USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 776 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 THR OG1 : rot 180:sc= 0.00489 USER MOD Set 1.2: A 101 HIS : no HE2:sc= 1.05 K(o=1.1,f=-3.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.24) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 151:sc= 1.21 (180deg=0.455) USER MOD Single : A 61 HIS : no HD1:sc= -0.071 X(o=-0.071,f=0) USER MOD Single : A 62 SER OG : rot 140:sc= -0.855 USER MOD Single : A 63 MET CE :methyl -177:sc= 0 (180deg=-0.00522) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -173:sc= 1.04 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.13) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 150:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -82:sc= 1.1 USER MOD Single : A 90 ASN : amide:sc= 0.213 K(o=0.21,f=-3.8!) USER MOD Single : A 91 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.22) USER MOD Single : A 92 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.5) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -17:sc= 0.293 USER MOD Single : A 106 THR OG1 : rot 4:sc= 1.52 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -157:sc= 1.27 USER MOD Single : A 110 GLN : amide:sc= -0.048 X(o=-0.048,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 27 N ALA A 3 16.518 -3.228 10.186 1.00 1.31 N ATOM 28 CA ALA A 3 15.367 -3.769 9.466 1.00 1.30 C ATOM 29 C ALA A 3 14.024 -3.470 10.158 1.00 1.16 C ATOM 30 O ALA A 3 13.029 -3.211 9.485 1.00 1.19 O ATOM 31 CB ALA A 3 15.586 -5.280 9.324 1.00 1.51 C ATOM 0 HA ALA A 3 15.300 -3.286 8.491 1.00 1.30 H new ATOM 0 HB1 ALA A 3 14.744 -5.721 8.790 1.00 1.51 H new ATOM 0 HB2 ALA A 3 16.505 -5.464 8.768 1.00 1.51 H new ATOM 0 HB3 ALA A 3 15.664 -5.731 10.313 1.00 1.51 H new ATOM 37 N LEU A 4 14.003 -3.416 11.497 1.00 1.12 N ATOM 38 CA LEU A 4 12.810 -3.052 12.270 1.00 1.06 C ATOM 39 C LEU A 4 12.376 -1.594 12.025 1.00 0.99 C ATOM 40 O LEU A 4 11.191 -1.278 12.146 1.00 1.01 O ATOM 41 CB LEU A 4 13.083 -3.331 13.759 1.00 1.21 C ATOM 42 CG LEU A 4 11.911 -3.012 14.702 1.00 1.17 C ATOM 43 CD1 LEU A 4 10.701 -3.881 14.410 1.00 1.40 C ATOM 44 CD2 LEU A 4 12.325 -3.227 16.145 1.00 1.63 C ATOM 0 H LEU A 4 14.817 -3.625 12.076 1.00 1.12 H new ATOM 0 HA LEU A 4 11.972 -3.664 11.937 1.00 1.06 H new ATOM 0 HB2 LEU A 4 13.348 -4.382 13.874 1.00 1.21 H new ATOM 0 HB3 LEU A 4 13.950 -2.748 14.070 1.00 1.21 H new ATOM 0 HG LEU A 4 11.642 -1.969 14.537 1.00 1.17 H new ATOM 0 HD11 LEU A 4 9.895 -3.625 15.097 1.00 1.40 H new ATOM 0 HD12 LEU A 4 10.371 -3.713 13.385 1.00 1.40 H new ATOM 0 HD13 LEU A 4 10.967 -4.930 14.538 1.00 1.40 H new ATOM 0 HD21 LEU A 4 11.486 -2.998 16.802 1.00 1.63 H new ATOM 0 HD22 LEU A 4 12.624 -4.266 16.287 1.00 1.63 H new ATOM 0 HD23 LEU A 4 13.163 -2.572 16.384 1.00 1.63 H new ATOM 56 N ALA A 5 13.311 -0.699 11.688 1.00 1.07 N ATOM 57 CA ALA A 5 12.965 0.628 11.173 1.00 1.14 C ATOM 58 C ALA A 5 12.469 0.539 9.716 1.00 1.16 C ATOM 59 O ALA A 5 11.422 1.090 9.381 1.00 1.42 O ATOM 60 CB ALA A 5 14.177 1.557 11.305 1.00 1.35 C ATOM 0 H ALA A 5 14.314 -0.871 11.763 1.00 1.07 H new ATOM 0 HA ALA A 5 12.147 1.043 11.762 1.00 1.14 H new ATOM 0 HB1 ALA A 5 13.921 2.545 10.922 1.00 1.35 H new ATOM 0 HB2 ALA A 5 14.462 1.637 12.354 1.00 1.35 H new ATOM 0 HB3 ALA A 5 15.011 1.151 10.733 1.00 1.35 H new ATOM 66 N LYS A 6 13.204 -0.194 8.859 1.00 1.04 N ATOM 67 CA LYS A 6 13.022 -0.231 7.396 1.00 1.11 C ATOM 68 C LYS A 6 11.578 -0.450 6.934 1.00 1.14 C ATOM 69 O LYS A 6 11.145 0.246 6.021 1.00 1.20 O ATOM 70 CB LYS A 6 13.963 -1.294 6.792 1.00 1.21 C ATOM 71 CG LYS A 6 14.097 -1.266 5.261 1.00 1.46 C ATOM 72 CD LYS A 6 14.567 0.087 4.717 1.00 1.57 C ATOM 73 CE LYS A 6 14.880 -0.005 3.221 1.00 1.89 C ATOM 74 NZ LYS A 6 15.059 1.344 2.644 1.00 3.46 N ATOM 0 H LYS A 6 13.965 -0.795 9.176 1.00 1.04 H new ATOM 0 HA LYS A 6 13.280 0.762 7.028 1.00 1.11 H new ATOM 0 HB2 LYS A 6 14.954 -1.167 7.228 1.00 1.21 H new ATOM 0 HB3 LYS A 6 13.607 -2.280 7.090 1.00 1.21 H new ATOM 0 HG2 LYS A 6 14.801 -2.038 4.951 1.00 1.46 H new ATOM 0 HG3 LYS A 6 13.134 -1.514 4.815 1.00 1.46 H new ATOM 0 HD2 LYS A 6 13.796 0.839 4.886 1.00 1.57 H new ATOM 0 HD3 LYS A 6 15.455 0.413 5.259 1.00 1.57 H new ATOM 0 HE2 LYS A 6 15.784 -0.595 3.068 1.00 1.89 H new ATOM 0 HE3 LYS A 6 14.071 -0.523 2.706 1.00 1.89 H new ATOM 0 HZ1 LYS A 6 15.271 1.262 1.629 1.00 3.46 H new ATOM 0 HZ2 LYS A 6 14.186 1.895 2.772 1.00 3.46 H new ATOM 0 HZ3 LYS A 6 15.846 1.825 3.124 1.00 3.46 H new ATOM 88 N LEU A 7 10.820 -1.343 7.580 1.00 1.18 N ATOM 89 CA LEU A 7 9.394 -1.569 7.273 1.00 1.30 C ATOM 90 C LEU A 7 8.579 -0.257 7.311 1.00 1.39 C ATOM 91 O LEU A 7 7.805 0.013 6.398 1.00 1.57 O ATOM 92 CB LEU A 7 8.791 -2.595 8.263 1.00 1.32 C ATOM 93 CG LEU A 7 8.972 -4.100 7.970 1.00 1.31 C ATOM 94 CD1 LEU A 7 8.303 -4.536 6.668 1.00 1.51 C ATOM 95 CD2 LEU A 7 10.430 -4.543 7.938 1.00 1.18 C ATOM 0 H LEU A 7 11.174 -1.933 8.333 1.00 1.18 H new ATOM 0 HA LEU A 7 9.337 -1.964 6.259 1.00 1.30 H new ATOM 0 HB2 LEU A 7 9.217 -2.396 9.246 1.00 1.32 H new ATOM 0 HB3 LEU A 7 7.721 -2.398 8.333 1.00 1.32 H new ATOM 0 HG LEU A 7 8.479 -4.590 8.810 1.00 1.31 H new ATOM 0 HD11 LEU A 7 8.464 -5.603 6.516 1.00 1.51 H new ATOM 0 HD12 LEU A 7 7.233 -4.335 6.724 1.00 1.51 H new ATOM 0 HD13 LEU A 7 8.734 -3.981 5.834 1.00 1.51 H new ATOM 0 HD21 LEU A 7 10.481 -5.611 7.727 1.00 1.18 H new ATOM 0 HD22 LEU A 7 10.960 -3.994 7.160 1.00 1.18 H new ATOM 0 HD23 LEU A 7 10.893 -4.341 8.904 1.00 1.18 H new ATOM 107 N ILE A 8 8.778 0.578 8.336 1.00 1.33 N ATOM 108 CA ILE A 8 8.152 1.906 8.466 1.00 1.40 C ATOM 109 C ILE A 8 8.752 2.937 7.497 1.00 1.25 C ATOM 110 O ILE A 8 8.046 3.845 7.049 1.00 1.22 O ATOM 111 CB ILE A 8 8.221 2.367 9.943 1.00 1.53 C ATOM 112 CG1 ILE A 8 7.394 1.441 10.865 1.00 1.79 C ATOM 113 CG2 ILE A 8 7.787 3.829 10.143 1.00 1.56 C ATOM 114 CD1 ILE A 8 5.888 1.347 10.555 1.00 2.01 C ATOM 0 H ILE A 8 9.392 0.348 9.118 1.00 1.33 H new ATOM 0 HA ILE A 8 7.104 1.824 8.179 1.00 1.40 H new ATOM 0 HB ILE A 8 9.273 2.301 10.221 1.00 1.53 H new ATOM 0 HG12 ILE A 8 7.818 0.438 10.814 1.00 1.79 H new ATOM 0 HG13 ILE A 8 7.512 1.785 11.892 1.00 1.79 H new ATOM 0 HG21 ILE A 8 7.859 4.089 11.199 1.00 1.56 H new ATOM 0 HG22 ILE A 8 8.437 4.484 9.563 1.00 1.56 H new ATOM 0 HG23 ILE A 8 6.757 3.952 9.808 1.00 1.56 H new ATOM 0 HD11 ILE A 8 5.412 0.671 11.265 1.00 2.01 H new ATOM 0 HD12 ILE A 8 5.437 2.336 10.638 1.00 2.01 H new ATOM 0 HD13 ILE A 8 5.748 0.968 9.543 1.00 2.01 H new ATOM 126 N SER A 9 10.024 2.795 7.126 1.00 1.23 N ATOM 127 CA SER A 9 10.704 3.700 6.193 1.00 1.22 C ATOM 128 C SER A 9 10.277 3.503 4.732 1.00 1.25 C ATOM 129 O SER A 9 10.332 4.460 3.961 1.00 1.33 O ATOM 130 CB SER A 9 12.220 3.569 6.333 1.00 1.25 C ATOM 131 OG SER A 9 12.621 3.685 7.689 1.00 1.47 O ATOM 0 H SER A 9 10.620 2.041 7.467 1.00 1.23 H new ATOM 0 HA SER A 9 10.400 4.710 6.466 1.00 1.22 H new ATOM 0 HB2 SER A 9 12.543 2.606 5.936 1.00 1.25 H new ATOM 0 HB3 SER A 9 12.711 4.339 5.738 1.00 1.25 H new ATOM 0 HG SER A 9 13.595 3.596 7.751 1.00 1.47 H new ATOM 137 N LEU A 10 9.778 2.322 4.350 1.00 1.27 N ATOM 138 CA LEU A 10 9.202 2.078 3.017 1.00 1.40 C ATOM 139 C LEU A 10 7.928 2.900 2.730 1.00 1.53 C ATOM 140 O LEU A 10 7.559 3.063 1.566 1.00 1.71 O ATOM 141 CB LEU A 10 8.899 0.574 2.840 1.00 1.49 C ATOM 142 CG LEU A 10 9.986 -0.188 2.064 1.00 1.65 C ATOM 143 CD1 LEU A 10 11.248 -0.397 2.892 1.00 2.07 C ATOM 144 CD2 LEU A 10 9.482 -1.576 1.683 1.00 1.58 C ATOM 0 H LEU A 10 9.761 1.503 4.958 1.00 1.27 H new ATOM 0 HA LEU A 10 9.952 2.406 2.298 1.00 1.40 H new ATOM 0 HB2 LEU A 10 8.780 0.118 3.823 1.00 1.49 H new ATOM 0 HB3 LEU A 10 7.948 0.463 2.319 1.00 1.49 H new ATOM 0 HG LEU A 10 10.216 0.418 1.187 1.00 1.65 H new ATOM 0 HD11 LEU A 10 11.986 -0.939 2.301 1.00 2.07 H new ATOM 0 HD12 LEU A 10 11.657 0.571 3.183 1.00 2.07 H new ATOM 0 HD13 LEU A 10 11.006 -0.972 3.786 1.00 2.07 H new ATOM 0 HD21 LEU A 10 10.259 -2.107 1.134 1.00 1.58 H new ATOM 0 HD22 LEU A 10 9.231 -2.132 2.586 1.00 1.58 H new ATOM 0 HD23 LEU A 10 8.595 -1.482 1.056 1.00 1.58 H new ATOM 156 N GLN A 11 7.246 3.409 3.757 1.00 1.51 N ATOM 157 CA GLN A 11 5.917 4.026 3.657 1.00 1.61 C ATOM 158 C GLN A 11 5.876 5.379 2.920 1.00 1.64 C ATOM 159 O GLN A 11 6.878 6.094 2.805 1.00 1.93 O ATOM 160 CB GLN A 11 5.306 4.130 5.054 1.00 1.65 C ATOM 161 CG GLN A 11 4.955 2.734 5.587 1.00 1.62 C ATOM 162 CD GLN A 11 4.032 2.839 6.784 1.00 1.70 C ATOM 163 OE1 GLN A 11 2.844 2.552 6.714 1.00 2.33 O ATOM 164 NE2 GLN A 11 4.531 3.282 7.910 1.00 2.17 N ATOM 0 H GLN A 11 7.611 3.405 4.709 1.00 1.51 H new ATOM 0 HA GLN A 11 5.318 3.368 3.027 1.00 1.61 H new ATOM 0 HB2 GLN A 11 6.008 4.619 5.730 1.00 1.65 H new ATOM 0 HB3 GLN A 11 4.410 4.750 5.021 1.00 1.65 H new ATOM 0 HG2 GLN A 11 4.477 2.148 4.802 1.00 1.62 H new ATOM 0 HG3 GLN A 11 5.866 2.206 5.868 1.00 1.62 H new ATOM 0 HE21 GLN A 11 5.521 3.522 7.970 1.00 2.17 H new ATOM 0 HE22 GLN A 11 3.930 3.388 8.728 1.00 2.17 H new ATOM 173 N ALA A 12 4.687 5.727 2.416 1.00 1.46 N ATOM 174 CA ALA A 12 4.404 6.936 1.642 1.00 1.40 C ATOM 175 C ALA A 12 3.818 8.071 2.504 1.00 1.36 C ATOM 176 O ALA A 12 3.182 7.833 3.535 1.00 1.81 O ATOM 177 CB ALA A 12 3.472 6.561 0.483 1.00 1.47 C ATOM 0 H ALA A 12 3.859 5.145 2.544 1.00 1.46 H new ATOM 0 HA ALA A 12 5.341 7.330 1.249 1.00 1.40 H new ATOM 0 HB1 ALA A 12 3.249 7.450 -0.107 1.00 1.47 H new ATOM 0 HB2 ALA A 12 3.959 5.819 -0.150 1.00 1.47 H new ATOM 0 HB3 ALA A 12 2.545 6.147 0.881 1.00 1.47 H new ATOM 183 N THR A 13 4.016 9.312 2.060 1.00 1.59 N ATOM 184 CA THR A 13 3.609 10.534 2.781 1.00 1.60 C ATOM 185 C THR A 13 2.173 10.973 2.444 1.00 1.23 C ATOM 186 O THR A 13 1.529 11.676 3.223 1.00 1.22 O ATOM 187 CB THR A 13 4.604 11.674 2.472 1.00 1.92 C ATOM 188 OG1 THR A 13 5.932 11.188 2.484 1.00 2.29 O ATOM 189 CG2 THR A 13 4.554 12.819 3.483 1.00 2.30 C ATOM 0 H THR A 13 4.474 9.508 1.170 1.00 1.59 H new ATOM 0 HA THR A 13 3.624 10.304 3.846 1.00 1.60 H new ATOM 0 HB THR A 13 4.309 12.049 1.492 1.00 1.92 H new ATOM 0 HG1 THR A 13 6.551 11.922 2.285 1.00 2.29 H new ATOM 0 HG21 THR A 13 5.279 13.583 3.203 1.00 2.30 H new ATOM 0 HG22 THR A 13 3.554 13.253 3.492 1.00 2.30 H new ATOM 0 HG23 THR A 13 4.793 12.438 4.476 1.00 2.30 H new ATOM 197 N GLU A 14 1.656 10.566 1.280 1.00 1.02 N ATOM 198 CA GLU A 14 0.395 11.057 0.705 1.00 0.84 C ATOM 199 C GLU A 14 -0.429 9.975 -0.019 1.00 0.72 C ATOM 200 O GLU A 14 0.067 8.881 -0.300 1.00 0.77 O ATOM 201 CB GLU A 14 0.697 12.266 -0.202 1.00 0.95 C ATOM 202 CG GLU A 14 1.352 11.962 -1.552 1.00 1.23 C ATOM 203 CD GLU A 14 2.743 11.358 -1.409 1.00 2.06 C ATOM 204 OE1 GLU A 14 3.674 12.051 -0.942 1.00 2.68 O ATOM 205 OE2 GLU A 14 2.929 10.177 -1.794 1.00 3.52 O ATOM 0 H GLU A 14 2.114 9.867 0.695 1.00 1.02 H new ATOM 0 HA GLU A 14 -0.246 11.368 1.530 1.00 0.84 H new ATOM 0 HB2 GLU A 14 -0.238 12.795 -0.388 1.00 0.95 H new ATOM 0 HB3 GLU A 14 1.346 12.949 0.346 1.00 0.95 H new ATOM 0 HG2 GLU A 14 0.718 11.275 -2.112 1.00 1.23 H new ATOM 0 HG3 GLU A 14 1.418 12.881 -2.134 1.00 1.23 H new ATOM 212 N ALA A 15 -1.682 10.296 -0.348 1.00 0.66 N ATOM 213 CA ALA A 15 -2.604 9.448 -1.109 1.00 0.61 C ATOM 214 C ALA A 15 -3.456 10.255 -2.113 1.00 0.59 C ATOM 215 O ALA A 15 -3.613 11.474 -1.972 1.00 0.73 O ATOM 216 CB ALA A 15 -3.484 8.685 -0.109 1.00 0.63 C ATOM 0 H ALA A 15 -2.099 11.188 -0.082 1.00 0.66 H new ATOM 0 HA ALA A 15 -2.028 8.747 -1.713 1.00 0.61 H new ATOM 0 HB1 ALA A 15 -4.180 8.045 -0.651 1.00 0.63 H new ATOM 0 HB2 ALA A 15 -2.854 8.072 0.535 1.00 0.63 H new ATOM 0 HB3 ALA A 15 -4.043 9.396 0.500 1.00 0.63 H new ATOM 222 N THR A 16 -4.029 9.559 -3.102 1.00 0.53 N ATOM 223 CA THR A 16 -4.934 10.108 -4.131 1.00 0.52 C ATOM 224 C THR A 16 -6.299 9.394 -4.099 1.00 0.46 C ATOM 225 O THR A 16 -6.464 8.324 -4.684 1.00 0.55 O ATOM 226 CB THR A 16 -4.280 10.029 -5.525 1.00 0.67 C ATOM 227 OG1 THR A 16 -3.024 10.682 -5.520 1.00 0.82 O ATOM 228 CG2 THR A 16 -5.126 10.715 -6.599 1.00 0.75 C ATOM 0 H THR A 16 -3.872 8.558 -3.216 1.00 0.53 H new ATOM 0 HA THR A 16 -5.114 11.160 -3.910 1.00 0.52 H new ATOM 0 HB THR A 16 -4.181 8.968 -5.752 1.00 0.67 H new ATOM 0 HG1 THR A 16 -2.621 10.622 -6.411 1.00 0.82 H new ATOM 0 HG21 THR A 16 -4.625 10.634 -7.564 1.00 0.75 H new ATOM 0 HG22 THR A 16 -6.102 10.234 -6.655 1.00 0.75 H new ATOM 0 HG23 THR A 16 -5.254 11.767 -6.344 1.00 0.75 H new ATOM 236 N ILE A 17 -7.292 9.965 -3.407 1.00 0.42 N ATOM 237 CA ILE A 17 -8.650 9.397 -3.234 1.00 0.46 C ATOM 238 C ILE A 17 -9.493 9.656 -4.494 1.00 0.53 C ATOM 239 O ILE A 17 -9.347 10.713 -5.105 1.00 0.64 O ATOM 240 CB ILE A 17 -9.372 9.983 -1.986 1.00 0.49 C ATOM 241 CG1 ILE A 17 -8.430 10.228 -0.778 1.00 0.52 C ATOM 242 CG2 ILE A 17 -10.553 9.071 -1.589 1.00 0.83 C ATOM 243 CD1 ILE A 17 -9.128 10.769 0.480 1.00 0.57 C ATOM 0 H ILE A 17 -7.177 10.862 -2.935 1.00 0.42 H new ATOM 0 HA ILE A 17 -8.539 8.324 -3.079 1.00 0.46 H new ATOM 0 HB ILE A 17 -9.744 10.967 -2.270 1.00 0.49 H new ATOM 0 HG12 ILE A 17 -7.932 9.291 -0.527 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.653 10.932 -1.077 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -11.055 9.486 -0.715 1.00 0.83 H new ATOM 0 HG22 ILE A 17 -11.259 9.009 -2.417 1.00 0.83 H new ATOM 0 HG23 ILE A 17 -10.180 8.074 -1.354 1.00 0.83 H new ATOM 0 HD11 ILE A 17 -8.393 10.910 1.272 1.00 0.57 H new ATOM 0 HD12 ILE A 17 -9.602 11.724 0.251 1.00 0.57 H new ATOM 0 HD13 ILE A 17 -9.885 10.058 0.810 1.00 0.57 H new ATOM 255 N VAL A 18 -10.404 8.750 -4.877 1.00 0.58 N ATOM 256 CA VAL A 18 -11.289 8.923 -6.051 1.00 0.67 C ATOM 257 C VAL A 18 -12.769 8.726 -5.689 1.00 0.85 C ATOM 258 O VAL A 18 -13.172 7.635 -5.282 1.00 1.02 O ATOM 259 CB VAL A 18 -10.876 7.973 -7.196 1.00 0.79 C ATOM 260 CG1 VAL A 18 -11.719 8.217 -8.456 1.00 1.72 C ATOM 261 CG2 VAL A 18 -9.391 8.110 -7.562 1.00 1.45 C ATOM 0 H VAL A 18 -10.553 7.870 -4.382 1.00 0.58 H new ATOM 0 HA VAL A 18 -11.172 9.951 -6.394 1.00 0.67 H new ATOM 0 HB VAL A 18 -11.052 6.963 -6.825 1.00 0.79 H new ATOM 0 HG11 VAL A 18 -11.403 7.532 -9.243 1.00 1.72 H new ATOM 0 HG12 VAL A 18 -12.771 8.047 -8.228 1.00 1.72 H new ATOM 0 HG13 VAL A 18 -11.582 9.245 -8.792 1.00 1.72 H new ATOM 0 HG21 VAL A 18 -9.151 7.421 -8.372 1.00 1.45 H new ATOM 0 HG22 VAL A 18 -9.188 9.132 -7.883 1.00 1.45 H new ATOM 0 HG23 VAL A 18 -8.779 7.874 -6.692 1.00 1.45 H new ATOM 271 N THR A 19 -13.593 9.758 -5.913 1.00 0.97 N ATOM 272 CA THR A 19 -15.051 9.752 -5.669 1.00 1.23 C ATOM 273 C THR A 19 -15.831 10.073 -6.950 1.00 1.22 C ATOM 274 O THR A 19 -15.363 10.837 -7.797 1.00 1.11 O ATOM 275 CB THR A 19 -15.434 10.740 -4.553 1.00 1.52 C ATOM 276 OG1 THR A 19 -14.665 10.507 -3.394 1.00 1.71 O ATOM 277 CG2 THR A 19 -16.890 10.606 -4.108 1.00 1.94 C ATOM 0 H THR A 19 -13.259 10.649 -6.280 1.00 0.97 H new ATOM 0 HA THR A 19 -15.320 8.746 -5.346 1.00 1.23 H new ATOM 0 HB THR A 19 -15.259 11.727 -4.981 1.00 1.52 H new ATOM 0 HG1 THR A 19 -14.922 11.146 -2.697 1.00 1.71 H new ATOM 0 HG21 THR A 19 -17.098 11.329 -3.320 1.00 1.94 H new ATOM 0 HG22 THR A 19 -17.548 10.794 -4.956 1.00 1.94 H new ATOM 0 HG23 THR A 19 -17.064 9.598 -3.731 1.00 1.94 H new ATOM 391 N LEU A 27 -15.497 11.065 -12.564 1.00 1.72 N ATOM 392 CA LEU A 27 -14.385 10.880 -11.624 1.00 1.43 C ATOM 393 C LEU A 27 -13.868 12.225 -11.071 1.00 1.23 C ATOM 394 O LEU A 27 -13.504 13.125 -11.834 1.00 1.45 O ATOM 395 CB LEU A 27 -13.235 10.104 -12.307 1.00 1.63 C ATOM 396 CG LEU A 27 -13.457 8.635 -12.727 1.00 1.96 C ATOM 397 CD1 LEU A 27 -13.985 7.792 -11.568 1.00 2.57 C ATOM 398 CD2 LEU A 27 -14.375 8.436 -13.937 1.00 2.85 C ATOM 0 HA LEU A 27 -14.760 10.302 -10.779 1.00 1.43 H new ATOM 0 HB2 LEU A 27 -12.950 10.660 -13.200 1.00 1.63 H new ATOM 0 HB3 LEU A 27 -12.380 10.126 -11.632 1.00 1.63 H new ATOM 0 HG LEU A 27 -12.464 8.301 -13.026 1.00 1.96 H new ATOM 0 HD11 LEU A 27 -14.129 6.764 -11.902 1.00 2.57 H new ATOM 0 HD12 LEU A 27 -13.267 7.810 -10.748 1.00 2.57 H new ATOM 0 HD13 LEU A 27 -14.937 8.199 -11.226 1.00 2.57 H new ATOM 0 HD21 LEU A 27 -14.467 7.372 -14.152 1.00 2.85 H new ATOM 0 HD22 LEU A 27 -15.360 8.849 -13.718 1.00 2.85 H new ATOM 0 HD23 LEU A 27 -13.952 8.946 -14.802 1.00 2.85 H new ATOM 410 N SER A 28 -13.792 12.344 -9.741 1.00 1.08 N ATOM 411 CA SER A 28 -13.341 13.535 -8.999 1.00 1.09 C ATOM 412 C SER A 28 -12.327 13.131 -7.921 1.00 0.98 C ATOM 413 O SER A 28 -12.686 12.463 -6.945 1.00 1.17 O ATOM 414 CB SER A 28 -14.569 14.199 -8.367 1.00 1.37 C ATOM 415 OG SER A 28 -14.214 15.289 -7.541 1.00 1.61 O ATOM 0 H SER A 28 -14.055 11.579 -9.120 1.00 1.08 H new ATOM 0 HA SER A 28 -12.850 14.237 -9.672 1.00 1.09 H new ATOM 0 HB2 SER A 28 -15.240 14.544 -9.154 1.00 1.37 H new ATOM 0 HB3 SER A 28 -15.118 13.463 -7.780 1.00 1.37 H new ATOM 0 HG SER A 28 -15.024 15.687 -7.158 1.00 1.61 H new ATOM 421 N GLU A 29 -11.052 13.504 -8.089 1.00 0.88 N ATOM 422 CA GLU A 29 -9.944 12.989 -7.270 1.00 0.79 C ATOM 423 C GLU A 29 -9.359 14.016 -6.283 1.00 0.74 C ATOM 424 O GLU A 29 -9.081 15.169 -6.628 1.00 0.81 O ATOM 425 CB GLU A 29 -8.825 12.398 -8.152 1.00 0.92 C ATOM 426 CG GLU A 29 -9.308 11.502 -9.309 1.00 1.02 C ATOM 427 CD GLU A 29 -9.792 12.268 -10.555 1.00 1.86 C ATOM 428 OE1 GLU A 29 -9.675 13.513 -10.623 1.00 2.89 O ATOM 429 OE2 GLU A 29 -10.328 11.643 -11.504 1.00 2.78 O ATOM 0 H GLU A 29 -10.757 14.174 -8.799 1.00 0.88 H new ATOM 0 HA GLU A 29 -10.383 12.198 -6.662 1.00 0.79 H new ATOM 0 HB2 GLU A 29 -8.240 13.218 -8.568 1.00 0.92 H new ATOM 0 HB3 GLU A 29 -8.154 11.817 -7.519 1.00 0.92 H new ATOM 0 HG2 GLU A 29 -8.495 10.838 -9.600 1.00 1.02 H new ATOM 0 HG3 GLU A 29 -10.121 10.872 -8.948 1.00 1.02 H new ATOM 436 N GLU A 30 -9.100 13.577 -5.053 1.00 0.72 N ATOM 437 CA GLU A 30 -8.528 14.376 -3.961 1.00 0.69 C ATOM 438 C GLU A 30 -7.078 13.943 -3.693 1.00 0.57 C ATOM 439 O GLU A 30 -6.814 12.753 -3.537 1.00 0.52 O ATOM 440 CB GLU A 30 -9.360 14.210 -2.676 1.00 0.79 C ATOM 441 CG GLU A 30 -10.884 14.348 -2.831 1.00 1.04 C ATOM 442 CD GLU A 30 -11.346 15.750 -3.251 1.00 1.48 C ATOM 443 OE1 GLU A 30 -11.030 16.733 -2.534 1.00 2.30 O ATOM 444 OE2 GLU A 30 -12.076 15.888 -4.266 1.00 2.67 O ATOM 0 H GLU A 30 -9.290 12.614 -4.774 1.00 0.72 H new ATOM 0 HA GLU A 30 -8.544 15.424 -4.259 1.00 0.69 H new ATOM 0 HB2 GLU A 30 -9.146 13.228 -2.254 1.00 0.79 H new ATOM 0 HB3 GLU A 30 -9.021 14.950 -1.951 1.00 0.79 H new ATOM 0 HG2 GLU A 30 -11.230 13.626 -3.571 1.00 1.04 H new ATOM 0 HG3 GLU A 30 -11.360 14.088 -1.885 1.00 1.04 H new ATOM 451 N GLN A 31 -6.138 14.884 -3.577 1.00 0.68 N ATOM 452 CA GLN A 31 -4.752 14.603 -3.174 1.00 0.75 C ATOM 453 C GLN A 31 -4.567 15.052 -1.719 1.00 0.77 C ATOM 454 O GLN A 31 -4.850 16.216 -1.412 1.00 0.86 O ATOM 455 CB GLN A 31 -3.782 15.309 -4.122 1.00 1.00 C ATOM 456 CG GLN A 31 -3.843 14.689 -5.527 1.00 1.27 C ATOM 457 CD GLN A 31 -2.507 14.819 -6.230 1.00 1.56 C ATOM 458 OE1 GLN A 31 -2.280 15.692 -7.062 1.00 2.03 O ATOM 459 NE2 GLN A 31 -1.558 13.989 -5.864 1.00 1.58 N ATOM 0 H GLN A 31 -6.316 15.871 -3.761 1.00 0.68 H new ATOM 0 HA GLN A 31 -4.540 13.536 -3.236 1.00 0.75 H new ATOM 0 HB2 GLN A 31 -4.027 16.370 -4.177 1.00 1.00 H new ATOM 0 HB3 GLN A 31 -2.767 15.236 -3.731 1.00 1.00 H new ATOM 0 HG2 GLN A 31 -4.120 13.637 -5.454 1.00 1.27 H new ATOM 0 HG3 GLN A 31 -4.618 15.182 -6.114 1.00 1.27 H new ATOM 0 HE21 GLN A 31 -1.752 13.265 -5.172 1.00 1.58 H new ATOM 0 HE22 GLN A 31 -0.626 14.068 -6.272 1.00 1.58 H new ATOM 468 N VAL A 32 -4.156 14.149 -0.825 1.00 0.77 N ATOM 469 CA VAL A 32 -4.140 14.380 0.635 1.00 0.87 C ATOM 470 C VAL A 32 -2.892 13.810 1.318 1.00 0.93 C ATOM 471 O VAL A 32 -2.321 12.829 0.848 1.00 0.77 O ATOM 472 CB VAL A 32 -5.401 13.796 1.317 1.00 0.88 C ATOM 473 CG1 VAL A 32 -6.706 14.342 0.721 1.00 0.87 C ATOM 474 CG2 VAL A 32 -5.475 12.262 1.274 1.00 0.83 C ATOM 0 H VAL A 32 -3.820 13.223 -1.091 1.00 0.77 H new ATOM 0 HA VAL A 32 -4.127 15.463 0.756 1.00 0.87 H new ATOM 0 HB VAL A 32 -5.300 14.117 2.354 1.00 0.88 H new ATOM 0 HG11 VAL A 32 -7.556 13.897 1.238 1.00 0.87 H new ATOM 0 HG12 VAL A 32 -6.735 15.425 0.840 1.00 0.87 H new ATOM 0 HG13 VAL A 32 -6.755 14.092 -0.339 1.00 0.87 H new ATOM 0 HG21 VAL A 32 -6.385 11.928 1.771 1.00 0.83 H new ATOM 0 HG22 VAL A 32 -5.484 11.927 0.237 1.00 0.83 H new ATOM 0 HG23 VAL A 32 -4.608 11.841 1.783 1.00 0.83 H new ATOM 484 N ASP A 33 -2.538 14.351 2.487 1.00 1.20 N ATOM 485 CA ASP A 33 -1.506 13.749 3.346 1.00 1.30 C ATOM 486 C ASP A 33 -2.072 12.488 4.029 1.00 1.23 C ATOM 487 O ASP A 33 -3.260 12.418 4.352 1.00 1.26 O ATOM 488 CB ASP A 33 -1.014 14.746 4.406 1.00 1.54 C ATOM 489 CG ASP A 33 0.047 15.748 3.941 1.00 2.69 C ATOM 490 OD1 ASP A 33 0.397 15.841 2.740 1.00 4.03 O ATOM 491 OD2 ASP A 33 0.525 16.521 4.806 1.00 3.18 O ATOM 0 H ASP A 33 -2.949 15.205 2.863 1.00 1.20 H new ATOM 0 HA ASP A 33 -0.655 13.476 2.721 1.00 1.30 H new ATOM 0 HB2 ASP A 33 -1.873 15.303 4.779 1.00 1.54 H new ATOM 0 HB3 ASP A 33 -0.610 14.182 5.247 1.00 1.54 H new ATOM 496 N VAL A 34 -1.221 11.480 4.253 1.00 1.20 N ATOM 497 CA VAL A 34 -1.644 10.128 4.676 1.00 1.15 C ATOM 498 C VAL A 34 -2.438 10.086 5.993 1.00 1.21 C ATOM 499 O VAL A 34 -3.311 9.234 6.148 1.00 1.23 O ATOM 500 CB VAL A 34 -0.431 9.172 4.685 1.00 1.12 C ATOM 501 CG1 VAL A 34 0.585 9.513 5.782 1.00 1.28 C ATOM 502 CG2 VAL A 34 -0.842 7.697 4.802 1.00 1.08 C ATOM 0 H VAL A 34 -0.211 11.574 4.147 1.00 1.20 H new ATOM 0 HA VAL A 34 -2.361 9.782 3.932 1.00 1.15 H new ATOM 0 HB VAL A 34 0.050 9.319 3.718 1.00 1.12 H new ATOM 0 HG11 VAL A 34 1.416 8.808 5.740 1.00 1.28 H new ATOM 0 HG12 VAL A 34 0.960 10.525 5.629 1.00 1.28 H new ATOM 0 HG13 VAL A 34 0.103 9.448 6.757 1.00 1.28 H new ATOM 0 HG21 VAL A 34 0.050 7.070 4.804 1.00 1.08 H new ATOM 0 HG22 VAL A 34 -1.394 7.546 5.730 1.00 1.08 H new ATOM 0 HG23 VAL A 34 -1.474 7.427 3.956 1.00 1.08 H new ATOM 512 N GLU A 35 -2.238 11.028 6.919 1.00 1.32 N ATOM 513 CA GLU A 35 -2.996 11.106 8.183 1.00 1.43 C ATOM 514 C GLU A 35 -4.454 11.599 7.998 1.00 1.48 C ATOM 515 O GLU A 35 -5.253 11.526 8.935 1.00 1.69 O ATOM 516 CB GLU A 35 -2.178 11.949 9.180 1.00 1.65 C ATOM 517 CG GLU A 35 -2.587 11.828 10.652 1.00 1.82 C ATOM 518 CD GLU A 35 -1.531 12.464 11.572 1.00 2.45 C ATOM 519 OE1 GLU A 35 -0.498 11.809 11.870 1.00 3.35 O ATOM 520 OE2 GLU A 35 -1.733 13.622 12.017 1.00 3.08 O ATOM 0 H GLU A 35 -1.541 11.766 6.817 1.00 1.32 H new ATOM 0 HA GLU A 35 -3.124 10.103 8.589 1.00 1.43 H new ATOM 0 HB2 GLU A 35 -1.129 11.667 9.090 1.00 1.65 H new ATOM 0 HB3 GLU A 35 -2.252 12.996 8.887 1.00 1.65 H new ATOM 0 HG2 GLU A 35 -3.550 12.315 10.807 1.00 1.82 H new ATOM 0 HG3 GLU A 35 -2.716 10.777 10.912 1.00 1.82 H new ATOM 527 N LEU A 36 -4.835 12.046 6.791 1.00 1.31 N ATOM 528 CA LEU A 36 -6.155 12.614 6.446 1.00 1.32 C ATOM 529 C LEU A 36 -7.099 11.653 5.702 1.00 1.20 C ATOM 530 O LEU A 36 -8.243 12.015 5.396 1.00 1.29 O ATOM 531 CB LEU A 36 -5.950 13.907 5.631 1.00 1.32 C ATOM 532 CG LEU A 36 -4.958 14.934 6.208 1.00 1.49 C ATOM 533 CD1 LEU A 36 -4.903 16.164 5.302 1.00 1.49 C ATOM 534 CD2 LEU A 36 -5.356 15.388 7.611 1.00 1.69 C ATOM 0 H LEU A 36 -4.205 12.022 5.990 1.00 1.31 H new ATOM 0 HA LEU A 36 -6.656 12.821 7.392 1.00 1.32 H new ATOM 0 HB2 LEU A 36 -5.612 13.631 4.632 1.00 1.32 H new ATOM 0 HB3 LEU A 36 -6.918 14.395 5.516 1.00 1.32 H new ATOM 0 HG LEU A 36 -3.985 14.447 6.263 1.00 1.49 H new ATOM 0 HD11 LEU A 36 -4.200 16.888 5.714 1.00 1.49 H new ATOM 0 HD12 LEU A 36 -4.576 15.867 4.305 1.00 1.49 H new ATOM 0 HD13 LEU A 36 -5.893 16.615 5.240 1.00 1.49 H new ATOM 0 HD21 LEU A 36 -4.629 16.112 7.979 1.00 1.69 H new ATOM 0 HD22 LEU A 36 -6.343 15.850 7.578 1.00 1.69 H new ATOM 0 HD23 LEU A 36 -5.381 14.527 8.279 1.00 1.69 H new ATOM 546 N VAL A 37 -6.637 10.431 5.426 1.00 1.06 N ATOM 547 CA VAL A 37 -7.442 9.332 4.876 1.00 1.04 C ATOM 548 C VAL A 37 -7.659 8.238 5.929 1.00 1.29 C ATOM 549 O VAL A 37 -6.827 8.032 6.819 1.00 1.92 O ATOM 550 CB VAL A 37 -6.851 8.835 3.539 1.00 0.95 C ATOM 551 CG1 VAL A 37 -5.464 8.197 3.673 1.00 0.91 C ATOM 552 CG2 VAL A 37 -7.781 7.861 2.814 1.00 1.20 C ATOM 0 H VAL A 37 -5.664 10.169 5.583 1.00 1.06 H new ATOM 0 HA VAL A 37 -8.440 9.695 4.630 1.00 1.04 H new ATOM 0 HB VAL A 37 -6.745 9.742 2.944 1.00 0.95 H new ATOM 0 HG11 VAL A 37 -5.116 7.873 2.692 1.00 0.91 H new ATOM 0 HG12 VAL A 37 -4.766 8.927 4.083 1.00 0.91 H new ATOM 0 HG13 VAL A 37 -5.522 7.337 4.340 1.00 0.91 H new ATOM 0 HG21 VAL A 37 -7.318 7.542 1.880 1.00 1.20 H new ATOM 0 HG22 VAL A 37 -7.960 6.991 3.446 1.00 1.20 H new ATOM 0 HG23 VAL A 37 -8.729 8.355 2.599 1.00 1.20 H new ATOM 562 N GLN A 38 -8.805 7.567 5.852 1.00 1.12 N ATOM 563 CA GLN A 38 -9.245 6.468 6.724 1.00 1.27 C ATOM 564 C GLN A 38 -9.576 5.211 5.896 1.00 1.16 C ATOM 565 O GLN A 38 -9.565 5.246 4.664 1.00 1.17 O ATOM 566 CB GLN A 38 -10.472 6.931 7.534 1.00 1.51 C ATOM 567 CG GLN A 38 -10.188 8.131 8.444 1.00 2.74 C ATOM 568 CD GLN A 38 -11.492 8.730 8.898 1.00 2.88 C ATOM 569 OE1 GLN A 38 -11.980 9.719 8.362 1.00 3.41 O ATOM 570 NE2 GLN A 38 -12.157 8.122 9.834 1.00 3.28 N ATOM 0 H GLN A 38 -9.498 7.785 5.136 1.00 1.12 H new ATOM 0 HA GLN A 38 -8.439 6.205 7.409 1.00 1.27 H new ATOM 0 HB2 GLN A 38 -11.275 7.190 6.845 1.00 1.51 H new ATOM 0 HB3 GLN A 38 -10.830 6.101 8.143 1.00 1.51 H new ATOM 0 HG2 GLN A 38 -9.599 7.817 9.306 1.00 2.74 H new ATOM 0 HG3 GLN A 38 -9.599 8.876 7.909 1.00 2.74 H new ATOM 0 HE21 GLN A 38 -11.762 7.298 10.288 1.00 3.28 H new ATOM 0 HE22 GLN A 38 -13.074 8.468 10.115 1.00 3.28 H new ATOM 579 N ARG A 39 -9.912 4.096 6.559 1.00 1.10 N ATOM 580 CA ARG A 39 -10.467 2.907 5.872 1.00 0.93 C ATOM 581 C ARG A 39 -11.879 3.186 5.339 1.00 1.25 C ATOM 582 O ARG A 39 -12.565 4.066 5.870 1.00 2.84 O ATOM 583 CB ARG A 39 -10.425 1.689 6.810 1.00 0.88 C ATOM 584 CG ARG A 39 -11.465 1.745 7.941 1.00 1.01 C ATOM 585 CD ARG A 39 -11.057 0.839 9.107 1.00 1.19 C ATOM 586 NE ARG A 39 -11.998 0.947 10.237 1.00 1.39 N ATOM 587 CZ ARG A 39 -13.111 0.263 10.417 1.00 1.74 C ATOM 588 NH1 ARG A 39 -13.560 -0.607 9.560 1.00 2.74 N ATOM 589 NH2 ARG A 39 -13.816 0.462 11.486 1.00 1.89 N ATOM 0 H ARG A 39 -9.812 3.986 7.568 1.00 1.10 H new ATOM 0 HA ARG A 39 -9.848 2.677 5.004 1.00 0.93 H new ATOM 0 HB2 ARG A 39 -10.587 0.784 6.224 1.00 0.88 H new ATOM 0 HB3 ARG A 39 -9.429 1.612 7.247 1.00 0.88 H new ATOM 0 HG2 ARG A 39 -11.570 2.771 8.293 1.00 1.01 H new ATOM 0 HG3 ARG A 39 -12.439 1.437 7.560 1.00 1.01 H new ATOM 0 HD2 ARG A 39 -11.015 -0.196 8.766 1.00 1.19 H new ATOM 0 HD3 ARG A 39 -10.054 1.106 9.442 1.00 1.19 H new ATOM 0 HE ARG A 39 -11.762 1.627 10.960 1.00 1.39 H new ATOM 0 HH11 ARG A 39 -13.044 -0.787 8.699 1.00 2.74 H new ATOM 0 HH12 ARG A 39 -14.428 -1.109 9.750 1.00 2.74 H new ATOM 0 HH21 ARG A 39 -13.509 1.143 12.180 1.00 1.89 H new ATOM 0 HH22 ARG A 39 -14.678 -0.063 11.633 1.00 1.89 H new ATOM 603 N GLY A 40 -12.347 2.455 4.325 1.00 1.04 N ATOM 604 CA GLY A 40 -13.673 2.668 3.719 1.00 1.00 C ATOM 605 C GLY A 40 -13.649 3.563 2.469 1.00 0.93 C ATOM 606 O GLY A 40 -14.667 4.167 2.119 1.00 1.20 O ATOM 0 H GLY A 40 -11.819 1.695 3.896 1.00 1.04 H new ATOM 0 HA2 GLY A 40 -14.100 1.701 3.454 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -14.334 3.115 4.462 1.00 1.00 H new ATOM 610 N ASP A 41 -12.500 3.667 1.795 1.00 0.95 N ATOM 611 CA ASP A 41 -12.275 4.515 0.616 1.00 0.91 C ATOM 612 C ASP A 41 -11.531 3.767 -0.510 1.00 0.74 C ATOM 613 O ASP A 41 -11.005 2.668 -0.290 1.00 0.73 O ATOM 614 CB ASP A 41 -11.524 5.794 1.040 1.00 1.02 C ATOM 615 CG ASP A 41 -12.484 6.868 1.552 1.00 1.26 C ATOM 616 OD1 ASP A 41 -13.304 7.356 0.741 1.00 2.10 O ATOM 617 OD2 ASP A 41 -12.449 7.227 2.754 1.00 1.89 O ATOM 0 H ASP A 41 -11.667 3.143 2.065 1.00 0.95 H new ATOM 0 HA ASP A 41 -13.245 4.792 0.203 1.00 0.91 H new ATOM 0 HB2 ASP A 41 -10.801 5.551 1.819 1.00 1.02 H new ATOM 0 HB3 ASP A 41 -10.960 6.183 0.192 1.00 1.02 H new ATOM 622 N ILE A 42 -11.502 4.347 -1.718 1.00 0.67 N ATOM 623 CA ILE A 42 -10.759 3.840 -2.885 1.00 0.60 C ATOM 624 C ILE A 42 -9.729 4.874 -3.362 1.00 0.48 C ATOM 625 O ILE A 42 -10.045 6.047 -3.576 1.00 0.50 O ATOM 626 CB ILE A 42 -11.708 3.374 -4.016 1.00 0.79 C ATOM 627 CG1 ILE A 42 -12.500 2.125 -3.562 1.00 1.20 C ATOM 628 CG2 ILE A 42 -10.925 3.043 -5.301 1.00 0.74 C ATOM 629 CD1 ILE A 42 -13.609 1.674 -4.522 1.00 1.20 C ATOM 0 H ILE A 42 -12.010 5.209 -1.918 1.00 0.67 H new ATOM 0 HA ILE A 42 -10.206 2.953 -2.576 1.00 0.60 H new ATOM 0 HB ILE A 42 -12.398 4.190 -4.231 1.00 0.79 H new ATOM 0 HG12 ILE A 42 -11.801 1.300 -3.426 1.00 1.20 H new ATOM 0 HG13 ILE A 42 -12.945 2.330 -2.588 1.00 1.20 H new ATOM 0 HG21 ILE A 42 -11.619 2.719 -6.077 1.00 0.74 H new ATOM 0 HG22 ILE A 42 -10.390 3.930 -5.640 1.00 0.74 H new ATOM 0 HG23 ILE A 42 -10.211 2.245 -5.097 1.00 0.74 H new ATOM 0 HD11 ILE A 42 -14.105 0.793 -4.116 1.00 1.20 H new ATOM 0 HD12 ILE A 42 -14.336 2.477 -4.641 1.00 1.20 H new ATOM 0 HD13 ILE A 42 -13.174 1.431 -5.492 1.00 1.20 H new ATOM 641 N ILE A 43 -8.487 4.416 -3.538 1.00 0.44 N ATOM 642 CA ILE A 43 -7.289 5.228 -3.776 1.00 0.45 C ATOM 643 C ILE A 43 -6.642 4.852 -5.118 1.00 0.49 C ATOM 644 O ILE A 43 -6.362 3.676 -5.357 1.00 0.67 O ATOM 645 CB ILE A 43 -6.284 4.991 -2.618 1.00 0.53 C ATOM 646 CG1 ILE A 43 -6.897 5.035 -1.197 1.00 0.56 C ATOM 647 CG2 ILE A 43 -5.101 5.965 -2.703 1.00 0.67 C ATOM 648 CD1 ILE A 43 -7.582 6.350 -0.811 1.00 0.65 C ATOM 0 H ILE A 43 -8.278 3.418 -3.517 1.00 0.44 H new ATOM 0 HA ILE A 43 -7.568 6.281 -3.815 1.00 0.45 H new ATOM 0 HB ILE A 43 -5.941 3.967 -2.764 1.00 0.53 H new ATOM 0 HG12 ILE A 43 -7.625 4.228 -1.110 1.00 0.56 H new ATOM 0 HG13 ILE A 43 -6.107 4.832 -0.474 1.00 0.56 H new ATOM 0 HG21 ILE A 43 -4.413 5.775 -1.879 1.00 0.67 H new ATOM 0 HG22 ILE A 43 -4.580 5.823 -3.650 1.00 0.67 H new ATOM 0 HG23 ILE A 43 -5.468 6.989 -2.641 1.00 0.67 H new ATOM 0 HD11 ILE A 43 -7.975 6.271 0.202 1.00 0.65 H new ATOM 0 HD12 ILE A 43 -6.859 7.164 -0.857 1.00 0.65 H new ATOM 0 HD13 ILE A 43 -8.400 6.551 -1.503 1.00 0.65 H new ATOM 660 N LYS A 44 -6.349 5.822 -5.989 1.00 0.50 N ATOM 661 CA LYS A 44 -5.575 5.600 -7.224 1.00 0.55 C ATOM 662 C LYS A 44 -4.074 5.511 -6.928 1.00 0.62 C ATOM 663 O LYS A 44 -3.523 6.364 -6.233 1.00 0.81 O ATOM 664 CB LYS A 44 -5.901 6.663 -8.278 1.00 0.73 C ATOM 665 CG LYS A 44 -5.136 6.349 -9.575 1.00 1.70 C ATOM 666 CD LYS A 44 -5.559 7.223 -10.749 1.00 2.12 C ATOM 667 CE LYS A 44 -6.859 6.751 -11.408 1.00 1.72 C ATOM 668 NZ LYS A 44 -7.058 7.399 -12.723 1.00 1.96 N ATOM 0 H LYS A 44 -6.642 6.791 -5.861 1.00 0.50 H new ATOM 0 HA LYS A 44 -5.871 4.638 -7.643 1.00 0.55 H new ATOM 0 HB2 LYS A 44 -6.974 6.682 -8.471 1.00 0.73 H new ATOM 0 HB3 LYS A 44 -5.625 7.652 -7.911 1.00 0.73 H new ATOM 0 HG2 LYS A 44 -4.068 6.479 -9.400 1.00 1.70 H new ATOM 0 HG3 LYS A 44 -5.291 5.302 -9.836 1.00 1.70 H new ATOM 0 HD2 LYS A 44 -5.685 8.249 -10.404 1.00 2.12 H new ATOM 0 HD3 LYS A 44 -4.763 7.232 -11.494 1.00 2.12 H new ATOM 0 HE2 LYS A 44 -6.834 5.668 -11.533 1.00 1.72 H new ATOM 0 HE3 LYS A 44 -7.703 6.977 -10.757 1.00 1.72 H new ATOM 0 HZ1 LYS A 44 -7.946 7.061 -13.146 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -7.105 8.430 -12.598 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -6.263 7.162 -13.351 1.00 1.96 H new ATOM 682 N VAL A 45 -3.407 4.510 -7.505 1.00 0.54 N ATOM 683 CA VAL A 45 -1.945 4.344 -7.479 1.00 0.54 C ATOM 684 C VAL A 45 -1.374 4.374 -8.904 1.00 0.57 C ATOM 685 O VAL A 45 -1.853 3.676 -9.804 1.00 0.67 O ATOM 686 CB VAL A 45 -1.559 3.097 -6.658 1.00 0.57 C ATOM 687 CG1 VAL A 45 -2.033 1.786 -7.279 1.00 0.80 C ATOM 688 CG2 VAL A 45 -0.052 2.986 -6.421 1.00 0.52 C ATOM 0 H VAL A 45 -3.880 3.767 -8.020 1.00 0.54 H new ATOM 0 HA VAL A 45 -1.483 5.186 -6.964 1.00 0.54 H new ATOM 0 HB VAL A 45 -2.073 3.246 -5.708 1.00 0.57 H new ATOM 0 HG11 VAL A 45 -1.726 0.952 -6.648 1.00 0.80 H new ATOM 0 HG12 VAL A 45 -3.120 1.796 -7.364 1.00 0.80 H new ATOM 0 HG13 VAL A 45 -1.592 1.672 -8.269 1.00 0.80 H new ATOM 0 HG21 VAL A 45 0.160 2.090 -5.838 1.00 0.52 H new ATOM 0 HG22 VAL A 45 0.464 2.926 -7.379 1.00 0.52 H new ATOM 0 HG23 VAL A 45 0.296 3.864 -5.876 1.00 0.52 H new ATOM 698 N VAL A 46 -0.368 5.225 -9.123 1.00 0.56 N ATOM 699 CA VAL A 46 0.164 5.570 -10.457 1.00 0.62 C ATOM 700 C VAL A 46 1.470 4.815 -10.785 1.00 0.58 C ATOM 701 O VAL A 46 2.036 4.149 -9.909 1.00 0.55 O ATOM 702 CB VAL A 46 0.297 7.107 -10.620 1.00 0.91 C ATOM 703 CG1 VAL A 46 -0.960 7.856 -10.154 1.00 1.10 C ATOM 704 CG2 VAL A 46 1.525 7.694 -9.918 1.00 0.98 C ATOM 0 H VAL A 46 0.114 5.708 -8.365 1.00 0.56 H new ATOM 0 HA VAL A 46 -0.559 5.231 -11.198 1.00 0.62 H new ATOM 0 HB VAL A 46 0.424 7.255 -11.692 1.00 0.91 H new ATOM 0 HG11 VAL A 46 -0.816 8.928 -10.289 1.00 1.10 H new ATOM 0 HG12 VAL A 46 -1.818 7.528 -10.742 1.00 1.10 H new ATOM 0 HG13 VAL A 46 -1.140 7.644 -9.100 1.00 1.10 H new ATOM 0 HG21 VAL A 46 1.553 8.772 -10.075 1.00 0.98 H new ATOM 0 HG22 VAL A 46 1.469 7.484 -8.850 1.00 0.98 H new ATOM 0 HG23 VAL A 46 2.429 7.244 -10.329 1.00 0.98 H new ATOM 714 N PRO A 47 1.985 4.880 -12.031 1.00 0.72 N ATOM 715 CA PRO A 47 3.284 4.300 -12.376 1.00 0.83 C ATOM 716 C PRO A 47 4.436 4.899 -11.549 1.00 0.83 C ATOM 717 O PRO A 47 4.595 6.122 -11.473 1.00 0.94 O ATOM 718 CB PRO A 47 3.454 4.527 -13.885 1.00 1.04 C ATOM 719 CG PRO A 47 2.015 4.632 -14.383 1.00 0.93 C ATOM 720 CD PRO A 47 1.337 5.374 -13.238 1.00 0.80 C ATOM 0 HA PRO A 47 3.316 3.237 -12.137 1.00 0.83 H new ATOM 0 HB2 PRO A 47 4.021 5.434 -14.095 1.00 1.04 H new ATOM 0 HB3 PRO A 47 3.986 3.702 -14.359 1.00 1.04 H new ATOM 0 HG2 PRO A 47 1.947 5.181 -15.322 1.00 0.93 H new ATOM 0 HG3 PRO A 47 1.570 3.652 -14.554 1.00 0.93 H new ATOM 0 HD2 PRO A 47 1.460 6.452 -13.339 1.00 0.80 H new ATOM 0 HD3 PRO A 47 0.265 5.176 -13.220 1.00 0.80 H new ATOM 728 N GLY A 48 5.239 4.039 -10.920 1.00 0.78 N ATOM 729 CA GLY A 48 6.338 4.421 -10.022 1.00 0.81 C ATOM 730 C GLY A 48 5.933 4.821 -8.592 1.00 0.80 C ATOM 731 O GLY A 48 6.817 5.138 -7.789 1.00 1.00 O ATOM 0 H GLY A 48 5.143 3.029 -11.022 1.00 0.78 H new ATOM 0 HA2 GLY A 48 7.037 3.587 -9.960 1.00 0.81 H new ATOM 0 HA3 GLY A 48 6.876 5.255 -10.473 1.00 0.81 H new ATOM 735 N GLY A 49 4.634 4.837 -8.268 1.00 0.70 N ATOM 736 CA GLY A 49 4.120 5.082 -6.914 1.00 0.68 C ATOM 737 C GLY A 49 4.173 3.854 -5.992 1.00 0.64 C ATOM 738 O GLY A 49 4.644 2.780 -6.373 1.00 0.94 O ATOM 0 H GLY A 49 3.896 4.677 -8.953 1.00 0.70 H new ATOM 0 HA2 GLY A 49 4.694 5.889 -6.459 1.00 0.68 H new ATOM 0 HA3 GLY A 49 3.088 5.425 -6.985 1.00 0.68 H new ATOM 742 N LYS A 50 3.657 4.005 -4.770 1.00 0.71 N ATOM 743 CA LYS A 50 3.577 2.968 -3.729 1.00 0.83 C ATOM 744 C LYS A 50 2.147 2.764 -3.227 1.00 0.95 C ATOM 745 O LYS A 50 1.304 3.660 -3.313 1.00 1.23 O ATOM 746 CB LYS A 50 4.461 3.339 -2.530 1.00 1.03 C ATOM 747 CG LYS A 50 5.920 3.675 -2.855 1.00 0.99 C ATOM 748 CD LYS A 50 6.651 3.917 -1.531 1.00 1.55 C ATOM 749 CE LYS A 50 8.097 4.342 -1.767 1.00 1.63 C ATOM 750 NZ LYS A 50 8.779 4.574 -0.476 1.00 2.57 N ATOM 0 H LYS A 50 3.264 4.894 -4.461 1.00 0.71 H new ATOM 0 HA LYS A 50 3.924 2.042 -4.187 1.00 0.83 H new ATOM 0 HB2 LYS A 50 4.015 4.196 -2.025 1.00 1.03 H new ATOM 0 HB3 LYS A 50 4.448 2.510 -1.823 1.00 1.03 H new ATOM 0 HG2 LYS A 50 6.387 2.858 -3.405 1.00 0.99 H new ATOM 0 HG3 LYS A 50 5.976 4.560 -3.490 1.00 0.99 H new ATOM 0 HD2 LYS A 50 6.131 4.688 -0.962 1.00 1.55 H new ATOM 0 HD3 LYS A 50 6.630 3.008 -0.930 1.00 1.55 H new ATOM 0 HE2 LYS A 50 8.623 3.571 -2.331 1.00 1.63 H new ATOM 0 HE3 LYS A 50 8.123 5.251 -2.369 1.00 1.63 H new ATOM 0 HZ1 LYS A 50 9.795 4.378 -0.580 1.00 2.57 H new ATOM 0 HZ2 LYS A 50 8.645 5.564 -0.186 1.00 2.57 H new ATOM 0 HZ3 LYS A 50 8.377 3.944 0.247 1.00 2.57 H new ATOM 764 N PHE A 51 1.900 1.605 -2.618 1.00 0.89 N ATOM 765 CA PHE A 51 0.658 1.302 -1.897 1.00 0.91 C ATOM 766 C PHE A 51 0.750 1.851 -0.454 1.00 0.91 C ATOM 767 O PHE A 51 1.638 1.422 0.284 1.00 1.01 O ATOM 768 CB PHE A 51 0.407 -0.217 -1.932 1.00 0.91 C ATOM 769 CG PHE A 51 0.362 -0.801 -3.336 1.00 0.80 C ATOM 770 CD1 PHE A 51 1.554 -1.202 -3.966 1.00 2.14 C ATOM 771 CD2 PHE A 51 -0.856 -0.914 -4.031 1.00 2.05 C ATOM 772 CE1 PHE A 51 1.542 -1.673 -5.289 1.00 2.31 C ATOM 773 CE2 PHE A 51 -0.870 -1.419 -5.345 1.00 1.87 C ATOM 774 CZ PHE A 51 0.327 -1.783 -5.982 1.00 0.82 C ATOM 0 H PHE A 51 2.568 0.834 -2.610 1.00 0.89 H new ATOM 0 HA PHE A 51 -0.192 1.788 -2.376 1.00 0.91 H new ATOM 0 HB2 PHE A 51 1.192 -0.718 -1.365 1.00 0.91 H new ATOM 0 HB3 PHE A 51 -0.536 -0.431 -1.429 1.00 0.91 H new ATOM 0 HD1 PHE A 51 2.488 -1.147 -3.427 1.00 2.14 H new ATOM 0 HD2 PHE A 51 -1.779 -0.614 -3.557 1.00 2.05 H new ATOM 0 HE1 PHE A 51 2.467 -1.950 -5.772 1.00 2.31 H new ATOM 0 HE2 PHE A 51 -1.809 -1.527 -5.867 1.00 1.87 H new ATOM 0 HZ PHE A 51 0.313 -2.145 -6.999 1.00 0.82 H new ATOM 784 N PRO A 52 -0.116 2.787 -0.008 1.00 0.80 N ATOM 785 CA PRO A 52 0.077 3.490 1.270 1.00 0.74 C ATOM 786 C PRO A 52 -0.430 2.743 2.522 1.00 0.69 C ATOM 787 O PRO A 52 -0.024 3.078 3.636 1.00 0.71 O ATOM 788 CB PRO A 52 -0.638 4.834 1.086 1.00 0.75 C ATOM 789 CG PRO A 52 -1.774 4.503 0.117 1.00 0.77 C ATOM 790 CD PRO A 52 -1.154 3.444 -0.794 1.00 0.79 C ATOM 0 HA PRO A 52 1.143 3.588 1.474 1.00 0.74 H new ATOM 0 HB2 PRO A 52 -1.017 5.220 2.032 1.00 0.75 H new ATOM 0 HB3 PRO A 52 0.030 5.592 0.677 1.00 0.75 H new ATOM 0 HG2 PRO A 52 -2.651 4.122 0.639 1.00 0.77 H new ATOM 0 HG3 PRO A 52 -2.094 5.381 -0.445 1.00 0.77 H new ATOM 0 HD2 PRO A 52 -1.905 2.726 -1.124 1.00 0.79 H new ATOM 0 HD3 PRO A 52 -0.733 3.900 -1.690 1.00 0.79 H new ATOM 798 N VAL A 53 -1.296 1.739 2.355 1.00 0.70 N ATOM 799 CA VAL A 53 -1.924 0.896 3.398 1.00 0.74 C ATOM 800 C VAL A 53 -2.265 -0.471 2.775 1.00 0.72 C ATOM 801 O VAL A 53 -2.286 -0.588 1.548 1.00 0.77 O ATOM 802 CB VAL A 53 -3.185 1.533 4.027 1.00 0.90 C ATOM 803 CG1 VAL A 53 -2.821 2.491 5.169 1.00 1.20 C ATOM 804 CG2 VAL A 53 -4.062 2.291 3.025 1.00 0.97 C ATOM 0 H VAL A 53 -1.605 1.468 1.421 1.00 0.70 H new ATOM 0 HA VAL A 53 -1.211 0.787 4.215 1.00 0.74 H new ATOM 0 HB VAL A 53 -3.759 0.687 4.405 1.00 0.90 H new ATOM 0 HG11 VAL A 53 -3.731 2.920 5.588 1.00 1.20 H new ATOM 0 HG12 VAL A 53 -2.287 1.944 5.946 1.00 1.20 H new ATOM 0 HG13 VAL A 53 -2.186 3.290 4.785 1.00 1.20 H new ATOM 0 HG21 VAL A 53 -4.926 2.709 3.541 1.00 0.97 H new ATOM 0 HG22 VAL A 53 -3.484 3.097 2.573 1.00 0.97 H new ATOM 0 HG23 VAL A 53 -4.400 1.607 2.247 1.00 0.97 H new ATOM 814 N ASP A 54 -2.478 -1.520 3.580 1.00 0.83 N ATOM 815 CA ASP A 54 -2.758 -2.871 3.052 1.00 0.85 C ATOM 816 C ASP A 54 -4.239 -3.064 2.659 1.00 0.88 C ATOM 817 O ASP A 54 -5.140 -2.561 3.334 1.00 1.01 O ATOM 818 CB ASP A 54 -2.176 -3.972 3.965 1.00 0.91 C ATOM 819 CG ASP A 54 -3.130 -4.567 5.004 1.00 1.03 C ATOM 820 OD1 ASP A 54 -3.852 -5.526 4.652 1.00 1.92 O ATOM 821 OD2 ASP A 54 -3.079 -4.185 6.196 1.00 1.65 O ATOM 0 H ASP A 54 -2.463 -1.464 4.598 1.00 0.83 H new ATOM 0 HA ASP A 54 -2.224 -2.975 2.108 1.00 0.85 H new ATOM 0 HB2 ASP A 54 -1.810 -4.782 3.334 1.00 0.91 H new ATOM 0 HB3 ASP A 54 -1.313 -3.561 4.489 1.00 0.91 H new ATOM 826 N GLY A 55 -4.501 -3.767 1.550 1.00 0.80 N ATOM 827 CA GLY A 55 -5.849 -3.868 0.971 1.00 0.78 C ATOM 828 C GLY A 55 -5.920 -4.644 -0.351 1.00 0.68 C ATOM 829 O GLY A 55 -5.146 -5.576 -0.579 1.00 0.81 O ATOM 0 H GLY A 55 -3.789 -4.280 1.030 1.00 0.80 H new ATOM 0 HA2 GLY A 55 -6.506 -4.349 1.695 1.00 0.78 H new ATOM 0 HA3 GLY A 55 -6.236 -2.862 0.808 1.00 0.78 H new ATOM 833 N ARG A 56 -6.864 -4.258 -1.220 1.00 0.67 N ATOM 834 CA ARG A 56 -7.227 -4.988 -2.456 1.00 0.64 C ATOM 835 C ARG A 56 -7.310 -4.096 -3.706 1.00 0.62 C ATOM 836 O ARG A 56 -7.698 -2.938 -3.636 1.00 0.73 O ATOM 837 CB ARG A 56 -8.491 -5.825 -2.162 1.00 0.73 C ATOM 838 CG ARG A 56 -9.283 -6.325 -3.386 1.00 0.95 C ATOM 839 CD ARG A 56 -10.409 -7.299 -3.008 1.00 0.98 C ATOM 840 NE ARG A 56 -11.303 -6.729 -1.987 1.00 1.84 N ATOM 841 CZ ARG A 56 -12.473 -6.143 -2.142 1.00 2.99 C ATOM 842 NH1 ARG A 56 -13.150 -6.153 -3.252 1.00 3.90 N ATOM 843 NH2 ARG A 56 -12.992 -5.523 -1.130 1.00 4.02 N ATOM 0 H ARG A 56 -7.414 -3.409 -1.085 1.00 0.67 H new ATOM 0 HA ARG A 56 -6.421 -5.670 -2.729 1.00 0.64 H new ATOM 0 HB2 ARG A 56 -8.197 -6.691 -1.569 1.00 0.73 H new ATOM 0 HB3 ARG A 56 -9.160 -5.227 -1.543 1.00 0.73 H new ATOM 0 HG2 ARG A 56 -9.709 -5.470 -3.911 1.00 0.95 H new ATOM 0 HG3 ARG A 56 -8.600 -6.817 -4.079 1.00 0.95 H new ATOM 0 HD2 ARG A 56 -10.986 -7.550 -3.898 1.00 0.98 H new ATOM 0 HD3 ARG A 56 -9.977 -8.228 -2.636 1.00 0.98 H new ATOM 0 HE ARG A 56 -10.970 -6.797 -1.025 1.00 1.84 H new ATOM 0 HH11 ARG A 56 -12.780 -6.635 -4.071 1.00 3.90 H new ATOM 0 HH12 ARG A 56 -14.051 -5.678 -3.304 1.00 3.90 H new ATOM 0 HH21 ARG A 56 -12.496 -5.496 -0.239 1.00 4.02 H new ATOM 0 HH22 ARG A 56 -13.897 -5.061 -1.224 1.00 4.02 H new ATOM 857 N VAL A 57 -6.928 -4.654 -4.856 1.00 0.55 N ATOM 858 CA VAL A 57 -6.900 -4.040 -6.197 1.00 0.52 C ATOM 859 C VAL A 57 -8.183 -4.418 -6.943 1.00 0.52 C ATOM 860 O VAL A 57 -8.468 -5.610 -7.073 1.00 0.56 O ATOM 861 CB VAL A 57 -5.669 -4.541 -7.003 1.00 0.54 C ATOM 862 CG1 VAL A 57 -5.407 -3.676 -8.245 1.00 0.69 C ATOM 863 CG2 VAL A 57 -4.369 -4.579 -6.183 1.00 0.75 C ATOM 0 H VAL A 57 -6.604 -5.621 -4.883 1.00 0.55 H new ATOM 0 HA VAL A 57 -6.829 -2.958 -6.091 1.00 0.52 H new ATOM 0 HB VAL A 57 -5.934 -5.558 -7.291 1.00 0.54 H new ATOM 0 HG11 VAL A 57 -4.538 -4.061 -8.780 1.00 0.69 H new ATOM 0 HG12 VAL A 57 -6.278 -3.706 -8.899 1.00 0.69 H new ATOM 0 HG13 VAL A 57 -5.218 -2.647 -7.939 1.00 0.69 H new ATOM 0 HG21 VAL A 57 -3.553 -4.938 -6.810 1.00 0.75 H new ATOM 0 HG22 VAL A 57 -4.136 -3.577 -5.824 1.00 0.75 H new ATOM 0 HG23 VAL A 57 -4.495 -5.249 -5.332 1.00 0.75 H new ATOM 873 N ILE A 58 -8.952 -3.448 -7.454 1.00 0.53 N ATOM 874 CA ILE A 58 -10.208 -3.714 -8.201 1.00 0.60 C ATOM 875 C ILE A 58 -10.399 -2.806 -9.433 1.00 0.66 C ATOM 876 O ILE A 58 -11.521 -2.519 -9.858 1.00 0.77 O ATOM 877 CB ILE A 58 -11.442 -3.669 -7.257 1.00 0.63 C ATOM 878 CG1 ILE A 58 -11.363 -2.461 -6.297 1.00 0.67 C ATOM 879 CG2 ILE A 58 -11.595 -4.991 -6.489 1.00 0.63 C ATOM 880 CD1 ILE A 58 -12.710 -2.096 -5.666 1.00 0.78 C ATOM 0 H ILE A 58 -8.730 -2.456 -7.367 1.00 0.53 H new ATOM 0 HA ILE A 58 -10.116 -4.726 -8.596 1.00 0.60 H new ATOM 0 HB ILE A 58 -12.333 -3.541 -7.871 1.00 0.63 H new ATOM 0 HG12 ILE A 58 -10.647 -2.682 -5.505 1.00 0.67 H new ATOM 0 HG13 ILE A 58 -10.980 -1.598 -6.842 1.00 0.67 H new ATOM 0 HG21 ILE A 58 -12.466 -4.934 -5.836 1.00 0.63 H new ATOM 0 HG22 ILE A 58 -11.726 -5.810 -7.197 1.00 0.63 H new ATOM 0 HG23 ILE A 58 -10.702 -5.169 -5.889 1.00 0.63 H new ATOM 0 HD11 ILE A 58 -12.581 -1.240 -5.004 1.00 0.78 H new ATOM 0 HD12 ILE A 58 -13.423 -1.844 -6.451 1.00 0.78 H new ATOM 0 HD13 ILE A 58 -13.085 -2.944 -5.094 1.00 0.78 H new ATOM 892 N GLU A 59 -9.296 -2.431 -10.076 1.00 0.65 N ATOM 893 CA GLU A 59 -9.231 -1.819 -11.408 1.00 0.73 C ATOM 894 C GLU A 59 -7.766 -1.830 -11.872 1.00 0.73 C ATOM 895 O GLU A 59 -6.886 -1.480 -11.081 1.00 0.72 O ATOM 896 CB GLU A 59 -9.775 -0.374 -11.420 1.00 0.78 C ATOM 897 CG GLU A 59 -10.081 0.066 -12.860 1.00 1.04 C ATOM 898 CD GLU A 59 -10.747 1.443 -12.923 1.00 2.38 C ATOM 899 OE1 GLU A 59 -11.955 1.550 -12.594 1.00 3.29 O ATOM 900 OE2 GLU A 59 -10.092 2.428 -13.343 1.00 3.56 O ATOM 0 H GLU A 59 -8.371 -2.551 -9.662 1.00 0.65 H new ATOM 0 HA GLU A 59 -9.860 -2.397 -12.084 1.00 0.73 H new ATOM 0 HB2 GLU A 59 -10.679 -0.313 -10.814 1.00 0.78 H new ATOM 0 HB3 GLU A 59 -9.045 0.301 -10.973 1.00 0.78 H new ATOM 0 HG2 GLU A 59 -9.155 0.087 -13.435 1.00 1.04 H new ATOM 0 HG3 GLU A 59 -10.732 -0.671 -13.331 1.00 1.04 H new ATOM 907 N GLY A 60 -7.502 -2.189 -13.129 1.00 0.75 N ATOM 908 CA GLY A 60 -6.159 -2.176 -13.715 1.00 0.72 C ATOM 909 C GLY A 60 -5.290 -3.391 -13.357 1.00 0.75 C ATOM 910 O GLY A 60 -5.699 -4.309 -12.647 1.00 0.91 O ATOM 0 H GLY A 60 -8.224 -2.501 -13.778 1.00 0.75 H new ATOM 0 HA2 GLY A 60 -6.251 -2.120 -14.800 1.00 0.72 H new ATOM 0 HA3 GLY A 60 -5.645 -1.271 -13.391 1.00 0.72 H new ATOM 914 N HIS A 61 -4.069 -3.400 -13.893 1.00 0.65 N ATOM 915 CA HIS A 61 -3.162 -4.557 -13.852 1.00 0.68 C ATOM 916 C HIS A 61 -1.679 -4.155 -13.957 1.00 0.61 C ATOM 917 O HIS A 61 -1.253 -3.485 -14.898 1.00 0.95 O ATOM 918 CB HIS A 61 -3.567 -5.570 -14.942 1.00 0.90 C ATOM 919 CG HIS A 61 -3.686 -4.992 -16.331 1.00 1.07 C ATOM 920 ND1 HIS A 61 -4.845 -4.569 -16.949 1.00 2.04 N ATOM 921 CD2 HIS A 61 -2.665 -4.797 -17.221 1.00 1.45 C ATOM 922 CE1 HIS A 61 -4.528 -4.102 -18.166 1.00 2.02 C ATOM 923 NE2 HIS A 61 -3.207 -4.233 -18.383 1.00 1.62 N ATOM 0 H HIS A 61 -3.673 -2.594 -14.376 1.00 0.65 H new ATOM 0 HA HIS A 61 -3.264 -5.032 -12.876 1.00 0.68 H new ATOM 0 HB2 HIS A 61 -2.833 -6.375 -14.961 1.00 0.90 H new ATOM 0 HB3 HIS A 61 -4.523 -6.016 -14.666 1.00 0.90 H new ATOM 0 HD2 HIS A 61 -1.625 -5.036 -17.056 1.00 1.45 H new ATOM 0 HE1 HIS A 61 -5.231 -3.682 -18.870 1.00 2.02 H new ATOM 0 HE2 HIS A 61 -2.699 -3.973 -19.228 1.00 1.62 H new ATOM 931 N SER A 62 -0.885 -4.559 -12.967 1.00 0.51 N ATOM 932 CA SER A 62 0.480 -4.120 -12.723 1.00 0.50 C ATOM 933 C SER A 62 1.433 -5.261 -12.339 1.00 0.57 C ATOM 934 O SER A 62 1.039 -6.430 -12.240 1.00 0.97 O ATOM 935 CB SER A 62 0.385 -3.187 -11.521 1.00 0.80 C ATOM 936 OG SER A 62 -0.145 -3.898 -10.412 1.00 3.18 O ATOM 0 H SER A 62 -1.199 -5.241 -12.276 1.00 0.51 H new ATOM 0 HA SER A 62 0.877 -3.668 -13.632 1.00 0.50 H new ATOM 0 HB2 SER A 62 1.370 -2.791 -11.276 1.00 0.80 H new ATOM 0 HB3 SER A 62 -0.251 -2.334 -11.758 1.00 0.80 H new ATOM 0 HG SER A 62 0.330 -3.634 -9.597 1.00 3.18 H new ATOM 942 N MET A 63 2.693 -4.896 -12.087 1.00 0.50 N ATOM 943 CA MET A 63 3.711 -5.719 -11.444 1.00 0.52 C ATOM 944 C MET A 63 4.336 -4.922 -10.281 1.00 0.52 C ATOM 945 O MET A 63 4.610 -3.726 -10.412 1.00 0.62 O ATOM 946 CB MET A 63 4.720 -6.201 -12.492 1.00 0.59 C ATOM 947 CG MET A 63 5.698 -7.222 -11.904 1.00 0.66 C ATOM 948 SD MET A 63 6.399 -8.376 -13.115 1.00 0.80 S ATOM 949 CE MET A 63 4.990 -9.495 -13.339 1.00 0.81 C ATOM 0 H MET A 63 3.044 -3.972 -12.340 1.00 0.50 H new ATOM 0 HA MET A 63 3.281 -6.621 -11.008 1.00 0.52 H new ATOM 0 HB2 MET A 63 4.188 -6.648 -13.332 1.00 0.59 H new ATOM 0 HB3 MET A 63 5.275 -5.348 -12.883 1.00 0.59 H new ATOM 0 HG2 MET A 63 6.513 -6.687 -11.417 1.00 0.66 H new ATOM 0 HG3 MET A 63 5.185 -7.794 -11.131 1.00 0.66 H new ATOM 0 HE1 MET A 63 5.270 -10.301 -14.017 1.00 0.81 H new ATOM 0 HE2 MET A 63 4.702 -9.915 -12.375 1.00 0.81 H new ATOM 0 HE3 MET A 63 4.150 -8.942 -13.759 1.00 0.81 H new ATOM 959 N VAL A 64 4.502 -5.582 -9.130 1.00 0.52 N ATOM 960 CA VAL A 64 4.852 -4.963 -7.837 1.00 0.52 C ATOM 961 C VAL A 64 6.122 -5.569 -7.234 1.00 0.60 C ATOM 962 O VAL A 64 6.296 -6.787 -7.259 1.00 0.67 O ATOM 963 CB VAL A 64 3.667 -5.093 -6.853 1.00 0.55 C ATOM 964 CG1 VAL A 64 3.960 -4.463 -5.484 1.00 0.60 C ATOM 965 CG2 VAL A 64 2.401 -4.433 -7.420 1.00 0.51 C ATOM 0 H VAL A 64 4.394 -6.594 -9.065 1.00 0.52 H new ATOM 0 HA VAL A 64 5.056 -3.908 -8.018 1.00 0.52 H new ATOM 0 HB VAL A 64 3.512 -6.164 -6.721 1.00 0.55 H new ATOM 0 HG11 VAL A 64 3.093 -4.584 -4.835 1.00 0.60 H new ATOM 0 HG12 VAL A 64 4.822 -4.955 -5.034 1.00 0.60 H new ATOM 0 HG13 VAL A 64 4.173 -3.402 -5.610 1.00 0.60 H new ATOM 0 HG21 VAL A 64 1.584 -4.540 -6.706 1.00 0.51 H new ATOM 0 HG22 VAL A 64 2.591 -3.375 -7.598 1.00 0.51 H new ATOM 0 HG23 VAL A 64 2.128 -4.915 -8.359 1.00 0.51 H new ATOM 975 N ASP A 65 6.982 -4.727 -6.653 1.00 0.61 N ATOM 976 CA ASP A 65 8.214 -5.117 -5.955 1.00 0.68 C ATOM 977 C ASP A 65 8.031 -5.075 -4.425 1.00 0.75 C ATOM 978 O ASP A 65 7.903 -4.005 -3.817 1.00 0.83 O ATOM 979 CB ASP A 65 9.356 -4.207 -6.434 1.00 0.77 C ATOM 980 CG ASP A 65 10.690 -4.472 -5.730 1.00 0.84 C ATOM 981 OD1 ASP A 65 11.044 -5.649 -5.481 1.00 1.45 O ATOM 982 OD2 ASP A 65 11.419 -3.494 -5.445 1.00 1.91 O ATOM 0 H ASP A 65 6.835 -3.718 -6.655 1.00 0.61 H new ATOM 0 HA ASP A 65 8.464 -6.150 -6.195 1.00 0.68 H new ATOM 0 HB2 ASP A 65 9.489 -4.340 -7.508 1.00 0.77 H new ATOM 0 HB3 ASP A 65 9.071 -3.167 -6.275 1.00 0.77 H new ATOM 987 N GLU A 66 8.027 -6.254 -3.801 1.00 0.81 N ATOM 988 CA GLU A 66 7.831 -6.474 -2.358 1.00 0.93 C ATOM 989 C GLU A 66 9.024 -7.192 -1.685 1.00 0.96 C ATOM 990 O GLU A 66 8.878 -7.772 -0.607 1.00 1.01 O ATOM 991 CB GLU A 66 6.461 -7.144 -2.098 1.00 1.01 C ATOM 992 CG GLU A 66 6.234 -8.466 -2.847 1.00 1.47 C ATOM 993 CD GLU A 66 5.020 -9.238 -2.308 1.00 1.49 C ATOM 994 OE1 GLU A 66 3.891 -8.685 -2.247 1.00 1.55 O ATOM 995 OE2 GLU A 66 5.169 -10.430 -1.953 1.00 2.49 O ATOM 0 H GLU A 66 8.167 -7.127 -4.309 1.00 0.81 H new ATOM 0 HA GLU A 66 7.806 -5.501 -1.868 1.00 0.93 H new ATOM 0 HB2 GLU A 66 6.360 -7.328 -1.028 1.00 1.01 H new ATOM 0 HB3 GLU A 66 5.672 -6.445 -2.377 1.00 1.01 H new ATOM 0 HG2 GLU A 66 6.090 -8.260 -3.908 1.00 1.47 H new ATOM 0 HG3 GLU A 66 7.125 -9.088 -2.761 1.00 1.47 H new ATOM 1002 N SER A 67 10.222 -7.133 -2.288 1.00 1.01 N ATOM 1003 CA SER A 67 11.438 -7.839 -1.843 1.00 1.11 C ATOM 1004 C SER A 67 11.838 -7.617 -0.378 1.00 1.08 C ATOM 1005 O SER A 67 12.452 -8.505 0.213 1.00 1.15 O ATOM 1006 CB SER A 67 12.626 -7.437 -2.726 1.00 1.28 C ATOM 1007 OG SER A 67 12.983 -6.085 -2.506 1.00 1.60 O ATOM 0 H SER A 67 10.378 -6.574 -3.127 1.00 1.01 H new ATOM 0 HA SER A 67 11.187 -8.896 -1.935 1.00 1.11 H new ATOM 0 HB2 SER A 67 13.478 -8.082 -2.512 1.00 1.28 H new ATOM 0 HB3 SER A 67 12.371 -7.584 -3.775 1.00 1.28 H new ATOM 0 HG SER A 67 13.744 -5.850 -3.078 1.00 1.60 H new ATOM 1013 N LEU A 68 11.504 -6.474 0.226 1.00 1.11 N ATOM 1014 CA LEU A 68 11.759 -6.199 1.648 1.00 1.13 C ATOM 1015 C LEU A 68 10.594 -6.669 2.535 1.00 1.13 C ATOM 1016 O LEU A 68 10.816 -7.167 3.637 1.00 1.20 O ATOM 1017 CB LEU A 68 12.046 -4.686 1.762 1.00 1.14 C ATOM 1018 CG LEU A 68 12.507 -4.083 3.107 1.00 1.12 C ATOM 1019 CD1 LEU A 68 11.421 -4.019 4.183 1.00 1.16 C ATOM 1020 CD2 LEU A 68 13.737 -4.783 3.678 1.00 1.04 C ATOM 0 H LEU A 68 11.044 -5.704 -0.260 1.00 1.11 H new ATOM 0 HA LEU A 68 12.619 -6.761 2.013 1.00 1.13 H new ATOM 0 HB2 LEU A 68 12.808 -4.445 1.021 1.00 1.14 H new ATOM 0 HB3 LEU A 68 11.137 -4.161 1.467 1.00 1.14 H new ATOM 0 HG LEU A 68 12.764 -3.057 2.845 1.00 1.12 H new ATOM 0 HD11 LEU A 68 11.835 -3.582 5.092 1.00 1.16 H new ATOM 0 HD12 LEU A 68 10.594 -3.404 3.829 1.00 1.16 H new ATOM 0 HD13 LEU A 68 11.060 -5.025 4.396 1.00 1.16 H new ATOM 0 HD21 LEU A 68 14.015 -4.317 4.623 1.00 1.04 H new ATOM 0 HD22 LEU A 68 13.511 -5.836 3.845 1.00 1.04 H new ATOM 0 HD23 LEU A 68 14.564 -4.697 2.974 1.00 1.04 H new ATOM 1032 N ILE A 69 9.355 -6.567 2.045 1.00 1.10 N ATOM 1033 CA ILE A 69 8.149 -6.924 2.803 1.00 1.13 C ATOM 1034 C ILE A 69 8.057 -8.445 2.991 1.00 1.25 C ATOM 1035 O ILE A 69 7.840 -8.920 4.108 1.00 1.22 O ATOM 1036 CB ILE A 69 6.873 -6.376 2.121 1.00 1.13 C ATOM 1037 CG1 ILE A 69 6.931 -4.873 1.754 1.00 1.06 C ATOM 1038 CG2 ILE A 69 5.651 -6.663 3.013 1.00 1.19 C ATOM 1039 CD1 ILE A 69 6.928 -3.914 2.949 1.00 0.95 C ATOM 0 H ILE A 69 9.158 -6.231 1.102 1.00 1.10 H new ATOM 0 HA ILE A 69 8.224 -6.460 3.787 1.00 1.13 H new ATOM 0 HB ILE A 69 6.789 -6.899 1.168 1.00 1.13 H new ATOM 0 HG12 ILE A 69 7.830 -4.693 1.165 1.00 1.06 H new ATOM 0 HG13 ILE A 69 6.079 -4.637 1.116 1.00 1.06 H new ATOM 0 HG21 ILE A 69 4.752 -6.277 2.533 1.00 1.19 H new ATOM 0 HG22 ILE A 69 5.552 -7.739 3.159 1.00 1.19 H new ATOM 0 HG23 ILE A 69 5.784 -6.177 3.979 1.00 1.19 H new ATOM 0 HD11 ILE A 69 6.971 -2.886 2.590 1.00 0.95 H new ATOM 0 HD12 ILE A 69 6.017 -4.058 3.529 1.00 0.95 H new ATOM 0 HD13 ILE A 69 7.795 -4.115 3.579 1.00 0.95 H new ATOM 1051 N THR A 70 8.248 -9.218 1.918 1.00 1.45 N ATOM 1052 CA THR A 70 8.032 -10.681 1.883 1.00 1.55 C ATOM 1053 C THR A 70 9.284 -11.492 1.531 1.00 1.62 C ATOM 1054 O THR A 70 9.252 -12.725 1.557 1.00 1.74 O ATOM 1055 CB THR A 70 6.907 -11.015 0.895 1.00 1.44 C ATOM 1056 OG1 THR A 70 7.274 -10.518 -0.365 1.00 1.59 O ATOM 1057 CG2 THR A 70 5.580 -10.365 1.282 1.00 1.50 C ATOM 0 H THR A 70 8.565 -8.842 1.024 1.00 1.45 H new ATOM 0 HA THR A 70 7.758 -10.970 2.898 1.00 1.55 H new ATOM 0 HB THR A 70 6.770 -12.096 0.896 1.00 1.44 H new ATOM 0 HG1 THR A 70 6.526 -10.623 -0.989 1.00 1.59 H new ATOM 0 HG21 THR A 70 4.817 -10.632 0.551 1.00 1.50 H new ATOM 0 HG22 THR A 70 5.277 -10.716 2.268 1.00 1.50 H new ATOM 0 HG23 THR A 70 5.698 -9.282 1.303 1.00 1.50 H new ATOM 1065 N GLY A 71 10.398 -10.828 1.209 1.00 1.59 N ATOM 1066 CA GLY A 71 11.699 -11.460 0.939 1.00 1.65 C ATOM 1067 C GLY A 71 11.863 -12.052 -0.471 1.00 1.64 C ATOM 1068 O GLY A 71 12.890 -12.666 -0.761 1.00 1.85 O ATOM 0 H GLY A 71 10.424 -9.812 1.126 1.00 1.59 H new ATOM 0 HA2 GLY A 71 12.484 -10.720 1.098 1.00 1.65 H new ATOM 0 HA3 GLY A 71 11.857 -12.254 1.669 1.00 1.65 H new ATOM 1072 N GLU A 72 10.865 -11.900 -1.351 1.00 1.48 N ATOM 1073 CA GLU A 72 10.796 -12.592 -2.650 1.00 1.37 C ATOM 1074 C GLU A 72 12.016 -12.361 -3.555 1.00 1.52 C ATOM 1075 O GLU A 72 12.613 -13.335 -4.028 1.00 2.72 O ATOM 1076 CB GLU A 72 9.525 -12.165 -3.408 1.00 1.38 C ATOM 1077 CG GLU A 72 8.232 -12.727 -2.805 1.00 1.31 C ATOM 1078 CD GLU A 72 8.213 -14.253 -2.837 1.00 1.46 C ATOM 1079 OE1 GLU A 72 8.272 -14.831 -3.951 1.00 2.33 O ATOM 1080 OE2 GLU A 72 8.181 -14.886 -1.752 1.00 2.17 O ATOM 0 H GLU A 72 10.070 -11.284 -1.181 1.00 1.48 H new ATOM 0 HA GLU A 72 10.777 -13.656 -2.413 1.00 1.37 H new ATOM 0 HB2 GLU A 72 9.467 -11.077 -3.419 1.00 1.38 H new ATOM 0 HB3 GLU A 72 9.604 -12.491 -4.445 1.00 1.38 H new ATOM 0 HG2 GLU A 72 8.131 -12.383 -1.776 1.00 1.31 H new ATOM 0 HG3 GLU A 72 7.375 -12.340 -3.356 1.00 1.31 H new ATOM 1087 N ALA A 73 12.384 -11.097 -3.804 1.00 1.47 N ATOM 1088 CA ALA A 73 13.382 -10.731 -4.823 1.00 1.46 C ATOM 1089 C ALA A 73 12.975 -11.225 -6.232 1.00 1.08 C ATOM 1090 O ALA A 73 13.800 -11.624 -7.049 1.00 1.35 O ATOM 1091 CB ALA A 73 14.796 -11.122 -4.365 1.00 1.90 C ATOM 0 H ALA A 73 11.998 -10.296 -3.304 1.00 1.47 H new ATOM 0 HA ALA A 73 13.409 -9.646 -4.928 1.00 1.46 H new ATOM 0 HB1 ALA A 73 15.517 -10.843 -5.133 1.00 1.90 H new ATOM 0 HB2 ALA A 73 15.034 -10.603 -3.437 1.00 1.90 H new ATOM 0 HB3 ALA A 73 14.840 -12.199 -4.200 1.00 1.90 H new ATOM 1097 N MET A 74 11.663 -11.229 -6.477 1.00 0.95 N ATOM 1098 CA MET A 74 10.962 -11.613 -7.701 1.00 0.78 C ATOM 1099 C MET A 74 9.621 -10.853 -7.681 1.00 0.69 C ATOM 1100 O MET A 74 8.813 -11.115 -6.778 1.00 0.76 O ATOM 1101 CB MET A 74 10.709 -13.134 -7.712 1.00 0.99 C ATOM 1102 CG MET A 74 11.691 -13.900 -8.600 1.00 2.00 C ATOM 1103 SD MET A 74 11.411 -13.687 -10.379 1.00 2.97 S ATOM 1104 CE MET A 74 12.359 -15.092 -11.030 1.00 3.82 C ATOM 0 H MET A 74 11.005 -10.936 -5.755 1.00 0.95 H new ATOM 0 HA MET A 74 11.546 -11.370 -8.589 1.00 0.78 H new ATOM 0 HB2 MET A 74 10.777 -13.515 -6.693 1.00 0.99 H new ATOM 0 HB3 MET A 74 9.693 -13.325 -8.056 1.00 0.99 H new ATOM 0 HG2 MET A 74 12.705 -13.578 -8.363 1.00 2.00 H new ATOM 0 HG3 MET A 74 11.629 -14.961 -8.359 1.00 2.00 H new ATOM 0 HE1 MET A 74 12.289 -15.105 -12.118 1.00 3.82 H new ATOM 0 HE2 MET A 74 13.404 -14.994 -10.734 1.00 3.82 H new ATOM 0 HE3 MET A 74 11.954 -16.021 -10.629 1.00 3.82 H new ATOM 1114 N PRO A 75 9.374 -9.893 -8.590 1.00 0.71 N ATOM 1115 CA PRO A 75 8.142 -9.098 -8.597 1.00 0.72 C ATOM 1116 C PRO A 75 6.861 -9.920 -8.818 1.00 0.63 C ATOM 1117 O PRO A 75 6.883 -10.986 -9.443 1.00 0.65 O ATOM 1118 CB PRO A 75 8.349 -8.032 -9.674 1.00 0.93 C ATOM 1119 CG PRO A 75 9.863 -7.840 -9.674 1.00 1.48 C ATOM 1120 CD PRO A 75 10.358 -9.270 -9.467 1.00 0.96 C ATOM 0 HA PRO A 75 7.976 -8.656 -7.615 1.00 0.72 H new ATOM 0 HB2 PRO A 75 7.983 -8.363 -10.646 1.00 0.93 H new ATOM 0 HB3 PRO A 75 7.824 -7.107 -9.434 1.00 0.93 H new ATOM 0 HG2 PRO A 75 10.221 -7.415 -10.611 1.00 1.48 H new ATOM 0 HG3 PRO A 75 10.191 -7.174 -8.876 1.00 1.48 H new ATOM 0 HD2 PRO A 75 10.433 -9.802 -10.416 1.00 0.96 H new ATOM 0 HD3 PRO A 75 11.350 -9.282 -9.016 1.00 0.96 H new ATOM 1128 N VAL A 76 5.731 -9.425 -8.308 1.00 0.60 N ATOM 1129 CA VAL A 76 4.437 -10.140 -8.261 1.00 0.58 C ATOM 1130 C VAL A 76 3.386 -9.427 -9.117 1.00 0.54 C ATOM 1131 O VAL A 76 3.290 -8.199 -9.092 1.00 0.55 O ATOM 1132 CB VAL A 76 3.948 -10.320 -6.805 1.00 0.62 C ATOM 1133 CG1 VAL A 76 2.805 -11.342 -6.743 1.00 0.72 C ATOM 1134 CG2 VAL A 76 5.053 -10.820 -5.860 1.00 0.68 C ATOM 0 H VAL A 76 5.681 -8.490 -7.903 1.00 0.60 H new ATOM 0 HA VAL A 76 4.589 -11.135 -8.680 1.00 0.58 H new ATOM 0 HB VAL A 76 3.620 -9.332 -6.481 1.00 0.62 H new ATOM 0 HG11 VAL A 76 2.474 -11.455 -5.711 1.00 0.72 H new ATOM 0 HG12 VAL A 76 1.973 -10.994 -7.355 1.00 0.72 H new ATOM 0 HG13 VAL A 76 3.155 -12.303 -7.119 1.00 0.72 H new ATOM 0 HG21 VAL A 76 4.650 -10.927 -4.853 1.00 0.68 H new ATOM 0 HG22 VAL A 76 5.420 -11.785 -6.208 1.00 0.68 H new ATOM 0 HG23 VAL A 76 5.874 -10.103 -5.848 1.00 0.68 H new ATOM 1144 N ALA A 77 2.593 -10.178 -9.884 1.00 0.56 N ATOM 1145 CA ALA A 77 1.577 -9.628 -10.783 1.00 0.55 C ATOM 1146 C ALA A 77 0.224 -9.418 -10.083 1.00 0.51 C ATOM 1147 O ALA A 77 -0.201 -10.249 -9.273 1.00 0.58 O ATOM 1148 CB ALA A 77 1.438 -10.538 -12.008 1.00 0.64 C ATOM 0 H ALA A 77 2.639 -11.197 -9.898 1.00 0.56 H new ATOM 0 HA ALA A 77 1.905 -8.639 -11.103 1.00 0.55 H new ATOM 0 HB1 ALA A 77 0.682 -10.131 -12.680 1.00 0.64 H new ATOM 0 HB2 ALA A 77 2.394 -10.595 -12.529 1.00 0.64 H new ATOM 0 HB3 ALA A 77 1.139 -11.536 -11.688 1.00 0.64 H new ATOM 1154 N LYS A 78 -0.461 -8.321 -10.432 1.00 0.49 N ATOM 1155 CA LYS A 78 -1.801 -7.959 -9.934 1.00 0.53 C ATOM 1156 C LYS A 78 -2.799 -7.765 -11.081 1.00 0.60 C ATOM 1157 O LYS A 78 -2.419 -7.353 -12.181 1.00 0.68 O ATOM 1158 CB LYS A 78 -1.739 -6.692 -9.056 1.00 0.56 C ATOM 1159 CG LYS A 78 -0.630 -6.657 -7.986 1.00 0.55 C ATOM 1160 CD LYS A 78 -0.837 -7.691 -6.870 1.00 0.54 C ATOM 1161 CE LYS A 78 0.393 -7.758 -5.961 1.00 0.57 C ATOM 1162 NZ LYS A 78 0.162 -8.686 -4.835 1.00 0.65 N ATOM 0 H LYS A 78 -0.088 -7.637 -11.090 1.00 0.49 H new ATOM 0 HA LYS A 78 -2.153 -8.790 -9.323 1.00 0.53 H new ATOM 0 HB2 LYS A 78 -1.612 -5.829 -9.709 1.00 0.56 H new ATOM 0 HB3 LYS A 78 -2.701 -6.574 -8.556 1.00 0.56 H new ATOM 0 HG2 LYS A 78 0.333 -6.835 -8.464 1.00 0.55 H new ATOM 0 HG3 LYS A 78 -0.589 -5.660 -7.547 1.00 0.55 H new ATOM 0 HD2 LYS A 78 -1.716 -7.428 -6.282 1.00 0.54 H new ATOM 0 HD3 LYS A 78 -1.027 -8.672 -7.306 1.00 0.54 H new ATOM 0 HE2 LYS A 78 1.259 -8.085 -6.536 1.00 0.57 H new ATOM 0 HE3 LYS A 78 0.622 -6.764 -5.578 1.00 0.57 H new ATOM 0 HZ1 LYS A 78 1.014 -8.729 -4.241 1.00 0.65 H new ATOM 0 HZ2 LYS A 78 -0.640 -8.348 -4.266 1.00 0.65 H new ATOM 0 HZ3 LYS A 78 -0.051 -9.634 -5.205 1.00 0.65 H new ATOM 1176 N LYS A 79 -4.079 -8.005 -10.794 1.00 0.60 N ATOM 1177 CA LYS A 79 -5.275 -7.832 -11.646 1.00 0.64 C ATOM 1178 C LYS A 79 -6.450 -7.410 -10.734 1.00 0.56 C ATOM 1179 O LYS A 79 -6.292 -7.495 -9.511 1.00 0.56 O ATOM 1180 CB LYS A 79 -5.590 -9.176 -12.347 1.00 0.81 C ATOM 1181 CG LYS A 79 -4.482 -9.670 -13.292 1.00 2.32 C ATOM 1182 CD LYS A 79 -4.893 -10.934 -14.066 1.00 2.54 C ATOM 1183 CE LYS A 79 -5.501 -10.592 -15.430 1.00 3.10 C ATOM 1184 NZ LYS A 79 -5.862 -11.815 -16.184 1.00 3.50 N ATOM 0 H LYS A 79 -4.338 -8.359 -9.873 1.00 0.60 H new ATOM 0 HA LYS A 79 -5.110 -7.071 -12.408 1.00 0.64 H new ATOM 0 HB2 LYS A 79 -5.769 -9.936 -11.587 1.00 0.81 H new ATOM 0 HB3 LYS A 79 -6.515 -9.069 -12.914 1.00 0.81 H new ATOM 0 HG2 LYS A 79 -4.232 -8.879 -13.999 1.00 2.32 H new ATOM 0 HG3 LYS A 79 -3.581 -9.878 -12.714 1.00 2.32 H new ATOM 0 HD2 LYS A 79 -4.022 -11.574 -14.206 1.00 2.54 H new ATOM 0 HD3 LYS A 79 -5.614 -11.502 -13.478 1.00 2.54 H new ATOM 0 HE2 LYS A 79 -6.388 -9.974 -15.290 1.00 3.10 H new ATOM 0 HE3 LYS A 79 -4.790 -10.002 -16.009 1.00 3.10 H new ATOM 0 HZ1 LYS A 79 -6.271 -11.549 -17.102 1.00 3.50 H new ATOM 0 HZ2 LYS A 79 -5.010 -12.392 -16.338 1.00 3.50 H new ATOM 0 HZ3 LYS A 79 -6.559 -12.364 -15.641 1.00 3.50 H new ATOM 1198 N PRO A 80 -7.627 -6.988 -11.240 1.00 0.60 N ATOM 1199 CA PRO A 80 -8.810 -6.817 -10.391 1.00 0.62 C ATOM 1200 C PRO A 80 -9.149 -8.110 -9.621 1.00 0.62 C ATOM 1201 O PRO A 80 -9.182 -9.202 -10.200 1.00 0.77 O ATOM 1202 CB PRO A 80 -9.941 -6.382 -11.332 1.00 0.73 C ATOM 1203 CG PRO A 80 -9.472 -6.862 -12.706 1.00 0.78 C ATOM 1204 CD PRO A 80 -7.963 -6.675 -12.621 1.00 0.74 C ATOM 0 HA PRO A 80 -8.643 -6.068 -9.617 1.00 0.62 H new ATOM 0 HB2 PRO A 80 -10.892 -6.836 -11.052 1.00 0.73 H new ATOM 0 HB3 PRO A 80 -10.085 -5.302 -11.313 1.00 0.73 H new ATOM 0 HG2 PRO A 80 -9.743 -7.902 -12.887 1.00 0.78 H new ATOM 0 HG3 PRO A 80 -9.909 -6.274 -13.513 1.00 0.78 H new ATOM 0 HD2 PRO A 80 -7.443 -7.336 -13.314 1.00 0.74 H new ATOM 0 HD3 PRO A 80 -7.676 -5.655 -12.877 1.00 0.74 H new ATOM 1212 N GLY A 81 -9.401 -7.977 -8.316 1.00 0.60 N ATOM 1213 CA GLY A 81 -9.594 -9.086 -7.373 1.00 0.63 C ATOM 1214 C GLY A 81 -8.306 -9.600 -6.709 1.00 0.60 C ATOM 1215 O GLY A 81 -8.252 -10.766 -6.312 1.00 0.76 O ATOM 0 H GLY A 81 -9.479 -7.063 -7.870 1.00 0.60 H new ATOM 0 HA2 GLY A 81 -10.285 -8.765 -6.593 1.00 0.63 H new ATOM 0 HA3 GLY A 81 -10.070 -9.913 -7.900 1.00 0.63 H new ATOM 1219 N SER A 82 -7.265 -8.767 -6.586 1.00 0.53 N ATOM 1220 CA SER A 82 -5.931 -9.138 -6.058 1.00 0.47 C ATOM 1221 C SER A 82 -5.587 -8.361 -4.778 1.00 0.46 C ATOM 1222 O SER A 82 -6.167 -7.305 -4.543 1.00 0.54 O ATOM 1223 CB SER A 82 -4.886 -8.892 -7.149 1.00 0.47 C ATOM 1224 OG SER A 82 -3.626 -9.405 -6.783 1.00 1.37 O ATOM 0 H SER A 82 -7.322 -7.785 -6.857 1.00 0.53 H new ATOM 0 HA SER A 82 -5.938 -10.194 -5.786 1.00 0.47 H new ATOM 0 HB2 SER A 82 -5.213 -9.357 -8.079 1.00 0.47 H new ATOM 0 HB3 SER A 82 -4.803 -7.822 -7.340 1.00 0.47 H new ATOM 0 HG SER A 82 -3.137 -9.677 -7.588 1.00 1.37 H new ATOM 1230 N THR A 83 -4.665 -8.837 -3.934 1.00 0.50 N ATOM 1231 CA THR A 83 -4.363 -8.254 -2.605 1.00 0.56 C ATOM 1232 C THR A 83 -2.936 -7.712 -2.494 1.00 0.59 C ATOM 1233 O THR A 83 -1.998 -8.234 -3.102 1.00 0.62 O ATOM 1234 CB THR A 83 -4.631 -9.253 -1.466 1.00 0.71 C ATOM 1235 OG1 THR A 83 -3.991 -10.489 -1.708 1.00 0.84 O ATOM 1236 CG2 THR A 83 -6.122 -9.530 -1.297 1.00 0.76 C ATOM 0 H THR A 83 -4.093 -9.653 -4.151 1.00 0.50 H new ATOM 0 HA THR A 83 -5.044 -7.409 -2.502 1.00 0.56 H new ATOM 0 HB THR A 83 -4.235 -8.793 -0.561 1.00 0.71 H new ATOM 0 HG1 THR A 83 -4.177 -11.104 -0.968 1.00 0.84 H new ATOM 0 HG21 THR A 83 -6.270 -10.240 -0.483 1.00 0.76 H new ATOM 0 HG22 THR A 83 -6.641 -8.600 -1.066 1.00 0.76 H new ATOM 0 HG23 THR A 83 -6.521 -9.949 -2.221 1.00 0.76 H new ATOM 1244 N VAL A 84 -2.757 -6.642 -1.715 1.00 0.63 N ATOM 1245 CA VAL A 84 -1.507 -5.869 -1.588 1.00 0.63 C ATOM 1246 C VAL A 84 -1.183 -5.484 -0.140 1.00 0.70 C ATOM 1247 O VAL A 84 -2.071 -5.363 0.714 1.00 0.74 O ATOM 1248 CB VAL A 84 -1.524 -4.606 -2.481 1.00 0.62 C ATOM 1249 CG1 VAL A 84 -1.386 -4.982 -3.960 1.00 0.59 C ATOM 1250 CG2 VAL A 84 -2.784 -3.745 -2.301 1.00 0.67 C ATOM 0 H VAL A 84 -3.506 -6.271 -1.130 1.00 0.63 H new ATOM 0 HA VAL A 84 -0.715 -6.534 -1.932 1.00 0.63 H new ATOM 0 HB VAL A 84 -0.670 -4.010 -2.159 1.00 0.62 H new ATOM 0 HG11 VAL A 84 -1.401 -4.078 -4.568 1.00 0.59 H new ATOM 0 HG12 VAL A 84 -0.444 -5.509 -4.115 1.00 0.59 H new ATOM 0 HG13 VAL A 84 -2.215 -5.628 -4.250 1.00 0.59 H new ATOM 0 HG21 VAL A 84 -2.728 -2.877 -2.958 1.00 0.67 H new ATOM 0 HG22 VAL A 84 -3.666 -4.334 -2.552 1.00 0.67 H new ATOM 0 HG23 VAL A 84 -2.853 -3.413 -1.265 1.00 0.67 H new ATOM 1260 N ILE A 85 0.107 -5.248 0.109 1.00 0.74 N ATOM 1261 CA ILE A 85 0.682 -4.746 1.366 1.00 0.78 C ATOM 1262 C ILE A 85 1.324 -3.363 1.208 1.00 0.74 C ATOM 1263 O ILE A 85 1.873 -3.013 0.159 1.00 0.94 O ATOM 1264 CB ILE A 85 1.664 -5.750 2.026 1.00 0.82 C ATOM 1265 CG1 ILE A 85 2.446 -6.665 1.057 1.00 1.03 C ATOM 1266 CG2 ILE A 85 0.897 -6.636 3.018 1.00 1.00 C ATOM 1267 CD1 ILE A 85 3.315 -5.912 0.049 1.00 0.69 C ATOM 0 H ILE A 85 0.822 -5.410 -0.600 1.00 0.74 H new ATOM 0 HA ILE A 85 -0.162 -4.636 2.047 1.00 0.78 H new ATOM 0 HB ILE A 85 2.413 -5.125 2.512 1.00 0.82 H new ATOM 0 HG12 ILE A 85 3.080 -7.334 1.639 1.00 1.03 H new ATOM 0 HG13 ILE A 85 1.737 -7.290 0.514 1.00 1.03 H new ATOM 0 HG21 ILE A 85 1.585 -7.342 3.483 1.00 1.00 H new ATOM 0 HG22 ILE A 85 0.443 -6.012 3.788 1.00 1.00 H new ATOM 0 HG23 ILE A 85 0.117 -7.184 2.489 1.00 1.00 H new ATOM 0 HD11 ILE A 85 3.830 -6.627 -0.593 1.00 0.69 H new ATOM 0 HD12 ILE A 85 2.686 -5.264 -0.561 1.00 0.69 H new ATOM 0 HD13 ILE A 85 4.050 -5.308 0.582 1.00 0.69 H new ATOM 1279 N ALA A 86 1.242 -2.583 2.285 1.00 0.71 N ATOM 1280 CA ALA A 86 1.735 -1.214 2.362 1.00 0.68 C ATOM 1281 C ALA A 86 3.259 -1.113 2.156 1.00 0.55 C ATOM 1282 O ALA A 86 4.007 -2.015 2.529 1.00 0.52 O ATOM 1283 CB ALA A 86 1.315 -0.647 3.721 1.00 0.84 C ATOM 0 H ALA A 86 0.816 -2.900 3.156 1.00 0.71 H new ATOM 0 HA ALA A 86 1.299 -0.631 1.551 1.00 0.68 H new ATOM 0 HB1 ALA A 86 1.669 0.380 3.812 1.00 0.84 H new ATOM 0 HB2 ALA A 86 0.228 -0.665 3.802 1.00 0.84 H new ATOM 0 HB3 ALA A 86 1.748 -1.252 4.517 1.00 0.84 H new ATOM 1289 N GLY A 87 3.717 -0.003 1.575 1.00 0.56 N ATOM 1290 CA GLY A 87 5.135 0.289 1.337 1.00 0.58 C ATOM 1291 C GLY A 87 5.771 -0.454 0.155 1.00 0.57 C ATOM 1292 O GLY A 87 6.910 -0.155 -0.189 1.00 0.74 O ATOM 0 H GLY A 87 3.097 0.738 1.248 1.00 0.56 H new ATOM 0 HA2 GLY A 87 5.245 1.361 1.172 1.00 0.58 H new ATOM 0 HA3 GLY A 87 5.695 0.047 2.240 1.00 0.58 H new ATOM 1296 N SER A 88 5.056 -1.372 -0.508 1.00 0.49 N ATOM 1297 CA SER A 88 5.544 -2.019 -1.737 1.00 0.50 C ATOM 1298 C SER A 88 5.470 -1.065 -2.939 1.00 0.45 C ATOM 1299 O SER A 88 4.669 -0.123 -2.942 1.00 0.46 O ATOM 1300 CB SER A 88 4.828 -3.351 -1.988 1.00 0.56 C ATOM 1301 OG SER A 88 3.427 -3.205 -2.136 1.00 1.29 O ATOM 0 H SER A 88 4.132 -1.686 -0.213 1.00 0.49 H new ATOM 0 HA SER A 88 6.599 -2.258 -1.598 1.00 0.50 H new ATOM 0 HB2 SER A 88 5.237 -3.814 -2.886 1.00 0.56 H new ATOM 0 HB3 SER A 88 5.032 -4.029 -1.159 1.00 0.56 H new ATOM 0 HG SER A 88 3.008 -3.152 -1.252 1.00 1.29 H new ATOM 1307 N ILE A 89 6.316 -1.282 -3.956 1.00 0.47 N ATOM 1308 CA ILE A 89 6.516 -0.320 -5.057 1.00 0.49 C ATOM 1309 C ILE A 89 5.846 -0.796 -6.352 1.00 0.49 C ATOM 1310 O ILE A 89 6.149 -1.881 -6.855 1.00 0.64 O ATOM 1311 CB ILE A 89 8.014 -0.001 -5.306 1.00 0.61 C ATOM 1312 CG1 ILE A 89 8.961 -0.121 -4.088 1.00 0.70 C ATOM 1313 CG2 ILE A 89 8.105 1.404 -5.931 1.00 0.65 C ATOM 1314 CD1 ILE A 89 8.715 0.880 -2.953 1.00 0.74 C ATOM 0 H ILE A 89 6.881 -2.127 -4.042 1.00 0.47 H new ATOM 0 HA ILE A 89 6.035 0.606 -4.741 1.00 0.49 H new ATOM 0 HB ILE A 89 8.378 -0.779 -5.977 1.00 0.61 H new ATOM 0 HG12 ILE A 89 8.876 -1.129 -3.683 1.00 0.70 H new ATOM 0 HG13 ILE A 89 9.987 -0.003 -4.436 1.00 0.70 H new ATOM 0 HG21 ILE A 89 9.150 1.653 -6.116 1.00 0.65 H new ATOM 0 HG22 ILE A 89 7.556 1.420 -6.872 1.00 0.65 H new ATOM 0 HG23 ILE A 89 7.674 2.135 -5.247 1.00 0.65 H new ATOM 0 HD11 ILE A 89 9.434 0.706 -2.152 1.00 0.74 H new ATOM 0 HD12 ILE A 89 8.832 1.895 -3.332 1.00 0.74 H new ATOM 0 HD13 ILE A 89 7.704 0.751 -2.567 1.00 0.74 H new ATOM 1326 N ASN A 90 4.978 0.030 -6.934 1.00 0.50 N ATOM 1327 CA ASN A 90 4.266 -0.260 -8.178 1.00 0.52 C ATOM 1328 C ASN A 90 5.089 0.146 -9.415 1.00 0.65 C ATOM 1329 O ASN A 90 5.698 1.220 -9.422 1.00 0.77 O ATOM 1330 CB ASN A 90 2.907 0.469 -8.152 1.00 0.54 C ATOM 1331 CG ASN A 90 2.017 -0.038 -9.259 1.00 0.73 C ATOM 1332 OD1 ASN A 90 1.925 -1.230 -9.486 1.00 1.54 O ATOM 1333 ND2 ASN A 90 1.361 0.815 -10.005 1.00 0.42 N ATOM 0 H ASN A 90 4.744 0.943 -6.544 1.00 0.50 H new ATOM 0 HA ASN A 90 4.105 -1.335 -8.252 1.00 0.52 H new ATOM 0 HB2 ASN A 90 2.423 0.314 -7.188 1.00 0.54 H new ATOM 0 HB3 ASN A 90 3.061 1.542 -8.263 1.00 0.54 H new ATOM 0 HD21 ASN A 90 0.777 0.479 -10.771 1.00 0.42 H new ATOM 0 HD22 ASN A 90 1.434 1.815 -9.820 1.00 0.42 H new ATOM 1340 N GLN A 91 5.089 -0.660 -10.485 1.00 0.74 N ATOM 1341 CA GLN A 91 5.765 -0.288 -11.734 1.00 0.94 C ATOM 1342 C GLN A 91 4.849 0.506 -12.675 1.00 1.76 C ATOM 1343 O GLN A 91 5.058 1.709 -12.839 1.00 3.46 O ATOM 1344 CB GLN A 91 6.414 -1.503 -12.409 1.00 1.11 C ATOM 1345 CG GLN A 91 7.336 -1.081 -13.568 1.00 1.61 C ATOM 1346 CD GLN A 91 8.513 -0.210 -13.117 1.00 1.95 C ATOM 1347 OE1 GLN A 91 8.604 0.982 -13.412 1.00 3.09 O ATOM 1348 NE2 GLN A 91 9.426 -0.761 -12.348 1.00 2.68 N ATOM 0 H GLN A 91 4.630 -1.571 -10.511 1.00 0.74 H new ATOM 0 HA GLN A 91 6.579 0.389 -11.474 1.00 0.94 H new ATOM 0 HB2 GLN A 91 6.988 -2.066 -11.673 1.00 1.11 H new ATOM 0 HB3 GLN A 91 5.638 -2.169 -12.785 1.00 1.11 H new ATOM 0 HG2 GLN A 91 7.721 -1.974 -14.061 1.00 1.61 H new ATOM 0 HG3 GLN A 91 6.751 -0.535 -14.308 1.00 1.61 H new ATOM 0 HE21 GLN A 91 9.356 -1.748 -12.100 1.00 2.68 H new ATOM 0 HE22 GLN A 91 10.204 -0.202 -11.999 1.00 2.68 H new ATOM 1357 N ASN A 92 3.835 -0.124 -13.274 1.00 1.26 N ATOM 1358 CA ASN A 92 2.827 0.502 -14.138 1.00 2.02 C ATOM 1359 C ASN A 92 1.417 0.038 -13.695 1.00 2.20 C ATOM 1360 O ASN A 92 1.231 -0.393 -12.558 1.00 4.01 O ATOM 1361 CB ASN A 92 3.190 0.160 -15.602 1.00 2.43 C ATOM 1362 CG ASN A 92 2.398 0.970 -16.611 1.00 3.34 C ATOM 1363 OD1 ASN A 92 2.451 2.193 -16.627 1.00 4.47 O ATOM 1364 ND2 ASN A 92 1.539 0.349 -17.383 1.00 3.15 N ATOM 0 H ASN A 92 3.687 -1.127 -13.166 1.00 1.26 H new ATOM 0 HA ASN A 92 2.814 1.589 -14.055 1.00 2.02 H new ATOM 0 HB2 ASN A 92 4.254 0.336 -15.758 1.00 2.43 H new ATOM 0 HB3 ASN A 92 3.013 -0.901 -15.776 1.00 2.43 H new ATOM 0 HD21 ASN A 92 0.920 0.885 -17.992 1.00 3.15 H new ATOM 0 HD22 ASN A 92 1.490 -0.670 -17.375 1.00 3.15 H new ATOM 1371 N GLY A 93 0.391 0.149 -14.533 1.00 1.36 N ATOM 1372 CA GLY A 93 -0.939 -0.440 -14.334 1.00 1.77 C ATOM 1373 C GLY A 93 -2.081 0.545 -14.085 1.00 1.76 C ATOM 1374 O GLY A 93 -3.216 0.215 -14.428 1.00 3.41 O ATOM 0 H GLY A 93 0.461 0.672 -15.406 1.00 1.36 H new ATOM 0 HA2 GLY A 93 -1.185 -1.036 -15.213 1.00 1.77 H new ATOM 0 HA3 GLY A 93 -0.887 -1.126 -13.489 1.00 1.77 H new ATOM 1378 N SER A 94 -1.794 1.735 -13.538 1.00 0.95 N ATOM 1379 CA SER A 94 -2.775 2.793 -13.209 1.00 0.96 C ATOM 1380 C SER A 94 -4.027 2.228 -12.510 1.00 1.13 C ATOM 1381 O SER A 94 -5.132 2.185 -13.060 1.00 1.74 O ATOM 1382 CB SER A 94 -3.104 3.619 -14.457 1.00 1.21 C ATOM 1383 OG SER A 94 -1.936 4.293 -14.905 1.00 1.97 O ATOM 0 H SER A 94 -0.838 2.002 -13.302 1.00 0.95 H new ATOM 0 HA SER A 94 -2.322 3.468 -12.483 1.00 0.96 H new ATOM 0 HB2 SER A 94 -3.486 2.970 -15.245 1.00 1.21 H new ATOM 0 HB3 SER A 94 -3.889 4.341 -14.231 1.00 1.21 H new ATOM 0 HG SER A 94 -2.148 4.819 -15.704 1.00 1.97 H new ATOM 1389 N LEU A 95 -3.813 1.749 -11.284 1.00 0.71 N ATOM 1390 CA LEU A 95 -4.762 0.922 -10.534 1.00 0.67 C ATOM 1391 C LEU A 95 -5.596 1.723 -9.533 1.00 0.64 C ATOM 1392 O LEU A 95 -5.168 2.783 -9.071 1.00 0.63 O ATOM 1393 CB LEU A 95 -4.021 -0.177 -9.749 1.00 0.63 C ATOM 1394 CG LEU A 95 -2.754 -0.801 -10.341 1.00 0.86 C ATOM 1395 CD1 LEU A 95 -1.984 -1.545 -9.248 1.00 0.96 C ATOM 1396 CD2 LEU A 95 -3.150 -1.753 -11.452 1.00 0.99 C ATOM 0 H LEU A 95 -2.951 1.930 -10.770 1.00 0.71 H new ATOM 0 HA LEU A 95 -5.430 0.493 -11.281 1.00 0.67 H new ATOM 0 HB2 LEU A 95 -3.757 0.238 -8.776 1.00 0.63 H new ATOM 0 HB3 LEU A 95 -4.730 -0.985 -9.569 1.00 0.63 H new ATOM 0 HG LEU A 95 -2.109 -0.022 -10.747 1.00 0.86 H new ATOM 0 HD11 LEU A 95 -1.083 -1.987 -9.674 1.00 0.96 H new ATOM 0 HD12 LEU A 95 -1.707 -0.846 -8.459 1.00 0.96 H new ATOM 0 HD13 LEU A 95 -2.613 -2.332 -8.832 1.00 0.96 H new ATOM 0 HD21 LEU A 95 -2.255 -2.204 -11.881 1.00 0.99 H new ATOM 0 HD22 LEU A 95 -3.793 -2.536 -11.049 1.00 0.99 H new ATOM 0 HD23 LEU A 95 -3.687 -1.205 -12.226 1.00 0.99 H new ATOM 1408 N LEU A 96 -6.742 1.172 -9.121 1.00 0.65 N ATOM 1409 CA LEU A 96 -7.520 1.685 -7.988 1.00 0.67 C ATOM 1410 C LEU A 96 -7.635 0.617 -6.886 1.00 0.55 C ATOM 1411 O LEU A 96 -7.985 -0.541 -7.141 1.00 0.55 O ATOM 1412 CB LEU A 96 -8.884 2.255 -8.425 1.00 1.00 C ATOM 1413 CG LEU A 96 -8.814 3.641 -9.105 1.00 1.36 C ATOM 1414 CD1 LEU A 96 -8.378 3.577 -10.570 1.00 1.81 C ATOM 1415 CD2 LEU A 96 -10.188 4.312 -9.076 1.00 2.00 C ATOM 0 H LEU A 96 -7.158 0.354 -9.566 1.00 0.65 H new ATOM 0 HA LEU A 96 -6.981 2.531 -7.562 1.00 0.67 H new ATOM 0 HB2 LEU A 96 -9.354 1.551 -9.112 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -9.530 2.326 -7.550 1.00 1.00 H new ATOM 0 HG LEU A 96 -8.070 4.205 -8.542 1.00 1.36 H new ATOM 0 HD11 LEU A 96 -8.350 4.584 -10.986 1.00 1.81 H new ATOM 0 HD12 LEU A 96 -7.386 3.130 -10.635 1.00 1.81 H new ATOM 0 HD13 LEU A 96 -9.087 2.971 -11.134 1.00 1.81 H new ATOM 0 HD21 LEU A 96 -10.127 5.288 -9.558 1.00 2.00 H new ATOM 0 HD22 LEU A 96 -10.908 3.690 -9.607 1.00 2.00 H new ATOM 0 HD23 LEU A 96 -10.510 4.437 -8.042 1.00 2.00 H new ATOM 1427 N ILE A 97 -7.297 1.029 -5.661 1.00 0.50 N ATOM 1428 CA ILE A 97 -7.115 0.183 -4.476 1.00 0.47 C ATOM 1429 C ILE A 97 -8.198 0.496 -3.439 1.00 0.45 C ATOM 1430 O ILE A 97 -8.289 1.635 -2.984 1.00 0.50 O ATOM 1431 CB ILE A 97 -5.709 0.428 -3.862 1.00 0.55 C ATOM 1432 CG1 ILE A 97 -4.564 0.559 -4.891 1.00 0.86 C ATOM 1433 CG2 ILE A 97 -5.373 -0.654 -2.818 1.00 0.63 C ATOM 1434 CD1 ILE A 97 -4.377 -0.668 -5.780 1.00 1.52 C ATOM 0 H ILE A 97 -7.134 2.015 -5.457 1.00 0.50 H new ATOM 0 HA ILE A 97 -7.197 -0.863 -4.771 1.00 0.47 H new ATOM 0 HB ILE A 97 -5.777 1.403 -3.380 1.00 0.55 H new ATOM 0 HG12 ILE A 97 -4.756 1.426 -5.523 1.00 0.86 H new ATOM 0 HG13 ILE A 97 -3.633 0.753 -4.359 1.00 0.86 H new ATOM 0 HG21 ILE A 97 -4.384 -0.463 -2.401 1.00 0.63 H new ATOM 0 HG22 ILE A 97 -6.114 -0.631 -2.019 1.00 0.63 H new ATOM 0 HG23 ILE A 97 -5.383 -1.634 -3.294 1.00 0.63 H new ATOM 0 HD11 ILE A 97 -3.554 -0.493 -6.473 1.00 1.52 H new ATOM 0 HD12 ILE A 97 -4.151 -1.536 -5.160 1.00 1.52 H new ATOM 0 HD13 ILE A 97 -5.292 -0.853 -6.343 1.00 1.52 H new ATOM 1446 N CYS A 98 -8.992 -0.489 -3.018 1.00 0.45 N ATOM 1447 CA CYS A 98 -9.906 -0.337 -1.883 1.00 0.51 C ATOM 1448 C CYS A 98 -9.153 -0.552 -0.558 1.00 0.58 C ATOM 1449 O CYS A 98 -8.582 -1.623 -0.318 1.00 0.66 O ATOM 1450 CB CYS A 98 -11.139 -1.241 -2.052 1.00 0.58 C ATOM 1451 SG CYS A 98 -10.685 -2.978 -2.296 1.00 1.65 S ATOM 0 H CYS A 98 -9.021 -1.412 -3.452 1.00 0.45 H new ATOM 0 HA CYS A 98 -10.288 0.683 -1.854 1.00 0.51 H new ATOM 0 HB2 CYS A 98 -11.775 -1.154 -1.171 1.00 0.58 H new ATOM 0 HB3 CYS A 98 -11.726 -0.897 -2.904 1.00 0.58 H new ATOM 0 HG CYS A 98 -9.431 -3.056 -2.630 1.00 1.65 H new ATOM 1457 N ALA A 99 -9.136 0.477 0.293 1.00 0.62 N ATOM 1458 CA ALA A 99 -8.429 0.481 1.570 1.00 0.67 C ATOM 1459 C ALA A 99 -9.378 0.143 2.732 1.00 0.70 C ATOM 1460 O ALA A 99 -10.276 0.918 3.071 1.00 0.91 O ATOM 1461 CB ALA A 99 -7.756 1.848 1.748 1.00 0.77 C ATOM 0 H ALA A 99 -9.627 1.351 0.105 1.00 0.62 H new ATOM 0 HA ALA A 99 -7.662 -0.293 1.574 1.00 0.67 H new ATOM 0 HB1 ALA A 99 -7.222 1.870 2.698 1.00 0.77 H new ATOM 0 HB2 ALA A 99 -7.053 2.016 0.933 1.00 0.77 H new ATOM 0 HB3 ALA A 99 -8.514 2.631 1.740 1.00 0.77 H new ATOM 1467 N THR A 100 -9.142 -1.006 3.365 1.00 0.76 N ATOM 1468 CA THR A 100 -9.907 -1.547 4.507 1.00 0.85 C ATOM 1469 C THR A 100 -9.127 -1.484 5.828 1.00 0.79 C ATOM 1470 O THR A 100 -9.608 -1.927 6.873 1.00 0.85 O ATOM 1471 CB THR A 100 -10.334 -2.990 4.201 1.00 1.07 C ATOM 1472 OG1 THR A 100 -9.203 -3.722 3.783 1.00 1.87 O ATOM 1473 CG2 THR A 100 -11.356 -3.059 3.065 1.00 1.87 C ATOM 0 H THR A 100 -8.377 -1.621 3.088 1.00 0.76 H new ATOM 0 HA THR A 100 -10.788 -0.919 4.639 1.00 0.85 H new ATOM 0 HB THR A 100 -10.779 -3.396 5.109 1.00 1.07 H new ATOM 0 HG1 THR A 100 -9.465 -4.646 3.587 1.00 1.87 H new ATOM 0 HG21 THR A 100 -11.629 -4.099 2.884 1.00 1.87 H new ATOM 0 HG22 THR A 100 -12.246 -2.493 3.341 1.00 1.87 H new ATOM 0 HG23 THR A 100 -10.923 -2.634 2.159 1.00 1.87 H new ATOM 1481 N HIS A 101 -7.934 -0.879 5.816 1.00 0.74 N ATOM 1482 CA HIS A 101 -7.092 -0.668 6.990 1.00 0.77 C ATOM 1483 C HIS A 101 -6.495 0.744 6.951 1.00 0.73 C ATOM 1484 O HIS A 101 -6.027 1.195 5.907 1.00 0.71 O ATOM 1485 CB HIS A 101 -5.967 -1.718 7.026 1.00 0.87 C ATOM 1486 CG HIS A 101 -6.425 -3.129 6.758 1.00 1.10 C ATOM 1487 ND1 HIS A 101 -6.470 -3.731 5.524 1.00 1.34 N ATOM 1488 CD2 HIS A 101 -6.955 -4.015 7.654 1.00 1.37 C ATOM 1489 CE1 HIS A 101 -7.043 -4.933 5.657 1.00 1.62 C ATOM 1490 NE2 HIS A 101 -7.315 -5.174 6.951 1.00 1.60 N ATOM 0 H HIS A 101 -7.518 -0.513 4.960 1.00 0.74 H new ATOM 0 HA HIS A 101 -7.698 -0.773 7.890 1.00 0.77 H new ATOM 0 HB2 HIS A 101 -5.211 -1.448 6.289 1.00 0.87 H new ATOM 0 HB3 HIS A 101 -5.486 -1.684 8.004 1.00 0.87 H new ATOM 0 HD1 HIS A 101 -6.125 -3.329 4.652 1.00 1.34 H new ATOM 0 HD2 HIS A 101 -7.075 -3.852 8.715 1.00 1.37 H new ATOM 0 HE1 HIS A 101 -7.256 -5.611 4.843 1.00 1.62 H new ATOM 1498 N VAL A 102 -6.499 1.431 8.093 1.00 0.78 N ATOM 1499 CA VAL A 102 -5.769 2.696 8.306 1.00 0.83 C ATOM 1500 C VAL A 102 -4.371 2.396 8.868 1.00 0.93 C ATOM 1501 O VAL A 102 -4.075 1.228 9.135 1.00 0.91 O ATOM 1502 CB VAL A 102 -6.637 3.626 9.175 1.00 0.93 C ATOM 1503 CG1 VAL A 102 -6.656 3.232 10.657 1.00 2.53 C ATOM 1504 CG2 VAL A 102 -6.259 5.100 9.042 1.00 2.23 C ATOM 0 H VAL A 102 -7.017 1.124 8.916 1.00 0.78 H new ATOM 0 HA VAL A 102 -5.593 3.230 7.372 1.00 0.83 H new ATOM 0 HB VAL A 102 -7.643 3.494 8.778 1.00 0.93 H new ATOM 0 HG11 VAL A 102 -7.286 3.928 11.211 1.00 2.53 H new ATOM 0 HG12 VAL A 102 -7.054 2.222 10.760 1.00 2.53 H new ATOM 0 HG13 VAL A 102 -5.642 3.265 11.055 1.00 2.53 H new ATOM 0 HG21 VAL A 102 -6.908 5.701 9.679 1.00 2.23 H new ATOM 0 HG22 VAL A 102 -5.222 5.239 9.347 1.00 2.23 H new ATOM 0 HG23 VAL A 102 -6.377 5.414 8.005 1.00 2.23 H new ATOM 1514 N GLY A 103 -3.492 3.383 9.085 1.00 1.14 N ATOM 1515 CA GLY A 103 -2.123 3.118 9.552 1.00 1.41 C ATOM 1516 C GLY A 103 -2.055 2.360 10.887 1.00 1.53 C ATOM 1517 O GLY A 103 -1.173 1.526 11.068 1.00 1.65 O ATOM 0 H GLY A 103 -3.703 4.371 8.945 1.00 1.14 H new ATOM 0 HA2 GLY A 103 -1.596 2.542 8.792 1.00 1.41 H new ATOM 0 HA3 GLY A 103 -1.596 4.066 9.657 1.00 1.41 H new ATOM 1521 N ALA A 104 -3.021 2.562 11.788 1.00 1.63 N ATOM 1522 CA ALA A 104 -3.154 1.769 13.010 1.00 1.87 C ATOM 1523 C ALA A 104 -3.622 0.322 12.752 1.00 1.71 C ATOM 1524 O ALA A 104 -3.080 -0.603 13.348 1.00 1.80 O ATOM 1525 CB ALA A 104 -4.093 2.501 13.977 1.00 2.14 C ATOM 0 H ALA A 104 -3.735 3.284 11.688 1.00 1.63 H new ATOM 0 HA ALA A 104 -2.164 1.671 13.457 1.00 1.87 H new ATOM 0 HB1 ALA A 104 -4.199 1.918 14.892 1.00 2.14 H new ATOM 0 HB2 ALA A 104 -3.678 3.480 14.216 1.00 2.14 H new ATOM 0 HB3 ALA A 104 -5.070 2.626 13.511 1.00 2.14 H new ATOM 1531 N ASP A 105 -4.633 0.099 11.906 1.00 1.57 N ATOM 1532 CA ASP A 105 -5.161 -1.250 11.626 1.00 1.56 C ATOM 1533 C ASP A 105 -4.329 -2.113 10.652 1.00 1.42 C ATOM 1534 O ASP A 105 -4.576 -3.317 10.533 1.00 1.53 O ATOM 1535 CB ASP A 105 -6.641 -1.177 11.218 1.00 1.70 C ATOM 1536 CG ASP A 105 -7.426 -2.341 11.830 1.00 1.98 C ATOM 1537 OD1 ASP A 105 -7.692 -2.277 13.056 1.00 2.78 O ATOM 1538 OD2 ASP A 105 -7.809 -3.293 11.107 1.00 2.65 O ATOM 0 H ASP A 105 -5.110 0.842 11.395 1.00 1.57 H new ATOM 0 HA ASP A 105 -5.072 -1.788 12.570 1.00 1.56 H new ATOM 0 HB2 ASP A 105 -7.068 -0.230 11.547 1.00 1.70 H new ATOM 0 HB3 ASP A 105 -6.726 -1.205 10.132 1.00 1.70 H new ATOM 1543 N THR A 106 -3.384 -1.526 9.910 1.00 1.30 N ATOM 1544 CA THR A 106 -2.675 -2.215 8.816 1.00 1.29 C ATOM 1545 C THR A 106 -1.589 -3.161 9.318 1.00 1.18 C ATOM 1546 O THR A 106 -0.876 -2.872 10.280 1.00 1.10 O ATOM 1547 CB THR A 106 -2.136 -1.230 7.768 1.00 1.49 C ATOM 1548 OG1 THR A 106 -1.849 -1.886 6.552 1.00 3.06 O ATOM 1549 CG2 THR A 106 -0.861 -0.489 8.167 1.00 1.56 C ATOM 0 H THR A 106 -3.086 -0.560 10.047 1.00 1.30 H new ATOM 0 HA THR A 106 -3.418 -2.839 8.320 1.00 1.29 H new ATOM 0 HB THR A 106 -2.941 -0.502 7.672 1.00 1.49 H new ATOM 0 HG1 THR A 106 -2.117 -2.827 6.617 1.00 3.06 H new ATOM 0 HG21 THR A 106 -0.562 0.181 7.361 1.00 1.56 H new ATOM 0 HG22 THR A 106 -1.045 0.091 9.072 1.00 1.56 H new ATOM 0 HG23 THR A 106 -0.065 -1.210 8.354 1.00 1.56 H new ATOM 1557 N THR A 107 -1.428 -4.296 8.637 1.00 1.29 N ATOM 1558 CA THR A 107 -0.535 -5.365 9.107 1.00 1.33 C ATOM 1559 C THR A 107 0.935 -4.929 9.175 1.00 1.27 C ATOM 1560 O THR A 107 1.644 -5.321 10.096 1.00 1.24 O ATOM 1561 CB THR A 107 -0.754 -6.640 8.284 1.00 1.57 C ATOM 1562 OG1 THR A 107 -0.225 -7.751 8.962 1.00 1.78 O ATOM 1563 CG2 THR A 107 -0.161 -6.612 6.875 1.00 1.90 C ATOM 0 H THR A 107 -1.902 -4.502 7.758 1.00 1.29 H new ATOM 0 HA THR A 107 -0.799 -5.593 10.140 1.00 1.33 H new ATOM 0 HB THR A 107 -1.835 -6.710 8.167 1.00 1.57 H new ATOM 0 HG1 THR A 107 -0.372 -8.560 8.429 1.00 1.78 H new ATOM 0 HG21 THR A 107 -0.368 -7.558 6.374 1.00 1.90 H new ATOM 0 HG22 THR A 107 -0.608 -5.795 6.308 1.00 1.90 H new ATOM 0 HG23 THR A 107 0.917 -6.463 6.937 1.00 1.90 H new ATOM 1571 N LEU A 108 1.379 -4.024 8.290 1.00 1.31 N ATOM 1572 CA LEU A 108 2.738 -3.469 8.285 1.00 1.31 C ATOM 1573 C LEU A 108 3.127 -2.848 9.643 1.00 1.18 C ATOM 1574 O LEU A 108 4.171 -3.185 10.204 1.00 1.19 O ATOM 1575 CB LEU A 108 2.828 -2.425 7.152 1.00 1.44 C ATOM 1576 CG LEU A 108 4.273 -1.993 6.836 1.00 0.65 C ATOM 1577 CD1 LEU A 108 4.937 -2.994 5.898 1.00 1.35 C ATOM 1578 CD2 LEU A 108 4.310 -0.635 6.148 1.00 0.71 C ATOM 0 H LEU A 108 0.791 -3.651 7.544 1.00 1.31 H new ATOM 0 HA LEU A 108 3.448 -4.278 8.113 1.00 1.31 H new ATOM 0 HB2 LEU A 108 2.374 -2.837 6.251 1.00 1.44 H new ATOM 0 HB3 LEU A 108 2.246 -1.546 7.430 1.00 1.44 H new ATOM 0 HG LEU A 108 4.801 -1.943 7.788 1.00 0.65 H new ATOM 0 HD11 LEU A 108 5.957 -2.673 5.686 1.00 1.35 H new ATOM 0 HD12 LEU A 108 4.957 -3.977 6.369 1.00 1.35 H new ATOM 0 HD13 LEU A 108 4.373 -3.050 4.967 1.00 1.35 H new ATOM 0 HD21 LEU A 108 5.344 -0.361 5.940 1.00 0.71 H new ATOM 0 HD22 LEU A 108 3.752 -0.686 5.213 1.00 0.71 H new ATOM 0 HD23 LEU A 108 3.860 0.115 6.799 1.00 0.71 H new ATOM 1590 N SER A 109 2.283 -1.961 10.183 1.00 1.10 N ATOM 1591 CA SER A 109 2.508 -1.339 11.495 1.00 1.04 C ATOM 1592 C SER A 109 2.273 -2.311 12.653 1.00 1.01 C ATOM 1593 O SER A 109 2.954 -2.215 13.672 1.00 1.02 O ATOM 1594 CB SER A 109 1.658 -0.076 11.663 1.00 1.06 C ATOM 1595 OG SER A 109 0.321 -0.410 11.967 1.00 2.13 O ATOM 0 H SER A 109 1.425 -1.654 9.724 1.00 1.10 H new ATOM 0 HA SER A 109 3.559 -1.053 11.527 1.00 1.04 H new ATOM 0 HB2 SER A 109 2.073 0.544 12.458 1.00 1.06 H new ATOM 0 HB3 SER A 109 1.691 0.515 10.748 1.00 1.06 H new ATOM 0 HG SER A 109 -0.267 0.333 11.716 1.00 2.13 H new ATOM 1601 N GLN A 110 1.348 -3.269 12.504 1.00 1.10 N ATOM 1602 CA GLN A 110 1.109 -4.300 13.521 1.00 1.19 C ATOM 1603 C GLN A 110 2.343 -5.196 13.724 1.00 1.23 C ATOM 1604 O GLN A 110 2.720 -5.463 14.865 1.00 1.29 O ATOM 1605 CB GLN A 110 -0.131 -5.119 13.121 1.00 1.31 C ATOM 1606 CG GLN A 110 -0.589 -6.138 14.176 1.00 1.42 C ATOM 1607 CD GLN A 110 -1.110 -5.444 15.419 1.00 1.44 C ATOM 1608 OE1 GLN A 110 -0.574 -5.548 16.517 1.00 1.44 O ATOM 1609 NE2 GLN A 110 -2.178 -4.701 15.293 1.00 1.65 N ATOM 0 H GLN A 110 0.749 -3.351 11.682 1.00 1.10 H new ATOM 0 HA GLN A 110 0.923 -3.818 14.481 1.00 1.19 H new ATOM 0 HB2 GLN A 110 -0.953 -4.433 12.916 1.00 1.31 H new ATOM 0 HB3 GLN A 110 0.083 -5.648 12.192 1.00 1.31 H new ATOM 0 HG2 GLN A 110 -1.369 -6.773 13.757 1.00 1.42 H new ATOM 0 HG3 GLN A 110 0.244 -6.789 14.442 1.00 1.42 H new ATOM 0 HE21 GLN A 110 -2.631 -4.609 14.384 1.00 1.65 H new ATOM 0 HE22 GLN A 110 -2.559 -4.214 16.104 1.00 1.65 H new ATOM 1618 N ILE A 111 3.018 -5.597 12.637 1.00 1.26 N ATOM 1619 CA ILE A 111 4.219 -6.446 12.673 1.00 1.34 C ATOM 1620 C ILE A 111 5.303 -5.791 13.536 1.00 1.26 C ATOM 1621 O ILE A 111 5.747 -6.390 14.518 1.00 1.37 O ATOM 1622 CB ILE A 111 4.719 -6.759 11.237 1.00 1.45 C ATOM 1623 CG1 ILE A 111 3.743 -7.713 10.508 1.00 1.60 C ATOM 1624 CG2 ILE A 111 6.125 -7.396 11.244 1.00 1.58 C ATOM 1625 CD1 ILE A 111 3.865 -7.663 8.978 1.00 1.72 C ATOM 0 H ILE A 111 2.740 -5.336 11.691 1.00 1.26 H new ATOM 0 HA ILE A 111 3.966 -7.401 13.133 1.00 1.34 H new ATOM 0 HB ILE A 111 4.767 -5.806 10.709 1.00 1.45 H new ATOM 0 HG12 ILE A 111 3.925 -8.733 10.846 1.00 1.60 H new ATOM 0 HG13 ILE A 111 2.721 -7.461 10.791 1.00 1.60 H new ATOM 0 HG21 ILE A 111 6.437 -7.599 10.220 1.00 1.58 H new ATOM 0 HG22 ILE A 111 6.833 -6.710 11.710 1.00 1.58 H new ATOM 0 HG23 ILE A 111 6.099 -8.329 11.807 1.00 1.58 H new ATOM 0 HD11 ILE A 111 3.151 -8.357 8.533 1.00 1.72 H new ATOM 0 HD12 ILE A 111 3.654 -6.652 8.629 1.00 1.72 H new ATOM 0 HD13 ILE A 111 4.876 -7.945 8.684 1.00 1.72 H new ATOM 1637 N VAL A 112 5.699 -4.552 13.220 1.00 1.16 N ATOM 1638 CA VAL A 112 6.773 -3.858 13.956 1.00 1.16 C ATOM 1639 C VAL A 112 6.391 -3.442 15.376 1.00 1.24 C ATOM 1640 O VAL A 112 7.291 -3.262 16.195 1.00 1.32 O ATOM 1641 CB VAL A 112 7.326 -2.641 13.200 1.00 1.25 C ATOM 1642 CG1 VAL A 112 7.962 -3.053 11.871 1.00 1.36 C ATOM 1643 CG2 VAL A 112 6.270 -1.565 12.944 1.00 1.35 C ATOM 0 H VAL A 112 5.294 -4.006 12.460 1.00 1.16 H new ATOM 0 HA VAL A 112 7.557 -4.612 14.035 1.00 1.16 H new ATOM 0 HB VAL A 112 8.087 -2.212 13.852 1.00 1.25 H new ATOM 0 HG11 VAL A 112 8.344 -2.169 11.361 1.00 1.36 H new ATOM 0 HG12 VAL A 112 8.782 -3.746 12.059 1.00 1.36 H new ATOM 0 HG13 VAL A 112 7.214 -3.539 11.245 1.00 1.36 H new ATOM 0 HG21 VAL A 112 6.723 -0.732 12.407 1.00 1.35 H new ATOM 0 HG22 VAL A 112 5.460 -1.985 12.347 1.00 1.35 H new ATOM 0 HG23 VAL A 112 5.874 -1.211 13.895 1.00 1.35 H new