USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 970 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 NoAdj-H: A 46 HIS HD1 : A 46 HIS ND1 : A 121 CU1CU :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 121 CU1CU :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -152:sc= 1.25 (180deg=0.727) USER MOD Single : A 2 SER OG : rot -160:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 11 SER OG : rot -173:sc= 0.835 USER MOD Single : A 15 ASN : amide:sc= -0.0679 K(o=-0.068,f=-3.5!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -41:sc= 0.423 USER MOD Single : A 24 ASN : amide:sc= 0.337 K(o=0.34,f=-5.4!) USER MOD Single : A 37 THR OG1 : rot 87:sc= 0.39 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0838 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -110:sc= 0.242 (180deg=-1.09!) USER MOD Single : A 57 LYS NZ :NH3+ -122:sc= 0.43 (180deg=-0.249!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -169:sc=-6.01e-05 (180deg=-0.253) USER MOD Single : A 72 LYS NZ :NH3+ 155:sc= 0.272 (180deg=-0.706) USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.06) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 169:sc= -0.825 (180deg=-1.25) USER MOD Single : A 90 LYS NZ :NH3+ -145:sc= -0.777 (180deg=-1.32!) USER MOD Single : A 94 LYS NZ :NH3+ -173:sc= 0.989 (180deg=0.486) USER MOD Single : A 109 LYS NZ :NH3+ -148:sc= 1.14 (180deg=0.231) USER MOD Single : A 112 LYS NZ :NH3+ -153:sc= 1.27 (180deg=0.867) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.232 -7.233 6.814 1.00 13.16 N ATOM 2 CA GLY A 1 12.266 -8.036 7.577 1.00 12.81 C ATOM 3 C GLY A 1 10.909 -7.382 7.464 1.00 12.13 C ATOM 4 O GLY A 1 10.659 -6.715 6.469 1.00 12.76 O ATOM 0 H1 GLY A 1 14.001 -7.845 6.475 1.00 13.16 H new ATOM 0 H2 GLY A 1 12.754 -6.795 6.001 1.00 13.16 H new ATOM 0 H3 GLY A 1 13.625 -6.489 7.426 1.00 13.16 H new ATOM 0 HA2 GLY A 1 12.230 -9.054 7.190 1.00 12.81 H new ATOM 0 HA3 GLY A 1 12.569 -8.103 8.622 1.00 12.81 H new ATOM 10 N SER A 2 10.042 -7.572 8.448 1.00 11.14 N ATOM 11 CA SER A 2 8.673 -7.050 8.504 1.00 10.31 C ATOM 12 C SER A 2 8.071 -7.439 9.861 1.00 8.88 C ATOM 13 O SER A 2 8.415 -8.488 10.401 1.00 9.22 O ATOM 14 CB SER A 2 7.799 -7.563 7.335 1.00 11.53 C ATOM 15 OG SER A 2 7.800 -8.982 7.259 1.00 12.72 O ATOM 0 H SER A 2 10.281 -8.121 9.273 1.00 11.14 H new ATOM 0 HA SER A 2 8.700 -5.965 8.400 1.00 10.31 H new ATOM 0 HB2 SER A 2 6.777 -7.206 7.462 1.00 11.53 H new ATOM 0 HB3 SER A 2 8.167 -7.148 6.397 1.00 11.53 H new ATOM 0 HG SER A 2 7.521 -9.262 6.362 1.00 12.72 H new ATOM 21 N PHE A 3 7.223 -6.581 10.443 1.00 7.64 N ATOM 22 CA PHE A 3 6.856 -6.678 11.867 1.00 6.53 C ATOM 23 C PHE A 3 5.367 -6.404 12.149 1.00 5.85 C ATOM 24 O PHE A 3 4.992 -6.158 13.295 1.00 6.29 O ATOM 25 CB PHE A 3 7.774 -5.743 12.667 1.00 6.51 C ATOM 26 CG PHE A 3 9.200 -6.236 12.831 1.00 8.06 C ATOM 27 CD1 PHE A 3 9.538 -7.063 13.921 1.00 9.10 C ATOM 28 CD2 PHE A 3 10.196 -5.860 11.911 1.00 9.01 C ATOM 29 CE1 PHE A 3 10.863 -7.505 14.088 1.00 10.86 C ATOM 30 CE2 PHE A 3 11.519 -6.305 12.076 1.00 10.81 C ATOM 31 CZ PHE A 3 11.855 -7.126 13.167 1.00 11.66 C ATOM 0 H PHE A 3 6.775 -5.808 9.950 1.00 7.64 H new ATOM 0 HA PHE A 3 7.001 -7.711 12.184 1.00 6.53 H new ATOM 0 HB2 PHE A 3 7.795 -4.770 12.176 1.00 6.51 H new ATOM 0 HB3 PHE A 3 7.341 -5.591 13.656 1.00 6.51 H new ATOM 0 HD1 PHE A 3 8.778 -7.358 14.630 1.00 9.10 H new ATOM 0 HD2 PHE A 3 9.943 -5.226 11.074 1.00 9.01 H new ATOM 0 HE1 PHE A 3 11.119 -8.137 14.926 1.00 10.86 H new ATOM 0 HE2 PHE A 3 12.278 -6.016 11.364 1.00 10.81 H new ATOM 0 HZ PHE A 3 12.872 -7.464 13.297 1.00 11.66 H new ATOM 41 N THR A 4 4.504 -6.482 11.120 1.00 5.48 N ATOM 42 CA THR A 4 3.028 -6.333 11.208 1.00 5.58 C ATOM 43 C THR A 4 2.595 -4.859 11.284 1.00 3.80 C ATOM 44 O THR A 4 1.447 -4.573 11.600 1.00 4.62 O ATOM 45 CB THR A 4 2.406 -7.134 12.381 1.00 6.92 C ATOM 46 OG1 THR A 4 3.171 -8.276 12.696 1.00 7.63 O ATOM 47 CG2 THR A 4 1.017 -7.672 12.055 1.00 8.44 C ATOM 0 H THR A 4 4.820 -6.657 10.166 1.00 5.48 H new ATOM 0 HA THR A 4 2.642 -6.757 10.281 1.00 5.58 H new ATOM 0 HB THR A 4 2.370 -6.421 13.205 1.00 6.92 H new ATOM 0 HG1 THR A 4 2.751 -8.756 13.440 1.00 7.63 H new ATOM 0 HG21 THR A 4 0.630 -8.224 12.912 1.00 8.44 H new ATOM 0 HG22 THR A 4 0.349 -6.841 11.827 1.00 8.44 H new ATOM 0 HG23 THR A 4 1.077 -8.336 11.193 1.00 8.44 H new ATOM 55 N GLU A 5 3.496 -3.912 11.006 1.00 2.21 N ATOM 56 CA GLU A 5 3.280 -2.469 11.188 1.00 1.12 C ATOM 57 C GLU A 5 2.516 -1.885 9.983 1.00 0.87 C ATOM 58 O GLU A 5 3.064 -1.179 9.133 1.00 1.54 O ATOM 59 CB GLU A 5 4.606 -1.730 11.504 1.00 2.43 C ATOM 60 CG GLU A 5 5.706 -2.605 12.133 1.00 3.40 C ATOM 61 CD GLU A 5 6.927 -1.821 12.609 1.00 4.82 C ATOM 62 OE1 GLU A 5 6.906 -0.574 12.627 1.00 5.81 O ATOM 63 OE2 GLU A 5 7.969 -2.461 12.864 1.00 5.55 O ATOM 0 H GLU A 5 4.422 -4.131 10.638 1.00 2.21 H new ATOM 0 HA GLU A 5 2.649 -2.312 12.063 1.00 1.12 H new ATOM 0 HB2 GLU A 5 4.991 -1.296 10.581 1.00 2.43 H new ATOM 0 HB3 GLU A 5 4.391 -0.902 12.180 1.00 2.43 H new ATOM 0 HG2 GLU A 5 5.284 -3.149 12.978 1.00 3.40 H new ATOM 0 HG3 GLU A 5 6.026 -3.348 11.403 1.00 3.40 H new ATOM 70 N GLY A 6 1.247 -2.279 9.844 1.00 1.11 N ATOM 71 CA GLY A 6 0.357 -1.851 8.766 1.00 0.87 C ATOM 72 C GLY A 6 -1.118 -1.991 9.114 1.00 0.95 C ATOM 73 O GLY A 6 -1.469 -2.484 10.187 1.00 1.40 O ATOM 0 H GLY A 6 0.800 -2.922 10.497 1.00 1.11 H new ATOM 0 HA2 GLY A 6 0.568 -0.810 8.521 1.00 0.87 H new ATOM 0 HA3 GLY A 6 0.570 -2.438 7.873 1.00 0.87 H new ATOM 77 N TRP A 7 -1.977 -1.614 8.168 1.00 0.72 N ATOM 78 CA TRP A 7 -3.408 -1.885 8.230 1.00 0.81 C ATOM 79 C TRP A 7 -4.080 -1.883 6.850 1.00 0.67 C ATOM 80 O TRP A 7 -3.642 -1.193 5.927 1.00 0.62 O ATOM 81 CB TRP A 7 -4.102 -0.921 9.205 1.00 1.01 C ATOM 82 CG TRP A 7 -4.204 0.513 8.777 1.00 1.00 C ATOM 83 CD1 TRP A 7 -4.951 0.970 7.747 1.00 1.39 C ATOM 84 CD2 TRP A 7 -3.620 1.703 9.394 1.00 1.26 C ATOM 85 NE1 TRP A 7 -4.903 2.345 7.704 1.00 1.62 N ATOM 86 CE2 TRP A 7 -4.085 2.854 8.688 1.00 1.46 C ATOM 87 CE3 TRP A 7 -2.766 1.932 10.495 1.00 1.80 C ATOM 88 CZ2 TRP A 7 -3.724 4.161 9.051 1.00 1.83 C ATOM 89 CZ3 TRP A 7 -2.398 3.239 10.870 1.00 2.24 C ATOM 90 CH2 TRP A 7 -2.877 4.350 10.153 1.00 2.14 C ATOM 0 H TRP A 7 -1.694 -1.107 7.330 1.00 0.72 H new ATOM 0 HA TRP A 7 -3.523 -2.899 8.612 1.00 0.81 H new ATOM 0 HB2 TRP A 7 -5.110 -1.293 9.392 1.00 1.01 H new ATOM 0 HB3 TRP A 7 -3.569 -0.955 10.155 1.00 1.01 H new ATOM 0 HD1 TRP A 7 -5.504 0.348 7.059 1.00 1.39 H new ATOM 0 HE1 TRP A 7 -5.410 2.916 7.028 1.00 1.62 H new ATOM 0 HE3 TRP A 7 -2.389 1.091 11.059 1.00 1.80 H new ATOM 0 HZ2 TRP A 7 -4.093 5.008 8.491 1.00 1.83 H new ATOM 0 HZ3 TRP A 7 -1.743 3.389 11.715 1.00 2.24 H new ATOM 0 HH2 TRP A 7 -2.593 5.348 10.451 1.00 2.14 H new ATOM 101 N VAL A 8 -5.184 -2.614 6.712 1.00 0.78 N ATOM 102 CA VAL A 8 -6.031 -2.585 5.505 1.00 0.75 C ATOM 103 C VAL A 8 -7.252 -1.699 5.764 1.00 0.80 C ATOM 104 O VAL A 8 -7.846 -1.769 6.838 1.00 0.91 O ATOM 105 CB VAL A 8 -6.428 -4.016 5.093 1.00 0.87 C ATOM 106 CG1 VAL A 8 -7.516 -4.075 4.016 1.00 1.12 C ATOM 107 CG2 VAL A 8 -5.192 -4.756 4.563 1.00 0.87 C ATOM 0 H VAL A 8 -5.524 -3.249 7.434 1.00 0.78 H new ATOM 0 HA VAL A 8 -5.474 -2.157 4.671 1.00 0.75 H new ATOM 0 HB VAL A 8 -6.833 -4.485 5.990 1.00 0.87 H new ATOM 0 HG11 VAL A 8 -7.739 -5.116 3.781 1.00 1.12 H new ATOM 0 HG12 VAL A 8 -8.418 -3.584 4.382 1.00 1.12 H new ATOM 0 HG13 VAL A 8 -7.166 -3.567 3.117 1.00 1.12 H new ATOM 0 HG21 VAL A 8 -5.471 -5.768 4.271 1.00 0.87 H new ATOM 0 HG22 VAL A 8 -4.794 -4.226 3.698 1.00 0.87 H new ATOM 0 HG23 VAL A 8 -4.432 -4.800 5.343 1.00 0.87 H new ATOM 117 N ARG A 9 -7.606 -0.856 4.786 1.00 0.78 N ATOM 118 CA ARG A 9 -8.772 0.026 4.855 1.00 0.89 C ATOM 119 C ARG A 9 -10.056 -0.793 4.707 1.00 0.91 C ATOM 120 O ARG A 9 -10.349 -1.249 3.602 1.00 1.82 O ATOM 121 CB ARG A 9 -8.676 1.131 3.792 1.00 1.06 C ATOM 122 CG ARG A 9 -9.802 2.179 3.908 1.00 1.43 C ATOM 123 CD ARG A 9 -9.300 3.602 4.183 1.00 1.92 C ATOM 124 NE ARG A 9 -8.578 3.694 5.459 1.00 2.87 N ATOM 125 CZ ARG A 9 -7.791 4.665 5.895 1.00 4.53 C ATOM 126 NH1 ARG A 9 -7.557 5.757 5.197 1.00 5.46 N ATOM 127 NH2 ARG A 9 -7.240 4.515 7.074 1.00 5.90 N ATOM 0 H ARG A 9 -7.083 -0.768 3.915 1.00 0.78 H new ATOM 0 HA ARG A 9 -8.795 0.514 5.829 1.00 0.89 H new ATOM 0 HB2 ARG A 9 -7.711 1.631 3.882 1.00 1.06 H new ATOM 0 HB3 ARG A 9 -8.709 0.678 2.801 1.00 1.06 H new ATOM 0 HG2 ARG A 9 -10.380 2.180 2.984 1.00 1.43 H new ATOM 0 HG3 ARG A 9 -10.480 1.882 4.708 1.00 1.43 H new ATOM 0 HD2 ARG A 9 -8.644 3.918 3.372 1.00 1.92 H new ATOM 0 HD3 ARG A 9 -10.146 4.289 4.195 1.00 1.92 H new ATOM 0 HE ARG A 9 -8.699 2.905 6.093 1.00 2.87 H new ATOM 0 HH11 ARG A 9 -7.990 5.880 4.281 1.00 5.46 H new ATOM 0 HH12 ARG A 9 -6.943 6.480 5.572 1.00 5.46 H new ATOM 0 HH21 ARG A 9 -7.424 3.673 7.620 1.00 5.90 H new ATOM 0 HH22 ARG A 9 -6.627 5.240 7.446 1.00 5.90 H new ATOM 141 N PHE A 10 -10.819 -0.932 5.794 1.00 0.86 N ATOM 142 CA PHE A 10 -12.069 -1.697 5.863 1.00 0.76 C ATOM 143 C PHE A 10 -13.014 -1.407 4.682 1.00 0.86 C ATOM 144 O PHE A 10 -13.287 -0.243 4.386 1.00 1.25 O ATOM 145 CB PHE A 10 -12.732 -1.433 7.240 1.00 0.90 C ATOM 146 CG PHE A 10 -14.246 -1.338 7.257 1.00 1.02 C ATOM 147 CD1 PHE A 10 -15.001 -2.386 6.714 1.00 1.40 C ATOM 148 CD2 PHE A 10 -14.900 -0.188 7.738 1.00 2.11 C ATOM 149 CE1 PHE A 10 -16.383 -2.250 6.533 1.00 1.59 C ATOM 150 CE2 PHE A 10 -16.297 -0.075 7.621 1.00 2.27 C ATOM 151 CZ PHE A 10 -17.040 -1.098 7.001 1.00 1.49 C ATOM 0 H PHE A 10 -10.575 -0.499 6.685 1.00 0.86 H new ATOM 0 HA PHE A 10 -11.841 -2.759 5.774 1.00 0.76 H new ATOM 0 HB2 PHE A 10 -12.433 -2.230 7.921 1.00 0.90 H new ATOM 0 HB3 PHE A 10 -12.328 -0.503 7.640 1.00 0.90 H new ATOM 0 HD1 PHE A 10 -14.513 -3.307 6.432 1.00 1.40 H new ATOM 0 HD2 PHE A 10 -14.330 0.606 8.196 1.00 2.11 H new ATOM 0 HE1 PHE A 10 -16.943 -3.028 6.035 1.00 1.59 H new ATOM 0 HE2 PHE A 10 -16.801 0.798 8.008 1.00 2.27 H new ATOM 0 HZ PHE A 10 -18.109 -0.998 6.885 1.00 1.49 H new ATOM 161 N SER A 11 -13.594 -2.451 4.072 1.00 0.96 N ATOM 162 CA SER A 11 -14.704 -2.315 3.124 1.00 1.31 C ATOM 163 C SER A 11 -15.669 -3.523 3.082 1.00 1.56 C ATOM 164 O SER A 11 -15.242 -4.672 3.209 1.00 1.79 O ATOM 165 CB SER A 11 -14.114 -2.057 1.728 1.00 1.66 C ATOM 166 OG SER A 11 -15.100 -1.807 0.744 1.00 2.75 O ATOM 0 H SER A 11 -13.303 -3.417 4.225 1.00 0.96 H new ATOM 0 HA SER A 11 -15.316 -1.480 3.465 1.00 1.31 H new ATOM 0 HB2 SER A 11 -13.436 -1.205 1.779 1.00 1.66 H new ATOM 0 HB3 SER A 11 -13.520 -2.920 1.427 1.00 1.66 H new ATOM 0 HG SER A 11 -14.676 -1.757 -0.138 1.00 2.75 H new ATOM 172 N PRO A 12 -16.985 -3.290 2.895 1.00 1.68 N ATOM 173 CA PRO A 12 -17.955 -4.339 2.585 1.00 1.96 C ATOM 174 C PRO A 12 -18.044 -4.616 1.071 1.00 2.05 C ATOM 175 O PRO A 12 -18.804 -5.495 0.668 1.00 2.77 O ATOM 176 CB PRO A 12 -19.280 -3.780 3.113 1.00 2.12 C ATOM 177 CG PRO A 12 -19.162 -2.289 2.790 1.00 2.01 C ATOM 178 CD PRO A 12 -17.673 -2.005 2.999 1.00 1.71 C ATOM 0 HA PRO A 12 -17.681 -5.293 3.035 1.00 1.96 H new ATOM 0 HB2 PRO A 12 -20.138 -4.236 2.619 1.00 2.12 H new ATOM 0 HB3 PRO A 12 -19.397 -3.956 4.182 1.00 2.12 H new ATOM 0 HG2 PRO A 12 -19.474 -2.072 1.768 1.00 2.01 H new ATOM 0 HG3 PRO A 12 -19.784 -1.683 3.449 1.00 2.01 H new ATOM 0 HD2 PRO A 12 -17.303 -1.305 2.249 1.00 1.71 H new ATOM 0 HD3 PRO A 12 -17.498 -1.550 3.974 1.00 1.71 H new ATOM 186 N GLY A 13 -17.336 -3.842 0.236 1.00 1.48 N ATOM 187 CA GLY A 13 -17.471 -3.829 -1.225 1.00 1.52 C ATOM 188 C GLY A 13 -16.334 -4.547 -1.967 1.00 1.35 C ATOM 189 O GLY A 13 -15.448 -5.116 -1.332 1.00 1.41 O ATOM 0 H GLY A 13 -16.630 -3.186 0.572 1.00 1.48 H new ATOM 0 HA2 GLY A 13 -18.418 -4.295 -1.496 1.00 1.52 H new ATOM 0 HA3 GLY A 13 -17.516 -2.795 -1.566 1.00 1.52 H new ATOM 193 N PRO A 14 -16.332 -4.515 -3.316 1.00 1.30 N ATOM 194 CA PRO A 14 -15.362 -5.225 -4.158 1.00 1.28 C ATOM 195 C PRO A 14 -13.944 -4.630 -4.132 1.00 1.09 C ATOM 196 O PRO A 14 -13.007 -5.260 -4.624 1.00 1.11 O ATOM 197 CB PRO A 14 -15.933 -5.133 -5.574 1.00 1.41 C ATOM 198 CG PRO A 14 -16.759 -3.849 -5.560 1.00 1.40 C ATOM 199 CD PRO A 14 -17.312 -3.818 -4.140 1.00 1.40 C ATOM 0 HA PRO A 14 -15.239 -6.244 -3.791 1.00 1.28 H new ATOM 0 HB2 PRO A 14 -15.141 -5.089 -6.321 1.00 1.41 H new ATOM 0 HB3 PRO A 14 -16.549 -6.000 -5.813 1.00 1.41 H new ATOM 0 HG2 PRO A 14 -16.148 -2.973 -5.775 1.00 1.40 H new ATOM 0 HG3 PRO A 14 -17.555 -3.872 -6.304 1.00 1.40 H new ATOM 0 HD2 PRO A 14 -17.452 -2.793 -3.797 1.00 1.40 H new ATOM 0 HD3 PRO A 14 -18.285 -4.307 -4.089 1.00 1.40 H new ATOM 207 N ASN A 15 -13.802 -3.409 -3.621 1.00 1.03 N ATOM 208 CA ASN A 15 -12.606 -2.590 -3.628 1.00 0.81 C ATOM 209 C ASN A 15 -12.241 -1.984 -2.252 1.00 0.69 C ATOM 210 O ASN A 15 -13.095 -1.770 -1.385 1.00 0.96 O ATOM 211 CB ASN A 15 -12.791 -1.511 -4.709 1.00 1.00 C ATOM 212 CG ASN A 15 -14.084 -0.687 -4.682 1.00 1.48 C ATOM 213 OD1 ASN A 15 -15.017 -0.927 -3.927 1.00 2.46 O ATOM 214 ND2 ASN A 15 -14.178 0.302 -5.556 1.00 1.54 N ATOM 0 H ASN A 15 -14.580 -2.938 -3.159 1.00 1.03 H new ATOM 0 HA ASN A 15 -11.751 -3.226 -3.859 1.00 0.81 H new ATOM 0 HB2 ASN A 15 -11.951 -0.819 -4.639 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -12.724 -1.997 -5.682 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -15.028 0.864 -5.600 1.00 1.54 H new ATOM 0 HD22 ASN A 15 -13.401 0.502 -6.185 1.00 1.54 H new ATOM 221 N ALA A 16 -10.936 -1.720 -2.076 1.00 0.47 N ATOM 222 CA ALA A 16 -10.266 -1.286 -0.840 1.00 0.44 C ATOM 223 C ALA A 16 -8.914 -0.571 -1.095 1.00 0.41 C ATOM 224 O ALA A 16 -8.522 -0.342 -2.241 1.00 0.39 O ATOM 225 CB ALA A 16 -10.118 -2.505 0.082 1.00 0.50 C ATOM 0 H ALA A 16 -10.275 -1.811 -2.848 1.00 0.47 H new ATOM 0 HA ALA A 16 -10.883 -0.531 -0.354 1.00 0.44 H new ATOM 0 HB1 ALA A 16 -9.623 -2.205 1.005 1.00 0.50 H new ATOM 0 HB2 ALA A 16 -11.104 -2.908 0.313 1.00 0.50 H new ATOM 0 HB3 ALA A 16 -9.522 -3.269 -0.417 1.00 0.50 H new ATOM 231 N ALA A 17 -8.199 -0.214 -0.020 1.00 0.45 N ATOM 232 CA ALA A 17 -6.835 0.340 -0.009 1.00 0.44 C ATOM 233 C ALA A 17 -6.023 -0.307 1.132 1.00 0.47 C ATOM 234 O ALA A 17 -6.623 -0.736 2.117 1.00 0.58 O ATOM 235 CB ALA A 17 -6.917 1.852 0.254 1.00 0.55 C ATOM 0 H ALA A 17 -8.578 -0.309 0.922 1.00 0.45 H new ATOM 0 HA ALA A 17 -6.354 0.141 -0.967 1.00 0.44 H new ATOM 0 HB1 ALA A 17 -5.912 2.274 0.265 1.00 0.55 H new ATOM 0 HB2 ALA A 17 -7.502 2.327 -0.533 1.00 0.55 H new ATOM 0 HB3 ALA A 17 -7.395 2.028 1.218 1.00 0.55 H new ATOM 241 N ALA A 18 -4.688 -0.313 1.069 1.00 0.48 N ATOM 242 CA ALA A 18 -3.821 -0.910 2.101 1.00 0.50 C ATOM 243 C ALA A 18 -2.564 -0.064 2.397 1.00 0.46 C ATOM 244 O ALA A 18 -2.081 0.666 1.522 1.00 0.55 O ATOM 245 CB ALA A 18 -3.463 -2.341 1.666 1.00 0.55 C ATOM 0 H ALA A 18 -4.169 0.100 0.294 1.00 0.48 H new ATOM 0 HA ALA A 18 -4.368 -0.937 3.044 1.00 0.50 H new ATOM 0 HB1 ALA A 18 -2.821 -2.800 2.418 1.00 0.55 H new ATOM 0 HB2 ALA A 18 -4.375 -2.928 1.560 1.00 0.55 H new ATOM 0 HB3 ALA A 18 -2.939 -2.311 0.711 1.00 0.55 H new ATOM 251 N TYR A 19 -2.046 -0.182 3.628 1.00 0.51 N ATOM 252 CA TYR A 19 -0.896 0.549 4.189 1.00 0.57 C ATOM 253 C TYR A 19 -0.019 -0.389 5.046 1.00 0.68 C ATOM 254 O TYR A 19 -0.552 -1.280 5.706 1.00 1.27 O ATOM 255 CB TYR A 19 -1.405 1.677 5.101 1.00 0.65 C ATOM 256 CG TYR A 19 -2.436 2.612 4.500 1.00 0.81 C ATOM 257 CD1 TYR A 19 -3.808 2.299 4.586 1.00 1.94 C ATOM 258 CD2 TYR A 19 -2.029 3.818 3.901 1.00 2.14 C ATOM 259 CE1 TYR A 19 -4.773 3.190 4.079 1.00 2.16 C ATOM 260 CE2 TYR A 19 -2.989 4.731 3.424 1.00 2.34 C ATOM 261 CZ TYR A 19 -4.362 4.411 3.499 1.00 1.56 C ATOM 262 OH TYR A 19 -5.289 5.274 3.008 1.00 1.98 O ATOM 0 H TYR A 19 -2.444 -0.833 4.305 1.00 0.51 H new ATOM 0 HA TYR A 19 -0.310 0.948 3.361 1.00 0.57 H new ATOM 0 HB2 TYR A 19 -1.832 1.226 5.997 1.00 0.65 H new ATOM 0 HB3 TYR A 19 -0.549 2.271 5.421 1.00 0.65 H new ATOM 0 HD1 TYR A 19 -4.120 1.372 5.043 1.00 1.94 H new ATOM 0 HD2 TYR A 19 -0.977 4.044 3.807 1.00 2.14 H new ATOM 0 HE1 TYR A 19 -5.823 2.941 4.133 1.00 2.16 H new ATOM 0 HE2 TYR A 19 -2.676 5.674 3.002 1.00 2.34 H new ATOM 0 HH TYR A 19 -4.839 6.066 2.645 1.00 1.98 H new ATOM 272 N LEU A 20 1.312 -0.189 5.084 1.00 1.18 N ATOM 273 CA LEU A 20 2.273 -1.122 5.700 1.00 1.22 C ATOM 274 C LEU A 20 3.723 -0.609 5.777 1.00 1.09 C ATOM 275 O LEU A 20 4.066 0.434 5.208 1.00 1.07 O ATOM 276 CB LEU A 20 2.195 -2.533 5.059 1.00 1.35 C ATOM 277 CG LEU A 20 2.541 -2.644 3.557 1.00 1.23 C ATOM 278 CD1 LEU A 20 2.740 -4.123 3.210 1.00 2.28 C ATOM 279 CD2 LEU A 20 1.447 -2.095 2.625 1.00 2.18 C ATOM 0 H LEU A 20 1.756 0.637 4.682 1.00 1.18 H new ATOM 0 HA LEU A 20 1.954 -1.197 6.740 1.00 1.22 H new ATOM 0 HB2 LEU A 20 2.865 -3.192 5.610 1.00 1.35 H new ATOM 0 HB3 LEU A 20 1.184 -2.914 5.202 1.00 1.35 H new ATOM 0 HG LEU A 20 3.439 -2.046 3.401 1.00 1.23 H new ATOM 0 HD11 LEU A 20 2.985 -4.219 2.152 1.00 2.28 H new ATOM 0 HD12 LEU A 20 3.554 -4.531 3.809 1.00 2.28 H new ATOM 0 HD13 LEU A 20 1.823 -4.673 3.421 1.00 2.28 H new ATOM 0 HD21 LEU A 20 1.762 -2.208 1.588 1.00 2.18 H new ATOM 0 HD22 LEU A 20 0.521 -2.648 2.785 1.00 2.18 H new ATOM 0 HD23 LEU A 20 1.281 -1.040 2.841 1.00 2.18 H new ATOM 291 N THR A 21 4.545 -1.401 6.478 1.00 1.12 N ATOM 292 CA THR A 21 5.955 -1.197 6.833 1.00 1.20 C ATOM 293 C THR A 21 6.852 -1.482 5.641 1.00 1.24 C ATOM 294 O THR A 21 6.598 -2.433 4.898 1.00 1.63 O ATOM 295 CB THR A 21 6.376 -2.111 8.012 1.00 1.71 C ATOM 296 OG1 THR A 21 5.273 -2.732 8.629 1.00 2.90 O ATOM 297 CG2 THR A 21 7.248 -1.380 9.029 1.00 1.88 C ATOM 0 H THR A 21 4.205 -2.289 6.847 1.00 1.12 H new ATOM 0 HA THR A 21 6.067 -0.156 7.135 1.00 1.20 H new ATOM 0 HB THR A 21 6.986 -2.903 7.578 1.00 1.71 H new ATOM 0 HG1 THR A 21 4.539 -2.088 8.711 1.00 2.90 H new ATOM 0 HG21 THR A 21 7.517 -2.063 9.835 1.00 1.88 H new ATOM 0 HG22 THR A 21 8.154 -1.021 8.540 1.00 1.88 H new ATOM 0 HG23 THR A 21 6.697 -0.533 9.439 1.00 1.88 H new ATOM 305 N LEU A 22 7.925 -0.700 5.494 1.00 1.49 N ATOM 306 CA LEU A 22 8.967 -0.973 4.506 1.00 1.80 C ATOM 307 C LEU A 22 10.335 -0.737 5.128 1.00 1.54 C ATOM 308 O LEU A 22 10.739 0.401 5.355 1.00 1.57 O ATOM 309 CB LEU A 22 8.778 -0.108 3.248 1.00 2.42 C ATOM 310 CG LEU A 22 9.233 -0.750 1.924 1.00 2.85 C ATOM 311 CD1 LEU A 22 10.606 -1.446 1.990 1.00 3.21 C ATOM 312 CD2 LEU A 22 8.181 -1.745 1.434 1.00 2.87 C ATOM 0 H LEU A 22 8.094 0.135 6.054 1.00 1.49 H new ATOM 0 HA LEU A 22 8.894 -2.016 4.198 1.00 1.80 H new ATOM 0 HB2 LEU A 22 7.723 0.150 3.162 1.00 2.42 H new ATOM 0 HB3 LEU A 22 9.324 0.825 3.385 1.00 2.42 H new ATOM 0 HG LEU A 22 9.344 0.077 1.222 1.00 2.85 H new ATOM 0 HD11 LEU A 22 10.846 -1.870 1.015 1.00 3.21 H new ATOM 0 HD12 LEU A 22 11.369 -0.719 2.268 1.00 3.21 H new ATOM 0 HD13 LEU A 22 10.575 -2.242 2.734 1.00 3.21 H new ATOM 0 HD21 LEU A 22 8.512 -2.193 0.497 1.00 2.87 H new ATOM 0 HD22 LEU A 22 8.043 -2.526 2.181 1.00 2.87 H new ATOM 0 HD23 LEU A 22 7.236 -1.226 1.273 1.00 2.87 H new ATOM 324 N GLU A 23 11.056 -1.834 5.322 1.00 1.40 N ATOM 325 CA GLU A 23 12.435 -1.851 5.803 1.00 1.22 C ATOM 326 C GLU A 23 13.353 -2.590 4.830 1.00 1.11 C ATOM 327 O GLU A 23 13.003 -3.640 4.286 1.00 1.26 O ATOM 328 CB GLU A 23 12.516 -2.479 7.202 1.00 1.39 C ATOM 329 CG GLU A 23 12.041 -3.929 7.281 1.00 2.03 C ATOM 330 CD GLU A 23 12.296 -4.474 8.676 1.00 2.44 C ATOM 331 OE1 GLU A 23 11.673 -3.956 9.625 1.00 2.71 O ATOM 332 OE2 GLU A 23 13.099 -5.431 8.767 1.00 3.45 O ATOM 0 H GLU A 23 10.686 -2.768 5.144 1.00 1.40 H new ATOM 0 HA GLU A 23 12.776 -0.818 5.867 1.00 1.22 H new ATOM 0 HB2 GLU A 23 13.549 -2.430 7.548 1.00 1.39 H new ATOM 0 HB3 GLU A 23 11.921 -1.878 7.890 1.00 1.39 H new ATOM 0 HG2 GLU A 23 10.978 -3.987 7.046 1.00 2.03 H new ATOM 0 HG3 GLU A 23 12.565 -4.535 6.542 1.00 2.03 H new ATOM 339 N ASN A 24 14.559 -2.059 4.641 1.00 1.01 N ATOM 340 CA ASN A 24 15.576 -2.651 3.781 1.00 0.90 C ATOM 341 C ASN A 24 16.682 -3.339 4.606 1.00 0.84 C ATOM 342 O ASN A 24 17.451 -2.653 5.276 1.00 0.89 O ATOM 343 CB ASN A 24 16.161 -1.544 2.901 1.00 0.99 C ATOM 344 CG ASN A 24 17.004 -2.114 1.773 1.00 0.91 C ATOM 345 OD1 ASN A 24 17.394 -3.275 1.781 1.00 1.42 O ATOM 346 ND2 ASN A 24 17.300 -1.311 0.777 1.00 0.87 N ATOM 0 H ASN A 24 14.860 -1.193 5.088 1.00 1.01 H new ATOM 0 HA ASN A 24 15.122 -3.423 3.160 1.00 0.90 H new ATOM 0 HB2 ASN A 24 15.352 -0.944 2.484 1.00 0.99 H new ATOM 0 HB3 ASN A 24 16.771 -0.877 3.511 1.00 0.99 H new ATOM 0 HD21 ASN A 24 17.862 -1.652 -0.003 1.00 0.87 H new ATOM 0 HD22 ASN A 24 16.968 -0.346 0.784 1.00 0.87 H new ATOM 353 N PRO A 25 16.803 -4.677 4.567 1.00 0.96 N ATOM 354 CA PRO A 25 17.868 -5.401 5.264 1.00 1.07 C ATOM 355 C PRO A 25 19.201 -5.454 4.500 1.00 1.07 C ATOM 356 O PRO A 25 20.232 -5.714 5.122 1.00 1.17 O ATOM 357 CB PRO A 25 17.302 -6.812 5.444 1.00 1.29 C ATOM 358 CG PRO A 25 16.431 -6.990 4.196 1.00 1.34 C ATOM 359 CD PRO A 25 15.841 -5.603 3.989 1.00 1.16 C ATOM 0 HA PRO A 25 18.119 -4.897 6.197 1.00 1.07 H new ATOM 0 HB2 PRO A 25 18.092 -7.561 5.496 1.00 1.29 H new ATOM 0 HB3 PRO A 25 16.718 -6.900 6.360 1.00 1.29 H new ATOM 0 HG2 PRO A 25 17.019 -7.311 3.336 1.00 1.34 H new ATOM 0 HG3 PRO A 25 15.655 -7.740 4.349 1.00 1.34 H new ATOM 0 HD2 PRO A 25 15.687 -5.397 2.930 1.00 1.16 H new ATOM 0 HD3 PRO A 25 14.870 -5.514 4.476 1.00 1.16 H new ATOM 367 N GLY A 26 19.203 -5.227 3.178 1.00 1.02 N ATOM 368 CA GLY A 26 20.383 -5.359 2.330 1.00 1.10 C ATOM 369 C GLY A 26 21.262 -4.119 2.379 1.00 0.98 C ATOM 370 O GLY A 26 21.018 -3.184 3.137 1.00 1.16 O ATOM 0 H GLY A 26 18.368 -4.942 2.666 1.00 1.02 H new ATOM 0 HA2 GLY A 26 20.962 -6.226 2.647 1.00 1.10 H new ATOM 0 HA3 GLY A 26 20.072 -5.542 1.302 1.00 1.10 H new ATOM 374 N ASP A 27 22.322 -4.143 1.587 1.00 1.07 N ATOM 375 CA ASP A 27 23.379 -3.136 1.523 1.00 1.30 C ATOM 376 C ASP A 27 23.295 -2.301 0.231 1.00 1.29 C ATOM 377 O ASP A 27 24.062 -1.372 0.003 1.00 1.46 O ATOM 378 CB ASP A 27 24.681 -3.923 1.666 1.00 1.72 C ATOM 379 CG ASP A 27 24.852 -4.346 3.130 1.00 2.08 C ATOM 380 OD1 ASP A 27 24.233 -5.361 3.527 1.00 2.58 O ATOM 381 OD2 ASP A 27 25.416 -3.561 3.918 1.00 2.99 O ATOM 0 H ASP A 27 22.480 -4.909 0.932 1.00 1.07 H new ATOM 0 HA ASP A 27 23.295 -2.390 2.313 1.00 1.30 H new ATOM 0 HB2 ASP A 27 24.663 -4.801 1.020 1.00 1.72 H new ATOM 0 HB3 ASP A 27 25.527 -3.312 1.350 1.00 1.72 H new ATOM 386 N LEU A 28 22.285 -2.621 -0.579 1.00 1.13 N ATOM 387 CA LEU A 28 21.834 -1.926 -1.778 1.00 1.11 C ATOM 388 C LEU A 28 20.379 -1.453 -1.589 1.00 0.94 C ATOM 389 O LEU A 28 19.687 -1.980 -0.711 1.00 0.87 O ATOM 390 CB LEU A 28 22.075 -2.863 -2.979 1.00 1.33 C ATOM 391 CG LEU A 28 21.355 -4.233 -2.971 1.00 1.57 C ATOM 392 CD1 LEU A 28 19.880 -4.163 -3.403 1.00 2.05 C ATOM 393 CD2 LEU A 28 22.087 -5.189 -3.924 1.00 2.04 C ATOM 0 H LEU A 28 21.714 -3.446 -0.394 1.00 1.13 H new ATOM 0 HA LEU A 28 22.396 -1.013 -1.974 1.00 1.11 H new ATOM 0 HB2 LEU A 28 21.779 -2.333 -3.884 1.00 1.33 H new ATOM 0 HB3 LEU A 28 23.147 -3.047 -3.053 1.00 1.33 H new ATOM 0 HG LEU A 28 21.374 -4.584 -1.939 1.00 1.57 H new ATOM 0 HD11 LEU A 28 19.444 -5.162 -3.372 1.00 2.05 H new ATOM 0 HD12 LEU A 28 19.333 -3.507 -2.726 1.00 2.05 H new ATOM 0 HD13 LEU A 28 19.816 -3.771 -4.418 1.00 2.05 H new ATOM 0 HD21 LEU A 28 21.586 -6.157 -3.924 1.00 2.04 H new ATOM 0 HD22 LEU A 28 22.078 -4.775 -4.932 1.00 2.04 H new ATOM 0 HD23 LEU A 28 23.118 -5.314 -3.593 1.00 2.04 H new ATOM 405 N PRO A 29 19.886 -0.470 -2.366 1.00 0.96 N ATOM 406 CA PRO A 29 18.546 0.076 -2.189 1.00 0.86 C ATOM 407 C PRO A 29 17.484 -0.890 -2.731 1.00 0.81 C ATOM 408 O PRO A 29 17.712 -1.603 -3.708 1.00 0.90 O ATOM 409 CB PRO A 29 18.545 1.419 -2.922 1.00 0.97 C ATOM 410 CG PRO A 29 19.564 1.208 -4.040 1.00 1.11 C ATOM 411 CD PRO A 29 20.571 0.215 -3.453 1.00 1.14 C ATOM 0 HA PRO A 29 18.296 0.215 -1.137 1.00 0.86 H new ATOM 0 HB2 PRO A 29 17.558 1.661 -3.317 1.00 0.97 H new ATOM 0 HB3 PRO A 29 18.834 2.238 -2.263 1.00 0.97 H new ATOM 0 HG2 PRO A 29 19.092 0.811 -4.939 1.00 1.11 H new ATOM 0 HG3 PRO A 29 20.046 2.144 -4.320 1.00 1.11 H new ATOM 0 HD2 PRO A 29 20.904 -0.494 -4.211 1.00 1.14 H new ATOM 0 HD3 PRO A 29 21.459 0.732 -3.088 1.00 1.14 H new ATOM 419 N LEU A 30 16.308 -0.890 -2.095 1.00 0.71 N ATOM 420 CA LEU A 30 15.127 -1.626 -2.537 1.00 0.67 C ATOM 421 C LEU A 30 14.115 -0.694 -3.176 1.00 0.67 C ATOM 422 O LEU A 30 13.924 0.451 -2.772 1.00 0.75 O ATOM 423 CB LEU A 30 14.431 -2.356 -1.379 1.00 0.67 C ATOM 424 CG LEU A 30 15.103 -3.677 -0.989 1.00 0.76 C ATOM 425 CD1 LEU A 30 14.501 -4.178 0.329 1.00 1.70 C ATOM 426 CD2 LEU A 30 14.927 -4.778 -2.043 1.00 1.33 C ATOM 0 H LEU A 30 16.151 -0.363 -1.236 1.00 0.71 H new ATOM 0 HA LEU A 30 15.482 -2.359 -3.261 1.00 0.67 H new ATOM 0 HB2 LEU A 30 14.408 -1.700 -0.509 1.00 0.67 H new ATOM 0 HB3 LEU A 30 13.396 -2.554 -1.656 1.00 0.67 H new ATOM 0 HG LEU A 30 16.169 -3.471 -0.897 1.00 0.76 H new ATOM 0 HD11 LEU A 30 14.975 -5.118 0.612 1.00 1.70 H new ATOM 0 HD12 LEU A 30 14.669 -3.437 1.111 1.00 1.70 H new ATOM 0 HD13 LEU A 30 13.430 -4.336 0.203 1.00 1.70 H new ATOM 0 HD21 LEU A 30 15.426 -5.687 -1.707 1.00 1.33 H new ATOM 0 HD22 LEU A 30 13.865 -4.978 -2.186 1.00 1.33 H new ATOM 0 HD23 LEU A 30 15.365 -4.452 -2.986 1.00 1.33 H new ATOM 438 N ARG A 31 13.398 -1.296 -4.116 1.00 0.65 N ATOM 439 CA ARG A 31 12.403 -0.632 -4.952 1.00 0.64 C ATOM 440 C ARG A 31 11.129 -1.455 -5.025 1.00 0.68 C ATOM 441 O ARG A 31 11.108 -2.509 -5.667 1.00 0.70 O ATOM 442 CB ARG A 31 12.991 -0.408 -6.348 1.00 0.62 C ATOM 443 CG ARG A 31 12.142 0.591 -7.151 1.00 0.74 C ATOM 444 CD ARG A 31 12.898 1.202 -8.338 1.00 0.62 C ATOM 445 NE ARG A 31 13.987 2.073 -7.877 1.00 1.42 N ATOM 446 CZ ARG A 31 14.775 2.859 -8.591 1.00 1.53 C ATOM 447 NH1 ARG A 31 14.631 3.017 -9.894 1.00 2.05 N ATOM 448 NH2 ARG A 31 15.741 3.499 -7.979 1.00 2.43 N ATOM 0 H ARG A 31 13.495 -2.290 -4.325 1.00 0.65 H new ATOM 0 HA ARG A 31 12.146 0.332 -4.513 1.00 0.64 H new ATOM 0 HB2 ARG A 31 14.012 -0.035 -6.261 1.00 0.62 H new ATOM 0 HB3 ARG A 31 13.043 -1.357 -6.881 1.00 0.62 H new ATOM 0 HG2 ARG A 31 11.248 0.087 -7.518 1.00 0.74 H new ATOM 0 HG3 ARG A 31 11.809 1.390 -6.489 1.00 0.74 H new ATOM 0 HD2 ARG A 31 13.304 0.407 -8.963 1.00 0.62 H new ATOM 0 HD3 ARG A 31 12.208 1.774 -8.958 1.00 0.62 H new ATOM 0 HE ARG A 31 14.158 2.071 -6.872 1.00 1.42 H new ATOM 0 HH11 ARG A 31 13.889 2.522 -10.389 1.00 2.05 H new ATOM 0 HH12 ARG A 31 15.262 3.634 -10.406 1.00 2.05 H new ATOM 0 HH21 ARG A 31 15.872 3.385 -6.974 1.00 2.43 H new ATOM 0 HH22 ARG A 31 16.362 4.111 -8.508 1.00 2.43 H new ATOM 462 N LEU A 32 10.081 -1.004 -4.351 1.00 0.72 N ATOM 463 CA LEU A 32 8.772 -1.642 -4.348 1.00 0.69 C ATOM 464 C LEU A 32 8.022 -1.224 -5.611 1.00 0.65 C ATOM 465 O LEU A 32 7.721 -0.049 -5.749 1.00 0.64 O ATOM 466 CB LEU A 32 8.065 -1.218 -3.053 1.00 0.69 C ATOM 467 CG LEU A 32 6.628 -1.777 -2.980 1.00 0.64 C ATOM 468 CD1 LEU A 32 6.368 -2.400 -1.605 1.00 1.91 C ATOM 469 CD2 LEU A 32 5.591 -0.684 -3.304 1.00 1.91 C ATOM 0 H LEU A 32 10.118 -0.162 -3.776 1.00 0.72 H new ATOM 0 HA LEU A 32 8.830 -2.730 -4.364 1.00 0.69 H new ATOM 0 HB2 LEU A 32 8.637 -1.569 -2.194 1.00 0.69 H new ATOM 0 HB3 LEU A 32 8.036 -0.130 -2.993 1.00 0.69 H new ATOM 0 HG LEU A 32 6.524 -2.559 -3.733 1.00 0.64 H new ATOM 0 HD11 LEU A 32 5.351 -2.790 -1.569 1.00 1.91 H new ATOM 0 HD12 LEU A 32 7.074 -3.212 -1.434 1.00 1.91 H new ATOM 0 HD13 LEU A 32 6.494 -1.642 -0.832 1.00 1.91 H new ATOM 0 HD21 LEU A 32 4.588 -1.106 -3.245 1.00 1.91 H new ATOM 0 HD22 LEU A 32 5.685 0.131 -2.586 1.00 1.91 H new ATOM 0 HD23 LEU A 32 5.766 -0.303 -4.310 1.00 1.91 H new ATOM 481 N VAL A 33 7.713 -2.156 -6.511 1.00 0.66 N ATOM 482 CA VAL A 33 7.100 -1.867 -7.828 1.00 0.64 C ATOM 483 C VAL A 33 5.644 -2.375 -7.921 1.00 0.62 C ATOM 484 O VAL A 33 4.896 -1.955 -8.801 1.00 0.62 O ATOM 485 CB VAL A 33 7.923 -2.506 -8.978 1.00 0.68 C ATOM 486 CG1 VAL A 33 9.335 -1.902 -9.079 1.00 0.65 C ATOM 487 CG2 VAL A 33 8.086 -4.036 -8.842 1.00 0.80 C ATOM 0 H VAL A 33 7.879 -3.150 -6.354 1.00 0.66 H new ATOM 0 HA VAL A 33 7.098 -0.782 -7.930 1.00 0.64 H new ATOM 0 HB VAL A 33 7.344 -2.287 -9.875 1.00 0.68 H new ATOM 0 HG11 VAL A 33 9.877 -2.378 -9.897 1.00 0.65 H new ATOM 0 HG12 VAL A 33 9.260 -0.831 -9.268 1.00 0.65 H new ATOM 0 HG13 VAL A 33 9.870 -2.069 -8.144 1.00 0.65 H new ATOM 0 HG21 VAL A 33 8.671 -4.415 -9.680 1.00 0.80 H new ATOM 0 HG22 VAL A 33 8.598 -4.266 -7.908 1.00 0.80 H new ATOM 0 HG23 VAL A 33 7.104 -4.508 -8.843 1.00 0.80 H new ATOM 497 N GLY A 34 5.247 -3.297 -7.030 1.00 0.62 N ATOM 498 CA GLY A 34 3.910 -3.890 -6.940 1.00 0.67 C ATOM 499 C GLY A 34 3.618 -4.476 -5.564 1.00 0.69 C ATOM 500 O GLY A 34 4.432 -4.395 -4.643 1.00 0.68 O ATOM 0 H GLY A 34 5.882 -3.664 -6.321 1.00 0.62 H new ATOM 0 HA2 GLY A 34 3.164 -3.130 -7.173 1.00 0.67 H new ATOM 0 HA3 GLY A 34 3.813 -4.673 -7.692 1.00 0.67 H new ATOM 504 N ALA A 35 2.472 -5.136 -5.463 1.00 0.72 N ATOM 505 CA ALA A 35 2.089 -6.015 -4.363 1.00 0.69 C ATOM 506 C ALA A 35 1.270 -7.212 -4.884 1.00 0.65 C ATOM 507 O ALA A 35 1.133 -7.422 -6.088 1.00 0.66 O ATOM 508 CB ALA A 35 1.378 -5.190 -3.279 1.00 0.71 C ATOM 0 H ALA A 35 1.749 -5.071 -6.179 1.00 0.72 H new ATOM 0 HA ALA A 35 2.972 -6.452 -3.897 1.00 0.69 H new ATOM 0 HB1 ALA A 35 1.090 -5.843 -2.455 1.00 0.71 H new ATOM 0 HB2 ALA A 35 2.051 -4.416 -2.910 1.00 0.71 H new ATOM 0 HB3 ALA A 35 0.487 -4.725 -3.701 1.00 0.71 H new ATOM 514 N ARG A 36 0.776 -8.024 -3.958 1.00 0.65 N ATOM 515 CA ARG A 36 -0.174 -9.121 -4.143 1.00 0.62 C ATOM 516 C ARG A 36 -0.897 -9.375 -2.811 1.00 0.60 C ATOM 517 O ARG A 36 -0.603 -8.728 -1.807 1.00 0.78 O ATOM 518 CB ARG A 36 0.554 -10.371 -4.676 1.00 0.72 C ATOM 519 CG ARG A 36 0.290 -10.674 -6.151 1.00 1.06 C ATOM 520 CD ARG A 36 0.282 -12.188 -6.392 1.00 1.36 C ATOM 521 NE ARG A 36 -0.993 -12.796 -5.961 1.00 2.43 N ATOM 522 CZ ARG A 36 -1.206 -13.609 -4.929 1.00 3.71 C ATOM 523 NH1 ARG A 36 -0.320 -13.861 -3.986 1.00 4.24 N ATOM 524 NH2 ARG A 36 -2.379 -14.200 -4.827 1.00 5.01 N ATOM 0 H ARG A 36 1.049 -7.927 -2.980 1.00 0.65 H new ATOM 0 HA ARG A 36 -0.924 -8.860 -4.889 1.00 0.62 H new ATOM 0 HB2 ARG A 36 1.626 -10.242 -4.530 1.00 0.72 H new ATOM 0 HB3 ARG A 36 0.253 -11.233 -4.081 1.00 0.72 H new ATOM 0 HG2 ARG A 36 -0.667 -10.246 -6.451 1.00 1.06 H new ATOM 0 HG3 ARG A 36 1.056 -10.205 -6.768 1.00 1.06 H new ATOM 0 HD2 ARG A 36 0.444 -12.390 -7.451 1.00 1.36 H new ATOM 0 HD3 ARG A 36 1.108 -12.649 -5.850 1.00 1.36 H new ATOM 0 HE ARG A 36 -1.812 -12.564 -6.524 1.00 2.43 H new ATOM 0 HH11 ARG A 36 0.599 -13.420 -4.019 1.00 4.24 H new ATOM 0 HH12 ARG A 36 -0.554 -14.497 -3.223 1.00 4.24 H new ATOM 0 HH21 ARG A 36 -3.099 -14.030 -5.530 1.00 5.01 H new ATOM 0 HH22 ARG A 36 -2.568 -14.828 -4.045 1.00 5.01 H new ATOM 538 N THR A 37 -1.829 -10.326 -2.785 1.00 0.57 N ATOM 539 CA THR A 37 -2.724 -10.662 -1.662 1.00 0.52 C ATOM 540 C THR A 37 -3.593 -11.849 -2.090 1.00 0.57 C ATOM 541 O THR A 37 -3.786 -12.018 -3.297 1.00 0.73 O ATOM 542 CB THR A 37 -3.564 -9.441 -1.237 1.00 0.51 C ATOM 543 OG1 THR A 37 -4.570 -9.829 -0.345 1.00 0.60 O ATOM 544 CG2 THR A 37 -4.254 -8.718 -2.392 1.00 0.55 C ATOM 0 H THR A 37 -1.995 -10.924 -3.594 1.00 0.57 H new ATOM 0 HA THR A 37 -2.144 -10.943 -0.783 1.00 0.52 H new ATOM 0 HB THR A 37 -2.846 -8.757 -0.784 1.00 0.51 H new ATOM 0 HG1 THR A 37 -4.218 -9.819 0.570 1.00 0.60 H new ATOM 0 HG21 THR A 37 -4.823 -7.873 -2.004 1.00 0.55 H new ATOM 0 HG22 THR A 37 -3.504 -8.358 -3.096 1.00 0.55 H new ATOM 0 HG23 THR A 37 -4.929 -9.406 -2.901 1.00 0.55 H new ATOM 552 N PRO A 38 -4.121 -12.678 -1.171 1.00 0.58 N ATOM 553 CA PRO A 38 -5.097 -13.702 -1.522 1.00 0.61 C ATOM 554 C PRO A 38 -6.499 -13.135 -1.768 1.00 0.59 C ATOM 555 O PRO A 38 -7.378 -13.884 -2.186 1.00 0.73 O ATOM 556 CB PRO A 38 -5.071 -14.671 -0.346 1.00 0.65 C ATOM 557 CG PRO A 38 -4.687 -13.819 0.856 1.00 0.68 C ATOM 558 CD PRO A 38 -3.792 -12.742 0.248 1.00 0.69 C ATOM 0 HA PRO A 38 -4.844 -14.186 -2.465 1.00 0.61 H new ATOM 0 HB2 PRO A 38 -6.043 -15.143 -0.201 1.00 0.65 H new ATOM 0 HB3 PRO A 38 -4.349 -15.471 -0.510 1.00 0.65 H new ATOM 0 HG2 PRO A 38 -5.563 -13.388 1.341 1.00 0.68 H new ATOM 0 HG3 PRO A 38 -4.160 -14.402 1.611 1.00 0.68 H new ATOM 0 HD2 PRO A 38 -3.963 -11.779 0.729 1.00 0.69 H new ATOM 0 HD3 PRO A 38 -2.740 -12.987 0.391 1.00 0.69 H new ATOM 566 N VAL A 39 -6.714 -11.839 -1.506 1.00 0.54 N ATOM 567 CA VAL A 39 -8.035 -11.179 -1.594 1.00 0.61 C ATOM 568 C VAL A 39 -8.060 -9.943 -2.515 1.00 0.57 C ATOM 569 O VAL A 39 -8.645 -8.922 -2.170 1.00 0.65 O ATOM 570 CB VAL A 39 -8.636 -10.891 -0.192 1.00 0.73 C ATOM 571 CG1 VAL A 39 -8.888 -12.206 0.565 1.00 0.85 C ATOM 572 CG2 VAL A 39 -7.760 -9.981 0.683 1.00 0.73 C ATOM 0 H VAL A 39 -5.967 -11.205 -1.222 1.00 0.54 H new ATOM 0 HA VAL A 39 -8.689 -11.902 -2.082 1.00 0.61 H new ATOM 0 HB VAL A 39 -9.571 -10.363 -0.379 1.00 0.73 H new ATOM 0 HG11 VAL A 39 -9.309 -11.986 1.546 1.00 0.85 H new ATOM 0 HG12 VAL A 39 -9.587 -12.823 -0.000 1.00 0.85 H new ATOM 0 HG13 VAL A 39 -7.947 -12.742 0.686 1.00 0.85 H new ATOM 0 HG21 VAL A 39 -8.246 -9.825 1.646 1.00 0.73 H new ATOM 0 HG22 VAL A 39 -6.789 -10.451 0.838 1.00 0.73 H new ATOM 0 HG23 VAL A 39 -7.623 -9.020 0.186 1.00 0.73 H new ATOM 582 N ALA A 40 -7.493 -10.044 -3.724 1.00 0.52 N ATOM 583 CA ALA A 40 -7.654 -9.056 -4.810 1.00 0.49 C ATOM 584 C ALA A 40 -7.194 -9.619 -6.172 1.00 0.64 C ATOM 585 O ALA A 40 -6.341 -10.502 -6.229 1.00 0.96 O ATOM 586 CB ALA A 40 -6.875 -7.766 -4.492 1.00 0.53 C ATOM 0 H ALA A 40 -6.896 -10.829 -3.985 1.00 0.52 H new ATOM 0 HA ALA A 40 -8.718 -8.828 -4.879 1.00 0.49 H new ATOM 0 HB1 ALA A 40 -7.007 -7.052 -5.305 1.00 0.53 H new ATOM 0 HB2 ALA A 40 -7.250 -7.334 -3.564 1.00 0.53 H new ATOM 0 HB3 ALA A 40 -5.816 -7.998 -4.382 1.00 0.53 H new ATOM 592 N GLU A 41 -7.724 -9.048 -7.253 1.00 0.63 N ATOM 593 CA GLU A 41 -7.311 -9.264 -8.650 1.00 0.85 C ATOM 594 C GLU A 41 -6.261 -8.235 -9.131 1.00 0.87 C ATOM 595 O GLU A 41 -5.502 -8.487 -10.074 1.00 1.07 O ATOM 596 CB GLU A 41 -8.565 -9.116 -9.535 1.00 1.09 C ATOM 597 CG GLU A 41 -8.512 -9.958 -10.814 1.00 1.28 C ATOM 598 CD GLU A 41 -8.995 -11.363 -10.482 1.00 1.72 C ATOM 599 OE1 GLU A 41 -8.275 -12.107 -9.783 1.00 2.93 O ATOM 600 OE2 GLU A 41 -10.186 -11.653 -10.719 1.00 2.29 O ATOM 0 H GLU A 41 -8.496 -8.385 -7.180 1.00 0.63 H new ATOM 0 HA GLU A 41 -6.859 -10.253 -8.719 1.00 0.85 H new ATOM 0 HB2 GLU A 41 -9.444 -9.402 -8.957 1.00 1.09 H new ATOM 0 HB3 GLU A 41 -8.688 -8.067 -9.805 1.00 1.09 H new ATOM 0 HG2 GLU A 41 -9.139 -9.514 -11.587 1.00 1.28 H new ATOM 0 HG3 GLU A 41 -7.496 -9.989 -11.206 1.00 1.28 H new ATOM 607 N ARG A 42 -6.273 -7.048 -8.509 1.00 0.98 N ATOM 608 CA ARG A 42 -5.587 -5.806 -8.866 1.00 1.00 C ATOM 609 C ARG A 42 -5.141 -5.126 -7.567 1.00 0.97 C ATOM 610 O ARG A 42 -5.868 -5.178 -6.572 1.00 1.01 O ATOM 611 CB ARG A 42 -6.568 -4.888 -9.621 1.00 1.12 C ATOM 612 CG ARG A 42 -7.091 -5.378 -10.987 1.00 1.28 C ATOM 613 CD ARG A 42 -6.073 -5.427 -12.137 1.00 2.24 C ATOM 614 NE ARG A 42 -5.074 -6.490 -11.946 1.00 3.89 N ATOM 615 CZ ARG A 42 -3.756 -6.358 -11.901 1.00 5.56 C ATOM 616 NH1 ARG A 42 -3.157 -5.210 -12.107 1.00 5.95 N ATOM 617 NH2 ARG A 42 -3.029 -7.399 -11.564 1.00 7.21 N ATOM 0 H ARG A 42 -6.820 -6.925 -7.657 1.00 0.98 H new ATOM 0 HA ARG A 42 -4.725 -6.008 -9.503 1.00 1.00 H new ATOM 0 HB2 ARG A 42 -7.428 -4.710 -8.975 1.00 1.12 H new ATOM 0 HB3 ARG A 42 -6.079 -3.926 -9.773 1.00 1.12 H new ATOM 0 HG2 ARG A 42 -7.504 -6.378 -10.855 1.00 1.28 H new ATOM 0 HG3 ARG A 42 -7.914 -4.731 -11.289 1.00 1.28 H new ATOM 0 HD2 ARG A 42 -6.598 -5.588 -13.079 1.00 2.24 H new ATOM 0 HD3 ARG A 42 -5.567 -4.464 -12.214 1.00 2.24 H new ATOM 0 HE ARG A 42 -5.437 -7.437 -11.836 1.00 3.89 H new ATOM 0 HH11 ARG A 42 -3.708 -4.376 -12.311 1.00 5.95 H new ATOM 0 HH12 ARG A 42 -2.140 -5.151 -12.063 1.00 5.95 H new ATOM 0 HH21 ARG A 42 -3.481 -8.287 -11.343 1.00 7.21 H new ATOM 0 HH22 ARG A 42 -2.013 -7.320 -11.523 1.00 7.21 H new ATOM 631 N VAL A 43 -3.946 -4.543 -7.551 1.00 1.12 N ATOM 632 CA VAL A 43 -3.212 -4.109 -6.341 1.00 1.09 C ATOM 633 C VAL A 43 -2.189 -3.019 -6.654 1.00 1.65 C ATOM 634 O VAL A 43 -0.972 -3.131 -6.517 1.00 3.03 O ATOM 635 CB VAL A 43 -2.641 -5.310 -5.601 1.00 0.86 C ATOM 636 CG1 VAL A 43 -1.580 -6.085 -6.402 1.00 1.03 C ATOM 637 CG2 VAL A 43 -2.190 -4.958 -4.174 1.00 1.21 C ATOM 0 H VAL A 43 -3.432 -4.347 -8.410 1.00 1.12 H new ATOM 0 HA VAL A 43 -3.915 -3.637 -5.655 1.00 1.09 H new ATOM 0 HB VAL A 43 -3.469 -6.011 -5.494 1.00 0.86 H new ATOM 0 HG11 VAL A 43 -1.220 -6.926 -5.810 1.00 1.03 H new ATOM 0 HG12 VAL A 43 -2.021 -6.455 -7.327 1.00 1.03 H new ATOM 0 HG13 VAL A 43 -0.746 -5.423 -6.637 1.00 1.03 H new ATOM 0 HG21 VAL A 43 -1.790 -5.848 -3.689 1.00 1.21 H new ATOM 0 HG22 VAL A 43 -1.418 -4.190 -4.216 1.00 1.21 H new ATOM 0 HG23 VAL A 43 -3.042 -4.586 -3.605 1.00 1.21 H new ATOM 647 N GLU A 44 -2.765 -1.950 -7.165 1.00 0.62 N ATOM 648 CA GLU A 44 -2.053 -0.900 -7.891 1.00 0.62 C ATOM 649 C GLU A 44 -1.628 0.265 -6.984 1.00 0.55 C ATOM 650 O GLU A 44 -2.380 0.737 -6.131 1.00 1.00 O ATOM 651 CB GLU A 44 -2.874 -0.445 -9.108 1.00 0.99 C ATOM 652 CG GLU A 44 -2.615 -1.314 -10.354 1.00 1.98 C ATOM 653 CD GLU A 44 -3.227 -2.719 -10.311 1.00 3.66 C ATOM 654 OE1 GLU A 44 -2.635 -3.661 -9.737 1.00 5.25 O ATOM 655 OE2 GLU A 44 -4.265 -2.936 -10.971 1.00 4.16 O ATOM 0 H GLU A 44 -3.767 -1.776 -7.089 1.00 0.62 H new ATOM 0 HA GLU A 44 -1.119 -1.322 -8.261 1.00 0.62 H new ATOM 0 HB2 GLU A 44 -3.935 -0.479 -8.860 1.00 0.99 H new ATOM 0 HB3 GLU A 44 -2.633 0.593 -9.337 1.00 0.99 H new ATOM 0 HG2 GLU A 44 -3.005 -0.792 -11.228 1.00 1.98 H new ATOM 0 HG3 GLU A 44 -1.538 -1.409 -10.493 1.00 1.98 H new ATOM 662 N LEU A 45 -0.381 0.707 -7.157 1.00 0.59 N ATOM 663 CA LEU A 45 0.333 1.579 -6.231 1.00 0.62 C ATOM 664 C LEU A 45 0.037 3.061 -6.495 1.00 0.53 C ATOM 665 O LEU A 45 0.281 3.570 -7.591 1.00 0.54 O ATOM 666 CB LEU A 45 1.819 1.227 -6.395 1.00 0.85 C ATOM 667 CG LEU A 45 2.772 1.952 -5.435 1.00 0.83 C ATOM 668 CD1 LEU A 45 2.644 1.467 -3.990 1.00 1.13 C ATOM 669 CD2 LEU A 45 4.193 1.687 -5.925 1.00 1.38 C ATOM 0 H LEU A 45 0.176 0.458 -7.974 1.00 0.59 H new ATOM 0 HA LEU A 45 0.012 1.422 -5.201 1.00 0.62 H new ATOM 0 HB2 LEU A 45 1.939 0.152 -6.258 1.00 0.85 H new ATOM 0 HB3 LEU A 45 2.119 1.453 -7.418 1.00 0.85 H new ATOM 0 HG LEU A 45 2.523 3.013 -5.433 1.00 0.83 H new ATOM 0 HD11 LEU A 45 3.343 2.016 -3.359 1.00 1.13 H new ATOM 0 HD12 LEU A 45 1.626 1.637 -3.638 1.00 1.13 H new ATOM 0 HD13 LEU A 45 2.872 0.402 -3.942 1.00 1.13 H new ATOM 0 HD21 LEU A 45 4.904 2.187 -5.267 1.00 1.38 H new ATOM 0 HD22 LEU A 45 4.386 0.614 -5.919 1.00 1.38 H new ATOM 0 HD23 LEU A 45 4.306 2.070 -6.939 1.00 1.38 H new ATOM 681 N HIS A 46 -0.490 3.759 -5.486 1.00 0.49 N ATOM 682 CA HIS A 46 -0.916 5.157 -5.555 1.00 0.44 C ATOM 683 C HIS A 46 -0.234 6.066 -4.515 1.00 0.46 C ATOM 684 O HIS A 46 0.098 5.653 -3.401 1.00 0.58 O ATOM 685 CB HIS A 46 -2.436 5.233 -5.309 1.00 0.42 C ATOM 686 CG HIS A 46 -3.372 4.630 -6.324 1.00 0.43 C ATOM 687 ND1 HIS A 46 -4.746 4.551 -6.157 1.00 0.46 N ATOM 688 CD2 HIS A 46 -3.071 4.040 -7.515 1.00 0.49 C ATOM 689 CE1 HIS A 46 -5.238 3.884 -7.201 1.00 0.52 C ATOM 690 NE2 HIS A 46 -4.248 3.562 -8.050 1.00 0.55 N ATOM 0 H HIS A 46 -0.637 3.349 -4.564 1.00 0.49 H new ATOM 0 HA HIS A 46 -0.633 5.512 -6.546 1.00 0.44 H new ATOM 0 HB2 HIS A 46 -2.638 4.755 -4.350 1.00 0.42 H new ATOM 0 HB3 HIS A 46 -2.700 6.285 -5.203 1.00 0.42 H new ATOM 0 HD2 HIS A 46 -2.089 3.961 -7.959 1.00 0.49 H new ATOM 0 HE1 HIS A 46 -6.280 3.638 -7.343 1.00 0.52 H new ATOM 0 HE2 HIS A 46 -4.349 3.056 -8.930 1.00 0.55 H new ATOM 698 N GLU A 47 -0.154 7.347 -4.866 1.00 0.43 N ATOM 699 CA GLU A 47 0.113 8.482 -3.980 1.00 0.46 C ATOM 700 C GLU A 47 -1.187 9.210 -3.579 1.00 0.50 C ATOM 701 O GLU A 47 -2.273 8.907 -4.086 1.00 0.62 O ATOM 702 CB GLU A 47 1.098 9.432 -4.673 1.00 0.54 C ATOM 703 CG GLU A 47 0.487 10.177 -5.867 1.00 0.69 C ATOM 704 CD GLU A 47 1.439 11.175 -6.519 1.00 1.16 C ATOM 705 OE1 GLU A 47 2.671 10.975 -6.423 1.00 2.35 O ATOM 706 OE2 GLU A 47 0.889 12.110 -7.145 1.00 2.17 O ATOM 0 H GLU A 47 -0.281 7.640 -5.835 1.00 0.43 H new ATOM 0 HA GLU A 47 0.557 8.115 -3.055 1.00 0.46 H new ATOM 0 HB2 GLU A 47 1.461 10.160 -3.947 1.00 0.54 H new ATOM 0 HB3 GLU A 47 1.963 8.862 -5.013 1.00 0.54 H new ATOM 0 HG2 GLU A 47 0.170 9.450 -6.614 1.00 0.69 H new ATOM 0 HG3 GLU A 47 -0.407 10.705 -5.536 1.00 0.69 H new ATOM 713 N THR A 48 -1.099 10.181 -2.662 1.00 0.60 N ATOM 714 CA THR A 48 -2.202 11.021 -2.172 1.00 0.52 C ATOM 715 C THR A 48 -1.612 12.350 -1.718 1.00 0.59 C ATOM 716 O THR A 48 -0.499 12.376 -1.195 1.00 0.64 O ATOM 717 CB THR A 48 -2.933 10.325 -1.020 1.00 0.54 C ATOM 718 OG1 THR A 48 -3.392 9.103 -1.530 1.00 0.69 O ATOM 719 CG2 THR A 48 -4.155 11.083 -0.502 1.00 0.72 C ATOM 0 H THR A 48 -0.211 10.415 -2.218 1.00 0.60 H new ATOM 0 HA THR A 48 -2.931 11.190 -2.964 1.00 0.52 H new ATOM 0 HB THR A 48 -2.236 10.241 -0.186 1.00 0.54 H new ATOM 0 HG1 THR A 48 -3.869 8.614 -0.827 1.00 0.69 H new ATOM 0 HG21 THR A 48 -4.613 10.521 0.312 1.00 0.72 H new ATOM 0 HG22 THR A 48 -3.848 12.064 -0.138 1.00 0.72 H new ATOM 0 HG23 THR A 48 -4.877 11.205 -1.310 1.00 0.72 H new ATOM 727 N PHE A 49 -2.339 13.446 -1.939 1.00 0.72 N ATOM 728 CA PHE A 49 -1.809 14.804 -1.808 1.00 0.88 C ATOM 729 C PHE A 49 -2.892 15.864 -1.556 1.00 0.87 C ATOM 730 O PHE A 49 -4.083 15.641 -1.779 1.00 0.76 O ATOM 731 CB PHE A 49 -0.979 15.136 -3.065 1.00 0.92 C ATOM 732 CG PHE A 49 -1.697 14.990 -4.402 1.00 0.71 C ATOM 733 CD1 PHE A 49 -2.637 15.958 -4.801 1.00 1.86 C ATOM 734 CD2 PHE A 49 -1.394 13.929 -5.281 1.00 1.73 C ATOM 735 CE1 PHE A 49 -3.254 15.888 -6.061 1.00 1.72 C ATOM 736 CE2 PHE A 49 -2.008 13.860 -6.540 1.00 1.94 C ATOM 737 CZ PHE A 49 -2.940 14.835 -6.936 1.00 0.86 C ATOM 0 H PHE A 49 -3.320 13.416 -2.216 1.00 0.72 H new ATOM 0 HA PHE A 49 -1.176 14.831 -0.921 1.00 0.88 H new ATOM 0 HB2 PHE A 49 -0.621 16.162 -2.978 1.00 0.92 H new ATOM 0 HB3 PHE A 49 -0.100 14.491 -3.076 1.00 0.92 H new ATOM 0 HD1 PHE A 49 -2.888 16.766 -4.129 1.00 1.86 H new ATOM 0 HD2 PHE A 49 -0.688 13.168 -4.984 1.00 1.73 H new ATOM 0 HE1 PHE A 49 -3.968 16.642 -6.356 1.00 1.72 H new ATOM 0 HE2 PHE A 49 -1.763 13.050 -7.211 1.00 1.94 H new ATOM 0 HZ PHE A 49 -3.411 14.775 -7.906 1.00 0.86 H new ATOM 747 N MET A 50 -2.452 17.067 -1.167 1.00 1.09 N ATOM 748 CA MET A 50 -3.240 18.308 -1.278 1.00 1.05 C ATOM 749 C MET A 50 -2.908 19.052 -2.578 1.00 0.82 C ATOM 750 O MET A 50 -1.831 18.884 -3.145 1.00 0.82 O ATOM 751 CB MET A 50 -3.041 19.237 -0.067 1.00 1.47 C ATOM 752 CG MET A 50 -4.184 19.092 0.943 1.00 2.70 C ATOM 753 SD MET A 50 -4.329 20.506 2.066 1.00 3.36 S ATOM 754 CE MET A 50 -6.130 20.541 2.251 1.00 5.74 C ATOM 0 H MET A 50 -1.528 17.211 -0.761 1.00 1.09 H new ATOM 0 HA MET A 50 -4.289 18.014 -1.296 1.00 1.05 H new ATOM 0 HB2 MET A 50 -2.093 19.006 0.419 1.00 1.47 H new ATOM 0 HB3 MET A 50 -2.982 20.271 -0.406 1.00 1.47 H new ATOM 0 HG2 MET A 50 -5.123 18.967 0.404 1.00 2.70 H new ATOM 0 HG3 MET A 50 -4.030 18.186 1.529 1.00 2.70 H new ATOM 0 HE1 MET A 50 -6.412 21.357 2.916 1.00 5.74 H new ATOM 0 HE2 MET A 50 -6.593 20.692 1.276 1.00 5.74 H new ATOM 0 HE3 MET A 50 -6.471 19.595 2.672 1.00 5.74 H new ATOM 764 N ARG A 51 -3.854 19.859 -3.068 1.00 0.76 N ATOM 765 CA ARG A 51 -3.780 20.537 -4.366 1.00 0.66 C ATOM 766 C ARG A 51 -4.681 21.775 -4.371 1.00 0.84 C ATOM 767 O ARG A 51 -5.654 21.844 -3.624 1.00 0.98 O ATOM 768 CB ARG A 51 -4.169 19.546 -5.482 1.00 0.72 C ATOM 769 CG ARG A 51 -3.259 19.601 -6.723 1.00 1.16 C ATOM 770 CD ARG A 51 -3.863 20.475 -7.821 1.00 1.73 C ATOM 771 NE ARG A 51 -2.959 20.588 -8.972 1.00 2.77 N ATOM 772 CZ ARG A 51 -3.099 21.426 -9.992 1.00 3.54 C ATOM 773 NH1 ARG A 51 -4.020 22.373 -10.002 1.00 3.79 N ATOM 774 NH2 ARG A 51 -2.290 21.303 -11.024 1.00 4.62 N ATOM 0 H ARG A 51 -4.714 20.064 -2.560 1.00 0.76 H new ATOM 0 HA ARG A 51 -2.760 20.876 -4.547 1.00 0.66 H new ATOM 0 HB2 ARG A 51 -4.150 18.534 -5.076 1.00 0.72 H new ATOM 0 HB3 ARG A 51 -5.195 19.747 -5.789 1.00 0.72 H new ATOM 0 HG2 ARG A 51 -2.281 19.992 -6.442 1.00 1.16 H new ATOM 0 HG3 ARG A 51 -3.101 18.592 -7.105 1.00 1.16 H new ATOM 0 HD2 ARG A 51 -4.814 20.052 -8.143 1.00 1.73 H new ATOM 0 HD3 ARG A 51 -4.074 21.468 -7.423 1.00 1.73 H new ATOM 0 HE ARG A 51 -2.150 19.967 -8.990 1.00 2.77 H new ATOM 0 HH11 ARG A 51 -4.652 22.478 -9.209 1.00 3.79 H new ATOM 0 HH12 ARG A 51 -4.099 22.999 -10.803 1.00 3.79 H new ATOM 0 HH21 ARG A 51 -1.575 20.575 -11.028 1.00 4.62 H new ATOM 0 HH22 ARG A 51 -2.378 21.935 -11.820 1.00 4.62 H new ATOM 788 N GLU A 52 -4.408 22.743 -5.237 1.00 1.00 N ATOM 789 CA GLU A 52 -5.236 23.910 -5.456 1.00 1.16 C ATOM 790 C GLU A 52 -6.042 23.771 -6.756 1.00 1.21 C ATOM 791 O GLU A 52 -5.487 23.346 -7.774 1.00 1.27 O ATOM 792 CB GLU A 52 -4.263 25.078 -5.582 1.00 1.39 C ATOM 793 CG GLU A 52 -4.984 26.408 -5.519 1.00 1.78 C ATOM 794 CD GLU A 52 -5.148 26.865 -4.080 1.00 1.83 C ATOM 795 OE1 GLU A 52 -5.998 26.305 -3.358 1.00 2.06 O ATOM 796 OE2 GLU A 52 -4.446 27.806 -3.664 1.00 2.66 O ATOM 0 H GLU A 52 -3.574 22.731 -5.824 1.00 1.00 H new ATOM 0 HA GLU A 52 -5.951 24.047 -4.645 1.00 1.16 H new ATOM 0 HB2 GLU A 52 -3.524 25.025 -4.783 1.00 1.39 H new ATOM 0 HB3 GLU A 52 -3.720 25.001 -6.524 1.00 1.39 H new ATOM 0 HG2 GLU A 52 -4.426 27.156 -6.082 1.00 1.78 H new ATOM 0 HG3 GLU A 52 -5.963 26.319 -5.991 1.00 1.78 H new ATOM 803 N VAL A 53 -7.307 24.194 -6.739 1.00 1.29 N ATOM 804 CA VAL A 53 -8.117 24.489 -7.934 1.00 1.41 C ATOM 805 C VAL A 53 -8.872 25.797 -7.655 1.00 1.55 C ATOM 806 O VAL A 53 -9.493 25.900 -6.606 1.00 1.68 O ATOM 807 CB VAL A 53 -9.098 23.328 -8.246 1.00 1.44 C ATOM 808 CG1 VAL A 53 -10.061 23.683 -9.388 1.00 2.20 C ATOM 809 CG2 VAL A 53 -8.336 22.047 -8.641 1.00 2.27 C ATOM 0 H VAL A 53 -7.817 24.347 -5.869 1.00 1.29 H new ATOM 0 HA VAL A 53 -7.480 24.596 -8.812 1.00 1.41 H new ATOM 0 HB VAL A 53 -9.669 23.158 -7.333 1.00 1.44 H new ATOM 0 HG11 VAL A 53 -10.730 22.843 -9.574 1.00 2.20 H new ATOM 0 HG12 VAL A 53 -10.647 24.559 -9.111 1.00 2.20 H new ATOM 0 HG13 VAL A 53 -9.490 23.899 -10.291 1.00 2.20 H new ATOM 0 HG21 VAL A 53 -9.049 21.251 -8.854 1.00 2.27 H new ATOM 0 HG22 VAL A 53 -7.733 22.241 -9.528 1.00 2.27 H new ATOM 0 HG23 VAL A 53 -7.686 21.743 -7.820 1.00 2.27 H new ATOM 819 N GLU A 54 -8.757 26.808 -8.529 1.00 1.83 N ATOM 820 CA GLU A 54 -9.392 28.145 -8.396 1.00 2.02 C ATOM 821 C GLU A 54 -8.953 28.935 -7.131 1.00 1.96 C ATOM 822 O GLU A 54 -9.691 29.782 -6.633 1.00 2.08 O ATOM 823 CB GLU A 54 -10.929 28.036 -8.408 1.00 2.21 C ATOM 824 CG GLU A 54 -11.620 27.429 -9.632 1.00 2.65 C ATOM 825 CD GLU A 54 -13.043 27.093 -9.194 1.00 2.81 C ATOM 826 OE1 GLU A 54 -13.243 25.974 -8.678 1.00 3.15 O ATOM 827 OE2 GLU A 54 -13.890 28.005 -9.079 1.00 3.33 O ATOM 0 H GLU A 54 -8.202 26.723 -9.380 1.00 1.83 H new ATOM 0 HA GLU A 54 -9.043 28.705 -9.264 1.00 2.02 H new ATOM 0 HB2 GLU A 54 -11.224 27.449 -7.538 1.00 2.21 H new ATOM 0 HB3 GLU A 54 -11.331 29.039 -8.267 1.00 2.21 H new ATOM 0 HG2 GLU A 54 -11.625 28.132 -10.465 1.00 2.65 H new ATOM 0 HG3 GLU A 54 -11.096 26.536 -9.972 1.00 2.65 H new ATOM 834 N GLY A 55 -7.790 28.627 -6.540 1.00 1.82 N ATOM 835 CA GLY A 55 -7.380 29.189 -5.238 1.00 1.82 C ATOM 836 C GLY A 55 -8.062 28.524 -4.031 1.00 1.70 C ATOM 837 O GLY A 55 -7.917 28.980 -2.893 1.00 1.79 O ATOM 0 H GLY A 55 -7.108 27.986 -6.945 1.00 1.82 H new ATOM 0 HA2 GLY A 55 -6.300 29.088 -5.134 1.00 1.82 H new ATOM 0 HA3 GLY A 55 -7.603 30.256 -5.227 1.00 1.82 H new ATOM 841 N LYS A 56 -8.790 27.431 -4.265 1.00 1.62 N ATOM 842 CA LYS A 56 -9.499 26.619 -3.287 1.00 1.64 C ATOM 843 C LYS A 56 -8.750 25.288 -3.136 1.00 1.46 C ATOM 844 O LYS A 56 -8.492 24.547 -4.095 1.00 1.33 O ATOM 845 CB LYS A 56 -10.971 26.410 -3.700 1.00 1.84 C ATOM 846 CG LYS A 56 -11.789 27.717 -3.723 1.00 2.03 C ATOM 847 CD LYS A 56 -13.202 27.538 -4.308 1.00 2.27 C ATOM 848 CE LYS A 56 -13.118 27.337 -5.827 1.00 3.03 C ATOM 849 NZ LYS A 56 -14.430 27.223 -6.507 1.00 3.15 N ATOM 0 H LYS A 56 -8.905 27.068 -5.211 1.00 1.62 H new ATOM 0 HA LYS A 56 -9.523 27.128 -2.324 1.00 1.64 H new ATOM 0 HB2 LYS A 56 -11.002 25.952 -4.689 1.00 1.84 H new ATOM 0 HB3 LYS A 56 -11.439 25.709 -3.009 1.00 1.84 H new ATOM 0 HG2 LYS A 56 -11.870 28.105 -2.708 1.00 2.03 H new ATOM 0 HG3 LYS A 56 -11.252 28.464 -4.308 1.00 2.03 H new ATOM 0 HD2 LYS A 56 -13.690 26.680 -3.846 1.00 2.27 H new ATOM 0 HD3 LYS A 56 -13.812 28.412 -4.081 1.00 2.27 H new ATOM 0 HE2 LYS A 56 -12.570 28.173 -6.261 1.00 3.03 H new ATOM 0 HE3 LYS A 56 -12.539 26.436 -6.030 1.00 3.03 H new ATOM 0 HZ1 LYS A 56 -14.565 26.247 -6.839 1.00 3.15 H new ATOM 0 HZ2 LYS A 56 -15.189 27.470 -5.840 1.00 3.15 H new ATOM 0 HZ3 LYS A 56 -14.458 27.872 -7.319 1.00 3.15 H new ATOM 863 N LYS A 57 -8.387 25.005 -1.893 1.00 1.47 N ATOM 864 CA LYS A 57 -7.584 23.851 -1.502 1.00 1.35 C ATOM 865 C LYS A 57 -8.444 22.576 -1.517 1.00 1.37 C ATOM 866 O LYS A 57 -9.418 22.471 -0.781 1.00 1.47 O ATOM 867 CB LYS A 57 -6.930 24.074 -0.124 1.00 1.46 C ATOM 868 CG LYS A 57 -5.940 25.254 -0.076 1.00 2.24 C ATOM 869 CD LYS A 57 -6.571 26.595 0.346 1.00 3.04 C ATOM 870 CE LYS A 57 -5.621 27.768 0.070 1.00 3.86 C ATOM 871 NZ LYS A 57 -5.682 28.195 -1.348 1.00 4.70 N ATOM 0 H LYS A 57 -8.651 25.591 -1.101 1.00 1.47 H new ATOM 0 HA LYS A 57 -6.779 23.726 -2.226 1.00 1.35 H new ATOM 0 HB2 LYS A 57 -7.714 24.242 0.614 1.00 1.46 H new ATOM 0 HB3 LYS A 57 -6.407 23.164 0.169 1.00 1.46 H new ATOM 0 HG2 LYS A 57 -5.136 25.010 0.618 1.00 2.24 H new ATOM 0 HG3 LYS A 57 -5.487 25.373 -1.060 1.00 2.24 H new ATOM 0 HD2 LYS A 57 -7.506 26.746 -0.194 1.00 3.04 H new ATOM 0 HD3 LYS A 57 -6.818 26.566 1.407 1.00 3.04 H new ATOM 0 HE2 LYS A 57 -5.881 28.607 0.715 1.00 3.86 H new ATOM 0 HE3 LYS A 57 -4.601 27.478 0.320 1.00 3.86 H new ATOM 0 HZ1 LYS A 57 -4.735 28.127 -1.772 1.00 4.70 H new ATOM 0 HZ2 LYS A 57 -6.339 27.579 -1.868 1.00 4.70 H new ATOM 0 HZ3 LYS A 57 -6.015 29.179 -1.400 1.00 4.70 H new ATOM 885 N VAL A 58 -8.056 21.620 -2.345 1.00 1.34 N ATOM 886 CA VAL A 58 -8.648 20.297 -2.544 1.00 1.33 C ATOM 887 C VAL A 58 -7.600 19.204 -2.263 1.00 1.09 C ATOM 888 O VAL A 58 -6.461 19.506 -1.903 1.00 1.00 O ATOM 889 CB VAL A 58 -9.216 20.184 -3.978 1.00 1.41 C ATOM 890 CG1 VAL A 58 -10.424 21.113 -4.177 1.00 2.36 C ATOM 891 CG2 VAL A 58 -8.177 20.443 -5.082 1.00 2.63 C ATOM 0 H VAL A 58 -7.247 21.757 -2.951 1.00 1.34 H new ATOM 0 HA VAL A 58 -9.472 20.157 -1.845 1.00 1.33 H new ATOM 0 HB VAL A 58 -9.531 19.145 -4.076 1.00 1.41 H new ATOM 0 HG11 VAL A 58 -10.799 21.009 -5.195 1.00 2.36 H new ATOM 0 HG12 VAL A 58 -11.210 20.844 -3.472 1.00 2.36 H new ATOM 0 HG13 VAL A 58 -10.121 22.146 -4.006 1.00 2.36 H new ATOM 0 HG21 VAL A 58 -8.652 20.345 -6.058 1.00 2.63 H new ATOM 0 HG22 VAL A 58 -7.774 21.450 -4.973 1.00 2.63 H new ATOM 0 HG23 VAL A 58 -7.368 19.717 -4.998 1.00 2.63 H new ATOM 901 N MET A 59 -7.971 17.934 -2.427 1.00 1.27 N ATOM 902 CA MET A 59 -7.073 16.774 -2.310 1.00 1.08 C ATOM 903 C MET A 59 -7.132 15.900 -3.568 1.00 1.02 C ATOM 904 O MET A 59 -8.048 16.034 -4.378 1.00 1.44 O ATOM 905 CB MET A 59 -7.415 15.975 -1.042 1.00 1.32 C ATOM 906 CG MET A 59 -6.939 16.727 0.206 1.00 1.42 C ATOM 907 SD MET A 59 -7.510 16.016 1.765 1.00 2.21 S ATOM 908 CE MET A 59 -8.944 17.080 2.063 1.00 3.94 C ATOM 0 H MET A 59 -8.931 17.671 -2.651 1.00 1.27 H new ATOM 0 HA MET A 59 -6.046 17.129 -2.221 1.00 1.08 H new ATOM 0 HB2 MET A 59 -8.491 15.810 -0.987 1.00 1.32 H new ATOM 0 HB3 MET A 59 -6.944 14.993 -1.085 1.00 1.32 H new ATOM 0 HG2 MET A 59 -5.849 16.750 0.208 1.00 1.42 H new ATOM 0 HG3 MET A 59 -7.280 17.761 0.145 1.00 1.42 H new ATOM 0 HE1 MET A 59 -9.428 16.785 2.994 1.00 3.94 H new ATOM 0 HE2 MET A 59 -8.618 18.118 2.136 1.00 3.94 H new ATOM 0 HE3 MET A 59 -9.650 16.978 1.239 1.00 3.94 H new ATOM 918 N GLY A 60 -6.135 15.036 -3.757 1.00 0.65 N ATOM 919 CA GLY A 60 -6.019 14.183 -4.939 1.00 0.65 C ATOM 920 C GLY A 60 -5.207 12.923 -4.695 1.00 0.53 C ATOM 921 O GLY A 60 -4.682 12.693 -3.611 1.00 0.50 O ATOM 0 H GLY A 60 -5.377 14.907 -3.086 1.00 0.65 H new ATOM 0 HA2 GLY A 60 -7.017 13.904 -5.276 1.00 0.65 H new ATOM 0 HA3 GLY A 60 -5.558 14.753 -5.746 1.00 0.65 H new ATOM 925 N MET A 61 -5.140 12.093 -5.732 1.00 0.60 N ATOM 926 CA MET A 61 -4.538 10.764 -5.745 1.00 0.54 C ATOM 927 C MET A 61 -4.219 10.380 -7.181 1.00 0.56 C ATOM 928 O MET A 61 -5.019 10.594 -8.100 1.00 0.61 O ATOM 929 CB MET A 61 -5.520 9.778 -5.090 1.00 0.62 C ATOM 930 CG MET A 61 -5.257 8.286 -5.353 1.00 0.62 C ATOM 931 SD MET A 61 -6.630 7.136 -4.998 1.00 0.66 S ATOM 932 CE MET A 61 -7.474 7.969 -3.635 1.00 0.81 C ATOM 0 H MET A 61 -5.528 12.346 -6.641 1.00 0.60 H new ATOM 0 HA MET A 61 -3.606 10.745 -5.180 1.00 0.54 H new ATOM 0 HB2 MET A 61 -5.506 9.944 -4.013 1.00 0.62 H new ATOM 0 HB3 MET A 61 -6.526 10.015 -5.436 1.00 0.62 H new ATOM 0 HG2 MET A 61 -4.978 8.169 -6.400 1.00 0.62 H new ATOM 0 HG3 MET A 61 -4.396 7.982 -4.757 1.00 0.62 H new ATOM 0 HE1 MET A 61 -8.206 7.293 -3.193 1.00 0.81 H new ATOM 0 HE2 MET A 61 -6.745 8.259 -2.879 1.00 0.81 H new ATOM 0 HE3 MET A 61 -7.981 8.858 -4.010 1.00 0.81 H new ATOM 942 N ARG A 62 -3.039 9.801 -7.366 1.00 0.60 N ATOM 943 CA ARG A 62 -2.476 9.391 -8.652 1.00 0.68 C ATOM 944 C ARG A 62 -1.792 8.028 -8.497 1.00 0.56 C ATOM 945 O ARG A 62 -1.405 7.685 -7.380 1.00 0.46 O ATOM 946 CB ARG A 62 -1.468 10.467 -9.109 1.00 0.86 C ATOM 947 CG ARG A 62 -2.085 11.781 -9.614 1.00 1.19 C ATOM 948 CD ARG A 62 -2.814 11.677 -10.960 1.00 2.09 C ATOM 949 NE ARG A 62 -4.169 11.161 -10.730 1.00 4.11 N ATOM 950 CZ ARG A 62 -5.090 10.781 -11.598 1.00 5.96 C ATOM 951 NH1 ARG A 62 -4.924 10.853 -12.905 1.00 6.19 N ATOM 952 NH2 ARG A 62 -6.207 10.311 -11.094 1.00 7.75 N ATOM 0 H ARG A 62 -2.416 9.593 -6.586 1.00 0.60 H new ATOM 0 HA ARG A 62 -3.260 9.294 -9.403 1.00 0.68 H new ATOM 0 HB2 ARG A 62 -0.804 10.695 -8.275 1.00 0.86 H new ATOM 0 HB3 ARG A 62 -0.850 10.047 -9.903 1.00 0.86 H new ATOM 0 HG2 ARG A 62 -2.787 12.148 -8.865 1.00 1.19 H new ATOM 0 HG3 ARG A 62 -1.295 12.526 -9.702 1.00 1.19 H new ATOM 0 HD2 ARG A 62 -2.860 12.654 -11.440 1.00 2.09 H new ATOM 0 HD3 ARG A 62 -2.269 11.016 -11.634 1.00 2.09 H new ATOM 0 HE ARG A 62 -4.441 11.084 -9.750 1.00 4.11 H new ATOM 0 HH11 ARG A 62 -4.052 11.216 -13.289 1.00 6.19 H new ATOM 0 HH12 ARG A 62 -5.668 10.546 -13.531 1.00 6.19 H new ATOM 0 HH21 ARG A 62 -6.326 10.255 -10.083 1.00 7.75 H new ATOM 0 HH22 ARG A 62 -6.956 10.002 -11.714 1.00 7.75 H new ATOM 966 N PRO A 63 -1.688 7.216 -9.564 1.00 0.60 N ATOM 967 CA PRO A 63 -0.877 6.015 -9.537 1.00 0.55 C ATOM 968 C PRO A 63 0.595 6.389 -9.714 1.00 0.56 C ATOM 969 O PRO A 63 0.895 7.400 -10.345 1.00 0.60 O ATOM 970 CB PRO A 63 -1.398 5.155 -10.679 1.00 0.59 C ATOM 971 CG PRO A 63 -1.793 6.203 -11.725 1.00 0.71 C ATOM 972 CD PRO A 63 -2.298 7.378 -10.877 1.00 0.76 C ATOM 0 HA PRO A 63 -0.942 5.473 -8.593 1.00 0.55 H new ATOM 0 HB2 PRO A 63 -0.635 4.473 -11.055 1.00 0.59 H new ATOM 0 HB3 PRO A 63 -2.248 4.545 -10.373 1.00 0.59 H new ATOM 0 HG2 PRO A 63 -0.945 6.491 -12.346 1.00 0.71 H new ATOM 0 HG3 PRO A 63 -2.567 5.830 -12.396 1.00 0.71 H new ATOM 0 HD2 PRO A 63 -2.016 8.331 -11.324 1.00 0.76 H new ATOM 0 HD3 PRO A 63 -3.386 7.369 -10.806 1.00 0.76 H new ATOM 980 N VAL A 64 1.491 5.564 -9.167 1.00 0.56 N ATOM 981 CA VAL A 64 2.947 5.807 -9.164 1.00 0.61 C ATOM 982 C VAL A 64 3.711 4.524 -9.532 1.00 0.67 C ATOM 983 O VAL A 64 3.181 3.433 -9.305 1.00 0.68 O ATOM 984 CB VAL A 64 3.433 6.390 -7.812 1.00 0.60 C ATOM 985 CG1 VAL A 64 2.850 7.787 -7.577 1.00 0.65 C ATOM 986 CG2 VAL A 64 3.132 5.493 -6.603 1.00 0.67 C ATOM 0 H VAL A 64 1.228 4.693 -8.705 1.00 0.56 H new ATOM 0 HA VAL A 64 3.159 6.558 -9.925 1.00 0.61 H new ATOM 0 HB VAL A 64 4.518 6.449 -7.896 1.00 0.60 H new ATOM 0 HG11 VAL A 64 3.206 8.174 -6.622 1.00 0.65 H new ATOM 0 HG12 VAL A 64 3.167 8.453 -8.379 1.00 0.65 H new ATOM 0 HG13 VAL A 64 1.762 7.729 -7.562 1.00 0.65 H new ATOM 0 HG21 VAL A 64 3.502 5.969 -5.695 1.00 0.67 H new ATOM 0 HG22 VAL A 64 2.056 5.343 -6.521 1.00 0.67 H new ATOM 0 HG23 VAL A 64 3.624 4.529 -6.734 1.00 0.67 H new ATOM 996 N PRO A 65 4.918 4.617 -10.132 1.00 0.73 N ATOM 997 CA PRO A 65 5.596 3.476 -10.747 1.00 0.80 C ATOM 998 C PRO A 65 6.282 2.570 -9.724 1.00 0.79 C ATOM 999 O PRO A 65 6.447 1.384 -9.998 1.00 0.83 O ATOM 1000 CB PRO A 65 6.599 4.095 -11.724 1.00 0.90 C ATOM 1001 CG PRO A 65 6.987 5.406 -11.043 1.00 0.88 C ATOM 1002 CD PRO A 65 5.683 5.835 -10.367 1.00 0.77 C ATOM 0 HA PRO A 65 4.885 2.819 -11.248 1.00 0.80 H new ATOM 0 HB2 PRO A 65 7.464 3.449 -11.876 1.00 0.90 H new ATOM 0 HB3 PRO A 65 6.153 4.267 -12.704 1.00 0.90 H new ATOM 0 HG2 PRO A 65 7.790 5.264 -10.320 1.00 0.88 H new ATOM 0 HG3 PRO A 65 7.333 6.148 -11.762 1.00 0.88 H new ATOM 0 HD2 PRO A 65 5.884 6.353 -9.430 1.00 0.77 H new ATOM 0 HD3 PRO A 65 5.127 6.526 -11.000 1.00 0.77 H new ATOM 1010 N PHE A 66 6.660 3.121 -8.565 1.00 0.76 N ATOM 1011 CA PHE A 66 7.333 2.424 -7.468 1.00 0.77 C ATOM 1012 C PHE A 66 7.547 3.345 -6.261 1.00 0.77 C ATOM 1013 O PHE A 66 7.522 4.569 -6.391 1.00 0.78 O ATOM 1014 CB PHE A 66 8.681 1.838 -7.927 1.00 0.86 C ATOM 1015 CG PHE A 66 9.661 2.874 -8.410 1.00 0.87 C ATOM 1016 CD1 PHE A 66 10.434 3.578 -7.477 1.00 2.45 C ATOM 1017 CD2 PHE A 66 9.758 3.158 -9.777 1.00 1.36 C ATOM 1018 CE1 PHE A 66 11.287 4.605 -7.895 1.00 2.46 C ATOM 1019 CE2 PHE A 66 10.638 4.170 -10.210 1.00 1.36 C ATOM 1020 CZ PHE A 66 11.398 4.896 -9.269 1.00 0.90 C ATOM 0 H PHE A 66 6.497 4.107 -8.359 1.00 0.76 H new ATOM 0 HA PHE A 66 6.681 1.606 -7.162 1.00 0.77 H new ATOM 0 HB2 PHE A 66 9.128 1.287 -7.099 1.00 0.86 H new ATOM 0 HB3 PHE A 66 8.501 1.121 -8.728 1.00 0.86 H new ATOM 0 HD1 PHE A 66 10.371 3.326 -6.429 1.00 2.45 H new ATOM 0 HD2 PHE A 66 9.165 2.608 -10.492 1.00 1.36 H new ATOM 0 HE1 PHE A 66 11.855 5.170 -7.171 1.00 2.46 H new ATOM 0 HE2 PHE A 66 10.731 4.390 -11.263 1.00 1.36 H new ATOM 0 HZ PHE A 66 12.066 5.676 -9.602 1.00 0.90 H new ATOM 1030 N LEU A 67 7.858 2.743 -5.108 1.00 0.78 N ATOM 1031 CA LEU A 67 8.485 3.410 -3.961 1.00 0.81 C ATOM 1032 C LEU A 67 9.934 2.934 -3.806 1.00 0.87 C ATOM 1033 O LEU A 67 10.250 1.801 -4.160 1.00 0.90 O ATOM 1034 CB LEU A 67 7.709 3.096 -2.669 1.00 0.80 C ATOM 1035 CG LEU A 67 6.195 3.367 -2.693 1.00 0.75 C ATOM 1036 CD1 LEU A 67 5.654 3.250 -1.270 1.00 0.81 C ATOM 1037 CD2 LEU A 67 5.816 4.744 -3.242 1.00 0.71 C ATOM 0 H LEU A 67 7.676 1.753 -4.942 1.00 0.78 H new ATOM 0 HA LEU A 67 8.470 4.486 -4.137 1.00 0.81 H new ATOM 0 HB2 LEU A 67 7.863 2.045 -2.426 1.00 0.80 H new ATOM 0 HB3 LEU A 67 8.147 3.678 -1.858 1.00 0.80 H new ATOM 0 HG LEU A 67 5.759 2.628 -3.365 1.00 0.75 H new ATOM 0 HD11 LEU A 67 4.581 3.440 -1.272 1.00 0.81 H new ATOM 0 HD12 LEU A 67 5.844 2.246 -0.890 1.00 0.81 H new ATOM 0 HD13 LEU A 67 6.150 3.980 -0.631 1.00 0.81 H new ATOM 0 HD21 LEU A 67 4.732 4.857 -3.225 1.00 0.71 H new ATOM 0 HD22 LEU A 67 6.271 5.519 -2.625 1.00 0.71 H new ATOM 0 HD23 LEU A 67 6.175 4.838 -4.267 1.00 0.71 H new ATOM 1049 N GLU A 68 10.796 3.777 -3.243 1.00 0.89 N ATOM 1050 CA GLU A 68 12.224 3.499 -3.033 1.00 0.89 C ATOM 1051 C GLU A 68 12.546 3.509 -1.540 1.00 0.92 C ATOM 1052 O GLU A 68 12.050 4.384 -0.825 1.00 1.00 O ATOM 1053 CB GLU A 68 13.066 4.585 -3.725 1.00 1.04 C ATOM 1054 CG GLU A 68 14.586 4.344 -3.642 1.00 1.00 C ATOM 1055 CD GLU A 68 15.096 3.423 -4.757 1.00 0.96 C ATOM 1056 OE1 GLU A 68 14.372 2.500 -5.185 1.00 1.89 O ATOM 1057 OE2 GLU A 68 16.193 3.693 -5.293 1.00 1.73 O ATOM 0 H GLU A 68 10.518 4.700 -2.909 1.00 0.89 H new ATOM 0 HA GLU A 68 12.456 2.519 -3.451 1.00 0.89 H new ATOM 0 HB2 GLU A 68 12.774 4.644 -4.774 1.00 1.04 H new ATOM 0 HB3 GLU A 68 12.836 5.551 -3.275 1.00 1.04 H new ATOM 0 HG2 GLU A 68 15.106 5.300 -3.699 1.00 1.00 H new ATOM 0 HG3 GLU A 68 14.829 3.906 -2.674 1.00 1.00 H new ATOM 1064 N VAL A 69 13.423 2.599 -1.091 1.00 0.88 N ATOM 1065 CA VAL A 69 13.975 2.591 0.275 1.00 0.91 C ATOM 1066 C VAL A 69 15.489 2.297 0.332 1.00 0.90 C ATOM 1067 O VAL A 69 15.930 1.281 -0.209 1.00 0.92 O ATOM 1068 CB VAL A 69 13.212 1.586 1.181 1.00 0.90 C ATOM 1069 CG1 VAL A 69 13.660 1.643 2.655 1.00 0.96 C ATOM 1070 CG2 VAL A 69 11.694 1.806 1.120 1.00 0.95 C ATOM 0 H VAL A 69 13.774 1.838 -1.672 1.00 0.88 H new ATOM 0 HA VAL A 69 13.835 3.605 0.649 1.00 0.91 H new ATOM 0 HB VAL A 69 13.459 0.601 0.784 1.00 0.90 H new ATOM 0 HG11 VAL A 69 13.091 0.918 3.237 1.00 0.96 H new ATOM 0 HG12 VAL A 69 14.722 1.408 2.722 1.00 0.96 H new ATOM 0 HG13 VAL A 69 13.484 2.644 3.050 1.00 0.96 H new ATOM 0 HG21 VAL A 69 11.195 1.084 1.767 1.00 0.95 H new ATOM 0 HG22 VAL A 69 11.459 2.816 1.455 1.00 0.95 H new ATOM 0 HG23 VAL A 69 11.348 1.674 0.095 1.00 0.95 H new ATOM 1080 N PRO A 70 16.302 3.134 1.018 1.00 0.94 N ATOM 1081 CA PRO A 70 17.753 2.965 1.126 1.00 0.94 C ATOM 1082 C PRO A 70 18.147 1.834 2.100 1.00 0.98 C ATOM 1083 O PRO A 70 17.350 1.482 2.970 1.00 1.09 O ATOM 1084 CB PRO A 70 18.278 4.324 1.607 1.00 0.98 C ATOM 1085 CG PRO A 70 17.130 4.857 2.458 1.00 1.00 C ATOM 1086 CD PRO A 70 15.898 4.356 1.706 1.00 0.99 C ATOM 0 HA PRO A 70 18.185 2.670 0.170 1.00 0.94 H new ATOM 0 HB2 PRO A 70 19.195 4.220 2.187 1.00 0.98 H new ATOM 0 HB3 PRO A 70 18.503 4.988 0.772 1.00 0.98 H new ATOM 0 HG2 PRO A 70 17.168 4.472 3.477 1.00 1.00 H new ATOM 0 HG3 PRO A 70 17.148 5.945 2.528 1.00 1.00 H new ATOM 0 HD2 PRO A 70 15.076 4.160 2.395 1.00 0.99 H new ATOM 0 HD3 PRO A 70 15.547 5.104 0.995 1.00 0.99 H new ATOM 1094 N PRO A 71 19.368 1.271 1.980 1.00 0.92 N ATOM 1095 CA PRO A 71 19.831 0.133 2.779 1.00 0.88 C ATOM 1096 C PRO A 71 19.878 0.442 4.280 1.00 0.96 C ATOM 1097 O PRO A 71 20.343 1.503 4.689 1.00 1.12 O ATOM 1098 CB PRO A 71 21.202 -0.244 2.213 1.00 0.86 C ATOM 1099 CG PRO A 71 21.685 1.014 1.503 1.00 0.91 C ATOM 1100 CD PRO A 71 20.389 1.649 1.013 1.00 0.92 C ATOM 0 HA PRO A 71 19.134 -0.702 2.706 1.00 0.88 H new ATOM 0 HB2 PRO A 71 21.890 -0.541 3.005 1.00 0.86 H new ATOM 0 HB3 PRO A 71 21.128 -1.085 1.523 1.00 0.86 H new ATOM 0 HG2 PRO A 71 22.229 1.675 2.178 1.00 0.91 H new ATOM 0 HG3 PRO A 71 22.357 0.779 0.677 1.00 0.91 H new ATOM 0 HD2 PRO A 71 20.485 2.733 0.950 1.00 0.92 H new ATOM 0 HD3 PRO A 71 20.133 1.293 0.015 1.00 0.92 H new ATOM 1108 N LYS A 72 19.345 -0.493 5.084 1.00 0.92 N ATOM 1109 CA LYS A 72 19.161 -0.456 6.555 1.00 1.01 C ATOM 1110 C LYS A 72 18.062 0.523 7.023 1.00 1.09 C ATOM 1111 O LYS A 72 17.626 0.488 8.173 1.00 1.21 O ATOM 1112 CB LYS A 72 20.487 -0.221 7.300 1.00 1.15 C ATOM 1113 CG LYS A 72 21.460 -1.406 7.233 1.00 1.45 C ATOM 1114 CD LYS A 72 22.196 -1.573 5.896 1.00 1.69 C ATOM 1115 CE LYS A 72 23.231 -2.705 5.905 1.00 1.47 C ATOM 1116 NZ LYS A 72 22.698 -3.963 5.332 1.00 1.69 N ATOM 0 H LYS A 72 19.001 -1.371 4.694 1.00 0.92 H new ATOM 0 HA LYS A 72 18.803 -1.450 6.822 1.00 1.01 H new ATOM 0 HB2 LYS A 72 20.975 0.660 6.883 1.00 1.15 H new ATOM 0 HB3 LYS A 72 20.270 -0.001 8.345 1.00 1.15 H new ATOM 0 HG2 LYS A 72 22.200 -1.293 8.025 1.00 1.45 H new ATOM 0 HG3 LYS A 72 20.907 -2.322 7.442 1.00 1.45 H new ATOM 0 HD2 LYS A 72 21.466 -1.765 5.110 1.00 1.69 H new ATOM 0 HD3 LYS A 72 22.695 -0.637 5.646 1.00 1.69 H new ATOM 0 HE2 LYS A 72 24.109 -2.395 5.339 1.00 1.47 H new ATOM 0 HE3 LYS A 72 23.559 -2.886 6.929 1.00 1.47 H new ATOM 0 HZ1 LYS A 72 23.484 -4.540 4.969 1.00 1.69 H new ATOM 0 HZ2 LYS A 72 22.191 -4.493 6.069 1.00 1.69 H new ATOM 0 HZ3 LYS A 72 22.044 -3.741 4.554 1.00 1.69 H new ATOM 1130 N GLY A 73 17.616 1.384 6.111 1.00 1.19 N ATOM 1131 CA GLY A 73 16.585 2.396 6.326 1.00 1.35 C ATOM 1132 C GLY A 73 15.167 1.828 6.276 1.00 1.24 C ATOM 1133 O GLY A 73 14.934 0.709 5.812 1.00 1.11 O ATOM 0 H GLY A 73 17.980 1.395 5.158 1.00 1.19 H new ATOM 0 HA2 GLY A 73 16.746 2.870 7.294 1.00 1.35 H new ATOM 0 HA3 GLY A 73 16.685 3.174 5.569 1.00 1.35 H new ATOM 1137 N ARG A 74 14.223 2.651 6.745 1.00 1.45 N ATOM 1138 CA ARG A 74 12.778 2.427 6.667 1.00 1.45 C ATOM 1139 C ARG A 74 12.063 3.572 5.939 1.00 1.83 C ATOM 1140 O ARG A 74 12.469 4.722 6.097 1.00 2.24 O ATOM 1141 CB ARG A 74 12.181 2.309 8.080 1.00 1.68 C ATOM 1142 CG ARG A 74 12.262 0.884 8.629 1.00 1.71 C ATOM 1143 CD ARG A 74 11.355 0.711 9.824 1.00 1.93 C ATOM 1144 NE ARG A 74 11.274 -0.678 10.314 1.00 3.01 N ATOM 1145 CZ ARG A 74 10.401 -1.117 11.208 1.00 3.64 C ATOM 1146 NH1 ARG A 74 9.559 -0.314 11.818 1.00 3.69 N ATOM 1147 NH2 ARG A 74 10.330 -2.394 11.481 1.00 4.84 N ATOM 0 H ARG A 74 14.457 3.529 7.209 1.00 1.45 H new ATOM 0 HA ARG A 74 12.629 1.503 6.109 1.00 1.45 H new ATOM 0 HB2 ARG A 74 12.709 2.985 8.752 1.00 1.68 H new ATOM 0 HB3 ARG A 74 11.139 2.629 8.059 1.00 1.68 H new ATOM 0 HG2 ARG A 74 11.983 0.174 7.850 1.00 1.71 H new ATOM 0 HG3 ARG A 74 13.290 0.658 8.913 1.00 1.71 H new ATOM 0 HD2 ARG A 74 11.708 1.351 10.632 1.00 1.93 H new ATOM 0 HD3 ARG A 74 10.354 1.053 9.561 1.00 1.93 H new ATOM 0 HE ARG A 74 11.941 -1.351 9.936 1.00 3.01 H new ATOM 0 HH11 ARG A 74 9.564 0.684 11.608 1.00 3.69 H new ATOM 0 HH12 ARG A 74 8.901 -0.689 12.501 1.00 3.69 H new ATOM 0 HH21 ARG A 74 10.947 -3.052 11.005 1.00 4.84 H new ATOM 0 HH22 ARG A 74 9.658 -2.732 12.170 1.00 4.84 H new ATOM 1161 N VAL A 75 10.992 3.267 5.197 1.00 1.91 N ATOM 1162 CA VAL A 75 10.071 4.260 4.591 1.00 2.45 C ATOM 1163 C VAL A 75 8.676 3.647 4.413 1.00 2.02 C ATOM 1164 O VAL A 75 8.318 3.118 3.360 1.00 2.51 O ATOM 1165 CB VAL A 75 10.530 4.868 3.236 1.00 3.36 C ATOM 1166 CG1 VAL A 75 9.584 6.026 2.836 1.00 4.05 C ATOM 1167 CG2 VAL A 75 11.959 5.438 3.203 1.00 3.86 C ATOM 0 H VAL A 75 10.728 2.304 4.991 1.00 1.91 H new ATOM 0 HA VAL A 75 10.063 5.089 5.299 1.00 2.45 H new ATOM 0 HB VAL A 75 10.504 4.023 2.548 1.00 3.36 H new ATOM 0 HG11 VAL A 75 9.909 6.450 1.886 1.00 4.05 H new ATOM 0 HG12 VAL A 75 8.567 5.647 2.735 1.00 4.05 H new ATOM 0 HG13 VAL A 75 9.609 6.798 3.605 1.00 4.05 H new ATOM 0 HG21 VAL A 75 12.170 5.834 2.210 1.00 3.86 H new ATOM 0 HG22 VAL A 75 12.049 6.237 3.939 1.00 3.86 H new ATOM 0 HG23 VAL A 75 12.672 4.647 3.437 1.00 3.86 H new ATOM 1177 N GLU A 76 7.854 3.799 5.444 1.00 1.67 N ATOM 1178 CA GLU A 76 6.538 3.160 5.539 1.00 1.25 C ATOM 1179 C GLU A 76 5.560 3.849 4.575 1.00 1.13 C ATOM 1180 O GLU A 76 5.649 5.066 4.340 1.00 1.25 O ATOM 1181 CB GLU A 76 5.993 3.305 6.979 1.00 1.38 C ATOM 1182 CG GLU A 76 6.683 2.523 8.112 1.00 2.08 C ATOM 1183 CD GLU A 76 8.182 2.357 7.907 1.00 3.31 C ATOM 1184 OE1 GLU A 76 8.872 3.399 7.979 1.00 3.80 O ATOM 1185 OE2 GLU A 76 8.594 1.231 7.561 1.00 4.79 O ATOM 0 H GLU A 76 8.082 4.378 6.252 1.00 1.67 H new ATOM 0 HA GLU A 76 6.636 2.105 5.281 1.00 1.25 H new ATOM 0 HB2 GLU A 76 6.025 4.363 7.240 1.00 1.38 H new ATOM 0 HB3 GLU A 76 4.943 3.012 6.966 1.00 1.38 H new ATOM 0 HG2 GLU A 76 6.508 3.037 9.057 1.00 2.08 H new ATOM 0 HG3 GLU A 76 6.224 1.538 8.195 1.00 2.08 H new ATOM 1192 N LEU A 77 4.606 3.090 4.023 1.00 0.98 N ATOM 1193 CA LEU A 77 3.535 3.658 3.207 1.00 0.97 C ATOM 1194 C LEU A 77 2.736 4.663 4.043 1.00 1.30 C ATOM 1195 O LEU A 77 2.306 4.391 5.162 1.00 2.46 O ATOM 1196 CB LEU A 77 2.644 2.561 2.595 1.00 0.94 C ATOM 1197 CG LEU A 77 3.220 1.976 1.288 1.00 0.84 C ATOM 1198 CD1 LEU A 77 4.272 0.883 1.529 1.00 0.90 C ATOM 1199 CD2 LEU A 77 2.087 1.418 0.424 1.00 1.09 C ATOM 0 H LEU A 77 4.557 2.077 4.129 1.00 0.98 H new ATOM 0 HA LEU A 77 3.974 4.190 2.363 1.00 0.97 H new ATOM 0 HB2 LEU A 77 2.516 1.758 3.321 1.00 0.94 H new ATOM 0 HB3 LEU A 77 1.654 2.973 2.397 1.00 0.94 H new ATOM 0 HG LEU A 77 3.723 2.794 0.773 1.00 0.84 H new ATOM 0 HD11 LEU A 77 4.638 0.513 0.571 1.00 0.90 H new ATOM 0 HD12 LEU A 77 5.103 1.298 2.099 1.00 0.90 H new ATOM 0 HD13 LEU A 77 3.822 0.062 2.088 1.00 0.90 H new ATOM 0 HD21 LEU A 77 2.500 1.007 -0.497 1.00 1.09 H new ATOM 0 HD22 LEU A 77 1.566 0.632 0.971 1.00 1.09 H new ATOM 0 HD23 LEU A 77 1.387 2.217 0.182 1.00 1.09 H new ATOM 1211 N LYS A 78 2.584 5.877 3.515 1.00 1.30 N ATOM 1212 CA LYS A 78 2.075 6.997 4.297 1.00 1.66 C ATOM 1213 C LYS A 78 0.553 6.841 4.514 1.00 1.07 C ATOM 1214 O LYS A 78 -0.168 6.897 3.518 1.00 0.81 O ATOM 1215 CB LYS A 78 2.403 8.322 3.582 1.00 2.36 C ATOM 1216 CG LYS A 78 3.840 8.845 3.705 1.00 1.95 C ATOM 1217 CD LYS A 78 4.917 8.089 2.893 1.00 2.75 C ATOM 1218 CE LYS A 78 6.361 8.385 3.321 1.00 2.98 C ATOM 1219 NZ LYS A 78 6.786 7.554 4.476 1.00 3.32 N ATOM 0 H LYS A 78 2.807 6.108 2.547 1.00 1.30 H new ATOM 0 HA LYS A 78 2.556 7.008 5.275 1.00 1.66 H new ATOM 0 HB2 LYS A 78 2.177 8.200 2.523 1.00 2.36 H new ATOM 0 HB3 LYS A 78 1.730 9.089 3.965 1.00 2.36 H new ATOM 0 HG2 LYS A 78 3.851 9.891 3.397 1.00 1.95 H new ATOM 0 HG3 LYS A 78 4.124 8.820 4.757 1.00 1.95 H new ATOM 0 HD2 LYS A 78 4.737 7.018 2.984 1.00 2.75 H new ATOM 0 HD3 LYS A 78 4.804 8.343 1.839 1.00 2.75 H new ATOM 0 HE2 LYS A 78 7.031 8.205 2.480 1.00 2.98 H new ATOM 0 HE3 LYS A 78 6.452 9.440 3.581 1.00 2.98 H new ATOM 0 HZ1 LYS A 78 7.824 7.540 4.530 1.00 3.32 H new ATOM 0 HZ2 LYS A 78 6.399 7.956 5.354 1.00 3.32 H new ATOM 0 HZ3 LYS A 78 6.433 6.584 4.354 1.00 3.32 H new ATOM 1233 N PRO A 79 0.046 6.806 5.768 1.00 1.49 N ATOM 1234 CA PRO A 79 -1.381 6.637 6.066 1.00 1.72 C ATOM 1235 C PRO A 79 -2.287 7.758 5.523 1.00 1.50 C ATOM 1236 O PRO A 79 -3.505 7.591 5.530 1.00 2.56 O ATOM 1237 CB PRO A 79 -1.473 6.489 7.587 1.00 2.45 C ATOM 1238 CG PRO A 79 -0.235 7.219 8.099 1.00 2.45 C ATOM 1239 CD PRO A 79 0.798 6.918 7.015 1.00 2.23 C ATOM 0 HA PRO A 79 -1.763 5.757 5.549 1.00 1.72 H new ATOM 0 HB2 PRO A 79 -2.389 6.932 7.977 1.00 2.45 H new ATOM 0 HB3 PRO A 79 -1.473 5.441 7.888 1.00 2.45 H new ATOM 0 HG2 PRO A 79 -0.410 8.289 8.206 1.00 2.45 H new ATOM 0 HG3 PRO A 79 0.080 6.848 9.074 1.00 2.45 H new ATOM 0 HD2 PRO A 79 1.542 7.712 6.953 1.00 2.23 H new ATOM 0 HD3 PRO A 79 1.335 5.995 7.232 1.00 2.23 H new ATOM 1247 N GLY A 80 -1.713 8.871 5.035 1.00 1.03 N ATOM 1248 CA GLY A 80 -2.419 9.882 4.235 1.00 1.22 C ATOM 1249 C GLY A 80 -1.791 10.230 2.877 1.00 1.29 C ATOM 1250 O GLY A 80 -2.342 11.096 2.207 1.00 2.30 O ATOM 0 H GLY A 80 -0.730 9.095 5.189 1.00 1.03 H new ATOM 0 HA2 GLY A 80 -3.437 9.533 4.063 1.00 1.22 H new ATOM 0 HA3 GLY A 80 -2.491 10.796 4.824 1.00 1.22 H new ATOM 1254 N GLY A 81 -0.660 9.620 2.465 1.00 0.72 N ATOM 1255 CA GLY A 81 0.073 10.027 1.244 1.00 0.83 C ATOM 1256 C GLY A 81 0.470 8.951 0.243 1.00 0.92 C ATOM 1257 O GLY A 81 0.736 9.289 -0.896 1.00 1.97 O ATOM 0 H GLY A 81 -0.231 8.839 2.962 1.00 0.72 H new ATOM 0 HA2 GLY A 81 -0.540 10.759 0.718 1.00 0.83 H new ATOM 0 HA3 GLY A 81 0.982 10.539 1.558 1.00 0.83 H new ATOM 1261 N TYR A 82 0.538 7.678 0.622 1.00 0.91 N ATOM 1262 CA TYR A 82 0.832 6.548 -0.276 1.00 0.78 C ATOM 1263 C TYR A 82 0.176 5.266 0.207 1.00 0.69 C ATOM 1264 O TYR A 82 0.231 4.921 1.385 1.00 0.68 O ATOM 1265 CB TYR A 82 2.329 6.262 -0.413 1.00 0.88 C ATOM 1266 CG TYR A 82 3.090 7.295 -1.208 1.00 0.87 C ATOM 1267 CD1 TYR A 82 3.498 8.484 -0.587 1.00 2.31 C ATOM 1268 CD2 TYR A 82 3.296 7.115 -2.586 1.00 1.75 C ATOM 1269 CE1 TYR A 82 4.037 9.529 -1.349 1.00 2.37 C ATOM 1270 CE2 TYR A 82 3.900 8.131 -3.344 1.00 1.81 C ATOM 1271 CZ TYR A 82 4.223 9.368 -2.739 1.00 1.12 C ATOM 1272 OH TYR A 82 4.637 10.426 -3.485 1.00 1.37 O ATOM 0 H TYR A 82 0.387 7.388 1.588 1.00 0.91 H new ATOM 0 HA TYR A 82 0.432 6.852 -1.243 1.00 0.78 H new ATOM 0 HB2 TYR A 82 2.766 6.193 0.583 1.00 0.88 H new ATOM 0 HB3 TYR A 82 2.459 5.289 -0.886 1.00 0.88 H new ATOM 0 HD1 TYR A 82 3.396 8.595 0.482 1.00 2.31 H new ATOM 0 HD2 TYR A 82 2.990 6.195 -3.062 1.00 1.75 H new ATOM 0 HE1 TYR A 82 4.310 10.459 -0.872 1.00 2.37 H new ATOM 0 HE2 TYR A 82 4.118 7.968 -4.389 1.00 1.81 H new ATOM 0 HH TYR A 82 4.719 10.153 -4.423 1.00 1.37 H new ATOM 1282 N HIS A 83 -0.420 4.548 -0.728 1.00 0.63 N ATOM 1283 CA HIS A 83 -1.229 3.367 -0.457 1.00 0.60 C ATOM 1284 C HIS A 83 -1.317 2.479 -1.698 1.00 0.51 C ATOM 1285 O HIS A 83 -1.285 2.968 -2.829 1.00 0.52 O ATOM 1286 CB HIS A 83 -2.619 3.801 0.031 1.00 0.64 C ATOM 1287 CG HIS A 83 -3.411 4.594 -0.976 1.00 0.56 C ATOM 1288 ND1 HIS A 83 -3.260 5.934 -1.272 1.00 0.57 N ATOM 1289 CD2 HIS A 83 -4.336 4.090 -1.848 1.00 0.53 C ATOM 1290 CE1 HIS A 83 -4.045 6.215 -2.320 1.00 0.52 C ATOM 1291 NE2 HIS A 83 -4.737 5.129 -2.683 1.00 0.52 N ATOM 0 H HIS A 83 -0.355 4.773 -1.721 1.00 0.63 H new ATOM 0 HA HIS A 83 -0.759 2.775 0.328 1.00 0.60 H new ATOM 0 HB2 HIS A 83 -3.188 2.913 0.305 1.00 0.64 H new ATOM 0 HB3 HIS A 83 -2.503 4.398 0.936 1.00 0.64 H new ATOM 0 HD1 HIS A 83 -2.657 6.593 -0.780 1.00 0.57 H new ATOM 0 HD2 HIS A 83 -4.691 3.071 -1.883 1.00 0.53 H new ATOM 0 HE1 HIS A 83 -4.110 7.179 -2.802 1.00 0.52 H new ATOM 1299 N PHE A 84 -1.510 1.180 -1.496 1.00 0.48 N ATOM 1300 CA PHE A 84 -2.008 0.319 -2.562 1.00 0.47 C ATOM 1301 C PHE A 84 -3.524 0.507 -2.676 1.00 0.45 C ATOM 1302 O PHE A 84 -4.196 0.688 -1.658 1.00 0.54 O ATOM 1303 CB PHE A 84 -1.680 -1.133 -2.229 1.00 0.55 C ATOM 1304 CG PHE A 84 -0.202 -1.420 -2.286 1.00 0.62 C ATOM 1305 CD1 PHE A 84 0.395 -1.681 -3.530 1.00 1.30 C ATOM 1306 CD2 PHE A 84 0.580 -1.398 -1.114 1.00 1.79 C ATOM 1307 CE1 PHE A 84 1.763 -1.980 -3.598 1.00 1.30 C ATOM 1308 CE2 PHE A 84 1.947 -1.707 -1.182 1.00 1.88 C ATOM 1309 CZ PHE A 84 2.528 -2.017 -2.420 1.00 0.85 C ATOM 0 H PHE A 84 -1.331 0.704 -0.612 1.00 0.48 H new ATOM 0 HA PHE A 84 -1.538 0.578 -3.511 1.00 0.47 H new ATOM 0 HB2 PHE A 84 -2.054 -1.367 -1.232 1.00 0.55 H new ATOM 0 HB3 PHE A 84 -2.201 -1.789 -2.927 1.00 0.55 H new ATOM 0 HD1 PHE A 84 -0.198 -1.651 -4.432 1.00 1.30 H new ATOM 0 HD2 PHE A 84 0.129 -1.144 -0.166 1.00 1.79 H new ATOM 0 HE1 PHE A 84 2.227 -2.181 -4.552 1.00 1.30 H new ATOM 0 HE2 PHE A 84 2.549 -1.706 -0.285 1.00 1.88 H new ATOM 0 HZ PHE A 84 3.573 -2.287 -2.468 1.00 0.85 H new ATOM 1319 N MET A 85 -4.066 0.422 -3.888 1.00 0.40 N ATOM 1320 CA MET A 85 -5.493 0.333 -4.205 1.00 0.43 C ATOM 1321 C MET A 85 -5.806 -1.095 -4.650 1.00 0.45 C ATOM 1322 O MET A 85 -5.206 -1.611 -5.594 1.00 0.56 O ATOM 1323 CB MET A 85 -5.849 1.298 -5.323 1.00 0.55 C ATOM 1324 CG MET A 85 -7.326 1.723 -5.329 1.00 0.65 C ATOM 1325 SD MET A 85 -7.690 3.327 -4.539 1.00 0.96 S ATOM 1326 CE MET A 85 -8.461 2.744 -3.010 1.00 0.90 C ATOM 0 H MET A 85 -3.487 0.413 -4.728 1.00 0.40 H new ATOM 0 HA MET A 85 -6.076 0.593 -3.322 1.00 0.43 H new ATOM 0 HB2 MET A 85 -5.225 2.187 -5.235 1.00 0.55 H new ATOM 0 HB3 MET A 85 -5.610 0.834 -6.280 1.00 0.55 H new ATOM 0 HG2 MET A 85 -7.670 1.761 -6.363 1.00 0.65 H new ATOM 0 HG3 MET A 85 -7.909 0.951 -4.827 1.00 0.65 H new ATOM 0 HE1 MET A 85 -8.572 3.578 -2.317 1.00 0.90 H new ATOM 0 HE2 MET A 85 -9.442 2.326 -3.234 1.00 0.90 H new ATOM 0 HE3 MET A 85 -7.834 1.976 -2.556 1.00 0.90 H new ATOM 1336 N LEU A 86 -6.756 -1.713 -3.971 1.00 0.44 N ATOM 1337 CA LEU A 86 -7.137 -3.120 -4.117 1.00 0.45 C ATOM 1338 C LEU A 86 -8.490 -3.211 -4.828 1.00 0.43 C ATOM 1339 O LEU A 86 -9.440 -2.527 -4.434 1.00 0.52 O ATOM 1340 CB LEU A 86 -7.222 -3.794 -2.733 1.00 0.50 C ATOM 1341 CG LEU A 86 -5.886 -4.211 -2.080 1.00 0.51 C ATOM 1342 CD1 LEU A 86 -4.918 -3.047 -1.816 1.00 0.53 C ATOM 1343 CD2 LEU A 86 -6.195 -4.900 -0.741 1.00 0.58 C ATOM 0 H LEU A 86 -7.314 -1.230 -3.267 1.00 0.44 H new ATOM 0 HA LEU A 86 -6.382 -3.636 -4.710 1.00 0.45 H new ATOM 0 HB2 LEU A 86 -7.734 -3.113 -2.054 1.00 0.50 H new ATOM 0 HB3 LEU A 86 -7.847 -4.682 -2.825 1.00 0.50 H new ATOM 0 HG LEU A 86 -5.388 -4.873 -2.788 1.00 0.51 H new ATOM 0 HD11 LEU A 86 -4.006 -3.429 -1.356 1.00 0.53 H new ATOM 0 HD12 LEU A 86 -4.672 -2.558 -2.758 1.00 0.53 H new ATOM 0 HD13 LEU A 86 -5.388 -2.328 -1.146 1.00 0.53 H new ATOM 0 HD21 LEU A 86 -5.263 -5.202 -0.264 1.00 0.58 H new ATOM 0 HD22 LEU A 86 -6.728 -4.207 -0.090 1.00 0.58 H new ATOM 0 HD23 LEU A 86 -6.814 -5.780 -0.919 1.00 0.58 H new ATOM 1355 N LEU A 87 -8.599 -4.092 -5.827 1.00 0.40 N ATOM 1356 CA LEU A 87 -9.842 -4.356 -6.562 1.00 0.44 C ATOM 1357 C LEU A 87 -10.068 -5.860 -6.761 1.00 0.45 C ATOM 1358 O LEU A 87 -9.115 -6.622 -6.929 1.00 0.52 O ATOM 1359 CB LEU A 87 -9.803 -3.637 -7.934 1.00 0.61 C ATOM 1360 CG LEU A 87 -10.967 -2.652 -8.152 1.00 1.51 C ATOM 1361 CD1 LEU A 87 -10.668 -1.285 -7.518 1.00 2.17 C ATOM 1362 CD2 LEU A 87 -11.221 -2.453 -9.652 1.00 2.09 C ATOM 0 H LEU A 87 -7.812 -4.652 -6.154 1.00 0.40 H new ATOM 0 HA LEU A 87 -10.673 -3.970 -5.972 1.00 0.44 H new ATOM 0 HB2 LEU A 87 -8.860 -3.097 -8.024 1.00 0.61 H new ATOM 0 HB3 LEU A 87 -9.819 -4.385 -8.727 1.00 0.61 H new ATOM 0 HG LEU A 87 -11.849 -3.079 -7.676 1.00 1.51 H new ATOM 0 HD11 LEU A 87 -11.509 -0.613 -7.689 1.00 2.17 H new ATOM 0 HD12 LEU A 87 -10.514 -1.407 -6.446 1.00 2.17 H new ATOM 0 HD13 LEU A 87 -9.769 -0.864 -7.968 1.00 2.17 H new ATOM 0 HD21 LEU A 87 -12.046 -1.755 -9.792 1.00 2.09 H new ATOM 0 HD22 LEU A 87 -10.323 -2.053 -10.123 1.00 2.09 H new ATOM 0 HD23 LEU A 87 -11.474 -3.410 -10.108 1.00 2.09 H new ATOM 1374 N GLY A 88 -11.337 -6.280 -6.804 1.00 0.49 N ATOM 1375 CA GLY A 88 -11.735 -7.635 -7.206 1.00 0.59 C ATOM 1376 C GLY A 88 -11.487 -8.688 -6.129 1.00 0.66 C ATOM 1377 O GLY A 88 -10.981 -9.766 -6.443 1.00 0.87 O ATOM 0 H GLY A 88 -12.126 -5.682 -6.558 1.00 0.49 H new ATOM 0 HA2 GLY A 88 -12.794 -7.633 -7.463 1.00 0.59 H new ATOM 0 HA3 GLY A 88 -11.189 -7.913 -8.107 1.00 0.59 H new ATOM 1381 N LEU A 89 -11.754 -8.355 -4.862 1.00 0.65 N ATOM 1382 CA LEU A 89 -11.515 -9.240 -3.723 1.00 0.75 C ATOM 1383 C LEU A 89 -12.205 -10.600 -3.774 1.00 0.85 C ATOM 1384 O LEU A 89 -13.212 -10.835 -4.439 1.00 1.12 O ATOM 1385 CB LEU A 89 -11.703 -8.522 -2.375 1.00 0.83 C ATOM 1386 CG LEU A 89 -13.055 -7.858 -2.045 1.00 1.11 C ATOM 1387 CD1 LEU A 89 -14.236 -8.836 -1.984 1.00 1.71 C ATOM 1388 CD2 LEU A 89 -12.893 -7.182 -0.681 1.00 1.43 C ATOM 0 H LEU A 89 -12.147 -7.452 -4.598 1.00 0.65 H new ATOM 0 HA LEU A 89 -10.460 -9.498 -3.814 1.00 0.75 H new ATOM 0 HB2 LEU A 89 -11.496 -9.247 -1.588 1.00 0.83 H new ATOM 0 HB3 LEU A 89 -10.936 -7.750 -2.307 1.00 0.83 H new ATOM 0 HG LEU A 89 -13.293 -7.158 -2.846 1.00 1.11 H new ATOM 0 HD11 LEU A 89 -15.149 -8.290 -1.747 1.00 1.71 H new ATOM 0 HD12 LEU A 89 -14.349 -9.330 -2.949 1.00 1.71 H new ATOM 0 HD13 LEU A 89 -14.050 -9.584 -1.213 1.00 1.71 H new ATOM 0 HD21 LEU A 89 -13.828 -6.696 -0.403 1.00 1.43 H new ATOM 0 HD22 LEU A 89 -12.636 -7.931 0.068 1.00 1.43 H new ATOM 0 HD23 LEU A 89 -12.099 -6.437 -0.736 1.00 1.43 H new ATOM 1400 N LYS A 90 -11.585 -11.509 -3.026 1.00 0.81 N ATOM 1401 CA LYS A 90 -11.900 -12.945 -3.024 1.00 0.91 C ATOM 1402 C LYS A 90 -12.539 -13.412 -1.700 1.00 1.02 C ATOM 1403 O LYS A 90 -13.212 -14.440 -1.645 1.00 1.08 O ATOM 1404 CB LYS A 90 -10.621 -13.727 -3.364 1.00 0.86 C ATOM 1405 CG LYS A 90 -9.874 -13.226 -4.620 1.00 0.86 C ATOM 1406 CD LYS A 90 -10.711 -13.250 -5.907 1.00 1.22 C ATOM 1407 CE LYS A 90 -9.832 -12.824 -7.089 1.00 1.10 C ATOM 1408 NZ LYS A 90 -10.547 -12.912 -8.379 1.00 1.88 N ATOM 0 H LYS A 90 -10.829 -11.266 -2.386 1.00 0.81 H new ATOM 0 HA LYS A 90 -12.656 -13.143 -3.784 1.00 0.91 H new ATOM 0 HB2 LYS A 90 -9.944 -13.678 -2.511 1.00 0.86 H new ATOM 0 HB3 LYS A 90 -10.880 -14.776 -3.506 1.00 0.86 H new ATOM 0 HG2 LYS A 90 -9.532 -12.206 -4.442 1.00 0.86 H new ATOM 0 HG3 LYS A 90 -8.985 -13.839 -4.768 1.00 0.86 H new ATOM 0 HD2 LYS A 90 -11.110 -14.250 -6.077 1.00 1.22 H new ATOM 0 HD3 LYS A 90 -11.564 -12.578 -5.812 1.00 1.22 H new ATOM 0 HE2 LYS A 90 -9.490 -11.801 -6.935 1.00 1.10 H new ATOM 0 HE3 LYS A 90 -8.944 -13.455 -7.124 1.00 1.10 H new ATOM 0 HZ1 LYS A 90 -9.883 -13.203 -9.125 1.00 1.88 H new ATOM 0 HZ2 LYS A 90 -11.312 -13.612 -8.305 1.00 1.88 H new ATOM 0 HZ3 LYS A 90 -10.949 -11.983 -8.617 1.00 1.88 H new ATOM 1422 N ARG A 91 -12.344 -12.614 -0.642 1.00 1.12 N ATOM 1423 CA ARG A 91 -13.044 -12.635 0.653 1.00 1.19 C ATOM 1424 C ARG A 91 -13.160 -11.176 1.158 1.00 1.29 C ATOM 1425 O ARG A 91 -12.180 -10.446 0.998 1.00 1.61 O ATOM 1426 CB ARG A 91 -12.283 -13.491 1.685 1.00 1.59 C ATOM 1427 CG ARG A 91 -12.075 -14.956 1.265 1.00 2.52 C ATOM 1428 CD ARG A 91 -11.165 -15.695 2.250 1.00 2.94 C ATOM 1429 NE ARG A 91 -11.014 -17.116 1.877 1.00 4.10 N ATOM 1430 CZ ARG A 91 -10.126 -17.969 2.383 1.00 4.86 C ATOM 1431 NH1 ARG A 91 -9.227 -17.598 3.274 1.00 5.00 N ATOM 1432 NH2 ARG A 91 -10.130 -19.225 1.989 1.00 6.11 N ATOM 0 H ARG A 91 -11.638 -11.879 -0.670 1.00 1.12 H new ATOM 0 HA ARG A 91 -14.032 -13.078 0.525 1.00 1.19 H new ATOM 0 HB2 ARG A 91 -11.309 -13.037 1.869 1.00 1.59 H new ATOM 0 HB3 ARG A 91 -12.828 -13.470 2.629 1.00 1.59 H new ATOM 0 HG2 ARG A 91 -13.040 -15.461 1.209 1.00 2.52 H new ATOM 0 HG3 ARG A 91 -11.638 -14.992 0.267 1.00 2.52 H new ATOM 0 HD2 ARG A 91 -10.186 -15.217 2.273 1.00 2.94 H new ATOM 0 HD3 ARG A 91 -11.579 -15.623 3.256 1.00 2.94 H new ATOM 0 HE ARG A 91 -11.649 -17.477 1.165 1.00 4.10 H new ATOM 0 HH11 ARG A 91 -9.197 -16.631 3.596 1.00 5.00 H new ATOM 0 HH12 ARG A 91 -8.561 -18.278 3.641 1.00 5.00 H new ATOM 0 HH21 ARG A 91 -10.811 -19.541 1.299 1.00 6.11 H new ATOM 0 HH22 ARG A 91 -9.452 -19.882 2.374 1.00 6.11 H new ATOM 1446 N PRO A 92 -14.312 -10.725 1.695 1.00 1.29 N ATOM 1447 CA PRO A 92 -14.511 -9.339 2.115 1.00 1.50 C ATOM 1448 C PRO A 92 -13.647 -9.007 3.338 1.00 1.55 C ATOM 1449 O PRO A 92 -13.569 -9.814 4.260 1.00 1.70 O ATOM 1450 CB PRO A 92 -16.009 -9.195 2.397 1.00 1.70 C ATOM 1451 CG PRO A 92 -16.450 -10.622 2.728 1.00 1.62 C ATOM 1452 CD PRO A 92 -15.540 -11.486 1.859 1.00 1.34 C ATOM 0 HA PRO A 92 -14.202 -8.632 1.345 1.00 1.50 H new ATOM 0 HB2 PRO A 92 -16.197 -8.514 3.227 1.00 1.70 H new ATOM 0 HB3 PRO A 92 -16.544 -8.800 1.533 1.00 1.70 H new ATOM 0 HG2 PRO A 92 -16.324 -10.846 3.787 1.00 1.62 H new ATOM 0 HG3 PRO A 92 -17.502 -10.782 2.491 1.00 1.62 H new ATOM 0 HD2 PRO A 92 -15.344 -12.448 2.333 1.00 1.34 H new ATOM 0 HD3 PRO A 92 -16.003 -11.695 0.894 1.00 1.34 H new ATOM 1460 N LEU A 93 -13.028 -7.819 3.320 1.00 1.74 N ATOM 1461 CA LEU A 93 -12.093 -7.293 4.326 1.00 1.79 C ATOM 1462 C LEU A 93 -12.811 -6.283 5.236 1.00 1.85 C ATOM 1463 O LEU A 93 -12.821 -5.068 5.020 1.00 2.53 O ATOM 1464 CB LEU A 93 -10.808 -6.739 3.653 1.00 2.04 C ATOM 1465 CG LEU A 93 -10.918 -6.228 2.201 1.00 1.80 C ATOM 1466 CD1 LEU A 93 -11.910 -5.072 2.024 1.00 2.23 C ATOM 1467 CD2 LEU A 93 -9.558 -5.793 1.643 1.00 2.64 C ATOM 0 H LEU A 93 -13.175 -7.159 2.557 1.00 1.74 H new ATOM 0 HA LEU A 93 -11.754 -8.101 4.974 1.00 1.79 H new ATOM 0 HB2 LEU A 93 -10.434 -5.921 4.268 1.00 2.04 H new ATOM 0 HB3 LEU A 93 -10.053 -7.525 3.675 1.00 2.04 H new ATOM 0 HG LEU A 93 -11.296 -7.084 1.642 1.00 1.80 H new ATOM 0 HD11 LEU A 93 -11.932 -4.768 0.977 1.00 2.23 H new ATOM 0 HD12 LEU A 93 -12.905 -5.397 2.328 1.00 2.23 H new ATOM 0 HD13 LEU A 93 -11.599 -4.228 2.640 1.00 2.23 H new ATOM 0 HD21 LEU A 93 -9.681 -5.440 0.619 1.00 2.64 H new ATOM 0 HD22 LEU A 93 -9.153 -4.989 2.258 1.00 2.64 H new ATOM 0 HD23 LEU A 93 -8.872 -6.640 1.655 1.00 2.64 H new ATOM 1479 N LYS A 94 -13.464 -6.831 6.251 1.00 1.42 N ATOM 1480 CA LYS A 94 -14.242 -6.108 7.241 1.00 1.55 C ATOM 1481 C LYS A 94 -13.369 -5.620 8.397 1.00 1.25 C ATOM 1482 O LYS A 94 -12.224 -6.023 8.568 1.00 1.48 O ATOM 1483 CB LYS A 94 -15.346 -7.014 7.775 1.00 1.87 C ATOM 1484 CG LYS A 94 -16.383 -7.375 6.707 1.00 2.88 C ATOM 1485 CD LYS A 94 -17.165 -8.594 7.200 1.00 2.89 C ATOM 1486 CE LYS A 94 -16.784 -9.868 6.422 1.00 3.75 C ATOM 1487 NZ LYS A 94 -15.355 -10.244 6.568 1.00 3.90 N ATOM 0 H LYS A 94 -13.464 -7.838 6.412 1.00 1.42 H new ATOM 0 HA LYS A 94 -14.676 -5.232 6.760 1.00 1.55 H new ATOM 0 HB2 LYS A 94 -14.902 -7.929 8.168 1.00 1.87 H new ATOM 0 HB3 LYS A 94 -15.845 -6.519 8.608 1.00 1.87 H new ATOM 0 HG2 LYS A 94 -17.056 -6.536 6.531 1.00 2.88 H new ATOM 0 HG3 LYS A 94 -15.893 -7.595 5.759 1.00 2.88 H new ATOM 0 HD2 LYS A 94 -16.972 -8.745 8.262 1.00 2.89 H new ATOM 0 HD3 LYS A 94 -18.234 -8.408 7.093 1.00 2.89 H new ATOM 0 HE2 LYS A 94 -17.406 -10.694 6.766 1.00 3.75 H new ATOM 0 HE3 LYS A 94 -17.007 -9.720 5.365 1.00 3.75 H new ATOM 0 HZ1 LYS A 94 -15.137 -11.036 5.930 1.00 3.90 H new ATOM 0 HZ2 LYS A 94 -14.755 -9.429 6.326 1.00 3.90 H new ATOM 0 HZ3 LYS A 94 -15.170 -10.531 7.550 1.00 3.90 H new ATOM 1501 N ALA A 95 -13.965 -4.777 9.226 1.00 1.23 N ATOM 1502 CA ALA A 95 -13.281 -4.125 10.335 1.00 1.36 C ATOM 1503 C ALA A 95 -12.794 -5.138 11.383 1.00 1.30 C ATOM 1504 O ALA A 95 -13.610 -5.754 12.064 1.00 1.34 O ATOM 1505 CB ALA A 95 -14.219 -3.067 10.926 1.00 1.62 C ATOM 0 H ALA A 95 -14.950 -4.522 9.148 1.00 1.23 H new ATOM 0 HA ALA A 95 -12.378 -3.633 9.973 1.00 1.36 H new ATOM 0 HB1 ALA A 95 -13.725 -2.567 11.759 1.00 1.62 H new ATOM 0 HB2 ALA A 95 -14.469 -2.334 10.159 1.00 1.62 H new ATOM 0 HB3 ALA A 95 -15.131 -3.547 11.281 1.00 1.62 H new ATOM 1511 N GLY A 96 -11.471 -5.286 11.509 1.00 1.37 N ATOM 1512 CA GLY A 96 -10.788 -6.054 12.569 1.00 1.51 C ATOM 1513 C GLY A 96 -10.070 -7.348 12.148 1.00 1.49 C ATOM 1514 O GLY A 96 -9.499 -8.001 13.014 1.00 2.10 O ATOM 0 H GLY A 96 -10.817 -4.860 10.853 1.00 1.37 H new ATOM 0 HA2 GLY A 96 -10.056 -5.400 13.042 1.00 1.51 H new ATOM 0 HA3 GLY A 96 -11.526 -6.309 13.330 1.00 1.51 H new ATOM 1518 N GLU A 97 -10.095 -7.708 10.862 1.00 1.10 N ATOM 1519 CA GLU A 97 -9.653 -9.019 10.352 1.00 0.95 C ATOM 1520 C GLU A 97 -8.175 -9.051 9.922 1.00 0.76 C ATOM 1521 O GLU A 97 -7.477 -8.045 9.986 1.00 0.91 O ATOM 1522 CB GLU A 97 -10.544 -9.404 9.165 1.00 0.97 C ATOM 1523 CG GLU A 97 -12.030 -9.409 9.574 1.00 1.40 C ATOM 1524 CD GLU A 97 -12.994 -9.840 8.477 1.00 1.46 C ATOM 1525 OE1 GLU A 97 -12.921 -9.327 7.337 1.00 2.18 O ATOM 1526 OE2 GLU A 97 -13.955 -10.591 8.777 1.00 2.32 O ATOM 0 H GLU A 97 -10.430 -7.086 10.126 1.00 1.10 H new ATOM 0 HA GLU A 97 -9.745 -9.733 11.170 1.00 0.95 H new ATOM 0 HB2 GLU A 97 -10.390 -8.701 8.346 1.00 0.97 H new ATOM 0 HB3 GLU A 97 -10.260 -10.390 8.797 1.00 0.97 H new ATOM 0 HG2 GLU A 97 -12.154 -10.074 10.429 1.00 1.40 H new ATOM 0 HG3 GLU A 97 -12.304 -8.408 9.906 1.00 1.40 H new ATOM 1533 N GLU A 98 -7.708 -10.205 9.451 1.00 0.80 N ATOM 1534 CA GLU A 98 -6.291 -10.594 9.326 1.00 0.90 C ATOM 1535 C GLU A 98 -5.855 -10.874 7.870 1.00 0.78 C ATOM 1536 O GLU A 98 -5.708 -12.010 7.423 1.00 1.41 O ATOM 1537 CB GLU A 98 -5.961 -11.757 10.290 1.00 1.34 C ATOM 1538 CG GLU A 98 -6.795 -13.051 10.191 1.00 2.41 C ATOM 1539 CD GLU A 98 -8.190 -12.915 10.798 1.00 3.90 C ATOM 1540 OE1 GLU A 98 -9.103 -12.505 10.044 1.00 5.41 O ATOM 1541 OE2 GLU A 98 -8.324 -13.204 12.007 1.00 4.47 O ATOM 0 H GLU A 98 -8.337 -10.940 9.126 1.00 0.80 H new ATOM 0 HA GLU A 98 -5.693 -9.734 9.627 1.00 0.90 H new ATOM 0 HB2 GLU A 98 -4.915 -12.024 10.142 1.00 1.34 H new ATOM 0 HB3 GLU A 98 -6.053 -11.380 11.309 1.00 1.34 H new ATOM 0 HG2 GLU A 98 -6.888 -13.337 9.143 1.00 2.41 H new ATOM 0 HG3 GLU A 98 -6.263 -13.858 10.695 1.00 2.41 H new ATOM 1548 N VAL A 99 -5.629 -9.807 7.103 1.00 0.94 N ATOM 1549 CA VAL A 99 -5.429 -9.860 5.645 1.00 0.97 C ATOM 1550 C VAL A 99 -3.939 -9.906 5.270 1.00 0.89 C ATOM 1551 O VAL A 99 -3.157 -9.044 5.658 1.00 0.89 O ATOM 1552 CB VAL A 99 -6.149 -8.668 4.980 1.00 1.08 C ATOM 1553 CG1 VAL A 99 -5.841 -8.551 3.476 1.00 1.29 C ATOM 1554 CG2 VAL A 99 -7.674 -8.806 5.157 1.00 1.18 C ATOM 0 H VAL A 99 -5.578 -8.861 7.480 1.00 0.94 H new ATOM 0 HA VAL A 99 -5.865 -10.786 5.270 1.00 0.97 H new ATOM 0 HB VAL A 99 -5.780 -7.769 5.473 1.00 1.08 H new ATOM 0 HG11 VAL A 99 -6.374 -7.696 3.061 1.00 1.29 H new ATOM 0 HG12 VAL A 99 -4.769 -8.414 3.334 1.00 1.29 H new ATOM 0 HG13 VAL A 99 -6.162 -9.460 2.967 1.00 1.29 H new ATOM 0 HG21 VAL A 99 -8.173 -7.960 4.684 1.00 1.18 H new ATOM 0 HG22 VAL A 99 -8.012 -9.732 4.693 1.00 1.18 H new ATOM 0 HG23 VAL A 99 -7.917 -8.823 6.219 1.00 1.18 H new ATOM 1564 N GLU A 100 -3.555 -10.886 4.447 1.00 0.93 N ATOM 1565 CA GLU A 100 -2.202 -11.002 3.881 1.00 0.90 C ATOM 1566 C GLU A 100 -1.972 -10.044 2.701 1.00 0.86 C ATOM 1567 O GLU A 100 -2.768 -10.011 1.753 1.00 0.78 O ATOM 1568 CB GLU A 100 -1.958 -12.410 3.317 1.00 1.20 C ATOM 1569 CG GLU A 100 -1.530 -13.496 4.309 1.00 1.53 C ATOM 1570 CD GLU A 100 -0.882 -14.668 3.558 1.00 1.50 C ATOM 1571 OE1 GLU A 100 -1.285 -14.935 2.398 1.00 2.10 O ATOM 1572 OE2 GLU A 100 0.106 -15.220 4.089 1.00 2.43 O ATOM 0 H GLU A 100 -4.182 -11.633 4.149 1.00 0.93 H new ATOM 0 HA GLU A 100 -1.530 -10.766 4.706 1.00 0.90 H new ATOM 0 HB2 GLU A 100 -2.874 -12.741 2.827 1.00 1.20 H new ATOM 0 HB3 GLU A 100 -1.192 -12.337 2.545 1.00 1.20 H new ATOM 0 HG2 GLU A 100 -0.826 -13.083 5.032 1.00 1.53 H new ATOM 0 HG3 GLU A 100 -2.395 -13.848 4.871 1.00 1.53 H new ATOM 1579 N LEU A 101 -0.797 -9.396 2.691 1.00 0.94 N ATOM 1580 CA LEU A 101 -0.164 -8.864 1.478 1.00 0.80 C ATOM 1581 C LEU A 101 1.179 -9.558 1.184 1.00 0.81 C ATOM 1582 O LEU A 101 1.905 -9.989 2.082 1.00 0.98 O ATOM 1583 CB LEU A 101 0.033 -7.333 1.556 1.00 0.76 C ATOM 1584 CG LEU A 101 -1.100 -6.500 0.917 1.00 1.02 C ATOM 1585 CD1 LEU A 101 -2.386 -6.473 1.754 1.00 1.81 C ATOM 1586 CD2 LEU A 101 -0.624 -5.058 0.698 1.00 1.60 C ATOM 0 H LEU A 101 -0.254 -9.225 3.537 1.00 0.94 H new ATOM 0 HA LEU A 101 -0.846 -9.077 0.655 1.00 0.80 H new ATOM 0 HB2 LEU A 101 0.129 -7.046 2.603 1.00 0.76 H new ATOM 0 HB3 LEU A 101 0.973 -7.077 1.068 1.00 0.76 H new ATOM 0 HG LEU A 101 -1.339 -6.985 -0.030 1.00 1.02 H new ATOM 0 HD11 LEU A 101 -3.138 -5.870 1.245 1.00 1.81 H new ATOM 0 HD12 LEU A 101 -2.759 -7.489 1.880 1.00 1.81 H new ATOM 0 HD13 LEU A 101 -2.175 -6.040 2.732 1.00 1.81 H new ATOM 0 HD21 LEU A 101 -1.427 -4.474 0.247 1.00 1.60 H new ATOM 0 HD22 LEU A 101 -0.348 -4.616 1.656 1.00 1.60 H new ATOM 0 HD23 LEU A 101 0.242 -5.057 0.035 1.00 1.60 H new ATOM 1598 N ASP A 102 1.506 -9.593 -0.106 1.00 0.76 N ATOM 1599 CA ASP A 102 2.826 -9.796 -0.710 1.00 0.81 C ATOM 1600 C ASP A 102 3.331 -8.433 -1.214 1.00 0.87 C ATOM 1601 O ASP A 102 2.556 -7.675 -1.793 1.00 0.99 O ATOM 1602 CB ASP A 102 2.678 -10.672 -1.966 1.00 0.84 C ATOM 1603 CG ASP A 102 2.582 -12.180 -1.781 1.00 1.07 C ATOM 1604 OD1 ASP A 102 3.198 -12.729 -0.843 1.00 2.23 O ATOM 1605 OD2 ASP A 102 1.877 -12.807 -2.608 1.00 2.10 O ATOM 0 H ASP A 102 0.790 -9.469 -0.822 1.00 0.76 H new ATOM 0 HA ASP A 102 3.494 -10.251 0.021 1.00 0.81 H new ATOM 0 HB2 ASP A 102 1.785 -10.344 -2.498 1.00 0.84 H new ATOM 0 HB3 ASP A 102 3.529 -10.469 -2.616 1.00 0.84 H new ATOM 1610 N LEU A 103 4.621 -8.136 -1.084 1.00 0.85 N ATOM 1611 CA LEU A 103 5.269 -6.954 -1.655 1.00 0.80 C ATOM 1612 C LEU A 103 6.139 -7.390 -2.838 1.00 0.80 C ATOM 1613 O LEU A 103 6.927 -8.326 -2.699 1.00 0.87 O ATOM 1614 CB LEU A 103 6.133 -6.260 -0.586 1.00 0.80 C ATOM 1615 CG LEU A 103 5.367 -5.596 0.580 1.00 0.86 C ATOM 1616 CD1 LEU A 103 4.716 -6.597 1.543 1.00 0.88 C ATOM 1617 CD2 LEU A 103 6.361 -4.750 1.386 1.00 1.00 C ATOM 0 H LEU A 103 5.267 -8.729 -0.562 1.00 0.85 H new ATOM 0 HA LEU A 103 4.513 -6.248 -1.999 1.00 0.80 H new ATOM 0 HB2 LEU A 103 6.821 -6.996 -0.170 1.00 0.80 H new ATOM 0 HB3 LEU A 103 6.739 -5.498 -1.076 1.00 0.80 H new ATOM 0 HG LEU A 103 4.566 -5.005 0.136 1.00 0.86 H new ATOM 0 HD11 LEU A 103 4.197 -6.056 2.334 1.00 0.88 H new ATOM 0 HD12 LEU A 103 4.002 -7.215 0.998 1.00 0.88 H new ATOM 0 HD13 LEU A 103 5.485 -7.232 1.982 1.00 0.88 H new ATOM 0 HD21 LEU A 103 5.842 -4.271 2.216 1.00 1.00 H new ATOM 0 HD22 LEU A 103 7.153 -5.391 1.775 1.00 1.00 H new ATOM 0 HD23 LEU A 103 6.796 -3.987 0.741 1.00 1.00 H new ATOM 1629 N LEU A 104 6.015 -6.720 -3.988 1.00 0.76 N ATOM 1630 CA LEU A 104 6.797 -7.003 -5.191 1.00 0.77 C ATOM 1631 C LEU A 104 7.937 -5.986 -5.314 1.00 0.80 C ATOM 1632 O LEU A 104 7.720 -4.799 -5.585 1.00 0.75 O ATOM 1633 CB LEU A 104 5.870 -6.983 -6.424 1.00 0.74 C ATOM 1634 CG LEU A 104 4.702 -7.994 -6.414 1.00 0.73 C ATOM 1635 CD1 LEU A 104 3.935 -7.912 -7.742 1.00 0.71 C ATOM 1636 CD2 LEU A 104 5.155 -9.442 -6.186 1.00 0.80 C ATOM 0 H LEU A 104 5.355 -5.952 -4.109 1.00 0.76 H new ATOM 0 HA LEU A 104 7.244 -7.995 -5.126 1.00 0.77 H new ATOM 0 HB2 LEU A 104 5.455 -5.980 -6.524 1.00 0.74 H new ATOM 0 HB3 LEU A 104 6.476 -7.168 -7.311 1.00 0.74 H new ATOM 0 HG LEU A 104 4.062 -7.720 -5.576 1.00 0.73 H new ATOM 0 HD11 LEU A 104 3.112 -8.626 -7.731 1.00 0.71 H new ATOM 0 HD12 LEU A 104 3.540 -6.905 -7.872 1.00 0.71 H new ATOM 0 HD13 LEU A 104 4.609 -8.147 -8.566 1.00 0.71 H new ATOM 0 HD21 LEU A 104 4.286 -10.100 -6.190 1.00 0.80 H new ATOM 0 HD22 LEU A 104 5.839 -9.739 -6.981 1.00 0.80 H new ATOM 0 HD23 LEU A 104 5.662 -9.517 -5.224 1.00 0.80 H new ATOM 1648 N PHE A 105 9.173 -6.451 -5.134 1.00 0.89 N ATOM 1649 CA PHE A 105 10.399 -5.672 -5.310 1.00 0.82 C ATOM 1650 C PHE A 105 11.027 -5.945 -6.681 1.00 0.84 C ATOM 1651 O PHE A 105 11.042 -7.082 -7.162 1.00 1.02 O ATOM 1652 CB PHE A 105 11.368 -5.992 -4.169 1.00 0.81 C ATOM 1653 CG PHE A 105 10.862 -5.524 -2.821 1.00 0.82 C ATOM 1654 CD1 PHE A 105 10.971 -4.165 -2.471 1.00 1.96 C ATOM 1655 CD2 PHE A 105 10.247 -6.428 -1.934 1.00 1.92 C ATOM 1656 CE1 PHE A 105 10.476 -3.714 -1.236 1.00 2.03 C ATOM 1657 CE2 PHE A 105 9.763 -5.975 -0.696 1.00 1.86 C ATOM 1658 CZ PHE A 105 9.878 -4.620 -0.344 1.00 0.88 C ATOM 0 H PHE A 105 9.355 -7.414 -4.852 1.00 0.89 H new ATOM 0 HA PHE A 105 10.162 -4.609 -5.277 1.00 0.82 H new ATOM 0 HB2 PHE A 105 11.539 -7.068 -4.134 1.00 0.81 H new ATOM 0 HB3 PHE A 105 12.330 -5.523 -4.374 1.00 0.81 H new ATOM 0 HD1 PHE A 105 11.436 -3.468 -3.153 1.00 1.96 H new ATOM 0 HD2 PHE A 105 10.148 -7.469 -2.205 1.00 1.92 H new ATOM 0 HE1 PHE A 105 10.555 -2.670 -0.972 1.00 2.03 H new ATOM 0 HE2 PHE A 105 9.301 -6.671 -0.012 1.00 1.86 H new ATOM 0 HZ PHE A 105 9.508 -4.275 0.610 1.00 0.88 H new ATOM 1668 N ALA A 106 11.560 -4.882 -7.296 1.00 0.79 N ATOM 1669 CA ALA A 106 12.076 -4.856 -8.665 1.00 0.83 C ATOM 1670 C ALA A 106 12.985 -6.055 -8.980 1.00 1.12 C ATOM 1671 O ALA A 106 13.951 -6.335 -8.263 1.00 1.68 O ATOM 1672 CB ALA A 106 12.808 -3.525 -8.890 1.00 1.14 C ATOM 0 H ALA A 106 11.646 -3.979 -6.830 1.00 0.79 H new ATOM 0 HA ALA A 106 11.234 -4.937 -9.352 1.00 0.83 H new ATOM 0 HB1 ALA A 106 13.198 -3.492 -9.907 1.00 1.14 H new ATOM 0 HB2 ALA A 106 12.114 -2.698 -8.740 1.00 1.14 H new ATOM 0 HB3 ALA A 106 13.632 -3.439 -8.182 1.00 1.14 H new ATOM 1678 N GLY A 107 12.668 -6.788 -10.054 1.00 1.56 N ATOM 1679 CA GLY A 107 13.374 -8.019 -10.433 1.00 2.20 C ATOM 1680 C GLY A 107 12.879 -9.273 -9.702 1.00 1.97 C ATOM 1681 O GLY A 107 13.686 -10.146 -9.404 1.00 2.61 O ATOM 0 H GLY A 107 11.909 -6.542 -10.689 1.00 1.56 H new ATOM 0 HA2 GLY A 107 13.267 -8.171 -11.507 1.00 2.20 H new ATOM 0 HA3 GLY A 107 14.438 -7.891 -10.234 1.00 2.20 H new ATOM 1685 N GLY A 108 11.578 -9.356 -9.390 1.00 1.90 N ATOM 1686 CA GLY A 108 10.889 -10.608 -9.036 1.00 2.43 C ATOM 1687 C GLY A 108 11.006 -11.067 -7.579 1.00 2.23 C ATOM 1688 O GLY A 108 10.691 -12.216 -7.282 1.00 2.93 O ATOM 0 H GLY A 108 10.963 -8.542 -9.376 1.00 1.90 H new ATOM 0 HA2 GLY A 108 9.831 -10.494 -9.273 1.00 2.43 H new ATOM 0 HA3 GLY A 108 11.275 -11.402 -9.675 1.00 2.43 H new ATOM 1692 N LYS A 109 11.455 -10.216 -6.654 1.00 1.43 N ATOM 1693 CA LYS A 109 11.599 -10.586 -5.237 1.00 1.22 C ATOM 1694 C LYS A 109 10.309 -10.318 -4.455 1.00 1.23 C ATOM 1695 O LYS A 109 9.850 -9.177 -4.435 1.00 1.40 O ATOM 1696 CB LYS A 109 12.793 -9.829 -4.639 1.00 1.05 C ATOM 1697 CG LYS A 109 14.107 -10.526 -5.023 1.00 1.39 C ATOM 1698 CD LYS A 109 15.233 -9.541 -5.359 1.00 1.72 C ATOM 1699 CE LYS A 109 14.911 -8.841 -6.687 1.00 3.11 C ATOM 1700 NZ LYS A 109 15.925 -7.831 -7.067 1.00 3.42 N ATOM 0 H LYS A 109 11.729 -9.255 -6.860 1.00 1.43 H new ATOM 0 HA LYS A 109 11.788 -11.657 -5.164 1.00 1.22 H new ATOM 0 HB2 LYS A 109 12.799 -8.801 -5.000 1.00 1.05 H new ATOM 0 HB3 LYS A 109 12.699 -9.785 -3.554 1.00 1.05 H new ATOM 0 HG2 LYS A 109 14.426 -11.166 -4.201 1.00 1.39 H new ATOM 0 HG3 LYS A 109 13.931 -11.174 -5.882 1.00 1.39 H new ATOM 0 HD2 LYS A 109 15.338 -8.805 -4.562 1.00 1.72 H new ATOM 0 HD3 LYS A 109 16.184 -10.069 -5.433 1.00 1.72 H new ATOM 0 HE2 LYS A 109 14.836 -9.588 -7.477 1.00 3.11 H new ATOM 0 HE3 LYS A 109 13.936 -8.359 -6.611 1.00 3.11 H new ATOM 0 HZ1 LYS A 109 15.466 -7.058 -7.590 1.00 3.42 H new ATOM 0 HZ2 LYS A 109 16.374 -7.450 -6.210 1.00 3.42 H new ATOM 0 HZ3 LYS A 109 16.648 -8.274 -7.669 1.00 3.42 H new ATOM 1714 N VAL A 110 9.772 -11.351 -3.804 1.00 1.22 N ATOM 1715 CA VAL A 110 8.468 -11.300 -3.133 1.00 1.20 C ATOM 1716 C VAL A 110 8.611 -11.488 -1.620 1.00 1.22 C ATOM 1717 O VAL A 110 9.268 -12.433 -1.182 1.00 1.45 O ATOM 1718 CB VAL A 110 7.480 -12.344 -3.710 1.00 1.30 C ATOM 1719 CG1 VAL A 110 6.059 -12.132 -3.154 1.00 2.53 C ATOM 1720 CG2 VAL A 110 7.430 -12.288 -5.247 1.00 1.42 C ATOM 0 H VAL A 110 10.234 -12.257 -3.726 1.00 1.22 H new ATOM 0 HA VAL A 110 8.057 -10.308 -3.322 1.00 1.20 H new ATOM 0 HB VAL A 110 7.846 -13.324 -3.403 1.00 1.30 H new ATOM 0 HG11 VAL A 110 5.388 -12.879 -3.577 1.00 2.53 H new ATOM 0 HG12 VAL A 110 6.075 -12.231 -2.069 1.00 2.53 H new ATOM 0 HG13 VAL A 110 5.708 -11.136 -3.423 1.00 2.53 H new ATOM 0 HG21 VAL A 110 6.726 -13.035 -5.616 1.00 1.42 H new ATOM 0 HG22 VAL A 110 7.107 -11.297 -5.565 1.00 1.42 H new ATOM 0 HG23 VAL A 110 8.421 -12.493 -5.651 1.00 1.42 H new ATOM 1730 N LEU A 111 7.975 -10.607 -0.839 1.00 1.09 N ATOM 1731 CA LEU A 111 7.939 -10.651 0.631 1.00 1.13 C ATOM 1732 C LEU A 111 6.493 -10.656 1.148 1.00 1.09 C ATOM 1733 O LEU A 111 5.755 -9.708 0.912 1.00 1.36 O ATOM 1734 CB LEU A 111 8.707 -9.422 1.166 1.00 1.27 C ATOM 1735 CG LEU A 111 8.646 -9.202 2.695 1.00 1.81 C ATOM 1736 CD1 LEU A 111 9.258 -10.377 3.472 1.00 2.41 C ATOM 1737 CD2 LEU A 111 9.378 -7.904 3.060 1.00 2.14 C ATOM 0 H LEU A 111 7.454 -9.818 -1.223 1.00 1.09 H new ATOM 0 HA LEU A 111 8.408 -11.569 0.984 1.00 1.13 H new ATOM 0 HB2 LEU A 111 9.753 -9.515 0.873 1.00 1.27 H new ATOM 0 HB3 LEU A 111 8.316 -8.531 0.674 1.00 1.27 H new ATOM 0 HG LEU A 111 7.595 -9.132 2.977 1.00 1.81 H new ATOM 0 HD11 LEU A 111 9.193 -10.179 4.542 1.00 2.41 H new ATOM 0 HD12 LEU A 111 8.712 -11.291 3.239 1.00 2.41 H new ATOM 0 HD13 LEU A 111 10.304 -10.496 3.188 1.00 2.41 H new ATOM 0 HD21 LEU A 111 9.333 -7.752 4.138 1.00 2.14 H new ATOM 0 HD22 LEU A 111 10.420 -7.973 2.746 1.00 2.14 H new ATOM 0 HD23 LEU A 111 8.902 -7.063 2.555 1.00 2.14 H new ATOM 1749 N LYS A 112 6.103 -11.662 1.932 1.00 1.03 N ATOM 1750 CA LYS A 112 4.808 -11.675 2.619 1.00 1.12 C ATOM 1751 C LYS A 112 4.810 -10.796 3.893 1.00 1.04 C ATOM 1752 O LYS A 112 5.824 -10.711 4.596 1.00 1.26 O ATOM 1753 CB LYS A 112 4.475 -13.148 2.940 1.00 1.54 C ATOM 1754 CG LYS A 112 3.037 -13.393 3.428 1.00 2.06 C ATOM 1755 CD LYS A 112 1.961 -13.205 2.347 1.00 2.32 C ATOM 1756 CE LYS A 112 1.612 -14.511 1.623 1.00 1.93 C ATOM 1757 NZ LYS A 112 2.639 -14.918 0.648 1.00 2.16 N ATOM 0 H LYS A 112 6.673 -12.489 2.109 1.00 1.03 H new ATOM 0 HA LYS A 112 4.042 -11.243 1.975 1.00 1.12 H new ATOM 0 HB2 LYS A 112 4.648 -13.748 2.046 1.00 1.54 H new ATOM 0 HB3 LYS A 112 5.168 -13.505 3.702 1.00 1.54 H new ATOM 0 HG2 LYS A 112 2.967 -14.407 3.821 1.00 2.06 H new ATOM 0 HG3 LYS A 112 2.826 -12.715 4.255 1.00 2.06 H new ATOM 0 HD2 LYS A 112 1.060 -12.797 2.805 1.00 2.32 H new ATOM 0 HD3 LYS A 112 2.308 -12.473 1.618 1.00 2.32 H new ATOM 0 HE2 LYS A 112 1.482 -15.305 2.359 1.00 1.93 H new ATOM 0 HE3 LYS A 112 0.658 -14.392 1.110 1.00 1.93 H new ATOM 0 HZ1 LYS A 112 2.199 -15.488 -0.103 1.00 2.16 H new ATOM 0 HZ2 LYS A 112 3.075 -14.072 0.230 1.00 2.16 H new ATOM 0 HZ3 LYS A 112 3.369 -15.482 1.128 1.00 2.16 H new ATOM 1771 N VAL A 113 3.662 -10.206 4.245 1.00 1.02 N ATOM 1772 CA VAL A 113 3.361 -9.627 5.576 1.00 1.06 C ATOM 1773 C VAL A 113 1.867 -9.814 5.885 1.00 1.02 C ATOM 1774 O VAL A 113 1.057 -9.949 4.971 1.00 1.04 O ATOM 1775 CB VAL A 113 3.717 -8.118 5.701 1.00 1.16 C ATOM 1776 CG1 VAL A 113 3.900 -7.690 7.174 1.00 2.26 C ATOM 1777 CG2 VAL A 113 5.002 -7.700 4.967 1.00 1.87 C ATOM 0 H VAL A 113 2.883 -10.111 3.593 1.00 1.02 H new ATOM 0 HA VAL A 113 3.988 -10.159 6.292 1.00 1.06 H new ATOM 0 HB VAL A 113 2.865 -7.623 5.236 1.00 1.16 H new ATOM 0 HG11 VAL A 113 4.148 -6.629 7.217 1.00 2.26 H new ATOM 0 HG12 VAL A 113 2.975 -7.869 7.722 1.00 2.26 H new ATOM 0 HG13 VAL A 113 4.706 -8.269 7.624 1.00 2.26 H new ATOM 0 HG21 VAL A 113 5.171 -6.633 5.109 1.00 1.87 H new ATOM 0 HG22 VAL A 113 5.848 -8.258 5.368 1.00 1.87 H new ATOM 0 HG23 VAL A 113 4.899 -7.913 3.903 1.00 1.87 H new ATOM 1787 N VAL A 114 1.507 -9.785 7.169 1.00 1.07 N ATOM 1788 CA VAL A 114 0.118 -9.815 7.661 1.00 1.07 C ATOM 1789 C VAL A 114 -0.291 -8.416 8.141 1.00 1.02 C ATOM 1790 O VAL A 114 0.490 -7.729 8.803 1.00 1.22 O ATOM 1791 CB VAL A 114 -0.066 -10.849 8.799 1.00 1.38 C ATOM 1792 CG1 VAL A 114 -1.506 -10.862 9.346 1.00 2.01 C ATOM 1793 CG2 VAL A 114 0.294 -12.265 8.311 1.00 1.48 C ATOM 0 H VAL A 114 2.192 -9.739 7.924 1.00 1.07 H new ATOM 0 HA VAL A 114 -0.526 -10.120 6.836 1.00 1.07 H new ATOM 0 HB VAL A 114 0.606 -10.549 9.603 1.00 1.38 H new ATOM 0 HG11 VAL A 114 -1.586 -11.602 10.142 1.00 2.01 H new ATOM 0 HG12 VAL A 114 -1.754 -9.877 9.741 1.00 2.01 H new ATOM 0 HG13 VAL A 114 -2.198 -11.116 8.543 1.00 2.01 H new ATOM 0 HG21 VAL A 114 0.158 -12.976 9.126 1.00 1.48 H new ATOM 0 HG22 VAL A 114 -0.354 -12.539 7.478 1.00 1.48 H new ATOM 0 HG23 VAL A 114 1.333 -12.284 7.983 1.00 1.48 H new ATOM 1803 N LEU A 115 -1.509 -8.000 7.787 1.00 0.92 N ATOM 1804 CA LEU A 115 -2.095 -6.698 8.100 1.00 0.99 C ATOM 1805 C LEU A 115 -3.455 -6.867 8.818 1.00 0.91 C ATOM 1806 O LEU A 115 -4.329 -7.571 8.299 1.00 1.03 O ATOM 1807 CB LEU A 115 -2.327 -5.905 6.811 1.00 1.28 C ATOM 1808 CG LEU A 115 -1.057 -5.371 6.118 1.00 1.09 C ATOM 1809 CD1 LEU A 115 -0.278 -6.425 5.318 1.00 2.04 C ATOM 1810 CD2 LEU A 115 -1.523 -4.266 5.172 1.00 2.73 C ATOM 0 H LEU A 115 -2.142 -8.591 7.249 1.00 0.92 H new ATOM 0 HA LEU A 115 -1.401 -6.167 8.752 1.00 0.99 H new ATOM 0 HB2 LEU A 115 -2.863 -6.541 6.106 1.00 1.28 H new ATOM 0 HB3 LEU A 115 -2.978 -5.060 7.038 1.00 1.28 H new ATOM 0 HG LEU A 115 -0.366 -5.027 6.887 1.00 1.09 H new ATOM 0 HD11 LEU A 115 0.599 -5.963 4.865 1.00 2.04 H new ATOM 0 HD12 LEU A 115 0.038 -7.227 5.985 1.00 2.04 H new ATOM 0 HD13 LEU A 115 -0.918 -6.834 4.536 1.00 2.04 H new ATOM 0 HD21 LEU A 115 -0.663 -3.847 4.650 1.00 2.73 H new ATOM 0 HD22 LEU A 115 -2.222 -4.680 4.445 1.00 2.73 H new ATOM 0 HD23 LEU A 115 -2.017 -3.481 5.745 1.00 2.73 H new ATOM 1822 N PRO A 116 -3.689 -6.180 9.951 1.00 0.82 N ATOM 1823 CA PRO A 116 -5.026 -6.030 10.498 1.00 0.90 C ATOM 1824 C PRO A 116 -5.860 -5.112 9.592 1.00 0.95 C ATOM 1825 O PRO A 116 -5.381 -4.071 9.146 1.00 1.22 O ATOM 1826 CB PRO A 116 -4.837 -5.435 11.897 1.00 0.90 C ATOM 1827 CG PRO A 116 -3.539 -4.638 11.766 1.00 0.79 C ATOM 1828 CD PRO A 116 -2.722 -5.469 10.776 1.00 0.76 C ATOM 0 HA PRO A 116 -5.563 -6.977 10.555 1.00 0.90 H new ATOM 0 HB2 PRO A 116 -5.674 -4.797 12.180 1.00 0.90 H new ATOM 0 HB3 PRO A 116 -4.757 -6.212 12.657 1.00 0.90 H new ATOM 0 HG2 PRO A 116 -3.721 -3.630 11.393 1.00 0.79 H new ATOM 0 HG3 PRO A 116 -3.030 -4.536 12.724 1.00 0.79 H new ATOM 0 HD2 PRO A 116 -2.083 -4.831 10.165 1.00 0.76 H new ATOM 0 HD3 PRO A 116 -2.068 -6.167 11.299 1.00 0.76 H new ATOM 1836 N VAL A 117 -7.126 -5.435 9.349 1.00 0.82 N ATOM 1837 CA VAL A 117 -8.093 -4.462 8.832 1.00 0.93 C ATOM 1838 C VAL A 117 -8.548 -3.558 9.997 1.00 0.98 C ATOM 1839 O VAL A 117 -8.712 -4.034 11.121 1.00 1.13 O ATOM 1840 CB VAL A 117 -9.305 -5.148 8.175 1.00 1.09 C ATOM 1841 CG1 VAL A 117 -10.117 -4.126 7.368 1.00 1.19 C ATOM 1842 CG2 VAL A 117 -8.965 -6.310 7.227 1.00 1.10 C ATOM 0 H VAL A 117 -7.512 -6.367 9.501 1.00 0.82 H new ATOM 0 HA VAL A 117 -7.612 -3.866 8.056 1.00 0.93 H new ATOM 0 HB VAL A 117 -9.865 -5.564 9.012 1.00 1.09 H new ATOM 0 HG11 VAL A 117 -10.972 -4.622 6.908 1.00 1.19 H new ATOM 0 HG12 VAL A 117 -10.470 -3.336 8.031 1.00 1.19 H new ATOM 0 HG13 VAL A 117 -9.487 -3.693 6.591 1.00 1.19 H new ATOM 0 HG21 VAL A 117 -9.885 -6.726 6.816 1.00 1.10 H new ATOM 0 HG22 VAL A 117 -8.337 -5.945 6.414 1.00 1.10 H new ATOM 0 HG23 VAL A 117 -8.431 -7.085 7.778 1.00 1.10 H new ATOM 1852 N GLU A 118 -8.733 -2.259 9.742 1.00 1.05 N ATOM 1853 CA GLU A 118 -9.118 -1.228 10.726 1.00 1.08 C ATOM 1854 C GLU A 118 -10.609 -0.847 10.663 1.00 1.53 C ATOM 1855 O GLU A 118 -11.406 -1.499 9.997 1.00 2.56 O ATOM 1856 CB GLU A 118 -8.172 -0.008 10.657 1.00 1.63 C ATOM 1857 CG GLU A 118 -7.659 0.460 9.291 1.00 3.86 C ATOM 1858 CD GLU A 118 -8.664 1.055 8.304 1.00 5.45 C ATOM 1859 OE1 GLU A 118 -9.754 0.493 8.072 1.00 5.75 O ATOM 1860 OE2 GLU A 118 -8.299 2.070 7.664 1.00 6.96 O ATOM 0 H GLU A 118 -8.615 -1.875 8.805 1.00 1.05 H new ATOM 0 HA GLU A 118 -8.993 -1.672 11.713 1.00 1.08 H new ATOM 0 HB2 GLU A 118 -8.687 0.834 11.121 1.00 1.63 H new ATOM 0 HB3 GLU A 118 -7.303 -0.231 11.276 1.00 1.63 H new ATOM 0 HG2 GLU A 118 -6.883 1.205 9.465 1.00 3.86 H new ATOM 0 HG3 GLU A 118 -7.181 -0.391 8.806 1.00 3.86 H new ATOM 1867 N ALA A 119 -11.011 0.162 11.439 1.00 1.60 N ATOM 1868 CA ALA A 119 -12.297 0.841 11.313 1.00 2.06 C ATOM 1869 C ALA A 119 -12.091 2.359 11.179 1.00 2.31 C ATOM 1870 O ALA A 119 -11.095 2.899 11.667 1.00 2.46 O ATOM 1871 CB ALA A 119 -13.181 0.486 12.512 1.00 2.51 C ATOM 0 H ALA A 119 -10.434 0.537 12.192 1.00 1.60 H new ATOM 0 HA ALA A 119 -12.803 0.505 10.408 1.00 2.06 H new ATOM 0 HB1 ALA A 119 -14.142 0.993 12.419 1.00 2.51 H new ATOM 0 HB2 ALA A 119 -13.341 -0.592 12.540 1.00 2.51 H new ATOM 0 HB3 ALA A 119 -12.691 0.804 13.432 1.00 2.51 H new ATOM 1877 N ARG A 120 -13.037 3.011 10.494 1.00 3.06 N ATOM 1878 CA ARG A 120 -13.022 4.376 9.935 1.00 3.34 C ATOM 1879 C ARG A 120 -14.231 4.577 9.014 1.00 4.38 C ATOM 1880 O ARG A 120 -14.229 5.565 8.246 1.00 4.82 O ATOM 1881 CB ARG A 120 -11.670 4.694 9.242 1.00 3.18 C ATOM 1882 CG ARG A 120 -11.032 3.608 8.348 1.00 3.77 C ATOM 1883 CD ARG A 120 -11.935 2.842 7.367 1.00 5.47 C ATOM 1884 NE ARG A 120 -12.796 3.754 6.597 1.00 6.42 N ATOM 1885 CZ ARG A 120 -13.908 3.406 5.992 1.00 7.86 C ATOM 1886 NH1 ARG A 120 -14.124 2.232 5.467 1.00 8.82 N ATOM 1887 NH2 ARG A 120 -14.864 4.276 5.922 1.00 8.82 N ATOM 1888 OXT ARG A 120 -15.038 3.630 8.897 1.00 5.38 O ATOM 0 H ARG A 120 -13.926 2.552 10.295 1.00 3.06 H new ATOM 0 HA ARG A 120 -13.110 5.095 10.750 1.00 3.34 H new ATOM 0 HB2 ARG A 120 -11.811 5.586 8.632 1.00 3.18 H new ATOM 0 HB3 ARG A 120 -10.950 4.950 10.019 1.00 3.18 H new ATOM 0 HG2 ARG A 120 -10.238 4.080 7.769 1.00 3.77 H new ATOM 0 HG3 ARG A 120 -10.558 2.877 9.002 1.00 3.77 H new ATOM 0 HD2 ARG A 120 -11.318 2.259 6.683 1.00 5.47 H new ATOM 0 HD3 ARG A 120 -12.555 2.135 7.918 1.00 5.47 H new ATOM 0 HE ARG A 120 -12.507 4.730 6.528 1.00 6.42 H new ATOM 0 HH11 ARG A 120 -13.402 1.513 5.512 1.00 8.82 H new ATOM 0 HH12 ARG A 120 -15.015 2.033 5.012 1.00 8.82 H new ATOM 0 HH21 ARG A 120 -14.741 5.202 6.331 1.00 8.82 H new ATOM 0 HH22 ARG A 120 -15.740 4.035 5.458 1.00 8.82 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -5.982 4.990 -4.470 1.00 0.55 CU