 H new ATOM 0 HH22 ARG A 37 -9.792 1.531 10.864 1.00 32.22 H new ATOM 624 N SER A 38 -12.152 3.224 4.942 1.00 61.43 N ATOM 625 CA SER A 38 -13.383 2.468 4.852 1.00 22.44 C ATOM 626 C SER A 38 -13.893 2.424 3.412 1.00 63.02 C ATOM 627 O SER A 38 -14.295 1.346 2.978 1.00 24.43 O ATOM 628 CB SER A 38 -14.399 3.069 5.819 1.00 65.42 C ATOM 629 OG SER A 38 -15.310 2.092 6.299 1.00 53.34 O ATOM 0 H SER A 38 -12.240 4.099 5.458 1.00 61.43 H new ATOM 0 HA SER A 38 -13.209 1.431 5.140 1.00 22.44 H new ATOM 0 HB2 SER A 38 -13.876 3.523 6.661 1.00 65.42 H new ATOM 0 HB3 SER A 38 -14.950 3.866 5.319 1.00 65.42 H new ATOM 0 HG SER A 38 -15.945 2.512 6.917 1.00 53.34 H new ATOM 635 N GLN A 39 -13.848 3.539 2.673 1.00 32.43 N ATOM 636 CA GLN A 39 -14.272 3.644 1.281 1.00 61.23 C ATOM 637 C GLN A 39 -13.444 2.717 0.397 1.00 50.33 C ATOM 638 O GLN A 39 -14.002 1.802 -0.198 1.00 23.35 O ATOM 639 CB GLN A 39 -14.163 5.096 0.791 1.00 43.52 C ATOM 640 CG GLN A 39 -15.236 5.991 1.415 1.00 24.02 C ATOM 641 CD GLN A 39 -15.088 7.425 0.926 1.00 11.13 C ATOM 642 OE1 GLN A 39 -15.662 7.811 -0.091 1.00 3.14 O ATOM 643 NE2 GLN A 39 -14.291 8.230 1.611 1.00 34.02 N ATOM 0 H GLN A 39 -13.502 4.423 3.046 1.00 32.43 H new ATOM 0 HA GLN A 39 -15.316 3.338 1.217 1.00 61.23 H new ATOM 0 HB2 GLN A 39 -13.176 5.488 1.035 1.00 43.52 H new ATOM 0 HB3 GLN A 39 -14.256 5.121 -0.295 1.00 43.52 H new ATOM 0 HG2 GLN A 39 -16.226 5.614 1.159 1.00 24.02 H new ATOM 0 HG3 GLN A 39 -15.155 5.961 2.502 1.00 24.02 H new ATOM 0 HE21 GLN A 39 -13.824 7.891 2.452 1.00 34.02 H new ATOM 0 HE22 GLN A 39 -14.144 9.190 1.298 1.00 34.02 H new ATOM 652 N ILE A 40 -12.119 2.894 0.351 1.00 64.34 N ATOM 653 CA ILE A 40 -11.232 2.145 -0.554 1.00 21.42 C ATOM 654 C ILE A 40 -11.349 0.632 -0.292 1.00 11.55 C ATOM 655 O ILE A 40 -11.166 -0.189 -1.184 1.00 23.41 O ATOM 656 CB ILE A 40 -9.768 2.645 -0.393 1.00 30.05 C ATOM 657 CG1 ILE A 40 -9.569 4.177 -0.444 1.00 70.23 C ATOM 658 CG2 ILE A 40 -8.820 2.022 -1.432 1.00 24.11 C ATOM 659 CD1 ILE A 40 -10.378 4.895 -1.515 1.00 30.23 C ATOM 0 H ILE A 40 -11.627 3.564 0.942 1.00 64.34 H new ATOM 0 HA ILE A 40 -11.537 2.322 -1.585 1.00 21.42 H new ATOM 0 HB ILE A 40 -9.524 2.316 0.617 1.00 30.05 H new ATOM 0 HG12 ILE A 40 -9.830 4.595 0.528 1.00 70.23 H new ATOM 0 HG13 ILE A 40 -8.512 4.386 -0.607 1.00 70.23 H new ATOM 0 HG21 ILE A 40 -7.810 2.403 -1.278 1.00 24.11 H new ATOM 0 HG22 ILE A 40 -8.820 0.938 -1.321 1.00 24.11 H new ATOM 0 HG23 ILE A 40 -9.157 2.284 -2.435 1.00 24.11 H new ATOM 0 HD11 ILE A 40 -10.171 5.964 -1.472 1.00 30.23 H new ATOM 0 HD12 ILE A 40 -10.102 4.512 -2.497 1.00 30.23 H new ATOM 0 HD13 ILE A 40 -11.441 4.724 -1.344 1.00 30.23 H new ATOM 671 N ALA A 41 -11.691 0.274 0.942 1.00 51.20 N ATOM 672 CA ALA A 41 -11.839 -1.098 1.393 1.00 62.42 C ATOM 673 C ALA A 41 -13.193 -1.630 0.953 1.00 23.04 C ATOM 674 O ALA A 41 -13.265 -2.671 0.309 1.00 63.34 O ATOM 675 CB ALA A 41 -11.663 -1.170 2.914 1.00 54.42 C ATOM 0 H ALA A 41 -11.878 0.957 1.677 1.00 51.20 H new ATOM 0 HA ALA A 41 -11.068 -1.725 0.945 1.00 62.42 H new ATOM 0 HB1 ALA A 41 -11.775 -2.202 3.245 1.00 54.42 H new ATOM 0 HB2 ALA A 41 -10.670 -0.809 3.183 1.00 54.42 H new ATOM 0 HB3 ALA A 41 -12.418 -0.550 3.397 1.00 54.42 H new ATOM 681 N HIS A 42 -14.264 -0.910 1.286 1.00 4.51 N ATOM 682 CA HIS A 42 -15.630 -1.237 0.921 1.00 64.10 C ATOM 683 C HIS A 42 -15.761 -1.377 -0.590 1.00 71.12 C ATOM 684 O HIS A 42 -16.421 -2.309 -1.047 1.00 44.11 O ATOM 685 CB HIS A 42 -16.568 -0.139 1.447 1.00 23.21 C ATOM 686 CG HIS A 42 -18.003 -0.319 1.036 1.00 1.35 C ATOM 687 ND1 HIS A 42 -19.001 -0.863 1.807 1.00 4.32 N ATOM 688 CD2 HIS A 42 -18.543 0.012 -0.176 1.00 64.04 C ATOM 689 CE1 HIS A 42 -20.122 -0.859 1.075 1.00 63.10 C ATOM 690 NE2 HIS A 42 -19.895 -0.345 -0.146 1.00 41.21 N ATOM 0 H HIS A 42 -14.195 -0.054 1.837 1.00 4.51 H new ATOM 0 HA HIS A 42 -15.906 -2.191 1.369 1.00 64.10 H new ATOM 0 HB2 HIS A 42 -16.512 -0.117 2.535 1.00 23.21 H new ATOM 0 HB3 HIS A 42 -16.216 0.829 1.089 1.00 23.21 H new ATOM 0 HD2 HIS A 42 -18.021 0.466 -1.005 1.00 64.04 H new ATOM 0 HE1 HIS A 42 -21.080 -1.220 1.419 1.00 63.10 H new ATOM 0 HE2 HIS A 42 -20.573 -0.237 -0.900 1.00 41.21 H new ATOM 698 N ALA A 43 -15.129 -0.484 -1.356 1.00 74.22 N ATOM 699 CA ALA A 43 -15.217 -0.489 -2.812 1.00 74.31 C ATOM 700 C ALA A 43 -14.746 -1.838 -3.354 1.00 2.34 C ATOM 701 O ALA A 43 -15.401 -2.466 -4.189 1.00 51.54 O ATOM 702 CB ALA A 43 -14.369 0.648 -3.383 1.00 43.51 C ATOM 0 H ALA A 43 -14.543 0.262 -0.981 1.00 74.22 H new ATOM 0 HA ALA A 43 -16.253 -0.337 -3.115 1.00 74.31 H new ATOM 0 HB1 ALA A 43 -14.437 0.642 -4.471 1.00 43.51 H new ATOM 0 HB2 ALA A 43 -14.735 1.601 -3.002 1.00 43.51 H new ATOM 0 HB3 ALA A 43 -13.330 0.513 -3.083 1.00 43.51 H new ATOM 708 N LEU A 44 -13.637 -2.320 -2.802 1.00 42.20 N ATOM 709 CA LEU A 44 -12.948 -3.536 -3.202 1.00 41.33 C ATOM 710 C LEU A 44 -13.420 -4.720 -2.344 1.00 33.14 C ATOM 711 O LEU A 44 -12.857 -5.807 -2.425 1.00 73.33 O ATOM 712 CB LEU A 44 -11.433 -3.263 -3.133 1.00 61.20 C ATOM 713 CG LEU A 44 -11.003 -2.030 -3.972 1.00 74.01 C ATOM 714 CD1 LEU A 44 -9.531 -1.703 -3.747 1.00 10.35 C ATOM 715 CD2 LEU A 44 -11.253 -2.215 -5.473 1.00 10.25 C ATOM 0 H LEU A 44 -13.174 -1.848 -2.026 1.00 42.20 H new ATOM 0 HA LEU A 44 -13.184 -3.820 -4.228 1.00 41.33 H new ATOM 0 HB2 LEU A 44 -11.144 -3.108 -2.094 1.00 61.20 H new ATOM 0 HB3 LEU A 44 -10.894 -4.142 -3.486 1.00 61.20 H new ATOM 0 HG LEU A 44 -11.624 -1.202 -3.628 1.00 74.01 H new ATOM 0 HD11 LEU A 44 -9.255 -0.835 -4.346 1.00 10.35 H new ATOM 0 HD12 LEU A 44 -9.364 -1.483 -2.692 1.00 10.35 H new ATOM 0 HD13 LEU A 44 -8.920 -2.556 -4.041 1.00 10.35 H new ATOM 0 HD21 LEU A 44 -10.933 -1.321 -6.008 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -10.688 -3.075 -5.833 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -12.316 -2.381 -5.647 1.00 10.25 H new ATOM 727 N LYS A 45 -14.471 -4.501 -1.542 1.00 33.15 N ATOM 728 CA LYS A 45 -15.143 -5.372 -0.579 1.00 12.42 C ATOM 729 C LYS A 45 -14.254 -5.988 0.512 1.00 25.14 C ATOM 730 O LYS A 45 -14.681 -6.889 1.253 1.00 43.40 O ATOM 731 CB LYS A 45 -16.001 -6.400 -1.333 1.00 42.14 C ATOM 732 CG LYS A 45 -17.392 -6.535 -0.697 1.00 43.30 C ATOM 733 CD LYS A 45 -17.741 -7.987 -0.389 1.00 52.30 C ATOM 734 CE LYS A 45 -19.136 -8.014 0.236 1.00 63.21 C ATOM 735 NZ LYS A 45 -19.364 -9.245 1.011 1.00 73.44 N ATOM 0 H LYS A 45 -14.925 -3.588 -1.560 1.00 33.15 H new ATOM 0 HA LYS A 45 -15.793 -4.730 0.016 1.00 12.42 H new ATOM 0 HB2 LYS A 45 -16.103 -6.098 -2.375 1.00 42.14 H new ATOM 0 HB3 LYS A 45 -15.501 -7.368 -1.329 1.00 42.14 H new ATOM 0 HG2 LYS A 45 -17.429 -5.951 0.222 1.00 43.30 H new ATOM 0 HG3 LYS A 45 -18.141 -6.117 -1.370 1.00 43.30 H new ATOM 0 HD2 LYS A 45 -17.720 -8.586 -1.300 1.00 52.30 H new ATOM 0 HD3 LYS A 45 -17.009 -8.419 0.294 1.00 52.30 H new ATOM 0 HE2 LYS A 45 -19.260 -7.147 0.885 1.00 63.21 H new ATOM 0 HE3 LYS A 45 -19.888 -7.934 -0.549 1.00 63.21 H new ATOM 0 HZ1 LYS A 45 -20.320 -9.226 1.419 1.00 73.44 H new ATOM 0 HZ2 LYS A 45 -19.270 -10.071 0.386 1.00 73.44 H new ATOM 0 HZ3 LYS A 45 -18.662 -9.308 1.776 1.00 73.44 H new ATOM 749 N LEU A 46 -13.027 -5.495 0.626 1.00 41.20 N ATOM 750 CA LEU A 46 -11.995 -5.923 1.560 1.00 10.55 C ATOM 751 C LEU A 46 -12.218 -5.278 2.931 1.00 54.22 C ATOM 752 O LEU A 46 -13.006 -4.340 3.067 1.00 22.14 O ATOM 753 CB LEU A 46 -10.631 -5.511 0.976 1.00 42.41 C ATOM 754 CG LEU A 46 -10.133 -6.494 -0.106 1.00 44.11 C ATOM 755 CD1 LEU A 46 -9.077 -5.805 -0.970 1.00 51.54 C ATOM 756 CD2 LEU A 46 -9.530 -7.750 0.541 1.00 74.23 C ATOM 0 H LEU A 46 -12.706 -4.734 0.027 1.00 41.20 H new ATOM 0 HA LEU A 46 -12.030 -7.004 1.698 1.00 10.55 H new ATOM 0 HB2 LEU A 46 -10.709 -4.512 0.547 1.00 42.41 H new ATOM 0 HB3 LEU A 46 -9.896 -5.456 1.779 1.00 42.41 H new ATOM 0 HG LEU A 46 -10.979 -6.794 -0.725 1.00 44.11 H new ATOM 0 HD11 LEU A 46 -8.724 -6.497 -1.734 1.00 51.54 H new ATOM 0 HD12 LEU A 46 -9.514 -4.928 -1.448 1.00 51.54 H new ATOM 0 HD13 LEU A 46 -8.239 -5.498 -0.344 1.00 51.54 H new ATOM 0 HD21 LEU A 46 -9.185 -8.430 -0.238 1.00 74.23 H new ATOM 0 HD22 LEU A 46 -8.689 -7.466 1.173 1.00 74.23 H new ATOM 0 HD23 LEU A 46 -10.288 -8.247 1.147 1.00 74.23 H new ATOM 768 N SER A 47 -11.525 -5.768 3.961 1.00 70.22 N ATOM 769 CA SER A 47 -11.472 -5.124 5.269 1.00 74.04 C ATOM 770 C SER A 47 -10.579 -3.879 5.222 1.00 50.54 C ATOM 771 O SER A 47 -9.630 -3.822 4.437 1.00 14.22 O ATOM 772 CB SER A 47 -10.920 -6.129 6.282 1.00 43.11 C ATOM 773 OG SER A 47 -11.576 -7.378 6.176 1.00 61.24 O ATOM 0 H SER A 47 -10.982 -6.630 3.907 1.00 70.22 H new ATOM 0 HA SER A 47 -12.473 -4.808 5.562 1.00 74.04 H new ATOM 0 HB2 SER A 47 -9.850 -6.262 6.119 1.00 43.11 H new ATOM 0 HB3 SER A 47 -11.042 -5.736 7.291 1.00 43.11 H new ATOM 0 HG SER A 47 -11.202 -8.001 6.834 1.00 61.24 H new ATOM 779 N GLU A 48 -10.786 -2.924 6.130 1.00 61.31 N ATOM 780 CA GLU A 48 -9.909 -1.762 6.289 1.00 13.55 C ATOM 781 C GLU A 48 -8.484 -2.212 6.616 1.00 24.34 C ATOM 782 O GLU A 48 -7.515 -1.638 6.119 1.00 10.43 O ATOM 783 CB GLU A 48 -10.402 -0.859 7.430 1.00 34.12 C ATOM 784 CG GLU A 48 -11.834 -0.347 7.255 1.00 10.42 C ATOM 785 CD GLU A 48 -12.320 0.327 8.534 1.00 72.11 C ATOM 786 OE1 GLU A 48 -12.881 -0.369 9.410 1.00 34.21 O ATOM 787 OE2 GLU A 48 -12.082 1.545 8.690 1.00 33.12 O ATOM 0 H GLU A 48 -11.572 -2.935 6.780 1.00 61.31 H new ATOM 0 HA GLU A 48 -9.922 -1.208 5.350 1.00 13.55 H new ATOM 0 HB2 GLU A 48 -10.338 -1.411 8.368 1.00 34.12 H new ATOM 0 HB3 GLU A 48 -9.731 -0.004 7.517 1.00 34.12 H new ATOM 0 HG2 GLU A 48 -11.875 0.360 6.426 1.00 10.42 H new ATOM 0 HG3 GLU A 48 -12.494 -1.176 7.000 1.00 10.42 H new ATOM 794 N VAL A 49 -8.353 -3.249 7.451 1.00 64.20 N ATOM 795 CA VAL A 49 -7.063 -3.817 7.826 1.00 5.32 C ATOM 796 C VAL A 49 -6.338 -4.375 6.598 1.00 45.24 C ATOM 797 O VAL A 49 -5.127 -4.229 6.485 1.00 14.12 O ATOM 798 CB VAL A 49 -7.263 -4.870 8.937 1.00 12.13 C ATOM 799 CG1 VAL A 49 -5.976 -5.640 9.264 1.00 70.54 C ATOM 800 CG2 VAL A 49 -7.764 -4.178 10.215 1.00 33.41 C ATOM 0 H VAL A 49 -9.148 -3.718 7.886 1.00 64.20 H new ATOM 0 HA VAL A 49 -6.420 -3.035 8.230 1.00 5.32 H new ATOM 0 HB VAL A 49 -7.995 -5.588 8.567 1.00 12.13 H new ATOM 0 HG11 VAL A 49 -6.177 -6.366 10.052 1.00 70.54 H new ATOM 0 HG12 VAL A 49 -5.626 -6.159 8.372 1.00 70.54 H new ATOM 0 HG13 VAL A 49 -5.210 -4.942 9.601 1.00 70.54 H new ATOM 0 HG21 VAL A 49 -7.905 -4.921 11.000 1.00 33.41 H new ATOM 0 HG22 VAL A 49 -7.030 -3.441 10.541 1.00 33.41 H new ATOM 0 HG23 VAL A 49 -8.712 -3.680 10.012 1.00 33.41 H new ATOM 810 N GLN A 50 -7.044 -4.974 5.643 1.00 45.53 N ATOM 811 CA GLN A 50 -6.408 -5.486 4.440 1.00 31.41 C ATOM 812 C GLN A 50 -5.759 -4.326 3.672 1.00 13.21 C ATOM 813 O GLN A 50 -4.607 -4.427 3.244 1.00 31.13 O ATOM 814 CB GLN A 50 -7.470 -6.189 3.580 1.00 11.54 C ATOM 815 CG GLN A 50 -8.138 -7.429 4.205 1.00 63.11 C ATOM 816 CD GLN A 50 -7.411 -8.738 3.919 1.00 71.34 C ATOM 817 OE1 GLN A 50 -6.612 -8.842 2.992 1.00 22.02 O ATOM 818 NE2 GLN A 50 -7.681 -9.768 4.693 1.00 12.53 N ATOM 0 H GLN A 50 -8.053 -5.115 5.681 1.00 45.53 H new ATOM 0 HA GLN A 50 -5.629 -6.204 4.697 1.00 31.41 H new ATOM 0 HB2 GLN A 50 -8.249 -5.466 3.338 1.00 11.54 H new ATOM 0 HB3 GLN A 50 -7.007 -6.487 2.639 1.00 11.54 H new ATOM 0 HG2 GLN A 50 -8.201 -7.289 5.284 1.00 63.11 H new ATOM 0 HG3 GLN A 50 -9.160 -7.504 3.833 1.00 63.11 H new ATOM 0 HE21 GLN A 50 -8.346 -9.669 5.460 1.00 12.53 H new ATOM 0 HE22 GLN A 50 -7.225 -10.665 4.526 1.00 12.53 H new ATOM 827 N VAL A 51 -6.498 -3.227 3.489 1.00 12.14 N ATOM 828 CA VAL A 51 -6.028 -2.058 2.756 1.00 11.25 C ATOM 829 C VAL A 51 -4.840 -1.420 3.483 1.00 42.40 C ATOM 830 O VAL A 51 -3.828 -1.124 2.842 1.00 61.44 O ATOM 831 CB VAL A 51 -7.198 -1.079 2.521 1.00 42.12 C ATOM 832 CG1 VAL A 51 -6.758 0.162 1.733 1.00 24.21 C ATOM 833 CG2 VAL A 51 -8.313 -1.767 1.723 1.00 33.33 C ATOM 0 H VAL A 51 -7.447 -3.128 3.850 1.00 12.14 H new ATOM 0 HA VAL A 51 -5.664 -2.355 1.772 1.00 11.25 H new ATOM 0 HB VAL A 51 -7.553 -0.773 3.505 1.00 42.12 H new ATOM 0 HG11 VAL A 51 -7.612 0.824 1.590 1.00 24.21 H new ATOM 0 HG12 VAL A 51 -5.980 0.688 2.287 1.00 24.21 H new ATOM 0 HG13 VAL A 51 -6.369 -0.143 0.762 1.00 24.21 H new ATOM 0 HG21 VAL A 51 -9.132 -1.066 1.564 1.00 33.33 H new ATOM 0 HG22 VAL A 51 -7.922 -2.093 0.759 1.00 33.33 H new ATOM 0 HG23 VAL A 51 -8.678 -2.631 2.278 1.00 33.33 H new ATOM 843 N LYS A 52 -4.907 -1.237 4.812 1.00 24.12 N ATOM 844 CA LYS A 52 -3.824 -0.582 5.553 1.00 53.02 C ATOM 845 C LYS A 52 -2.493 -1.314 5.365 1.00 50.42 C ATOM 846 O LYS A 52 -1.441 -0.668 5.425 1.00 71.31 O ATOM 847 CB LYS A 52 -4.195 -0.368 7.036 1.00 32.25 C ATOM 848 CG LYS A 52 -3.725 -1.518 7.936 1.00 24.42 C ATOM 849 CD LYS A 52 -4.317 -1.548 9.347 1.00 71.32 C ATOM 850 CE LYS A 52 -3.297 -1.044 10.370 1.00 33.52 C ATOM 851 NZ LYS A 52 -3.914 -0.834 11.690 1.00 33.33 N ATOM 0 H LYS A 52 -5.695 -1.532 5.389 1.00 24.12 H new ATOM 0 HA LYS A 52 -3.686 0.414 5.132 1.00 53.02 H new ATOM 0 HB2 LYS A 52 -3.753 0.565 7.386 1.00 32.25 H new ATOM 0 HB3 LYS A 52 -5.276 -0.262 7.124 1.00 32.25 H new ATOM 0 HG2 LYS A 52 -3.964 -2.460 7.443 1.00 24.42 H new ATOM 0 HG3 LYS A 52 -2.639 -1.468 8.019 1.00 24.42 H new ATOM 0 HD2 LYS A 52 -5.214 -0.929 9.384 1.00 71.32 H new ATOM 0 HD3 LYS A 52 -4.620 -2.564 9.598 1.00 71.32 H new ATOM 0 HE2 LYS A 52 -2.483 -1.763 10.458 1.00 33.52 H new ATOM 0 HE3 LYS A 52 -2.860 -0.109 10.019 1.00 33.52 H new ATOM 0 HZ1 LYS A 52 -3.195 -0.492 12.359 1.00 33.33 H new ATOM 0 HZ2 LYS A 52 -4.674 -0.129 11.610 1.00 33.33 H new ATOM 0 HZ3 LYS A 52 -4.309 -1.732 12.035 1.00 33.33 H new ATOM 865 N ILE A 53 -2.526 -2.642 5.199 1.00 62.50 N ATOM 866 CA ILE A 53 -1.332 -3.459 5.043 1.00 43.32 C ATOM 867 C ILE A 53 -0.781 -3.292 3.626 1.00 1.24 C ATOM 868 O ILE A 53 0.438 -3.265 3.466 1.00 62.23 O ATOM 869 CB ILE A 53 -1.598 -4.946 5.390 1.00 51.20 C ATOM 870 CG1 ILE A 53 -2.078 -5.126 6.849 1.00 63.12 C ATOM 871 CG2 ILE A 53 -0.296 -5.753 5.204 1.00 21.23 C ATOM 872 CD1 ILE A 53 -2.794 -6.457 7.104 1.00 74.43 C ATOM 0 H ILE A 53 -3.394 -3.178 5.170 1.00 62.50 H new ATOM 0 HA ILE A 53 -0.579 -3.115 5.752 1.00 43.32 H new ATOM 0 HB ILE A 53 -2.383 -5.302 4.723 1.00 51.20 H new ATOM 0 HG12 ILE A 53 -1.219 -5.052 7.516 1.00 63.12 H new ATOM 0 HG13 ILE A 53 -2.751 -4.307 7.104 1.00 63.12 H new ATOM 0 HG21 ILE A 53 -0.479 -6.800 5.447 1.00 21.23 H new ATOM 0 HG22 ILE A 53 0.037 -5.674 4.169 1.00 21.23 H new ATOM 0 HG23 ILE A 53 0.475 -5.357 5.864 1.00 21.23 H new ATOM 0 HD11 ILE A 53 -3.101 -6.511 8.148 1.00 74.43 H new ATOM 0 HD12 ILE A 53 -3.673 -6.526 6.463 1.00 74.43 H new ATOM 0 HD13 ILE A 53 -2.118 -7.282 6.882 1.00 74.43 H new ATOM 884 N TRP A 54 -1.625 -3.169 2.600 1.00 33.02 N ATOM 885 CA TRP A 54 -1.116 -2.981 1.248 1.00 21.21 C ATOM 886 C TRP A 54 -0.460 -1.603 1.138 1.00 2.45 C ATOM 887 O TRP A 54 0.716 -1.513 0.794 1.00 64.21 O ATOM 888 CB TRP A 54 -2.232 -3.204 0.225 1.00 13.55 C ATOM 889 CG TRP A 54 -1.742 -3.558 -1.144 1.00 62.32 C ATOM 890 CD1 TRP A 54 -1.659 -4.816 -1.637 1.00 34.12 C ATOM 891 CD2 TRP A 54 -1.280 -2.676 -2.214 1.00 54.41 C ATOM 892 NE1 TRP A 54 -1.184 -4.781 -2.933 1.00 2.32 N ATOM 893 CE2 TRP A 54 -0.947 -3.483 -3.343 1.00 62.12 C ATOM 894 CE3 TRP A 54 -1.155 -1.275 -2.367 1.00 23.12 C ATOM 895 CZ2 TRP A 54 -0.492 -2.924 -4.546 1.00 61.32 C ATOM 896 CZ3 TRP A 54 -0.707 -0.707 -3.575 1.00 51.20 C ATOM 897 CH2 TRP A 54 -0.354 -1.534 -4.651 1.00 54.20 C ATOM 0 H TRP A 54 -2.642 -3.196 2.679 1.00 33.02 H new ATOM 0 HA TRP A 54 -0.347 -3.721 1.026 1.00 21.21 H new ATOM 0 HB2 TRP A 54 -2.885 -4.000 0.583 1.00 13.55 H new ATOM 0 HB3 TRP A 54 -2.837 -2.300 0.160 1.00 13.55 H new ATOM 0 HD1 TRP A 54 -1.925 -5.713 -1.097 1.00 34.12 H new ATOM 0 HE1 TRP A 54 -1.028 -5.606 -3.512 1.00 2.32 H new ATOM 0 HE3 TRP A 54 -1.408 -0.628 -1.540 1.00 23.12 H new ATOM 0 HZ2 TRP A 54 -0.250 -3.560 -5.385 1.00 61.32 H new ATOM 0 HZ3 TRP A 54 -0.635 0.366 -3.673 1.00 51.20 H new ATOM 0 HH2 TRP A 54 0.025 -1.098 -5.563 1.00 54.20 H new ATOM 908 N PHE A 55 -1.172 -0.535 1.523 1.00 33.43 N ATOM 909 CA PHE A 55 -0.670 0.836 1.437 1.00 44.31 C ATOM 910 C PHE A 55 0.674 0.996 2.158 1.00 71.13 C ATOM 911 O PHE A 55 1.585 1.630 1.627 1.00 4.02 O ATOM 912 CB PHE A 55 -1.699 1.825 2.008 1.00 1.14 C ATOM 913 CG PHE A 55 -2.703 2.357 1.003 1.00 30.41 C ATOM 914 CD1 PHE A 55 -3.788 1.562 0.590 1.00 63.31 C ATOM 915 CD2 PHE A 55 -2.570 3.664 0.491 1.00 25.03 C ATOM 916 CE1 PHE A 55 -4.736 2.075 -0.311 1.00 53.52 C ATOM 917 CE2 PHE A 55 -3.522 4.166 -0.412 1.00 53.52 C ATOM 918 CZ PHE A 55 -4.606 3.375 -0.820 1.00 5.25 C ATOM 0 H PHE A 55 -2.116 -0.602 1.904 1.00 33.43 H new ATOM 0 HA PHE A 55 -0.510 1.058 0.382 1.00 44.31 H new ATOM 0 HB2 PHE A 55 -2.242 1.335 2.817 1.00 1.14 H new ATOM 0 HB3 PHE A 55 -1.166 2.668 2.447 1.00 1.14 H new ATOM 0 HD1 PHE A 55 -3.892 0.555 0.966 1.00 63.31 H new ATOM 0 HD2 PHE A 55 -1.736 4.280 0.793 1.00 25.03 H new ATOM 0 HE1 PHE A 55 -5.572 1.463 -0.614 1.00 53.52 H new ATOM 0 HE2 PHE A 55 -3.418 5.170 -0.796 1.00 53.52 H new ATOM 0 HZ PHE A 55 -5.333 3.763 -1.519 1.00 5.25 H new ATOM 928 N GLN A 56 0.829 0.432 3.364 1.00 44.32 N ATOM 929 CA GLN A 56 2.090 0.573 4.094 1.00 1.01 C ATOM 930 C GLN A 56 3.251 -0.153 3.410 1.00 5.31 C ATOM 931 O GLN A 56 4.412 0.240 3.547 1.00 31.55 O ATOM 932 CB GLN A 56 1.968 0.079 5.536 1.00 11.44 C ATOM 933 CG GLN A 56 1.785 -1.422 5.656 1.00 70.22 C ATOM 934 CD GLN A 56 1.659 -1.883 7.089 1.00 14.41 C ATOM 935 OE1 GLN A 56 2.621 -2.351 7.696 1.00 11.15 O ATOM 936 NE2 GLN A 56 0.469 -1.803 7.642 1.00 53.21 N ATOM 0 H GLN A 56 0.113 -0.114 3.843 1.00 44.32 H new ATOM 0 HA GLN A 56 2.308 1.641 4.097 1.00 1.01 H new ATOM 0 HB2 GLN A 56 2.862 0.372 6.087 1.00 11.44 H new ATOM 0 HB3 GLN A 56 1.123 0.578 6.011 1.00 11.44 H new ATOM 0 HG2 GLN A 56 0.894 -1.720 5.103 1.00 70.22 H new ATOM 0 HG3 GLN A 56 2.632 -1.925 5.190 1.00 70.22 H new ATOM 0 HE21 GLN A 56 -0.312 -1.410 7.117 1.00 53.21 H new ATOM 0 HE22 GLN A 56 0.327 -2.133 8.596 1.00 53.21 H new ATOM 945 N ASN A 57 2.952 -1.258 2.735 1.00 64.12 N ATOM 946 CA ASN A 57 3.946 -2.072 2.065 1.00 23.11 C ATOM 947 C ASN A 57 4.366 -1.411 0.754 1.00 14.33 C ATOM 948 O ASN A 57 5.504 -1.589 0.319 1.00 24.51 O ATOM 949 CB ASN A 57 3.389 -3.492 1.878 1.00 3.03 C ATOM 950 CG ASN A 57 3.773 -4.332 3.092 1.00 52.23 C ATOM 951 OD1 ASN A 57 4.914 -4.779 3.176 1.00 53.43 O ATOM 952 ND2 ASN A 57 2.904 -4.486 4.081 1.00 54.33 N ATOM 0 H ASN A 57 2.001 -1.613 2.640 1.00 64.12 H new ATOM 0 HA ASN A 57 4.849 -2.154 2.670 1.00 23.11 H new ATOM 0 HB2 ASN A 57 2.305 -3.461 1.767 1.00 3.03 H new ATOM 0 HB3 ASN A 57 3.790 -3.938 0.968 1.00 3.03 H new ATOM 0 HD21 ASN A 57 3.179 -4.982 4.929 1.00 54.33 H new ATOM 0 HD22 ASN A 57 1.960 -4.108 3.994 1.00 54.33 H new ATOM 959 N GLU A 58 3.484 -0.598 0.177 1.00 11.42 N ATOM 960 CA GLU A 58 3.698 0.168 -1.044 1.00 61.24 C ATOM 961 C GLU A 58 4.478 1.439 -0.730 1.00 43.12 C ATOM 962 O GLU A 58 5.497 1.700 -1.370 1.00 64.31 O ATOM 963 CB GLU A 58 2.327 0.494 -1.654 1.00 63.24 C ATOM 964 CG GLU A 58 2.402 1.021 -3.094 1.00 4.24 C ATOM 965 CD GLU A 58 2.762 -0.036 -4.142 1.00 22.02 C ATOM 966 OE1 GLU A 58 3.310 -1.116 -3.806 1.00 71.34 O ATOM 967 OE2 GLU A 58 2.598 0.257 -5.345 1.00 10.12 O ATOM 0 H GLU A 58 2.554 -0.450 0.570 1.00 11.42 H new ATOM 0 HA GLU A 58 4.283 -0.409 -1.761 1.00 61.24 H new ATOM 0 HB2 GLU A 58 1.709 -0.404 -1.637 1.00 63.24 H new ATOM 0 HB3 GLU A 58 1.829 1.236 -1.030 1.00 63.24 H new ATOM 0 HG2 GLU A 58 1.440 1.461 -3.356 1.00 4.24 H new ATOM 0 HG3 GLU A 58 3.141 1.822 -3.136 1.00 4.24 H new ATOM 974 N ARG A 59 4.075 2.210 0.293 1.00 74.22 N ATOM 975 CA ARG A 59 4.793 3.422 0.656 1.00 22.12 C ATOM 976 C ARG A 59 6.252 3.095 0.932 1.00 44.42 C ATOM 977 O ARG A 59 7.143 3.776 0.446 1.00 42.31 O ATOM 978 CB ARG A 59 4.097 4.179 1.792 1.00 61.23 C ATOM 979 CG ARG A 59 4.255 3.597 3.196 1.00 73.11 C ATOM 980 CD ARG A 59 3.453 4.360 4.258 1.00 4.21 C ATOM 981 NE ARG A 59 3.767 3.856 5.609 1.00 32.41 N ATOM 982 CZ ARG A 59 3.166 4.193 6.759 1.00 73.51 C ATOM 983 NH1 ARG A 59 2.134 5.029 6.764 1.00 25.51 N ATOM 984 NH2 ARG A 59 3.590 3.672 7.903 1.00 25.54 N ATOM 0 H ARG A 59 3.261 2.010 0.874 1.00 74.22 H new ATOM 0 HA ARG A 59 4.778 4.115 -0.186 1.00 22.12 H new ATOM 0 HB2 ARG A 59 4.474 5.202 1.802 1.00 61.23 H new ATOM 0 HB3 ARG A 59 3.033 4.234 1.563 1.00 61.23 H new ATOM 0 HG2 ARG A 59 3.937 2.555 3.189 1.00 73.11 H new ATOM 0 HG3 ARG A 59 5.310 3.606 3.470 1.00 73.11 H new ATOM 0 HD2 ARG A 59 3.682 5.424 4.199 1.00 4.21 H new ATOM 0 HD3 ARG A 59 2.386 4.252 4.063 1.00 4.21 H new ATOM 0 HE ARG A 59 4.525 3.176 5.675 1.00 32.41 H new ATOM 0 HH11 ARG A 59 1.791 5.421 5.887 1.00 25.51 H new ATOM 0 HH12 ARG A 59 1.684 5.279 7.645 1.00 25.51 H new ATOM 0 HH21 ARG A 59 4.372 3.017 7.906 1.00 25.54 H new ATOM 0 HH22 ARG A 59 3.134 3.927 8.779 1.00 25.54 H new ATOM 998 N ALA A 60 6.473 1.977 1.612 1.00 25.52 N ATOM 999 CA ALA A 60 7.780 1.407 1.874 1.00 45.03 C ATOM 1000 C ALA A 60 8.502 1.004 0.589 1.00 34.31 C ATOM 1001 O ALA A 60 9.625 1.460 0.376 1.00 71.11 O ATOM 1002 CB ALA A 60 7.649 0.202 2.797 1.00 52.13 C ATOM 0 H ALA A 60 5.714 1.424 2.010 1.00 25.52 H new ATOM 0 HA ALA A 60 8.380 2.177 2.358 1.00 45.03 H new ATOM 0 HB1 ALA A 60 8.636 -0.219 2.988 1.00 52.13 H new ATOM 0 HB2 ALA A 60 7.199 0.513 3.740 1.00 52.13 H new ATOM 0 HB3 ALA A 60 7.018 -0.551 2.325 1.00 52.13 H new ATOM 1008 N LYS A 61 7.897 0.151 -0.258 1.00 32.54 N ATOM 1009 CA LYS A 61 8.592 -0.358 -1.445 1.00 4.25 C ATOM 1010 C LYS A 61 9.053 0.779 -2.333 1.00 1.23 C ATOM 1011 O LYS A 61 10.051 0.616 -3.027 1.00 4.15 O ATOM 1012 CB LYS A 61 7.814 -1.444 -2.205 1.00 25.05 C ATOM 1013 CG LYS A 61 6.679 -0.999 -3.134 1.00 12.12 C ATOM 1014 CD LYS A 61 7.124 -0.514 -4.520 1.00 24.13 C ATOM 1015 CE LYS A 61 6.017 -0.046 -5.465 1.00 72.32 C ATOM 1016 NZ LYS A 61 5.099 -1.126 -5.862 1.00 34.22 N ATOM 0 H LYS A 61 6.944 -0.193 -0.142 1.00 32.54 H new ATOM 0 HA LYS A 61 9.483 -0.874 -1.087 1.00 4.25 H new ATOM 0 HB2 LYS A 61 8.529 -2.012 -2.800 1.00 25.05 H new ATOM 0 HB3 LYS A 61 7.394 -2.130 -1.470 1.00 25.05 H new ATOM 0 HG2 LYS A 61 5.988 -1.832 -3.262 1.00 12.12 H new ATOM 0 HG3 LYS A 61 6.125 -0.197 -2.646 1.00 12.12 H new ATOM 0 HD2 LYS A 61 7.827 0.308 -4.385 1.00 24.13 H new ATOM 0 HD3 LYS A 61 7.669 -1.323 -5.006 1.00 24.13 H new ATOM 0 HE2 LYS A 61 5.447 0.747 -4.982 1.00 72.32 H new ATOM 0 HE3 LYS A 61 6.469 0.385 -6.358 1.00 72.32 H new ATOM 0 HZ1 LYS A 61 4.424 -0.766 -6.567 1.00 34.22 H new ATOM 0 HZ2 LYS A 61 5.644 -1.911 -6.273 1.00 34.22 H new ATOM 0 HZ3 LYS A 61 4.580 -1.465 -5.027 1.00 34.22 H new ATOM 1030 N TRP A 62 8.319 1.891 -2.345 1.00 45.33 N ATOM 1031 CA TRP A 62 8.683 3.058 -3.118 1.00 22.31 C ATOM 1032 C TRP A 62 9.686 3.912 -2.334 1.00 61.41 C ATOM 1033 O TRP A 62 10.711 4.288 -2.891 1.00 11.05 O ATOM 1034 CB TRP A 62 7.411 3.807 -3.528 1.00 62.42 C ATOM 1035 CG TRP A 62 7.537 4.560 -4.818 1.00 23.45 C ATOM 1036 CD1 TRP A 62 7.069 4.152 -6.018 1.00 70.11 C ATOM 1037 CD2 TRP A 62 8.249 5.800 -5.086 1.00 41.34 C ATOM 1038 NE1 TRP A 62 7.371 5.091 -6.985 1.00 24.44 N ATOM 1039 CE2 TRP A 62 8.109 6.127 -6.465 1.00 4.22 C ATOM 1040 CE3 TRP A 62 9.031 6.665 -4.302 1.00 21.44 C ATOM 1041 CZ2 TRP A 62 8.663 7.291 -7.017 1.00 64.33 C ATOM 1042 CZ3 TRP A 62 9.677 7.781 -4.864 1.00 65.34 C ATOM 1043 CH2 TRP A 62 9.461 8.120 -6.211 1.00 63.01 C ATOM 0 H TRP A 62 7.455 1.999 -1.815 1.00 45.33 H new ATOM 0 HA TRP A 62 9.190 2.775 -4.040 1.00 22.31 H new ATOM 0 HB2 TRP A 62 6.593 3.092 -3.615 1.00 62.42 H new ATOM 0 HB3 TRP A 62 7.142 4.506 -2.736 1.00 62.42 H new ATOM 0 HD1 TRP A 62 6.538 3.229 -6.195 1.00 70.11 H new ATOM 0 HE1 TRP A 62 7.083 5.024 -7.961 1.00 24.44 H new ATOM 0 HE3 TRP A 62 9.138 6.469 -3.245 1.00 21.44 H new ATOM 0 HZ2 TRP A 62 8.478 7.547 -8.050 1.00 64.33 H new ATOM 0 HZ3 TRP A 62 10.341 8.380 -4.258 1.00 65.34 H new ATOM 0 HH2 TRP A 62 9.906 9.013 -6.624 1.00 63.01 H new ATOM 1054 N LYS A 63 9.458 4.204 -1.044 1.00 13.23 N ATOM 1055 CA LYS A 63 10.392 5.009 -0.243 1.00 5.13 C ATOM 1056 C LYS A 63 11.793 4.416 -0.229 1.00 1.31 C ATOM 1057 O LYS A 63 12.749 5.183 -0.181 1.00 1.45 O ATOM 1058 CB LYS A 63 9.909 5.181 1.210 1.00 10.24 C ATOM 1059 CG LYS A 63 8.962 6.381 1.415 1.00 61.40 C ATOM 1060 CD LYS A 63 9.312 7.169 2.691 1.00 64.54 C ATOM 1061 CE LYS A 63 10.573 8.022 2.466 1.00 72.44 C ATOM 1062 NZ LYS A 63 11.203 8.473 3.727 1.00 62.24 N ATOM 0 H LYS A 63 8.632 3.893 -0.533 1.00 13.23 H new ATOM 0 HA LYS A 63 10.425 5.986 -0.725 1.00 5.13 H new ATOM 0 HB2 LYS A 63 9.399 4.270 1.523 1.00 10.24 H new ATOM 0 HB3 LYS A 63 10.776 5.300 1.859 1.00 10.24 H new ATOM 0 HG2 LYS A 63 9.020 7.043 0.551 1.00 61.40 H new ATOM 0 HG3 LYS A 63 7.933 6.027 1.476 1.00 61.40 H new ATOM 0 HD2 LYS A 63 8.476 7.811 2.970 1.00 64.54 H new ATOM 0 HD3 LYS A 63 9.475 6.479 3.519 1.00 64.54 H new ATOM 0 HE2 LYS A 63 11.297 7.444 1.892 1.00 72.44 H new ATOM 0 HE3 LYS A 63 10.312 8.893 1.865 1.00 72.44 H new ATOM 0 HZ1 LYS A 63 12.046 9.042 3.510 1.00 62.24 H new ATOM 0 HZ2 LYS A 63 10.526 9.049 4.267 1.00 62.24 H new ATOM 0 HZ3 LYS A 63 11.480 7.645 4.292 1.00 62.24 H new ATOM 1076 N ARG A 64 11.947 3.095 -0.277 1.00 25.51 N ATOM 1077 CA ARG A 64 13.277 2.493 -0.256 1.00 61.32 C ATOM 1078 C ARG A 64 14.098 2.819 -1.505 1.00 22.23 C ATOM 1079 O ARG A 64 15.321 2.739 -1.465 1.00 13.42 O ATOM 1080 CB ARG A 64 13.163 1.003 0.058 1.00 72.51 C ATOM 1081 CG ARG A 64 13.142 0.170 -1.206 1.00 70.32 C ATOM 1082 CD ARG A 64 12.755 -1.272 -0.908 1.00 33.52 C ATOM 1083 NE ARG A 64 13.087 -2.135 -2.045 1.00 4.31 N ATOM 1084 CZ ARG A 64 12.517 -3.302 -2.336 1.00 72.34 C ATOM 1085 NH1 ARG A 64 11.504 -3.772 -1.618 1.00 10.00 N ATOM 1086 NH2 ARG A 64 12.970 -4.025 -3.346 1.00 43.43 N ATOM 0 H ARG A 64 11.177 2.428 -0.330 1.00 25.51 H new ATOM 0 HA ARG A 64 13.856 2.945 0.550 1.00 61.32 H new ATOM 0 HB2 ARG A 64 14.002 0.697 0.683 1.00 72.51 H new ATOM 0 HB3 ARG A 64 12.254 0.819 0.631 1.00 72.51 H new ATOM 0 HG2 ARG A 64 12.436 0.600 -1.916 1.00 70.32 H new ATOM 0 HG3 ARG A 64 14.124 0.196 -1.678 1.00 70.32 H new ATOM 0 HD2 ARG A 64 13.277 -1.618 -0.016 1.00 33.52 H new ATOM 0 HD3 ARG A 64 11.687 -1.333 -0.697 1.00 33.52 H new ATOM 0 HE ARG A 64 13.824 -1.811 -2.672 1.00 4.31 H new ATOM 0 HH11 ARG A 64 11.148 -3.236 -0.826 1.00 10.00 H new ATOM 0 HH12 ARG A 64 11.081 -4.669 -1.858 1.00 10.00 H new ATOM 0 HH21 ARG A 64 13.756 -3.688 -3.902 1.00 43.43 H new ATOM 0 HH22 ARG A 64 12.533 -4.919 -3.569 1.00 43.43 H new ATOM 1100 N ILE A 65 13.433 3.154 -2.605 1.00 54.42 N ATOM 1101 CA ILE A 65 14.062 3.460 -3.891 1.00 45.00 C ATOM 1102 C ILE A 65 14.830 4.785 -3.813 1.00 34.51 C ATOM 1103 O ILE A 65 15.798 4.961 -4.551 1.00 71.43 O ATOM 1104 CB ILE A 65 13.010 3.472 -5.031 1.00 33.15 C ATOM 1105 CG1 ILE A 65 12.275 2.113 -5.096 1.00 70.22 C ATOM 1106 CG2 ILE A 65 13.664 3.822 -6.374 1.00 2.22 C ATOM 1107 CD1 ILE A 65 11.113 2.048 -6.098 1.00 33.13 C ATOM 0 H ILE A 65 12.416 3.223 -2.631 1.00 54.42 H new ATOM 0 HA ILE A 65 14.782 2.674 -4.121 1.00 45.00 H new ATOM 0 HB ILE A 65 12.272 4.245 -4.817 1.00 33.15 H new ATOM 0 HG12 ILE A 65 12.998 1.338 -5.351 1.00 70.22 H new ATOM 0 HG13 ILE A 65 11.892 1.877 -4.103 1.00 70.22 H new ATOM 0 HG21 ILE A 65 12.907 3.824 -7.158 1.00 2.22 H new ATOM 0 HG22 ILE A 65 14.122 4.809 -6.309 1.00 2.22 H new ATOM 0 HG23 ILE A 65 14.429 3.082 -6.610 1.00 2.22 H new ATOM 0 HD11 ILE A 65 10.663 1.056 -6.069 1.00 33.13 H new ATOM 0 HD12 ILE A 65 10.364 2.795 -5.835 1.00 33.13 H new ATOM 0 HD13 ILE A 65 11.487 2.248 -7.102 1.00 33.13 H new ATOM 1119 N LYS A 66 14.414 5.693 -2.924 1.00 12.05 N ATOM 1120 CA LYS A 66 14.966 7.021 -2.704 1.00 23.45 C ATOM 1121 C LYS A 66 16.437 6.910 -2.313 1.00 24.55 C ATOM 1122 O LYS A 66 16.785 6.832 -1.133 1.00 70.42 O ATOM 1123 CB LYS A 66 14.161 7.779 -1.638 1.00 52.00 C ATOM 1124 CG LYS A 66 12.765 8.253 -2.079 1.00 2.04 C ATOM 1125 CD LYS A 66 12.637 9.782 -2.196 1.00 13.14 C ATOM 1126 CE LYS A 66 12.501 10.536 -0.857 1.00 61.54 C ATOM 1127 NZ LYS A 66 13.765 10.639 -0.093 1.00 51.12 N ATOM 0 H LYS A 66 13.630 5.500 -2.301 1.00 12.05 H new ATOM 0 HA LYS A 66 14.896 7.591 -3.630 1.00 23.45 H new ATOM 0 HB2 LYS A 66 14.049 7.135 -0.766 1.00 52.00 H new ATOM 0 HB3 LYS A 66 14.738 8.648 -1.321 1.00 52.00 H new ATOM 0 HG2 LYS A 66 12.526 7.803 -3.043 1.00 2.04 H new ATOM 0 HG3 LYS A 66 12.026 7.889 -1.365 1.00 2.04 H new ATOM 0 HD2 LYS A 66 13.512 10.164 -2.722 1.00 13.14 H new ATOM 0 HD3 LYS A 66 11.768 10.011 -2.813 1.00 13.14 H new ATOM 0 HE2 LYS A 66 12.124 11.540 -1.054 1.00 61.54 H new ATOM 0 HE3 LYS A 66 11.756 10.031 -0.241 1.00 61.54 H new ATOM 0 HZ1 LYS A 66 13.746 11.496 0.496 1.00 51.12 H new ATOM 0 HZ2 LYS A 66 13.872 9.802 0.516 1.00 51.12 H new ATOM 0 HZ3 LYS A 66 14.567 10.691 -0.754 1.00 51.12 H new ATOM 1141 N ALA A 67 17.282 6.884 -3.332 1.00 21.42 N ATOM 1142 CA ALA A 67 18.733 6.780 -3.259 1.00 62.34 C ATOM 1143 C ALA A 67 19.334 7.849 -2.345 1.00 53.20 C ATOM 1144 O ALA A 67 20.221 7.561 -1.541 1.00 53.22 O ATOM 1145 CB ALA A 67 19.314 6.873 -4.676 1.00 62.20 C ATOM 0 H ALA A 67 16.952 6.939 -4.295 1.00 21.42 H new ATOM 0 HA ALA A 67 18.994 5.816 -2.823 1.00 62.34 H new ATOM 0 HB1 ALA A 67 20.400 6.796 -4.630 1.00 62.20 H new ATOM 0 HB2 ALA A 67 18.918 6.061 -5.286 1.00 62.20 H new ATOM 0 HB3 ALA A 67 19.037 7.829 -5.121 1.00 62.20 H new ATOM 1151 N GLY A 68 18.821 9.077 -2.422 1.00 74.10 N ATOM 1152 CA GLY A 68 19.461 10.217 -1.781 1.00 12.31 C ATOM 1153 C GLY A 68 20.803 10.479 -2.454 1.00 4.35 C ATOM 1154 O GLY A 68 20.930 10.290 -3.663 1.00 21.11 O ATOM 0 H GLY A 68 17.962 9.304 -2.924 1.00 74.10 H new ATOM 0 HA2 GLY A 68 18.824 11.098 -1.857 1.00 12.31 H new ATOM 0 HA3 GLY A 68 19.605 10.019 -0.719 1.00 12.31 H new ATOM 1158 N ASN A 69 21.774 11.014 -1.717 1.00 64.12 N ATOM 1159 CA ASN A 69 23.166 11.129 -2.158 1.00 31.31 C ATOM 1160 C ASN A 69 24.056 11.189 -0.915 1.00 22.44 C ATOM 1161 O ASN A 69 24.941 12.030 -0.780 1.00 44.00 O ATOM 1162 CB ASN A 69 23.378 12.348 -3.066 1.00 72.24 C ATOM 1163 CG ASN A 69 24.699 12.260 -3.822 1.00 33.32 C ATOM 1164 OD1 ASN A 69 25.606 13.058 -3.609 1.00 34.42 O ATOM 1165 ND2 ASN A 69 24.831 11.325 -4.748 1.00 21.45 N ATOM 0 H ASN A 69 21.615 11.386 -0.781 1.00 64.12 H new ATOM 0 HA ASN A 69 23.432 10.259 -2.759 1.00 31.31 H new ATOM 0 HB2 ASN A 69 22.555 12.421 -3.777 1.00 72.24 H new ATOM 0 HB3 ASN A 69 23.361 13.257 -2.465 1.00 72.24 H new ATOM 0 HD21 ASN A 69 25.692 11.263 -5.291 1.00 21.45 H new ATOM 0 HD22 ASN A 69 24.072 10.665 -4.919 1.00 21.45 H new ATOM 1172 N VAL A 70 23.756 10.315 0.045 1.00 14.11 N ATOM 1173 CA VAL A 70 24.617 10.042 1.193 1.00 63.22 C ATOM 1174 C VAL A 70 25.797 9.141 0.773 1.00 70.44 C ATOM 1175 O VAL A 70 26.737 8.926 1.541 1.00 25.54 O ATOM 1176 CB VAL A 70 23.728 9.441 2.302 1.00 73.53 C ATOM 1177 CG1 VAL A 70 23.313 7.988 2.019 1.00 42.03 C ATOM 1178 CG2 VAL A 70 24.355 9.586 3.689 1.00 62.22 C ATOM 0 H VAL A 70 22.895 9.769 0.046 1.00 14.11 H new ATOM 0 HA VAL A 70 25.079 10.948 1.584 1.00 63.22 H new ATOM 0 HB VAL A 70 22.811 10.031 2.296 1.00 73.53 H new ATOM 0 HG11 VAL A 70 22.690 7.622 2.835 1.00 42.03 H new ATOM 0 HG12 VAL A 70 22.751 7.945 1.086 1.00 42.03 H new ATOM 0 HG13 VAL A 70 24.203 7.365 1.935 1.00 42.03 H new ATOM 0 HG21 VAL A 70 23.692 9.148 4.435 1.00 62.22 H new ATOM 0 HG22 VAL A 70 25.315 9.071 3.710 1.00 62.22 H new ATOM 0 HG23 VAL A 70 24.505 10.642 3.912 1.00 62.22 H new ATOM 1188 N SER A 71 25.729 8.596 -0.447 1.00 22.42 N ATOM 1189 CA SER A 71 26.840 7.983 -1.147 1.00 74.21 C ATOM 1190 C SER A 71 27.760 9.101 -1.582 1.00 52.24 C ATOM 1191 O SER A 71 28.978 9.015 -1.340 1.00 62.55 O ATOM 1192 CB SER A 71 26.316 7.219 -2.364 1.00 25.34 C ATOM 1193 OG SER A 71 25.555 8.106 -3.176 1.00 41.13 O ATOM 0 H SER A 71 24.863 8.574 -0.985 1.00 22.42 H new ATOM 0 HA SER A 71 27.372 7.278 -0.509 1.00 74.21 H new ATOM 0 HB2 SER A 71 27.147 6.805 -2.935 1.00 25.34 H new ATOM 0 HB3 SER A 71 25.700 6.379 -2.044 1.00 25.34 H new ATOM 0 HG SER A 71 25.217 7.624 -3.959 1.00 41.13 H new TER 1199 SER A 71