USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -140:sc= -0.116 (180deg=-0.558) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.019 (180deg=-0.274) USER MOD Single : A 2 GLN : amide:sc= -0.564 K(o=-0.56,f=-2.3) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 169:sc= -0.134 (180deg=-0.234) USER MOD Single : A 12 THR OG1 : rot -160:sc= 0 USER MOD Single : A 15 SER OG : rot -23:sc= -0.894 USER MOD Single : A 19 SER OG : rot 180:sc= -0.349 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.68) USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= -0.0423 (180deg=-0.307) USER MOD Single : A 28 SER OG : rot 92:sc= 0.685 USER MOD Single : A 31 MET CE :methyl 141:sc= -2.47! (180deg=-4.34) USER MOD Single : A 35 SER OG : rot 180:sc= -0.315 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.976 K(o=-0.98,f=-1.8) USER MOD Single : A 50 HIS : no HD1:sc= -2.43 X(o=-2.4,f=-2.9!) USER MOD Single : A 53 THR OG1 : rot -58:sc= 1.03 USER MOD Single : A 57 SER OG : rot 40:sc= 0.517 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc=-0.00836 (180deg=-0.111) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.784 14.752 -4.660 1.00 3.33 N ATOM 2 CA MET A 1 -1.351 14.692 -3.289 1.00 2.78 C ATOM 3 C MET A 1 -0.610 13.666 -2.439 1.00 2.08 C ATOM 4 O MET A 1 -0.118 12.661 -2.952 1.00 2.36 O ATOM 5 CB MET A 1 -2.839 14.339 -3.348 1.00 2.93 C ATOM 6 CG MET A 1 -3.666 15.329 -4.153 1.00 3.53 C ATOM 7 SD MET A 1 -3.625 16.994 -3.460 1.00 4.37 S ATOM 8 CE MET A 1 -4.386 16.713 -1.864 1.00 5.17 C ATOM 0 H1 MET A 1 -1.133 15.605 -5.143 1.00 3.33 H new ATOM 0 H2 MET A 1 0.254 14.785 -4.605 1.00 3.33 H new ATOM 0 H3 MET A 1 -1.076 13.908 -5.194 1.00 3.33 H new ATOM 0 HA MET A 1 -1.232 15.673 -2.829 1.00 2.78 H new ATOM 0 HB2 MET A 1 -2.952 13.346 -3.783 1.00 2.93 H new ATOM 0 HB3 MET A 1 -3.233 14.289 -2.333 1.00 2.93 H new ATOM 0 HG2 MET A 1 -3.296 15.357 -5.178 1.00 3.53 H new ATOM 0 HG3 MET A 1 -4.699 14.983 -4.196 1.00 3.53 H new ATOM 0 HE1 MET A 1 -5.052 17.543 -1.628 1.00 5.17 H new ATOM 0 HE2 MET A 1 -4.957 15.785 -1.892 1.00 5.17 H new ATOM 0 HE3 MET A 1 -3.612 16.640 -1.100 1.00 5.17 H new ATOM 18 N GLN A 2 -0.532 13.927 -1.138 1.00 1.56 N ATOM 19 CA GLN A 2 0.152 13.026 -0.218 1.00 0.99 C ATOM 20 C GLN A 2 -0.717 11.814 0.107 1.00 0.83 C ATOM 21 O GLN A 2 -1.832 11.685 -0.396 1.00 1.25 O ATOM 22 CB GLN A 2 0.520 13.767 1.068 1.00 1.05 C ATOM 23 CG GLN A 2 1.392 14.987 0.836 1.00 1.64 C ATOM 24 CD GLN A 2 1.931 15.573 2.126 1.00 2.33 C ATOM 25 OE1 GLN A 2 3.002 15.188 2.597 1.00 2.91 O ATOM 26 NE2 GLN A 2 1.191 16.512 2.704 1.00 2.94 N ATOM 0 H GLN A 2 -0.934 14.755 -0.698 1.00 1.56 H new ATOM 0 HA GLN A 2 1.063 12.674 -0.701 1.00 0.99 H new ATOM 0 HB2 GLN A 2 -0.395 14.075 1.575 1.00 1.05 H new ATOM 0 HB3 GLN A 2 1.039 13.081 1.737 1.00 1.05 H new ATOM 0 HG2 GLN A 2 2.226 14.715 0.189 1.00 1.64 H new ATOM 0 HG3 GLN A 2 0.814 15.747 0.310 1.00 1.64 H new ATOM 0 HE21 GLN A 2 0.310 16.801 2.279 1.00 2.94 H new ATOM 0 HE22 GLN A 2 1.504 16.945 3.573 1.00 2.94 H new ATOM 33 N PHE A 3 -0.196 10.927 0.950 1.00 0.64 N ATOM 34 CA PHE A 3 -0.924 9.725 1.343 1.00 0.59 C ATOM 35 C PHE A 3 -1.301 9.781 2.820 1.00 0.50 C ATOM 36 O PHE A 3 -0.435 9.726 3.693 1.00 0.55 O ATOM 37 CB PHE A 3 -0.079 8.478 1.068 1.00 0.80 C ATOM 38 CG PHE A 3 0.442 8.407 -0.338 1.00 0.75 C ATOM 39 CD1 PHE A 3 -0.309 7.815 -1.342 1.00 1.47 C ATOM 40 CD2 PHE A 3 1.683 8.931 -0.657 1.00 0.80 C ATOM 41 CE1 PHE A 3 0.171 7.750 -2.637 1.00 2.25 C ATOM 42 CE2 PHE A 3 2.169 8.868 -1.950 1.00 1.39 C ATOM 43 CZ PHE A 3 1.411 8.276 -2.941 1.00 2.18 C ATOM 0 H PHE A 3 0.727 11.018 1.374 1.00 0.64 H new ATOM 0 HA PHE A 3 -1.838 9.673 0.752 1.00 0.59 H new ATOM 0 HB2 PHE A 3 0.763 8.459 1.760 1.00 0.80 H new ATOM 0 HB3 PHE A 3 -0.679 7.590 1.270 1.00 0.80 H new ATOM 0 HD1 PHE A 3 -1.279 7.400 -1.110 1.00 1.47 H new ATOM 0 HD2 PHE A 3 2.280 9.395 0.114 1.00 0.80 H new ATOM 0 HE1 PHE A 3 -0.424 7.288 -3.411 1.00 2.25 H new ATOM 0 HE2 PHE A 3 3.139 9.281 -2.184 1.00 1.39 H new ATOM 0 HZ PHE A 3 1.787 8.225 -3.952 1.00 2.18 H new ATOM 52 N THR A 4 -2.597 9.892 3.095 1.00 0.53 N ATOM 53 CA THR A 4 -3.080 9.962 4.468 1.00 0.49 C ATOM 54 C THR A 4 -3.900 8.729 4.840 1.00 0.45 C ATOM 55 O THR A 4 -4.468 8.067 3.972 1.00 0.45 O ATOM 56 CB THR A 4 -3.943 11.215 4.696 1.00 0.57 C ATOM 57 OG1 THR A 4 -5.006 11.261 3.736 1.00 0.61 O ATOM 58 CG2 THR A 4 -3.101 12.475 4.591 1.00 0.66 C ATOM 0 H THR A 4 -3.329 9.935 2.386 1.00 0.53 H new ATOM 0 HA THR A 4 -2.195 10.009 5.103 1.00 0.49 H new ATOM 0 HB THR A 4 -4.365 11.162 5.699 1.00 0.57 H new ATOM 0 HG1 THR A 4 -5.551 12.061 3.890 1.00 0.61 H new ATOM 0 HG21 THR A 4 -3.732 13.349 4.756 1.00 0.66 H new ATOM 0 HG22 THR A 4 -2.313 12.450 5.343 1.00 0.66 H new ATOM 0 HG23 THR A 4 -2.654 12.532 3.599 1.00 0.66 H new ATOM 66 N PRO A 5 -3.967 8.410 6.145 1.00 0.47 N ATOM 67 CA PRO A 5 -4.726 7.258 6.637 1.00 0.51 C ATOM 68 C PRO A 5 -6.231 7.477 6.530 1.00 0.51 C ATOM 69 O PRO A 5 -6.863 7.987 7.456 1.00 0.65 O ATOM 70 CB PRO A 5 -4.299 7.155 8.103 1.00 0.62 C ATOM 71 CG PRO A 5 -3.912 8.542 8.477 1.00 0.58 C ATOM 72 CD PRO A 5 -3.307 9.147 7.242 1.00 0.53 C ATOM 0 HA PRO A 5 -4.527 6.355 6.060 1.00 0.51 H new ATOM 0 HB2 PRO A 5 -5.113 6.788 8.728 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -3.465 6.464 8.226 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -4.779 9.114 8.808 1.00 0.58 H new ATOM 0 HG3 PRO A 5 -3.198 8.540 9.301 1.00 0.58 H new ATOM 0 HD2 PRO A 5 -3.502 10.218 7.182 1.00 0.53 H new ATOM 0 HD3 PRO A 5 -2.225 9.018 7.219 1.00 0.53 H new ATOM 77 N ASP A 6 -6.797 7.096 5.391 1.00 0.74 N ATOM 78 CA ASP A 6 -8.226 7.253 5.154 1.00 0.84 C ATOM 79 C ASP A 6 -8.601 6.734 3.772 1.00 0.71 C ATOM 80 O ASP A 6 -9.636 6.092 3.596 1.00 0.67 O ATOM 81 CB ASP A 6 -8.626 8.724 5.286 1.00 1.07 C ATOM 82 CG ASP A 6 -10.097 8.952 4.997 1.00 2.06 C ATOM 83 OD1 ASP A 6 -10.440 9.192 3.821 1.00 2.51 O ATOM 84 OD2 ASP A 6 -10.904 8.890 5.948 1.00 2.69 O ATOM 0 H ASP A 6 -6.286 6.675 4.615 1.00 0.74 H new ATOM 0 HA ASP A 6 -8.764 6.670 5.902 1.00 0.84 H new ATOM 0 HB2 ASP A 6 -8.399 9.070 6.294 1.00 1.07 H new ATOM 0 HB3 ASP A 6 -8.027 9.323 4.601 1.00 1.07 H new ATOM 88 N SER A 7 -7.747 7.015 2.791 1.00 0.77 N ATOM 89 CA SER A 7 -7.981 6.578 1.420 1.00 0.72 C ATOM 90 C SER A 7 -7.279 5.252 1.149 1.00 0.54 C ATOM 91 O SER A 7 -6.185 5.004 1.654 1.00 0.67 O ATOM 92 CB SER A 7 -7.494 7.640 0.433 1.00 0.96 C ATOM 93 OG SER A 7 -8.198 8.857 0.604 1.00 1.89 O ATOM 0 H SER A 7 -6.885 7.545 2.922 1.00 0.77 H new ATOM 0 HA SER A 7 -9.053 6.436 1.286 1.00 0.72 H new ATOM 0 HB2 SER A 7 -6.427 7.811 0.575 1.00 0.96 H new ATOM 0 HB3 SER A 7 -7.626 7.280 -0.587 1.00 0.96 H new ATOM 0 HG SER A 7 -7.867 9.520 -0.038 1.00 1.89 H new ATOM 98 N ALA A 8 -7.914 4.402 0.348 1.00 0.47 N ATOM 99 CA ALA A 8 -7.345 3.103 0.012 1.00 0.35 C ATOM 100 C ALA A 8 -6.367 3.215 -1.155 1.00 0.31 C ATOM 101 O ALA A 8 -6.402 4.182 -1.914 1.00 0.38 O ATOM 102 CB ALA A 8 -8.451 2.110 -0.313 1.00 0.44 C ATOM 0 H ALA A 8 -8.821 4.590 -0.079 1.00 0.47 H new ATOM 0 HA ALA A 8 -6.792 2.741 0.879 1.00 0.35 H new ATOM 0 HB1 ALA A 8 -8.011 1.144 -0.562 1.00 0.44 H new ATOM 0 HB2 ALA A 8 -9.106 1.999 0.551 1.00 0.44 H new ATOM 0 HB3 ALA A 8 -9.030 2.475 -1.162 1.00 0.44 H new ATOM 108 N TRP A 9 -5.496 2.218 -1.289 1.00 0.30 N ATOM 109 CA TRP A 9 -4.508 2.205 -2.362 1.00 0.30 C ATOM 110 C TRP A 9 -4.181 0.773 -2.776 1.00 0.32 C ATOM 111 O TRP A 9 -4.487 -0.175 -2.055 1.00 0.39 O ATOM 112 CB TRP A 9 -3.234 2.922 -1.913 1.00 0.34 C ATOM 113 CG TRP A 9 -3.494 4.257 -1.282 1.00 0.35 C ATOM 114 CD1 TRP A 9 -3.901 4.490 0.000 1.00 0.40 C ATOM 115 CD2 TRP A 9 -3.364 5.540 -1.904 1.00 0.42 C ATOM 116 NE1 TRP A 9 -4.033 5.842 0.213 1.00 0.41 N ATOM 117 CE2 TRP A 9 -3.709 6.507 -0.940 1.00 0.42 C ATOM 118 CE3 TRP A 9 -2.989 5.964 -3.181 1.00 0.56 C ATOM 119 CZ2 TRP A 9 -3.688 7.872 -1.216 1.00 0.52 C ATOM 120 CZ3 TRP A 9 -2.969 7.320 -3.453 1.00 0.69 C ATOM 121 CH2 TRP A 9 -3.316 8.259 -2.474 1.00 0.66 C ATOM 0 H TRP A 9 -5.455 1.410 -0.668 1.00 0.30 H new ATOM 0 HA TRP A 9 -4.928 2.727 -3.222 1.00 0.30 H new ATOM 0 HB2 TRP A 9 -2.701 2.290 -1.202 1.00 0.34 H new ATOM 0 HB3 TRP A 9 -2.579 3.056 -2.774 1.00 0.34 H new ATOM 0 HD1 TRP A 9 -4.091 3.725 0.738 1.00 0.40 H new ATOM 0 HE1 TRP A 9 -4.325 6.279 1.087 1.00 0.41 H new ATOM 0 HE3 TRP A 9 -2.720 5.246 -3.942 1.00 0.56 H new ATOM 0 HZ2 TRP A 9 -3.956 8.599 -0.464 1.00 0.52 H new ATOM 0 HZ3 TRP A 9 -2.681 7.660 -4.437 1.00 0.69 H new ATOM 0 HH2 TRP A 9 -3.289 9.311 -2.717 1.00 0.66 H new ATOM 131 N LYS A 10 -3.558 0.623 -3.940 1.00 0.34 N ATOM 132 CA LYS A 10 -3.192 -0.697 -4.440 1.00 0.37 C ATOM 133 C LYS A 10 -1.678 -0.860 -4.503 1.00 0.34 C ATOM 134 O LYS A 10 -0.963 0.039 -4.942 1.00 0.34 O ATOM 135 CB LYS A 10 -3.803 -0.936 -5.822 1.00 0.43 C ATOM 136 CG LYS A 10 -5.320 -1.013 -5.810 1.00 1.01 C ATOM 137 CD LYS A 10 -5.868 -1.390 -7.177 1.00 1.03 C ATOM 138 CE LYS A 10 -7.383 -1.503 -7.161 1.00 1.28 C ATOM 139 NZ LYS A 10 -8.031 -0.213 -6.795 1.00 2.04 N ATOM 0 H LYS A 10 -3.297 1.396 -4.553 1.00 0.34 H new ATOM 0 HA LYS A 10 -3.588 -1.438 -3.745 1.00 0.37 H new ATOM 0 HB2 LYS A 10 -3.493 -0.133 -6.491 1.00 0.43 H new ATOM 0 HB3 LYS A 10 -3.403 -1.864 -6.231 1.00 0.43 H new ATOM 0 HG2 LYS A 10 -5.643 -1.748 -5.072 1.00 1.01 H new ATOM 0 HG3 LYS A 10 -5.732 -0.051 -5.504 1.00 1.01 H new ATOM 0 HD2 LYS A 10 -5.566 -0.641 -7.910 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -5.435 -2.339 -7.494 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -7.734 -1.820 -8.143 1.00 1.28 H new ATOM 0 HE3 LYS A 10 -7.682 -2.274 -6.451 1.00 1.28 H new ATOM 0 HZ1 LYS A 10 -9.054 -0.275 -6.974 1.00 2.04 H new ATOM 0 HZ2 LYS A 10 -7.867 -0.016 -5.787 1.00 2.04 H new ATOM 0 HZ3 LYS A 10 -7.625 0.554 -7.368 1.00 2.04 H new ATOM 149 N ILE A 11 -1.197 -2.020 -4.063 1.00 0.36 N ATOM 150 CA ILE A 11 0.232 -2.309 -4.065 1.00 0.36 C ATOM 151 C ILE A 11 0.713 -2.687 -5.464 1.00 0.32 C ATOM 152 O ILE A 11 0.078 -3.483 -6.155 1.00 0.38 O ATOM 153 CB ILE A 11 0.568 -3.451 -3.084 1.00 0.41 C ATOM 154 CG1 ILE A 11 0.146 -3.073 -1.663 1.00 0.48 C ATOM 155 CG2 ILE A 11 2.055 -3.779 -3.129 1.00 0.43 C ATOM 156 CD1 ILE A 11 0.401 -4.163 -0.643 1.00 0.56 C ATOM 0 H ILE A 11 -1.778 -2.776 -3.700 1.00 0.36 H new ATOM 0 HA ILE A 11 0.746 -1.402 -3.745 1.00 0.36 H new ATOM 0 HB ILE A 11 0.013 -4.339 -3.387 1.00 0.41 H new ATOM 0 HG12 ILE A 11 0.682 -2.173 -1.362 1.00 0.48 H new ATOM 0 HG13 ILE A 11 -0.916 -2.827 -1.662 1.00 0.48 H new ATOM 0 HG21 ILE A 11 2.271 -4.587 -2.430 1.00 0.43 H new ATOM 0 HG22 ILE A 11 2.329 -4.089 -4.137 1.00 0.43 H new ATOM 0 HG23 ILE A 11 2.631 -2.896 -2.852 1.00 0.43 H new ATOM 0 HD11 ILE A 11 0.077 -3.824 0.341 1.00 0.56 H new ATOM 0 HD12 ILE A 11 -0.156 -5.058 -0.920 1.00 0.56 H new ATOM 0 HD13 ILE A 11 1.466 -4.393 -0.615 1.00 0.56 H new ATOM 167 N THR A 12 1.839 -2.109 -5.870 1.00 0.28 N ATOM 168 CA THR A 12 2.412 -2.385 -7.182 1.00 0.27 C ATOM 169 C THR A 12 3.921 -2.584 -7.078 1.00 0.27 C ATOM 170 O THR A 12 4.702 -1.876 -7.714 1.00 0.30 O ATOM 171 CB THR A 12 2.121 -1.245 -8.177 1.00 0.30 C ATOM 172 OG1 THR A 12 0.721 -0.940 -8.173 1.00 0.91 O ATOM 173 CG2 THR A 12 2.553 -1.634 -9.583 1.00 0.97 C ATOM 0 H THR A 12 2.373 -1.446 -5.308 1.00 0.28 H new ATOM 0 HA THR A 12 1.946 -3.299 -7.551 1.00 0.27 H new ATOM 0 HB THR A 12 2.687 -0.366 -7.868 1.00 0.30 H new ATOM 0 HG1 THR A 12 0.487 -0.465 -8.998 1.00 0.91 H new ATOM 0 HG21 THR A 12 2.338 -0.815 -10.269 1.00 0.97 H new ATOM 0 HG22 THR A 12 3.623 -1.843 -9.590 1.00 0.97 H new ATOM 0 HG23 THR A 12 2.008 -2.524 -9.898 1.00 0.97 H new ATOM 181 N GLY A 13 4.322 -3.554 -6.264 1.00 0.29 N ATOM 182 CA GLY A 13 5.732 -3.838 -6.078 1.00 0.33 C ATOM 183 C GLY A 13 6.440 -4.187 -7.372 1.00 0.37 C ATOM 184 O GLY A 13 6.549 -5.358 -7.731 1.00 0.45 O ATOM 0 H GLY A 13 3.692 -4.151 -5.728 1.00 0.29 H new ATOM 0 HA2 GLY A 13 6.216 -2.971 -5.628 1.00 0.33 H new ATOM 0 HA3 GLY A 13 5.841 -4.664 -5.376 1.00 0.33 H new ATOM 188 N PHE A 14 6.923 -3.166 -8.072 1.00 0.34 N ATOM 189 CA PHE A 14 7.633 -3.370 -9.330 1.00 0.41 C ATOM 190 C PHE A 14 8.718 -2.315 -9.514 1.00 0.39 C ATOM 191 O PHE A 14 8.455 -1.217 -10.003 1.00 0.43 O ATOM 192 CB PHE A 14 6.657 -3.325 -10.507 1.00 0.50 C ATOM 193 CG PHE A 14 7.328 -3.457 -11.845 1.00 0.60 C ATOM 194 CD1 PHE A 14 7.563 -4.705 -12.398 1.00 0.70 C ATOM 195 CD2 PHE A 14 7.724 -2.329 -12.548 1.00 0.69 C ATOM 196 CE1 PHE A 14 8.180 -4.828 -13.630 1.00 0.81 C ATOM 197 CE2 PHE A 14 8.342 -2.446 -13.780 1.00 0.79 C ATOM 198 CZ PHE A 14 8.570 -3.696 -14.321 1.00 0.81 C ATOM 0 H PHE A 14 6.836 -2.190 -7.790 1.00 0.34 H new ATOM 0 HA PHE A 14 8.104 -4.352 -9.298 1.00 0.41 H new ATOM 0 HB2 PHE A 14 5.927 -4.126 -10.395 1.00 0.50 H new ATOM 0 HB3 PHE A 14 6.106 -2.385 -10.477 1.00 0.50 H new ATOM 0 HD1 PHE A 14 7.261 -5.592 -11.861 1.00 0.70 H new ATOM 0 HD2 PHE A 14 7.548 -1.349 -12.129 1.00 0.69 H new ATOM 0 HE1 PHE A 14 8.357 -5.807 -14.051 1.00 0.81 H new ATOM 0 HE2 PHE A 14 8.646 -1.560 -14.318 1.00 0.79 H new ATOM 0 HZ PHE A 14 9.052 -3.789 -15.283 1.00 0.81 H new ATOM 207 N SER A 15 9.940 -2.655 -9.117 1.00 0.40 N ATOM 208 CA SER A 15 11.066 -1.736 -9.238 1.00 0.41 C ATOM 209 C SER A 15 11.927 -2.088 -10.444 1.00 0.43 C ATOM 210 O SER A 15 11.593 -2.981 -11.222 1.00 0.48 O ATOM 211 CB SER A 15 11.918 -1.767 -7.968 1.00 0.39 C ATOM 212 OG SER A 15 11.126 -1.538 -6.816 1.00 0.76 O ATOM 0 H SER A 15 10.176 -3.560 -8.709 1.00 0.40 H new ATOM 0 HA SER A 15 10.667 -0.731 -9.376 1.00 0.41 H new ATOM 0 HB2 SER A 15 12.416 -2.733 -7.884 1.00 0.39 H new ATOM 0 HB3 SER A 15 12.699 -1.010 -8.032 1.00 0.39 H new ATOM 0 HG SER A 15 10.307 -1.064 -7.071 1.00 0.76 H new ATOM 217 N ARG A 16 13.040 -1.380 -10.591 1.00 0.57 N ATOM 218 CA ARG A 16 13.956 -1.614 -11.699 1.00 0.61 C ATOM 219 C ARG A 16 14.949 -2.721 -11.361 1.00 0.59 C ATOM 220 O ARG A 16 15.463 -3.402 -12.249 1.00 0.63 O ATOM 221 CB ARG A 16 14.708 -0.328 -12.049 1.00 0.69 C ATOM 222 CG ARG A 16 13.829 0.752 -12.666 1.00 1.14 C ATOM 223 CD ARG A 16 12.703 1.163 -11.729 1.00 1.37 C ATOM 224 NE ARG A 16 11.994 2.346 -12.214 1.00 2.19 N ATOM 225 CZ ARG A 16 10.945 2.878 -11.597 1.00 2.67 C ATOM 226 NH1 ARG A 16 10.483 2.334 -10.480 1.00 2.41 N ATOM 227 NH2 ARG A 16 10.356 3.956 -12.097 1.00 3.58 N ATOM 0 H ARG A 16 13.330 -0.637 -9.955 1.00 0.57 H new ATOM 0 HA ARG A 16 13.368 -1.929 -12.561 1.00 0.61 H new ATOM 0 HB2 ARG A 16 15.172 0.067 -11.145 1.00 0.69 H new ATOM 0 HB3 ARG A 16 15.514 -0.567 -12.743 1.00 0.69 H new ATOM 0 HG2 ARG A 16 14.438 1.623 -12.907 1.00 1.14 H new ATOM 0 HG3 ARG A 16 13.408 0.388 -13.603 1.00 1.14 H new ATOM 0 HD2 ARG A 16 12.000 0.337 -11.622 1.00 1.37 H new ATOM 0 HD3 ARG A 16 13.111 1.365 -10.738 1.00 1.37 H new ATOM 0 HE ARG A 16 12.323 2.787 -13.073 1.00 2.19 H new ATOM 0 HH11 ARG A 16 10.933 1.505 -10.092 1.00 2.41 H new ATOM 0 HH12 ARG A 16 9.677 2.745 -10.008 1.00 2.41 H new ATOM 0 HH21 ARG A 16 10.709 4.377 -12.956 1.00 3.58 H new ATOM 0 HH22 ARG A 16 9.550 4.364 -11.622 1.00 3.58 H new ATOM 238 N ASP A 17 15.217 -2.897 -10.070 1.00 0.58 N ATOM 239 CA ASP A 17 16.153 -3.919 -9.617 1.00 0.63 C ATOM 240 C ASP A 17 15.682 -4.555 -8.314 1.00 0.57 C ATOM 241 O ASP A 17 16.493 -5.006 -7.504 1.00 0.62 O ATOM 242 CB ASP A 17 17.546 -3.317 -9.427 1.00 0.77 C ATOM 243 CG ASP A 17 17.570 -2.243 -8.356 1.00 1.61 C ATOM 244 OD1 ASP A 17 17.345 -1.061 -8.695 1.00 2.48 O ATOM 245 OD2 ASP A 17 17.812 -2.583 -7.179 1.00 1.86 O ATOM 0 H ASP A 17 14.799 -2.345 -9.321 1.00 0.58 H new ATOM 0 HA ASP A 17 16.199 -4.694 -10.382 1.00 0.63 H new ATOM 0 HB2 ASP A 17 18.247 -4.108 -9.161 1.00 0.77 H new ATOM 0 HB3 ASP A 17 17.887 -2.893 -10.371 1.00 0.77 H new ATOM 249 N ILE A 18 14.366 -4.597 -8.117 1.00 0.51 N ATOM 250 CA ILE A 18 13.785 -5.177 -6.909 1.00 0.50 C ATOM 251 C ILE A 18 14.469 -6.494 -6.537 1.00 0.50 C ATOM 252 O ILE A 18 14.456 -7.454 -7.308 1.00 0.57 O ATOM 253 CB ILE A 18 12.271 -5.420 -7.075 1.00 0.48 C ATOM 254 CG1 ILE A 18 11.683 -6.028 -5.800 1.00 0.52 C ATOM 255 CG2 ILE A 18 12.000 -6.321 -8.270 1.00 0.47 C ATOM 256 CD1 ILE A 18 10.194 -6.286 -5.885 1.00 0.56 C ATOM 0 H ILE A 18 13.681 -4.235 -8.780 1.00 0.51 H new ATOM 0 HA ILE A 18 13.944 -4.456 -6.107 1.00 0.50 H new ATOM 0 HB ILE A 18 11.787 -4.460 -7.254 1.00 0.48 H new ATOM 0 HG12 ILE A 18 12.195 -6.966 -5.585 1.00 0.52 H new ATOM 0 HG13 ILE A 18 11.880 -5.358 -4.963 1.00 0.52 H new ATOM 0 HG21 ILE A 18 10.926 -6.480 -8.370 1.00 0.47 H new ATOM 0 HG22 ILE A 18 12.383 -5.850 -9.175 1.00 0.47 H new ATOM 0 HG23 ILE A 18 12.497 -7.280 -8.123 1.00 0.47 H new ATOM 0 HD11 ILE A 18 9.845 -6.717 -4.947 1.00 0.56 H new ATOM 0 HD12 ILE A 18 9.672 -5.347 -6.069 1.00 0.56 H new ATOM 0 HD13 ILE A 18 9.991 -6.980 -6.701 1.00 0.56 H new ATOM 267 N SER A 19 15.069 -6.525 -5.352 1.00 0.57 N ATOM 268 CA SER A 19 15.758 -7.717 -4.873 1.00 0.59 C ATOM 269 C SER A 19 14.763 -8.723 -4.298 1.00 0.52 C ATOM 270 O SER A 19 13.664 -8.352 -3.884 1.00 0.50 O ATOM 271 CB SER A 19 16.796 -7.341 -3.813 1.00 0.70 C ATOM 272 OG SER A 19 16.191 -6.669 -2.721 1.00 1.50 O ATOM 0 H SER A 19 15.092 -5.737 -4.705 1.00 0.57 H new ATOM 0 HA SER A 19 16.267 -8.179 -5.719 1.00 0.59 H new ATOM 0 HB2 SER A 19 17.299 -8.240 -3.457 1.00 0.70 H new ATOM 0 HB3 SER A 19 17.560 -6.704 -4.258 1.00 0.70 H new ATOM 0 HG SER A 19 16.875 -6.441 -2.057 1.00 1.50 H new ATOM 277 N PRO A 20 15.139 -10.015 -4.265 1.00 0.54 N ATOM 278 CA PRO A 20 14.275 -11.076 -3.737 1.00 0.51 C ATOM 279 C PRO A 20 13.876 -10.832 -2.288 1.00 0.53 C ATOM 280 O PRO A 20 12.797 -11.231 -1.856 1.00 0.51 O ATOM 281 CB PRO A 20 15.135 -12.341 -3.848 1.00 0.55 C ATOM 282 CG PRO A 20 16.533 -11.848 -4.001 1.00 0.61 C ATOM 283 CD PRO A 20 16.426 -10.543 -4.734 1.00 0.61 C ATOM 0 HA PRO A 20 13.336 -11.138 -4.286 1.00 0.51 H new ATOM 0 HB2 PRO A 20 15.032 -12.966 -2.961 1.00 0.55 H new ATOM 0 HB3 PRO A 20 14.835 -12.948 -4.702 1.00 0.55 H new ATOM 0 HG2 PRO A 20 17.009 -11.714 -3.030 1.00 0.61 H new ATOM 0 HG3 PRO A 20 17.141 -12.561 -4.558 1.00 0.61 H new ATOM 0 HD2 PRO A 20 17.251 -9.873 -4.491 1.00 0.61 H new ATOM 0 HD3 PRO A 20 16.437 -10.683 -5.815 1.00 0.61 H new ATOM 288 N ALA A 21 14.753 -10.178 -1.534 1.00 0.58 N ATOM 289 CA ALA A 21 14.476 -9.881 -0.135 1.00 0.64 C ATOM 290 C ALA A 21 13.110 -9.219 0.017 1.00 0.62 C ATOM 291 O ALA A 21 12.322 -9.589 0.887 1.00 0.65 O ATOM 292 CB ALA A 21 15.564 -8.987 0.441 1.00 0.71 C ATOM 0 H ALA A 21 15.658 -9.845 -1.867 1.00 0.58 H new ATOM 0 HA ALA A 21 14.465 -10.820 0.419 1.00 0.64 H new ATOM 0 HB1 ALA A 21 15.344 -8.773 1.487 1.00 0.71 H new ATOM 0 HB2 ALA A 21 16.527 -9.493 0.369 1.00 0.71 H new ATOM 0 HB3 ALA A 21 15.602 -8.053 -0.120 1.00 0.71 H new ATOM 298 N TYR A 22 12.837 -8.240 -0.839 1.00 0.60 N ATOM 299 CA TYR A 22 11.566 -7.525 -0.809 1.00 0.61 C ATOM 300 C TYR A 22 10.502 -8.260 -1.621 1.00 0.54 C ATOM 301 O TYR A 22 9.332 -8.300 -1.237 1.00 0.57 O ATOM 302 CB TYR A 22 11.744 -6.104 -1.349 1.00 0.66 C ATOM 303 CG TYR A 22 12.717 -5.267 -0.549 1.00 0.90 C ATOM 304 CD1 TYR A 22 14.083 -5.329 -0.797 1.00 1.28 C ATOM 305 CD2 TYR A 22 12.270 -4.415 0.453 1.00 0.99 C ATOM 306 CE1 TYR A 22 14.975 -4.565 -0.068 1.00 1.72 C ATOM 307 CE2 TYR A 22 13.156 -3.648 1.186 1.00 1.34 C ATOM 308 CZ TYR A 22 14.505 -3.729 0.925 1.00 1.72 C ATOM 309 OH TYR A 22 15.391 -2.966 1.649 1.00 2.17 O ATOM 0 H TYR A 22 13.481 -7.923 -1.564 1.00 0.60 H new ATOM 0 HA TYR A 22 11.233 -7.476 0.228 1.00 0.61 H new ATOM 0 HB2 TYR A 22 12.088 -6.158 -2.382 1.00 0.66 H new ATOM 0 HB3 TYR A 22 10.775 -5.606 -1.362 1.00 0.66 H new ATOM 0 HD1 TYR A 22 14.453 -5.984 -1.571 1.00 1.28 H new ATOM 0 HD2 TYR A 22 11.213 -4.351 0.663 1.00 0.99 H new ATOM 0 HE1 TYR A 22 16.034 -4.622 -0.274 1.00 1.72 H new ATOM 0 HE2 TYR A 22 12.792 -2.988 1.960 1.00 1.34 H new ATOM 0 HH TYR A 22 14.900 -2.432 2.308 1.00 2.17 H new ATOM 318 N ARG A 23 10.915 -8.842 -2.743 1.00 0.48 N ATOM 319 CA ARG A 23 9.996 -9.571 -3.613 1.00 0.44 C ATOM 320 C ARG A 23 9.537 -10.872 -2.961 1.00 0.45 C ATOM 321 O ARG A 23 8.347 -11.066 -2.713 1.00 0.45 O ATOM 322 CB ARG A 23 10.665 -9.871 -4.955 1.00 0.45 C ATOM 323 CG ARG A 23 9.783 -10.654 -5.915 1.00 0.54 C ATOM 324 CD ARG A 23 8.602 -9.823 -6.390 1.00 0.53 C ATOM 325 NE ARG A 23 7.730 -10.576 -7.288 1.00 0.70 N ATOM 326 CZ ARG A 23 6.859 -10.008 -8.115 1.00 1.08 C ATOM 327 NH1 ARG A 23 6.751 -8.688 -8.165 1.00 1.57 N ATOM 328 NH2 ARG A 23 6.095 -10.760 -8.896 1.00 1.47 N ATOM 0 H ARG A 23 11.880 -8.823 -3.072 1.00 0.48 H new ATOM 0 HA ARG A 23 9.121 -8.943 -3.779 1.00 0.44 H new ATOM 0 HB2 ARG A 23 10.954 -8.931 -5.425 1.00 0.45 H new ATOM 0 HB3 ARG A 23 11.582 -10.433 -4.777 1.00 0.45 H new ATOM 0 HG2 ARG A 23 10.373 -10.974 -6.774 1.00 0.54 H new ATOM 0 HG3 ARG A 23 9.420 -11.557 -5.423 1.00 0.54 H new ATOM 0 HD2 ARG A 23 8.028 -9.483 -5.528 1.00 0.53 H new ATOM 0 HD3 ARG A 23 8.967 -8.933 -6.902 1.00 0.53 H new ATOM 0 HE ARG A 23 7.793 -11.594 -7.280 1.00 0.70 H new ATOM 0 HH11 ARG A 23 7.337 -8.105 -7.568 1.00 1.57 H new ATOM 0 HH12 ARG A 23 6.081 -8.255 -8.801 1.00 1.57 H new ATOM 0 HH21 ARG A 23 6.176 -11.776 -8.862 1.00 1.47 H new ATOM 0 HH22 ARG A 23 5.427 -10.322 -9.530 1.00 1.47 H new ATOM 339 N GLN A 24 10.487 -11.759 -2.688 1.00 0.49 N ATOM 340 CA GLN A 24 10.181 -13.043 -2.066 1.00 0.55 C ATOM 341 C GLN A 24 9.450 -12.858 -0.740 1.00 0.58 C ATOM 342 O GLN A 24 8.785 -13.775 -0.256 1.00 0.66 O ATOM 343 CB GLN A 24 11.467 -13.842 -1.844 1.00 0.69 C ATOM 344 CG GLN A 24 11.239 -15.187 -1.172 1.00 1.52 C ATOM 345 CD GLN A 24 10.337 -16.098 -1.981 1.00 2.03 C ATOM 346 OE1 GLN A 24 9.116 -16.077 -1.829 1.00 2.61 O ATOM 347 NE2 GLN A 24 10.938 -16.905 -2.849 1.00 2.69 N ATOM 0 H GLN A 24 11.477 -11.613 -2.888 1.00 0.49 H new ATOM 0 HA GLN A 24 9.526 -13.593 -2.741 1.00 0.55 H new ATOM 0 HB2 GLN A 24 11.955 -14.003 -2.805 1.00 0.69 H new ATOM 0 HB3 GLN A 24 12.151 -13.252 -1.234 1.00 0.69 H new ATOM 0 HG2 GLN A 24 12.199 -15.678 -1.016 1.00 1.52 H new ATOM 0 HG3 GLN A 24 10.799 -15.027 -0.188 1.00 1.52 H new ATOM 0 HE21 GLN A 24 11.954 -16.889 -2.942 1.00 2.69 H new ATOM 0 HE22 GLN A 24 10.384 -17.541 -3.423 1.00 2.69 H new ATOM 354 N LYS A 25 9.574 -11.670 -0.153 1.00 0.59 N ATOM 355 CA LYS A 25 8.923 -11.375 1.115 1.00 0.68 C ATOM 356 C LYS A 25 7.409 -11.281 0.935 1.00 0.61 C ATOM 357 O LYS A 25 6.646 -11.909 1.669 1.00 0.71 O ATOM 358 CB LYS A 25 9.477 -10.067 1.691 1.00 0.79 C ATOM 359 CG LYS A 25 8.666 -9.515 2.852 1.00 0.99 C ATOM 360 CD LYS A 25 9.246 -8.210 3.370 1.00 1.43 C ATOM 361 CE LYS A 25 10.627 -8.414 3.970 1.00 2.05 C ATOM 362 NZ LYS A 25 10.598 -9.353 5.125 1.00 2.59 N ATOM 0 H LYS A 25 10.119 -10.898 -0.537 1.00 0.59 H new ATOM 0 HA LYS A 25 9.131 -12.186 1.813 1.00 0.68 H new ATOM 0 HB2 LYS A 25 10.502 -10.232 2.022 1.00 0.79 H new ATOM 0 HB3 LYS A 25 9.515 -9.319 0.899 1.00 0.79 H new ATOM 0 HG2 LYS A 25 7.636 -9.355 2.533 1.00 0.99 H new ATOM 0 HG3 LYS A 25 8.640 -10.248 3.659 1.00 0.99 H new ATOM 0 HD2 LYS A 25 9.305 -7.488 2.555 1.00 1.43 H new ATOM 0 HD3 LYS A 25 8.580 -7.788 4.122 1.00 1.43 H new ATOM 0 HE2 LYS A 25 11.301 -8.800 3.206 1.00 2.05 H new ATOM 0 HE3 LYS A 25 11.028 -7.453 4.293 1.00 2.05 H new ATOM 0 HZ1 LYS A 25 11.494 -9.286 5.650 1.00 2.59 H new ATOM 0 HZ2 LYS A 25 9.808 -9.105 5.755 1.00 2.59 H new ATOM 0 HZ3 LYS A 25 10.472 -10.325 4.779 1.00 2.59 H new ATOM 372 N LEU A 26 6.984 -10.492 -0.045 1.00 0.55 N ATOM 373 CA LEU A 26 5.564 -10.311 -0.320 1.00 0.57 C ATOM 374 C LEU A 26 4.903 -11.638 -0.673 1.00 0.60 C ATOM 375 O LEU A 26 3.762 -11.897 -0.288 1.00 0.68 O ATOM 376 CB LEU A 26 5.371 -9.310 -1.461 1.00 0.55 C ATOM 377 CG LEU A 26 6.059 -7.959 -1.260 1.00 0.69 C ATOM 378 CD1 LEU A 26 5.745 -7.022 -2.415 1.00 1.30 C ATOM 379 CD2 LEU A 26 5.638 -7.338 0.064 1.00 1.29 C ATOM 0 H LEU A 26 7.603 -9.967 -0.663 1.00 0.55 H new ATOM 0 HA LEU A 26 5.091 -9.922 0.581 1.00 0.57 H new ATOM 0 HB2 LEU A 26 5.744 -9.757 -2.383 1.00 0.55 H new ATOM 0 HB3 LEU A 26 4.303 -9.140 -1.598 1.00 0.55 H new ATOM 0 HG LEU A 26 7.136 -8.122 -1.235 1.00 0.69 H new ATOM 0 HD11 LEU A 26 6.243 -6.066 -2.254 1.00 1.30 H new ATOM 0 HD12 LEU A 26 6.098 -7.463 -3.347 1.00 1.30 H new ATOM 0 HD13 LEU A 26 4.668 -6.864 -2.473 1.00 1.30 H new ATOM 0 HD21 LEU A 26 6.137 -6.377 0.190 1.00 1.29 H new ATOM 0 HD22 LEU A 26 4.558 -7.189 0.069 1.00 1.29 H new ATOM 0 HD23 LEU A 26 5.917 -8.002 0.882 1.00 1.29 H new ATOM 390 N LEU A 27 5.626 -12.478 -1.407 1.00 0.59 N ATOM 391 CA LEU A 27 5.112 -13.777 -1.814 1.00 0.71 C ATOM 392 C LEU A 27 4.632 -14.585 -0.612 1.00 0.82 C ATOM 393 O LEU A 27 3.771 -15.454 -0.739 1.00 0.95 O ATOM 394 CB LEU A 27 6.187 -14.559 -2.571 1.00 0.75 C ATOM 395 CG LEU A 27 6.702 -13.886 -3.845 1.00 0.71 C ATOM 396 CD1 LEU A 27 7.670 -14.802 -4.578 1.00 0.82 C ATOM 397 CD2 LEU A 27 5.542 -13.497 -4.750 1.00 0.77 C ATOM 0 H LEU A 27 6.572 -12.280 -1.732 1.00 0.59 H new ATOM 0 HA LEU A 27 4.260 -13.607 -2.472 1.00 0.71 H new ATOM 0 HB2 LEU A 27 7.030 -14.728 -1.902 1.00 0.75 H new ATOM 0 HB3 LEU A 27 5.786 -15.538 -2.832 1.00 0.75 H new ATOM 0 HG LEU A 27 7.236 -12.978 -3.563 1.00 0.71 H new ATOM 0 HD11 LEU A 27 8.026 -14.307 -5.481 1.00 0.82 H new ATOM 0 HD12 LEU A 27 8.517 -15.029 -3.931 1.00 0.82 H new ATOM 0 HD13 LEU A 27 7.161 -15.728 -4.848 1.00 0.82 H new ATOM 0 HD21 LEU A 27 5.928 -13.020 -5.651 1.00 0.77 H new ATOM 0 HD22 LEU A 27 4.979 -14.389 -5.024 1.00 0.77 H new ATOM 0 HD23 LEU A 27 4.887 -12.803 -4.224 1.00 0.77 H new ATOM 408 N SER A 28 5.196 -14.292 0.556 1.00 0.84 N ATOM 409 CA SER A 28 4.825 -14.995 1.780 1.00 0.98 C ATOM 410 C SER A 28 3.314 -14.972 1.985 1.00 0.89 C ATOM 411 O SER A 28 2.706 -15.994 2.309 1.00 0.99 O ATOM 412 CB SER A 28 5.524 -14.365 2.987 1.00 1.15 C ATOM 413 OG SER A 28 6.933 -14.420 2.847 1.00 1.64 O ATOM 0 H SER A 28 5.910 -13.574 0.681 1.00 0.84 H new ATOM 0 HA SER A 28 5.145 -16.033 1.684 1.00 0.98 H new ATOM 0 HB2 SER A 28 5.206 -13.328 3.095 1.00 1.15 H new ATOM 0 HB3 SER A 28 5.225 -14.886 3.897 1.00 1.15 H new ATOM 0 HG SER A 28 7.251 -13.601 2.412 1.00 1.64 H new ATOM 418 N LEU A 29 2.712 -13.803 1.795 1.00 0.78 N ATOM 419 CA LEU A 29 1.272 -13.648 1.957 1.00 0.78 C ATOM 420 C LEU A 29 0.555 -13.742 0.614 1.00 0.74 C ATOM 421 O LEU A 29 -0.635 -14.052 0.557 1.00 0.82 O ATOM 422 CB LEU A 29 0.951 -12.306 2.621 1.00 0.86 C ATOM 423 CG LEU A 29 1.423 -12.168 4.070 1.00 1.06 C ATOM 424 CD1 LEU A 29 0.729 -13.192 4.955 1.00 1.64 C ATOM 425 CD2 LEU A 29 2.934 -12.322 4.158 1.00 1.42 C ATOM 0 H LEU A 29 3.200 -12.948 1.528 1.00 0.78 H new ATOM 0 HA LEU A 29 0.919 -14.458 2.595 1.00 0.78 H new ATOM 0 HB2 LEU A 29 1.403 -11.509 2.031 1.00 0.86 H new ATOM 0 HB3 LEU A 29 -0.128 -12.152 2.591 1.00 0.86 H new ATOM 0 HG LEU A 29 1.160 -11.171 4.424 1.00 1.06 H new ATOM 0 HD11 LEU A 29 1.076 -13.080 5.982 1.00 1.64 H new ATOM 0 HD12 LEU A 29 -0.349 -13.035 4.917 1.00 1.64 H new ATOM 0 HD13 LEU A 29 0.962 -14.196 4.601 1.00 1.64 H new ATOM 0 HD21 LEU A 29 3.250 -12.221 5.196 1.00 1.42 H new ATOM 0 HD22 LEU A 29 3.222 -13.305 3.785 1.00 1.42 H new ATOM 0 HD23 LEU A 29 3.414 -11.551 3.556 1.00 1.42 H new ATOM 436 N GLY A 30 1.285 -13.476 -0.463 1.00 0.68 N ATOM 437 CA GLY A 30 0.697 -13.535 -1.789 1.00 0.73 C ATOM 438 C GLY A 30 0.384 -12.158 -2.340 1.00 0.71 C ATOM 439 O GLY A 30 -0.475 -12.008 -3.208 1.00 0.82 O ATOM 0 H GLY A 30 2.272 -13.221 -0.442 1.00 0.68 H new ATOM 0 HA2 GLY A 30 1.381 -14.048 -2.465 1.00 0.73 H new ATOM 0 HA3 GLY A 30 -0.218 -14.126 -1.753 1.00 0.73 H new ATOM 443 N MET A 31 1.088 -11.152 -1.834 1.00 0.63 N ATOM 444 CA MET A 31 0.883 -9.777 -2.270 1.00 0.66 C ATOM 445 C MET A 31 1.678 -9.477 -3.536 1.00 0.56 C ATOM 446 O MET A 31 2.829 -9.042 -3.470 1.00 0.54 O ATOM 447 CB MET A 31 1.287 -8.812 -1.156 1.00 0.74 C ATOM 448 CG MET A 31 0.499 -9.003 0.129 1.00 0.94 C ATOM 449 SD MET A 31 1.162 -8.036 1.498 1.00 1.95 S ATOM 450 CE MET A 31 2.803 -8.738 1.638 1.00 2.55 C ATOM 0 H MET A 31 1.807 -11.264 -1.120 1.00 0.63 H new ATOM 0 HA MET A 31 -0.175 -9.645 -2.496 1.00 0.66 H new ATOM 0 HB2 MET A 31 2.349 -8.939 -0.944 1.00 0.74 H new ATOM 0 HB3 MET A 31 1.152 -7.789 -1.506 1.00 0.74 H new ATOM 0 HG2 MET A 31 -0.540 -8.721 -0.041 1.00 0.94 H new ATOM 0 HG3 MET A 31 0.502 -10.059 0.400 1.00 0.94 H new ATOM 0 HE1 MET A 31 3.520 -7.946 1.853 1.00 2.55 H new ATOM 0 HE2 MET A 31 2.818 -9.470 2.445 1.00 2.55 H new ATOM 0 HE3 MET A 31 3.071 -9.226 0.701 1.00 2.55 H new ATOM 458 N LEU A 32 1.059 -9.714 -4.689 1.00 0.56 N ATOM 459 CA LEU A 32 1.709 -9.465 -5.970 1.00 0.49 C ATOM 460 C LEU A 32 1.295 -8.110 -6.534 1.00 0.44 C ATOM 461 O LEU A 32 0.254 -7.567 -6.162 1.00 0.45 O ATOM 462 CB LEU A 32 1.358 -10.567 -6.973 1.00 0.52 C ATOM 463 CG LEU A 32 1.885 -11.962 -6.626 1.00 0.59 C ATOM 464 CD1 LEU A 32 1.196 -12.504 -5.384 1.00 0.69 C ATOM 465 CD2 LEU A 32 1.690 -12.908 -7.802 1.00 0.66 C ATOM 0 H LEU A 32 0.109 -10.078 -4.762 1.00 0.56 H new ATOM 0 HA LEU A 32 2.786 -9.463 -5.803 1.00 0.49 H new ATOM 0 HB2 LEU A 32 0.273 -10.619 -7.065 1.00 0.52 H new ATOM 0 HB3 LEU A 32 1.747 -10.283 -7.951 1.00 0.52 H new ATOM 0 HG LEU A 32 2.952 -11.885 -6.416 1.00 0.59 H new ATOM 0 HD11 LEU A 32 1.585 -13.496 -5.156 1.00 0.69 H new ATOM 0 HD12 LEU A 32 1.385 -11.837 -4.543 1.00 0.69 H new ATOM 0 HD13 LEU A 32 0.123 -12.568 -5.562 1.00 0.69 H new ATOM 0 HD21 LEU A 32 2.069 -13.896 -7.541 1.00 0.66 H new ATOM 0 HD22 LEU A 32 0.629 -12.978 -8.041 1.00 0.66 H new ATOM 0 HD23 LEU A 32 2.232 -12.528 -8.668 1.00 0.66 H new ATOM 476 N PRO A 33 2.107 -7.544 -7.443 1.00 0.41 N ATOM 477 CA PRO A 33 1.814 -6.252 -8.059 1.00 0.40 C ATOM 478 C PRO A 33 0.363 -6.155 -8.519 1.00 0.38 C ATOM 479 O PRO A 33 -0.038 -6.808 -9.483 1.00 0.51 O ATOM 480 CB PRO A 33 2.762 -6.211 -9.254 1.00 0.43 C ATOM 481 CG PRO A 33 3.923 -7.051 -8.843 1.00 0.45 C ATOM 482 CD PRO A 33 3.370 -8.122 -7.940 1.00 0.43 C ATOM 0 HA PRO A 33 1.949 -5.422 -7.366 1.00 0.40 H new ATOM 0 HB2 PRO A 33 2.286 -6.605 -10.152 1.00 0.43 H new ATOM 0 HB3 PRO A 33 3.071 -5.190 -9.480 1.00 0.43 H new ATOM 0 HG2 PRO A 33 4.413 -7.490 -9.712 1.00 0.45 H new ATOM 0 HG3 PRO A 33 4.672 -6.453 -8.324 1.00 0.45 H new ATOM 0 HD2 PRO A 33 3.199 -9.053 -8.481 1.00 0.43 H new ATOM 0 HD3 PRO A 33 4.055 -8.350 -7.123 1.00 0.43 H new ATOM 487 N GLY A 34 -0.418 -5.339 -7.822 1.00 0.34 N ATOM 488 CA GLY A 34 -1.817 -5.177 -8.169 1.00 0.33 C ATOM 489 C GLY A 34 -2.745 -5.591 -7.042 1.00 0.31 C ATOM 490 O GLY A 34 -3.869 -6.027 -7.285 1.00 0.40 O ATOM 0 H GLY A 34 -0.108 -4.787 -7.023 1.00 0.34 H new ATOM 0 HA2 GLY A 34 -2.006 -4.135 -8.427 1.00 0.33 H new ATOM 0 HA3 GLY A 34 -2.040 -5.771 -9.056 1.00 0.33 H new ATOM 494 N SER A 35 -2.271 -5.453 -5.807 1.00 0.28 N ATOM 495 CA SER A 35 -3.065 -5.815 -4.639 1.00 0.28 C ATOM 496 C SER A 35 -3.755 -4.586 -4.057 1.00 0.28 C ATOM 497 O SER A 35 -3.526 -3.466 -4.508 1.00 0.37 O ATOM 498 CB SER A 35 -2.181 -6.470 -3.576 1.00 0.31 C ATOM 499 OG SER A 35 -2.939 -6.829 -2.432 1.00 0.62 O ATOM 0 H SER A 35 -1.341 -5.093 -5.590 1.00 0.28 H new ATOM 0 HA SER A 35 -3.828 -6.528 -4.953 1.00 0.28 H new ATOM 0 HB2 SER A 35 -1.703 -7.357 -3.992 1.00 0.31 H new ATOM 0 HB3 SER A 35 -1.385 -5.784 -3.288 1.00 0.31 H new ATOM 0 HG SER A 35 -2.352 -7.247 -1.768 1.00 0.62 H new ATOM 504 N SER A 36 -4.605 -4.804 -3.059 1.00 0.25 N ATOM 505 CA SER A 36 -5.326 -3.711 -2.416 1.00 0.25 C ATOM 506 C SER A 36 -5.022 -3.662 -0.923 1.00 0.23 C ATOM 507 O SER A 36 -4.865 -4.700 -0.278 1.00 0.28 O ATOM 508 CB SER A 36 -6.832 -3.864 -2.638 1.00 0.30 C ATOM 509 OG SER A 36 -7.308 -5.081 -2.087 1.00 1.30 O ATOM 0 H SER A 36 -4.812 -5.727 -2.678 1.00 0.25 H new ATOM 0 HA SER A 36 -4.993 -2.776 -2.866 1.00 0.25 H new ATOM 0 HB2 SER A 36 -7.357 -3.025 -2.182 1.00 0.30 H new ATOM 0 HB3 SER A 36 -7.050 -3.834 -3.706 1.00 0.30 H new ATOM 0 HG SER A 36 -8.273 -5.154 -2.240 1.00 1.30 H new ATOM 514 N PHE A 37 -4.940 -2.453 -0.377 1.00 0.22 N ATOM 515 CA PHE A 37 -4.652 -2.273 1.042 1.00 0.23 C ATOM 516 C PHE A 37 -5.158 -0.920 1.534 1.00 0.23 C ATOM 517 O PHE A 37 -5.780 -0.170 0.782 1.00 0.33 O ATOM 518 CB PHE A 37 -3.148 -2.392 1.295 1.00 0.25 C ATOM 519 CG PHE A 37 -2.354 -1.224 0.781 1.00 0.26 C ATOM 520 CD1 PHE A 37 -2.253 -0.983 -0.579 1.00 0.32 C ATOM 521 CD2 PHE A 37 -1.710 -0.368 1.660 1.00 0.27 C ATOM 522 CE1 PHE A 37 -1.525 0.094 -1.053 1.00 0.36 C ATOM 523 CE2 PHE A 37 -0.981 0.709 1.192 1.00 0.30 C ATOM 524 CZ PHE A 37 -0.888 0.940 -0.167 1.00 0.33 C ATOM 0 H PHE A 37 -5.069 -1.584 -0.895 1.00 0.22 H new ATOM 0 HA PHE A 37 -5.171 -3.056 1.596 1.00 0.23 H new ATOM 0 HB2 PHE A 37 -2.976 -2.494 2.367 1.00 0.25 H new ATOM 0 HB3 PHE A 37 -2.781 -3.304 0.825 1.00 0.25 H new ATOM 0 HD1 PHE A 37 -2.748 -1.642 -1.277 1.00 0.32 H new ATOM 0 HD2 PHE A 37 -1.778 -0.544 2.723 1.00 0.27 H new ATOM 0 HE1 PHE A 37 -1.455 0.273 -2.116 1.00 0.36 H new ATOM 0 HE2 PHE A 37 -0.485 1.369 1.888 1.00 0.30 H new ATOM 0 HZ PHE A 37 -0.318 1.780 -0.535 1.00 0.33 H new ATOM 533 N HIS A 38 -4.888 -0.616 2.799 1.00 0.21 N ATOM 534 CA HIS A 38 -5.315 0.648 3.387 1.00 0.24 C ATOM 535 C HIS A 38 -4.232 1.221 4.297 1.00 0.24 C ATOM 536 O HIS A 38 -3.641 0.503 5.103 1.00 0.40 O ATOM 537 CB HIS A 38 -6.609 0.454 4.179 1.00 0.28 C ATOM 538 CG HIS A 38 -7.114 1.711 4.817 1.00 1.17 C ATOM 539 ND1 HIS A 38 -6.769 2.099 6.095 1.00 2.13 N ATOM 540 CD2 HIS A 38 -7.946 2.672 4.348 1.00 1.98 C ATOM 541 CE1 HIS A 38 -7.367 3.241 6.385 1.00 2.94 C ATOM 542 NE2 HIS A 38 -8.086 3.608 5.340 1.00 2.82 N ATOM 0 H HIS A 38 -4.376 -1.227 3.436 1.00 0.21 H new ATOM 0 HA HIS A 38 -5.494 1.354 2.576 1.00 0.24 H new ATOM 0 HB2 HIS A 38 -7.377 0.060 3.514 1.00 0.28 H new ATOM 0 HB3 HIS A 38 -6.443 -0.295 4.953 1.00 0.28 H new ATOM 0 HD2 HIS A 38 -8.412 2.696 3.374 1.00 1.98 H new ATOM 0 HE1 HIS A 38 -7.282 3.781 7.316 1.00 2.94 H new ATOM 0 HE2 HIS A 38 -8.655 4.453 5.280 1.00 2.82 H new ATOM 550 N VAL A 39 -3.976 2.520 4.161 1.00 0.27 N ATOM 551 CA VAL A 39 -2.967 3.186 4.976 1.00 0.27 C ATOM 552 C VAL A 39 -3.361 3.182 6.447 1.00 0.28 C ATOM 553 O VAL A 39 -4.515 3.437 6.793 1.00 0.40 O ATOM 554 CB VAL A 39 -2.743 4.640 4.520 1.00 0.39 C ATOM 555 CG1 VAL A 39 -1.672 5.307 5.371 1.00 1.28 C ATOM 556 CG2 VAL A 39 -2.366 4.689 3.047 1.00 0.88 C ATOM 0 H VAL A 39 -4.452 3.129 3.496 1.00 0.27 H new ATOM 0 HA VAL A 39 -2.040 2.628 4.848 1.00 0.27 H new ATOM 0 HB VAL A 39 -3.676 5.188 4.651 1.00 0.39 H new ATOM 0 HG11 VAL A 39 -1.527 6.334 5.035 1.00 1.28 H new ATOM 0 HG12 VAL A 39 -1.985 5.308 6.415 1.00 1.28 H new ATOM 0 HG13 VAL A 39 -0.736 4.758 5.274 1.00 1.28 H new ATOM 0 HG21 VAL A 39 -2.212 5.725 2.745 1.00 0.88 H new ATOM 0 HG22 VAL A 39 -1.447 4.124 2.888 1.00 0.88 H new ATOM 0 HG23 VAL A 39 -3.168 4.253 2.451 1.00 0.88 H new ATOM 566 N VAL A 40 -2.395 2.889 7.312 1.00 0.24 N ATOM 567 CA VAL A 40 -2.641 2.850 8.748 1.00 0.34 C ATOM 568 C VAL A 40 -2.300 4.187 9.404 1.00 0.37 C ATOM 569 O VAL A 40 -3.022 4.657 10.284 1.00 0.54 O ATOM 570 CB VAL A 40 -1.831 1.724 9.424 1.00 0.41 C ATOM 571 CG1 VAL A 40 -2.056 1.723 10.929 1.00 0.54 C ATOM 572 CG2 VAL A 40 -2.198 0.374 8.826 1.00 0.43 C ATOM 0 H VAL A 40 -1.435 2.675 7.043 1.00 0.24 H new ATOM 0 HA VAL A 40 -3.704 2.650 8.885 1.00 0.34 H new ATOM 0 HB VAL A 40 -0.772 1.907 9.241 1.00 0.41 H new ATOM 0 HG11 VAL A 40 -1.475 0.921 11.383 1.00 0.54 H new ATOM 0 HG12 VAL A 40 -1.740 2.680 11.345 1.00 0.54 H new ATOM 0 HG13 VAL A 40 -3.114 1.568 11.139 1.00 0.54 H new ATOM 0 HG21 VAL A 40 -1.618 -0.410 9.313 1.00 0.43 H new ATOM 0 HG22 VAL A 40 -3.261 0.186 8.977 1.00 0.43 H new ATOM 0 HG23 VAL A 40 -1.978 0.377 7.758 1.00 0.43 H new ATOM 582 N ARG A 41 -1.199 4.794 8.974 1.00 0.27 N ATOM 583 CA ARG A 41 -0.772 6.075 9.527 1.00 0.31 C ATOM 584 C ARG A 41 0.455 6.611 8.793 1.00 0.31 C ATOM 585 O ARG A 41 1.478 5.936 8.691 1.00 0.40 O ATOM 586 CB ARG A 41 -0.467 5.934 11.018 1.00 0.40 C ATOM 587 CG ARG A 41 0.489 4.798 11.338 1.00 0.47 C ATOM 588 CD ARG A 41 0.738 4.688 12.833 1.00 0.57 C ATOM 589 NE ARG A 41 1.605 3.559 13.159 1.00 1.37 N ATOM 590 CZ ARG A 41 2.105 3.342 14.371 1.00 1.62 C ATOM 591 NH1 ARG A 41 1.831 4.177 15.363 1.00 0.94 N ATOM 592 NH2 ARG A 41 2.880 2.289 14.591 1.00 2.80 N ATOM 0 H ARG A 41 -0.588 4.422 8.247 1.00 0.27 H new ATOM 0 HA ARG A 41 -1.588 6.786 9.394 1.00 0.31 H new ATOM 0 HB2 ARG A 41 -0.042 6.869 11.384 1.00 0.40 H new ATOM 0 HB3 ARG A 41 -1.400 5.775 11.558 1.00 0.40 H new ATOM 0 HG2 ARG A 41 0.079 3.859 10.966 1.00 0.47 H new ATOM 0 HG3 ARG A 41 1.435 4.960 10.821 1.00 0.47 H new ATOM 0 HD2 ARG A 41 1.192 5.611 13.194 1.00 0.57 H new ATOM 0 HD3 ARG A 41 -0.214 4.577 13.352 1.00 0.57 H new ATOM 0 HE ARG A 41 1.840 2.901 12.416 1.00 1.37 H new ATOM 0 HH11 ARG A 41 1.235 4.988 15.197 1.00 0.94 H new ATOM 0 HH12 ARG A 41 2.216 4.008 16.292 1.00 0.94 H new ATOM 0 HH21 ARG A 41 3.093 1.645 13.830 1.00 2.80 H new ATOM 0 HH22 ARG A 41 3.263 2.123 15.522 1.00 2.80 H new ATOM 603 N VAL A 42 0.339 7.832 8.284 1.00 0.33 N ATOM 604 CA VAL A 42 1.430 8.469 7.560 1.00 0.39 C ATOM 605 C VAL A 42 1.575 9.933 7.961 1.00 0.43 C ATOM 606 O VAL A 42 0.628 10.549 8.450 1.00 0.49 O ATOM 607 CB VAL A 42 1.216 8.390 6.038 1.00 0.52 C ATOM 608 CG1 VAL A 42 2.452 8.871 5.298 1.00 0.97 C ATOM 609 CG2 VAL A 42 0.860 6.972 5.622 1.00 1.20 C ATOM 0 H VAL A 42 -0.504 8.402 8.360 1.00 0.33 H new ATOM 0 HA VAL A 42 2.340 7.929 7.822 1.00 0.39 H new ATOM 0 HB VAL A 42 0.384 9.044 5.774 1.00 0.52 H new ATOM 0 HG11 VAL A 42 2.281 8.807 4.223 1.00 0.97 H new ATOM 0 HG12 VAL A 42 2.660 9.905 5.572 1.00 0.97 H new ATOM 0 HG13 VAL A 42 3.303 8.246 5.567 1.00 0.97 H new ATOM 0 HG21 VAL A 42 0.712 6.936 4.543 1.00 1.20 H new ATOM 0 HG22 VAL A 42 1.669 6.297 5.901 1.00 1.20 H new ATOM 0 HG23 VAL A 42 -0.057 6.665 6.124 1.00 1.20 H new ATOM 619 N ALA A 43 2.765 10.485 7.752 1.00 0.47 N ATOM 620 CA ALA A 43 3.032 11.877 8.090 1.00 0.55 C ATOM 621 C ALA A 43 3.370 12.688 6.841 1.00 0.69 C ATOM 622 O ALA A 43 3.842 12.140 5.846 1.00 0.81 O ATOM 623 CB ALA A 43 4.165 11.965 9.100 1.00 0.55 C ATOM 0 H ALA A 43 3.560 9.989 7.350 1.00 0.47 H new ATOM 0 HA ALA A 43 2.130 12.299 8.534 1.00 0.55 H new ATOM 0 HB1 ALA A 43 4.355 13.010 9.344 1.00 0.55 H new ATOM 0 HB2 ALA A 43 3.888 11.425 10.006 1.00 0.55 H new ATOM 0 HB3 ALA A 43 5.066 11.522 8.675 1.00 0.55 H new ATOM 629 N PRO A 44 3.129 14.009 6.879 1.00 0.83 N ATOM 630 CA PRO A 44 3.410 14.895 5.746 1.00 1.00 C ATOM 631 C PRO A 44 4.900 15.174 5.578 1.00 0.98 C ATOM 632 O PRO A 44 5.346 15.591 4.509 1.00 1.15 O ATOM 633 CB PRO A 44 2.663 16.177 6.113 1.00 1.14 C ATOM 634 CG PRO A 44 2.643 16.185 7.603 1.00 1.34 C ATOM 635 CD PRO A 44 2.564 14.744 8.029 1.00 1.00 C ATOM 0 HA PRO A 44 3.099 14.457 4.798 1.00 1.00 H new ATOM 0 HB2 PRO A 44 3.169 17.058 5.718 1.00 1.14 H new ATOM 0 HB3 PRO A 44 1.653 16.179 5.703 1.00 1.14 H new ATOM 0 HG2 PRO A 44 3.539 16.660 8.002 1.00 1.34 H new ATOM 0 HG3 PRO A 44 1.789 16.749 7.978 1.00 1.34 H new ATOM 0 HD2 PRO A 44 3.135 14.563 8.940 1.00 1.00 H new ATOM 0 HD3 PRO A 44 1.537 14.442 8.232 1.00 1.00 H new ATOM 640 N LEU A 45 5.667 14.945 6.640 1.00 0.85 N ATOM 641 CA LEU A 45 7.107 15.174 6.606 1.00 0.90 C ATOM 642 C LEU A 45 7.846 13.929 6.121 1.00 0.91 C ATOM 643 O LEU A 45 8.430 13.924 5.038 1.00 1.23 O ATOM 644 CB LEU A 45 7.614 15.578 7.993 1.00 0.90 C ATOM 645 CG LEU A 45 7.031 16.882 8.540 1.00 1.76 C ATOM 646 CD1 LEU A 45 7.591 17.181 9.922 1.00 2.51 C ATOM 647 CD2 LEU A 45 7.319 18.033 7.586 1.00 2.25 C ATOM 0 H LEU A 45 5.315 14.601 7.534 1.00 0.85 H new ATOM 0 HA LEU A 45 7.304 15.985 5.906 1.00 0.90 H new ATOM 0 HB2 LEU A 45 7.388 14.774 8.694 1.00 0.90 H new ATOM 0 HB3 LEU A 45 8.699 15.671 7.954 1.00 0.90 H new ATOM 0 HG LEU A 45 5.951 16.767 8.627 1.00 1.76 H new ATOM 0 HD11 LEU A 45 7.164 18.112 10.294 1.00 2.51 H new ATOM 0 HD12 LEU A 45 7.336 16.368 10.602 1.00 2.51 H new ATOM 0 HD13 LEU A 45 8.675 17.277 9.862 1.00 2.51 H new ATOM 0 HD21 LEU A 45 6.898 18.954 7.989 1.00 2.25 H new ATOM 0 HD22 LEU A 45 8.397 18.148 7.469 1.00 2.25 H new ATOM 0 HD23 LEU A 45 6.869 17.823 6.616 1.00 2.25 H new ATOM 658 N GLY A 46 7.813 12.874 6.929 1.00 0.72 N ATOM 659 CA GLY A 46 8.483 11.638 6.566 1.00 0.72 C ATOM 660 C GLY A 46 8.595 10.678 7.734 1.00 0.66 C ATOM 661 O GLY A 46 9.406 10.884 8.640 1.00 0.77 O ATOM 0 H GLY A 46 7.334 12.853 7.829 1.00 0.72 H new ATOM 0 HA2 GLY A 46 7.937 11.157 5.754 1.00 0.72 H new ATOM 0 HA3 GLY A 46 9.480 11.865 6.189 1.00 0.72 H new ATOM 665 N ASP A 47 7.782 9.626 7.717 1.00 0.53 N ATOM 666 CA ASP A 47 7.791 8.639 8.790 1.00 0.49 C ATOM 667 C ASP A 47 7.444 7.249 8.265 1.00 0.46 C ATOM 668 O ASP A 47 7.045 7.098 7.109 1.00 0.46 O ATOM 669 CB ASP A 47 6.803 9.055 9.885 1.00 0.45 C ATOM 670 CG ASP A 47 7.173 10.379 10.523 1.00 0.78 C ATOM 671 OD1 ASP A 47 6.824 11.432 9.948 1.00 0.94 O ATOM 672 OD2 ASP A 47 7.812 10.365 11.596 1.00 1.07 O ATOM 0 H ASP A 47 7.110 9.436 6.973 1.00 0.53 H new ATOM 0 HA ASP A 47 8.797 8.596 9.208 1.00 0.49 H new ATOM 0 HB2 ASP A 47 5.802 9.127 9.460 1.00 0.45 H new ATOM 0 HB3 ASP A 47 6.768 8.282 10.653 1.00 0.45 H new ATOM 676 N PRO A 48 7.591 6.215 9.110 1.00 0.47 N ATOM 677 CA PRO A 48 7.287 4.841 8.734 1.00 0.47 C ATOM 678 C PRO A 48 5.806 4.533 8.898 1.00 0.37 C ATOM 679 O PRO A 48 5.254 4.627 9.994 1.00 0.38 O ATOM 680 CB PRO A 48 8.123 3.998 9.711 1.00 0.56 C ATOM 681 CG PRO A 48 8.799 4.968 10.637 1.00 0.61 C ATOM 682 CD PRO A 48 8.094 6.286 10.481 1.00 0.53 C ATOM 0 HA PRO A 48 7.518 4.640 7.688 1.00 0.47 H new ATOM 0 HB2 PRO A 48 7.490 3.307 10.267 1.00 0.56 H new ATOM 0 HB3 PRO A 48 8.857 3.397 9.175 1.00 0.56 H new ATOM 0 HG2 PRO A 48 8.743 4.620 11.668 1.00 0.61 H new ATOM 0 HG3 PRO A 48 9.856 5.064 10.390 1.00 0.61 H new ATOM 0 HD2 PRO A 48 7.287 6.403 11.204 1.00 0.53 H new ATOM 0 HD3 PRO A 48 8.772 7.128 10.622 1.00 0.53 H new ATOM 687 N VAL A 49 5.172 4.162 7.794 1.00 0.32 N ATOM 688 CA VAL A 49 3.752 3.856 7.785 1.00 0.26 C ATOM 689 C VAL A 49 3.517 2.353 7.670 1.00 0.28 C ATOM 690 O VAL A 49 4.340 1.622 7.118 1.00 0.39 O ATOM 691 CB VAL A 49 3.042 4.595 6.623 1.00 0.27 C ATOM 692 CG1 VAL A 49 3.855 4.471 5.343 1.00 0.35 C ATOM 693 CG2 VAL A 49 1.616 4.086 6.415 1.00 0.31 C ATOM 0 H VAL A 49 5.626 4.066 6.886 1.00 0.32 H new ATOM 0 HA VAL A 49 3.331 4.199 8.730 1.00 0.26 H new ATOM 0 HB VAL A 49 2.972 5.649 6.892 1.00 0.27 H new ATOM 0 HG11 VAL A 49 3.344 4.995 4.535 1.00 0.35 H new ATOM 0 HG12 VAL A 49 4.841 4.911 5.494 1.00 0.35 H new ATOM 0 HG13 VAL A 49 3.963 3.418 5.081 1.00 0.35 H new ATOM 0 HG21 VAL A 49 1.152 4.629 5.592 1.00 0.31 H new ATOM 0 HG22 VAL A 49 1.640 3.022 6.180 1.00 0.31 H new ATOM 0 HG23 VAL A 49 1.037 4.243 7.325 1.00 0.31 H new ATOM 703 N HIS A 50 2.383 1.908 8.196 1.00 0.29 N ATOM 704 CA HIS A 50 2.020 0.498 8.158 1.00 0.31 C ATOM 705 C HIS A 50 0.854 0.275 7.201 1.00 0.29 C ATOM 706 O HIS A 50 -0.114 1.034 7.200 1.00 0.31 O ATOM 707 CB HIS A 50 1.648 0.009 9.559 1.00 0.34 C ATOM 708 CG HIS A 50 2.761 0.138 10.553 1.00 0.37 C ATOM 709 ND1 HIS A 50 3.430 -0.948 11.080 1.00 1.13 N ATOM 710 CD2 HIS A 50 3.323 1.234 11.119 1.00 1.08 C ATOM 711 CE1 HIS A 50 4.354 -0.526 11.925 1.00 0.85 C ATOM 712 NE2 HIS A 50 4.309 0.794 11.967 1.00 0.68 N ATOM 0 H HIS A 50 1.697 2.506 8.656 1.00 0.29 H new ATOM 0 HA HIS A 50 2.879 -0.071 7.802 1.00 0.31 H new ATOM 0 HB2 HIS A 50 0.786 0.574 9.915 1.00 0.34 H new ATOM 0 HB3 HIS A 50 1.343 -1.036 9.501 1.00 0.34 H new ATOM 0 HD2 HIS A 50 3.047 2.262 10.937 1.00 1.08 H new ATOM 0 HE1 HIS A 50 5.031 -1.153 12.486 1.00 0.85 H new ATOM 0 HE2 HIS A 50 4.910 1.390 12.537 1.00 0.68 H new ATOM 720 N ILE A 51 0.955 -0.767 6.386 1.00 0.32 N ATOM 721 CA ILE A 51 -0.096 -1.082 5.425 1.00 0.32 C ATOM 722 C ILE A 51 -1.080 -2.094 6.002 1.00 0.32 C ATOM 723 O ILE A 51 -0.699 -2.985 6.761 1.00 0.31 O ATOM 724 CB ILE A 51 0.483 -1.635 4.110 1.00 0.34 C ATOM 725 CG1 ILE A 51 1.299 -2.899 4.373 1.00 0.34 C ATOM 726 CG2 ILE A 51 1.338 -0.580 3.424 1.00 0.36 C ATOM 727 CD1 ILE A 51 1.833 -3.546 3.113 1.00 0.36 C ATOM 0 H ILE A 51 1.750 -1.406 6.370 1.00 0.32 H new ATOM 0 HA ILE A 51 -0.618 -0.149 5.213 1.00 0.32 H new ATOM 0 HB ILE A 51 -0.344 -1.894 3.449 1.00 0.34 H new ATOM 0 HG12 ILE A 51 2.135 -2.653 5.028 1.00 0.34 H new ATOM 0 HG13 ILE A 51 0.678 -3.619 4.906 1.00 0.34 H new ATOM 0 HG21 ILE A 51 1.741 -0.985 2.496 1.00 0.36 H new ATOM 0 HG22 ILE A 51 0.728 0.296 3.203 1.00 0.36 H new ATOM 0 HG23 ILE A 51 2.159 -0.294 4.081 1.00 0.36 H new ATOM 0 HD11 ILE A 51 2.402 -4.438 3.375 1.00 0.36 H new ATOM 0 HD12 ILE A 51 1.001 -3.824 2.466 1.00 0.36 H new ATOM 0 HD13 ILE A 51 2.481 -2.843 2.589 1.00 0.36 H new ATOM 738 N GLU A 52 -2.349 -1.949 5.636 1.00 0.36 N ATOM 739 CA GLU A 52 -3.391 -2.847 6.115 1.00 0.39 C ATOM 740 C GLU A 52 -3.843 -3.789 5.005 1.00 0.42 C ATOM 741 O GLU A 52 -4.495 -3.369 4.047 1.00 0.43 O ATOM 742 CB GLU A 52 -4.583 -2.044 6.640 1.00 0.45 C ATOM 743 CG GLU A 52 -5.685 -2.904 7.235 1.00 1.01 C ATOM 744 CD GLU A 52 -6.839 -2.079 7.770 1.00 1.46 C ATOM 745 OE1 GLU A 52 -7.750 -1.749 6.980 1.00 1.91 O ATOM 746 OE2 GLU A 52 -6.833 -1.764 8.979 1.00 2.13 O ATOM 0 H GLU A 52 -2.680 -1.217 5.008 1.00 0.36 H new ATOM 0 HA GLU A 52 -2.980 -3.444 6.929 1.00 0.39 H new ATOM 0 HB2 GLU A 52 -4.232 -1.343 7.398 1.00 0.45 H new ATOM 0 HB3 GLU A 52 -4.997 -1.451 5.825 1.00 0.45 H new ATOM 0 HG2 GLU A 52 -6.056 -3.592 6.475 1.00 1.01 H new ATOM 0 HG3 GLU A 52 -5.273 -3.512 8.040 1.00 1.01 H new ATOM 751 N THR A 53 -3.486 -5.063 5.138 1.00 0.52 N ATOM 752 CA THR A 53 -3.851 -6.068 4.148 1.00 0.58 C ATOM 753 C THR A 53 -4.799 -7.107 4.741 1.00 0.61 C ATOM 754 O THR A 53 -5.303 -6.939 5.852 1.00 0.60 O ATOM 755 CB THR A 53 -2.603 -6.784 3.596 1.00 0.59 C ATOM 756 OG1 THR A 53 -1.988 -7.565 4.626 1.00 0.55 O ATOM 757 CG2 THR A 53 -1.602 -5.777 3.053 1.00 0.64 C ATOM 0 H THR A 53 -2.944 -5.423 5.923 1.00 0.52 H new ATOM 0 HA THR A 53 -4.355 -5.546 3.334 1.00 0.58 H new ATOM 0 HB THR A 53 -2.917 -7.440 2.784 1.00 0.59 H new ATOM 0 HG1 THR A 53 -1.755 -6.985 5.381 1.00 0.55 H new ATOM 0 HG21 THR A 53 -0.729 -6.303 2.668 1.00 0.64 H new ATOM 0 HG22 THR A 53 -2.063 -5.203 2.249 1.00 0.64 H new ATOM 0 HG23 THR A 53 -1.296 -5.101 3.852 1.00 0.64 H new ATOM 765 N ARG A 54 -5.037 -8.178 3.992 1.00 0.68 N ATOM 766 CA ARG A 54 -5.925 -9.244 4.440 1.00 0.73 C ATOM 767 C ARG A 54 -5.586 -9.689 5.860 1.00 0.67 C ATOM 768 O ARG A 54 -4.683 -10.498 6.070 1.00 0.69 O ATOM 769 CB ARG A 54 -5.838 -10.439 3.489 1.00 0.84 C ATOM 770 CG ARG A 54 -6.850 -11.529 3.790 1.00 1.47 C ATOM 771 CD ARG A 54 -8.270 -11.043 3.557 1.00 1.53 C ATOM 772 NE ARG A 54 -8.508 -10.696 2.159 1.00 2.10 N ATOM 773 CZ ARG A 54 -9.644 -10.172 1.712 1.00 2.32 C ATOM 774 NH1 ARG A 54 -10.645 -9.941 2.550 1.00 1.97 N ATOM 775 NH2 ARG A 54 -9.780 -9.878 0.427 1.00 3.04 N ATOM 0 H ARG A 54 -4.627 -8.331 3.071 1.00 0.68 H new ATOM 0 HA ARG A 54 -6.942 -8.853 4.438 1.00 0.73 H new ATOM 0 HB2 ARG A 54 -5.985 -10.091 2.467 1.00 0.84 H new ATOM 0 HB3 ARG A 54 -4.835 -10.862 3.541 1.00 0.84 H new ATOM 0 HG2 ARG A 54 -6.652 -12.396 3.160 1.00 1.47 H new ATOM 0 HG3 ARG A 54 -6.740 -11.855 4.824 1.00 1.47 H new ATOM 0 HD2 ARG A 54 -8.973 -11.818 3.863 1.00 1.53 H new ATOM 0 HD3 ARG A 54 -8.463 -10.173 4.184 1.00 1.53 H new ATOM 0 HE ARG A 54 -7.759 -10.866 1.487 1.00 2.10 H new ATOM 0 HH11 ARG A 54 -10.544 -10.166 3.540 1.00 1.97 H new ATOM 0 HH12 ARG A 54 -11.516 -9.539 2.205 1.00 1.97 H new ATOM 0 HH21 ARG A 54 -9.012 -10.054 -0.221 1.00 3.04 H new ATOM 0 HH22 ARG A 54 -10.653 -9.476 0.085 1.00 3.04 H new ATOM 786 N ARG A 55 -6.313 -9.143 6.830 1.00 0.66 N ATOM 787 CA ARG A 55 -6.114 -9.481 8.233 1.00 0.66 C ATOM 788 C ARG A 55 -4.634 -9.487 8.613 1.00 0.62 C ATOM 789 O ARG A 55 -4.210 -10.263 9.470 1.00 0.70 O ATOM 790 CB ARG A 55 -6.739 -10.844 8.542 1.00 0.73 C ATOM 791 CG ARG A 55 -6.084 -12.000 7.804 1.00 1.06 C ATOM 792 CD ARG A 55 -6.671 -13.336 8.232 1.00 1.67 C ATOM 793 NE ARG A 55 -5.978 -14.463 7.615 1.00 2.43 N ATOM 794 CZ ARG A 55 -6.472 -15.696 7.569 1.00 3.17 C ATOM 795 NH1 ARG A 55 -7.665 -15.952 8.090 1.00 3.34 N ATOM 796 NH2 ARG A 55 -5.776 -16.671 7.002 1.00 4.11 N ATOM 0 H ARG A 55 -7.051 -8.459 6.666 1.00 0.66 H new ATOM 0 HA ARG A 55 -6.606 -8.712 8.828 1.00 0.66 H new ATOM 0 HB2 ARG A 55 -6.676 -11.027 9.615 1.00 0.73 H new ATOM 0 HB3 ARG A 55 -7.798 -10.814 8.285 1.00 0.73 H new ATOM 0 HG2 ARG A 55 -6.217 -11.870 6.730 1.00 1.06 H new ATOM 0 HG3 ARG A 55 -5.011 -11.994 7.995 1.00 1.06 H new ATOM 0 HD2 ARG A 55 -6.614 -13.426 9.317 1.00 1.67 H new ATOM 0 HD3 ARG A 55 -7.727 -13.370 7.964 1.00 1.67 H new ATOM 0 HE ARG A 55 -5.063 -14.295 7.196 1.00 2.43 H new ATOM 0 HH11 ARG A 55 -8.203 -15.203 8.526 1.00 3.34 H new ATOM 0 HH12 ARG A 55 -8.044 -16.898 8.055 1.00 3.34 H new ATOM 0 HH21 ARG A 55 -4.859 -16.476 6.600 1.00 4.11 H new ATOM 0 HH22 ARG A 55 -6.157 -17.616 6.968 1.00 4.11 H new ATOM 807 N VAL A 56 -3.853 -8.613 7.982 1.00 0.58 N ATOM 808 CA VAL A 56 -2.424 -8.523 8.266 1.00 0.57 C ATOM 809 C VAL A 56 -1.904 -7.111 8.012 1.00 0.49 C ATOM 810 O VAL A 56 -1.932 -6.621 6.883 1.00 0.50 O ATOM 811 CB VAL A 56 -1.612 -9.527 7.418 1.00 0.66 C ATOM 812 CG1 VAL A 56 -0.118 -9.372 7.672 1.00 1.02 C ATOM 813 CG2 VAL A 56 -2.057 -10.952 7.709 1.00 1.23 C ATOM 0 H VAL A 56 -4.185 -7.959 7.273 1.00 0.58 H new ATOM 0 HA VAL A 56 -2.294 -8.770 9.320 1.00 0.57 H new ATOM 0 HB VAL A 56 -1.800 -9.312 6.366 1.00 0.66 H new ATOM 0 HG11 VAL A 56 0.431 -10.090 7.063 1.00 1.02 H new ATOM 0 HG12 VAL A 56 0.193 -8.361 7.409 1.00 1.02 H new ATOM 0 HG13 VAL A 56 0.093 -9.554 8.726 1.00 1.02 H new ATOM 0 HG21 VAL A 56 -1.475 -11.646 7.103 1.00 1.23 H new ATOM 0 HG22 VAL A 56 -1.901 -11.173 8.765 1.00 1.23 H new ATOM 0 HG23 VAL A 56 -3.115 -11.059 7.468 1.00 1.23 H new ATOM 823 N SER A 57 -1.428 -6.461 9.071 1.00 0.48 N ATOM 824 CA SER A 57 -0.900 -5.109 8.967 1.00 0.43 C ATOM 825 C SER A 57 0.625 -5.117 8.990 1.00 0.42 C ATOM 826 O SER A 57 1.240 -5.399 10.018 1.00 0.46 O ATOM 827 CB SER A 57 -1.434 -4.248 10.111 1.00 0.51 C ATOM 828 OG SER A 57 -1.139 -4.828 11.368 1.00 0.64 O ATOM 0 H SER A 57 -1.398 -6.853 10.012 1.00 0.48 H new ATOM 0 HA SER A 57 -1.227 -4.687 8.017 1.00 0.43 H new ATOM 0 HB2 SER A 57 -0.996 -3.252 10.055 1.00 0.51 H new ATOM 0 HB3 SER A 57 -2.512 -4.128 10.007 1.00 0.51 H new ATOM 0 HG SER A 57 -0.235 -5.205 11.350 1.00 0.64 H new ATOM 833 N LEU A 58 1.232 -4.806 7.848 1.00 0.38 N ATOM 834 CA LEU A 58 2.685 -4.778 7.737 1.00 0.40 C ATOM 835 C LEU A 58 3.223 -3.362 7.935 1.00 0.37 C ATOM 836 O LEU A 58 2.460 -2.399 7.990 1.00 0.38 O ATOM 837 CB LEU A 58 3.124 -5.316 6.373 1.00 0.43 C ATOM 838 CG LEU A 58 2.775 -6.780 6.110 1.00 0.96 C ATOM 839 CD1 LEU A 58 3.222 -7.192 4.715 1.00 1.50 C ATOM 840 CD2 LEU A 58 3.413 -7.675 7.163 1.00 1.54 C ATOM 0 H LEU A 58 0.739 -4.570 6.987 1.00 0.38 H new ATOM 0 HA LEU A 58 3.095 -5.415 8.521 1.00 0.40 H new ATOM 0 HB2 LEU A 58 2.667 -4.704 5.595 1.00 0.43 H new ATOM 0 HB3 LEU A 58 4.203 -5.194 6.282 1.00 0.43 H new ATOM 0 HG LEU A 58 1.693 -6.894 6.171 1.00 0.96 H new ATOM 0 HD11 LEU A 58 2.966 -8.238 4.545 1.00 1.50 H new ATOM 0 HD12 LEU A 58 2.720 -6.570 3.974 1.00 1.50 H new ATOM 0 HD13 LEU A 58 4.301 -7.064 4.626 1.00 1.50 H new ATOM 0 HD21 LEU A 58 3.155 -8.715 6.962 1.00 1.54 H new ATOM 0 HD22 LEU A 58 4.496 -7.558 7.132 1.00 1.54 H new ATOM 0 HD23 LEU A 58 3.045 -7.395 8.150 1.00 1.54 H new ATOM 851 N VAL A 59 4.545 -3.248 8.041 1.00 0.41 N ATOM 852 CA VAL A 59 5.189 -1.952 8.232 1.00 0.40 C ATOM 853 C VAL A 59 6.056 -1.584 7.031 1.00 0.40 C ATOM 854 O VAL A 59 6.728 -2.441 6.456 1.00 0.47 O ATOM 855 CB VAL A 59 6.061 -1.943 9.502 1.00 0.45 C ATOM 856 CG1 VAL A 59 7.137 -3.016 9.419 1.00 0.50 C ATOM 857 CG2 VAL A 59 6.680 -0.570 9.716 1.00 0.45 C ATOM 0 H VAL A 59 5.190 -4.037 7.998 1.00 0.41 H new ATOM 0 HA VAL A 59 4.393 -1.215 8.339 1.00 0.40 H new ATOM 0 HB VAL A 59 5.425 -2.165 10.359 1.00 0.45 H new ATOM 0 HG11 VAL A 59 7.743 -2.994 10.325 1.00 0.50 H new ATOM 0 HG12 VAL A 59 6.668 -3.995 9.319 1.00 0.50 H new ATOM 0 HG13 VAL A 59 7.772 -2.828 8.553 1.00 0.50 H new ATOM 0 HG21 VAL A 59 7.292 -0.583 10.618 1.00 0.45 H new ATOM 0 HG22 VAL A 59 7.302 -0.314 8.859 1.00 0.45 H new ATOM 0 HG23 VAL A 59 5.890 0.172 9.825 1.00 0.45 H new ATOM 867 N LEU A 60 6.037 -0.308 6.658 1.00 0.39 N ATOM 868 CA LEU A 60 6.820 0.171 5.523 1.00 0.40 C ATOM 869 C LEU A 60 7.532 1.480 5.857 1.00 0.38 C ATOM 870 O LEU A 60 6.891 2.475 6.195 1.00 0.48 O ATOM 871 CB LEU A 60 5.919 0.368 4.303 1.00 0.45 C ATOM 872 CG LEU A 60 5.243 -0.900 3.783 1.00 0.61 C ATOM 873 CD1 LEU A 60 4.373 -0.583 2.577 1.00 0.77 C ATOM 874 CD2 LEU A 60 6.285 -1.951 3.428 1.00 0.97 C ATOM 0 H LEU A 60 5.488 0.413 7.125 1.00 0.39 H new ATOM 0 HA LEU A 60 7.575 -0.582 5.296 1.00 0.40 H new ATOM 0 HB2 LEU A 60 5.147 1.095 4.555 1.00 0.45 H new ATOM 0 HB3 LEU A 60 6.513 0.800 3.498 1.00 0.45 H new ATOM 0 HG LEU A 60 4.605 -1.300 4.572 1.00 0.61 H new ATOM 0 HD11 LEU A 60 3.899 -1.497 2.220 1.00 0.77 H new ATOM 0 HD12 LEU A 60 3.605 0.136 2.861 1.00 0.77 H new ATOM 0 HD13 LEU A 60 4.990 -0.160 1.784 1.00 0.77 H new ATOM 0 HD21 LEU A 60 5.787 -2.848 3.059 1.00 0.97 H new ATOM 0 HD22 LEU A 60 6.947 -1.560 2.655 1.00 0.97 H new ATOM 0 HD23 LEU A 60 6.869 -2.199 4.315 1.00 0.97 H new ATOM 885 N ARG A 61 8.857 1.470 5.759 1.00 0.51 N ATOM 886 CA ARG A 61 9.655 2.659 6.043 1.00 0.58 C ATOM 887 C ARG A 61 9.370 3.752 5.019 1.00 0.54 C ATOM 888 O ARG A 61 8.417 3.658 4.250 1.00 0.59 O ATOM 889 CB ARG A 61 11.144 2.311 6.038 1.00 0.69 C ATOM 890 CG ARG A 61 11.500 1.141 6.940 1.00 1.34 C ATOM 891 CD ARG A 61 11.190 1.441 8.399 1.00 1.51 C ATOM 892 NE ARG A 61 11.620 0.360 9.280 1.00 2.06 N ATOM 893 CZ ARG A 61 11.594 0.437 10.607 1.00 2.47 C ATOM 894 NH1 ARG A 61 11.154 1.538 11.200 1.00 2.45 N ATOM 895 NH2 ARG A 61 12.008 -0.586 11.341 1.00 3.32 N ATOM 0 H ARG A 61 9.402 0.652 5.485 1.00 0.51 H new ATOM 0 HA ARG A 61 9.382 3.029 7.031 1.00 0.58 H new ATOM 0 HB2 ARG A 61 11.451 2.079 5.018 1.00 0.69 H new ATOM 0 HB3 ARG A 61 11.714 3.186 6.351 1.00 0.69 H new ATOM 0 HG2 ARG A 61 10.946 0.257 6.625 1.00 1.34 H new ATOM 0 HG3 ARG A 61 12.560 0.908 6.833 1.00 1.34 H new ATOM 0 HD2 ARG A 61 11.685 2.367 8.692 1.00 1.51 H new ATOM 0 HD3 ARG A 61 10.118 1.601 8.517 1.00 1.51 H new ATOM 0 HE ARG A 61 11.959 -0.502 8.854 1.00 2.06 H new ATOM 0 HH11 ARG A 61 10.835 2.327 10.638 1.00 2.45 H new ATOM 0 HH12 ARG A 61 11.135 1.596 12.218 1.00 2.45 H new ATOM 0 HH21 ARG A 61 12.347 -1.434 10.888 1.00 3.32 H new ATOM 0 HH22 ARG A 61 11.987 -0.525 12.359 1.00 3.32 H new ATOM 906 N LYS A 62 10.194 4.797 5.023 1.00 0.69 N ATOM 907 CA LYS A 62 10.026 5.905 4.088 1.00 0.74 C ATOM 908 C LYS A 62 10.625 5.578 2.720 1.00 0.68 C ATOM 909 O LYS A 62 10.083 5.967 1.685 1.00 0.76 O ATOM 910 CB LYS A 62 10.676 7.176 4.644 1.00 0.92 C ATOM 911 CG LYS A 62 10.000 7.720 5.894 1.00 1.88 C ATOM 912 CD LYS A 62 10.281 6.858 7.114 1.00 2.95 C ATOM 913 CE LYS A 62 11.774 6.663 7.333 1.00 3.60 C ATOM 914 NZ LYS A 62 12.062 6.003 8.636 1.00 4.70 N ATOM 0 H LYS A 62 10.983 4.899 5.662 1.00 0.69 H new ATOM 0 HA LYS A 62 8.956 6.070 3.963 1.00 0.74 H new ATOM 0 HB2 LYS A 62 11.722 6.968 4.870 1.00 0.92 H new ATOM 0 HB3 LYS A 62 10.664 7.946 3.872 1.00 0.92 H new ATOM 0 HG2 LYS A 62 10.347 8.736 6.081 1.00 1.88 H new ATOM 0 HG3 LYS A 62 8.924 7.775 5.729 1.00 1.88 H new ATOM 0 HD2 LYS A 62 9.841 7.322 7.997 1.00 2.95 H new ATOM 0 HD3 LYS A 62 9.801 5.887 6.992 1.00 2.95 H new ATOM 0 HE2 LYS A 62 12.184 6.061 6.522 1.00 3.60 H new ATOM 0 HE3 LYS A 62 12.276 7.630 7.297 1.00 3.60 H new ATOM 0 HZ1 LYS A 62 13.090 5.888 8.747 1.00 4.70 H new ATOM 0 HZ2 LYS A 62 11.693 6.590 9.411 1.00 4.70 H new ATOM 0 HZ3 LYS A 62 11.605 5.069 8.661 1.00 4.70 H new ATOM 924 N LYS A 63 11.746 4.863 2.724 1.00 0.64 N ATOM 925 CA LYS A 63 12.437 4.499 1.490 1.00 0.71 C ATOM 926 C LYS A 63 11.873 3.216 0.896 1.00 0.63 C ATOM 927 O LYS A 63 11.834 3.051 -0.323 1.00 0.73 O ATOM 928 CB LYS A 63 13.936 4.337 1.750 1.00 0.88 C ATOM 929 CG LYS A 63 14.272 3.206 2.709 1.00 0.88 C ATOM 930 CD LYS A 63 15.761 3.149 3.002 1.00 1.10 C ATOM 931 CE LYS A 63 16.573 2.947 1.733 1.00 1.67 C ATOM 932 NZ LYS A 63 16.256 1.649 1.072 1.00 2.28 N ATOM 0 H LYS A 63 12.198 4.522 3.573 1.00 0.64 H new ATOM 0 HA LYS A 63 12.280 5.304 0.771 1.00 0.71 H new ATOM 0 HB2 LYS A 63 14.443 4.160 0.802 1.00 0.88 H new ATOM 0 HB3 LYS A 63 14.329 5.271 2.152 1.00 0.88 H new ATOM 0 HG2 LYS A 63 13.722 3.341 3.640 1.00 0.88 H new ATOM 0 HG3 LYS A 63 13.947 2.257 2.282 1.00 0.88 H new ATOM 0 HD2 LYS A 63 16.072 4.072 3.491 1.00 1.10 H new ATOM 0 HD3 LYS A 63 15.965 2.336 3.698 1.00 1.10 H new ATOM 0 HE2 LYS A 63 16.374 3.765 1.041 1.00 1.67 H new ATOM 0 HE3 LYS A 63 17.636 2.983 1.972 1.00 1.67 H new ATOM 0 HZ1 LYS A 63 16.933 1.478 0.301 1.00 2.28 H new ATOM 0 HZ2 LYS A 63 16.323 0.879 1.768 1.00 2.28 H new ATOM 0 HZ3 LYS A 63 15.291 1.683 0.685 1.00 2.28 H new ATOM 942 N ASP A 64 11.436 2.309 1.763 1.00 0.54 N ATOM 943 CA ASP A 64 10.876 1.037 1.321 1.00 0.54 C ATOM 944 C ASP A 64 9.814 1.252 0.247 1.00 0.46 C ATOM 945 O ASP A 64 9.545 0.361 -0.559 1.00 0.56 O ATOM 946 CB ASP A 64 10.275 0.279 2.505 1.00 0.56 C ATOM 947 CG ASP A 64 9.773 -1.097 2.115 1.00 1.38 C ATOM 948 OD1 ASP A 64 8.716 -1.178 1.454 1.00 2.30 O ATOM 949 OD2 ASP A 64 10.435 -2.094 2.471 1.00 1.49 O ATOM 0 H ASP A 64 11.459 2.431 2.775 1.00 0.54 H new ATOM 0 HA ASP A 64 11.684 0.444 0.893 1.00 0.54 H new ATOM 0 HB2 ASP A 64 11.026 0.180 3.289 1.00 0.56 H new ATOM 0 HB3 ASP A 64 9.452 0.858 2.924 1.00 0.56 H new ATOM 953 N LEU A 65 9.212 2.438 0.242 1.00 0.39 N ATOM 954 CA LEU A 65 8.180 2.762 -0.740 1.00 0.41 C ATOM 955 C LEU A 65 8.794 3.281 -2.039 1.00 0.45 C ATOM 956 O LEU A 65 8.165 3.228 -3.095 1.00 0.52 O ATOM 957 CB LEU A 65 7.209 3.801 -0.177 1.00 0.51 C ATOM 958 CG LEU A 65 6.270 3.293 0.920 1.00 0.49 C ATOM 959 CD1 LEU A 65 7.065 2.687 2.064 1.00 0.67 C ATOM 960 CD2 LEU A 65 5.380 4.420 1.423 1.00 0.70 C ATOM 0 H LEU A 65 9.419 3.187 0.903 1.00 0.39 H new ATOM 0 HA LEU A 65 7.635 1.844 -0.959 1.00 0.41 H new ATOM 0 HB2 LEU A 65 7.786 4.636 0.220 1.00 0.51 H new ATOM 0 HB3 LEU A 65 6.606 4.192 -0.996 1.00 0.51 H new ATOM 0 HG LEU A 65 5.633 2.516 0.497 1.00 0.49 H new ATOM 0 HD11 LEU A 65 6.381 2.331 2.834 1.00 0.67 H new ATOM 0 HD12 LEU A 65 7.659 1.852 1.692 1.00 0.67 H new ATOM 0 HD13 LEU A 65 7.727 3.442 2.487 1.00 0.67 H new ATOM 0 HD21 LEU A 65 4.719 4.041 2.202 1.00 0.70 H new ATOM 0 HD22 LEU A 65 6.000 5.219 1.830 1.00 0.70 H new ATOM 0 HD23 LEU A 65 4.783 4.808 0.598 1.00 0.70 H new ATOM 971 N ALA A 66 10.022 3.784 -1.954 1.00 0.46 N ATOM 972 CA ALA A 66 10.712 4.318 -3.124 1.00 0.52 C ATOM 973 C ALA A 66 10.866 3.263 -4.217 1.00 0.50 C ATOM 974 O ALA A 66 10.669 3.548 -5.397 1.00 0.66 O ATOM 975 CB ALA A 66 12.073 4.871 -2.726 1.00 0.60 C ATOM 0 H ALA A 66 10.559 3.833 -1.088 1.00 0.46 H new ATOM 0 HA ALA A 66 10.103 5.126 -3.529 1.00 0.52 H new ATOM 0 HB1 ALA A 66 12.577 5.266 -3.608 1.00 0.60 H new ATOM 0 HB2 ALA A 66 11.942 5.669 -1.995 1.00 0.60 H new ATOM 0 HB3 ALA A 66 12.676 4.075 -2.290 1.00 0.60 H new ATOM 981 N LEU A 67 11.218 2.044 -3.818 1.00 0.37 N ATOM 982 CA LEU A 67 11.401 0.954 -4.772 1.00 0.35 C ATOM 983 C LEU A 67 10.060 0.447 -5.291 1.00 0.31 C ATOM 984 O LEU A 67 9.800 0.474 -6.494 1.00 0.30 O ATOM 985 CB LEU A 67 12.177 -0.196 -4.125 1.00 0.38 C ATOM 986 CG LEU A 67 13.604 0.148 -3.698 1.00 0.43 C ATOM 987 CD1 LEU A 67 14.295 -1.076 -3.116 1.00 0.48 C ATOM 988 CD2 LEU A 67 14.393 0.700 -4.876 1.00 0.47 C ATOM 0 H LEU A 67 11.382 1.787 -2.845 1.00 0.37 H new ATOM 0 HA LEU A 67 11.972 1.341 -5.616 1.00 0.35 H new ATOM 0 HB2 LEU A 67 11.625 -0.540 -3.250 1.00 0.38 H new ATOM 0 HB3 LEU A 67 12.215 -1.029 -4.827 1.00 0.38 H new ATOM 0 HG LEU A 67 13.559 0.916 -2.926 1.00 0.43 H new ATOM 0 HD11 LEU A 67 15.310 -0.813 -2.817 1.00 0.48 H new ATOM 0 HD12 LEU A 67 13.740 -1.428 -2.246 1.00 0.48 H new ATOM 0 HD13 LEU A 67 14.331 -1.865 -3.867 1.00 0.48 H new ATOM 0 HD21 LEU A 67 15.407 0.940 -4.555 1.00 0.47 H new ATOM 0 HD22 LEU A 67 14.431 -0.046 -5.670 1.00 0.47 H new ATOM 0 HD23 LEU A 67 13.908 1.602 -5.248 1.00 0.47 H new ATOM 999 N ILE A 68 9.209 -0.013 -4.380 1.00 0.31 N ATOM 1000 CA ILE A 68 7.898 -0.529 -4.753 1.00 0.30 C ATOM 1001 C ILE A 68 7.016 0.572 -5.330 1.00 0.30 C ATOM 1002 O ILE A 68 7.050 1.714 -4.872 1.00 0.37 O ATOM 1003 CB ILE A 68 7.181 -1.166 -3.549 1.00 0.34 C ATOM 1004 CG1 ILE A 68 6.982 -0.131 -2.440 1.00 0.38 C ATOM 1005 CG2 ILE A 68 7.970 -2.360 -3.036 1.00 0.38 C ATOM 1006 CD1 ILE A 68 6.184 -0.648 -1.262 1.00 0.43 C ATOM 0 H ILE A 68 9.404 -0.039 -3.379 1.00 0.31 H new ATOM 0 HA ILE A 68 8.065 -1.292 -5.513 1.00 0.30 H new ATOM 0 HB ILE A 68 6.200 -1.516 -3.871 1.00 0.34 H new ATOM 0 HG12 ILE A 68 7.958 0.204 -2.088 1.00 0.38 H new ATOM 0 HG13 ILE A 68 6.477 0.741 -2.855 1.00 0.38 H new ATOM 0 HG21 ILE A 68 7.451 -2.800 -2.185 1.00 0.38 H new ATOM 0 HG22 ILE A 68 8.062 -3.103 -3.828 1.00 0.38 H new ATOM 0 HG23 ILE A 68 8.963 -2.034 -2.727 1.00 0.38 H new ATOM 0 HD11 ILE A 68 6.084 0.141 -0.516 1.00 0.43 H new ATOM 0 HD12 ILE A 68 5.194 -0.956 -1.600 1.00 0.43 H new ATOM 0 HD13 ILE A 68 6.698 -1.502 -0.821 1.00 0.43 H new ATOM 1017 N GLU A 69 6.227 0.219 -6.339 1.00 0.29 N ATOM 1018 CA GLU A 69 5.337 1.175 -6.984 1.00 0.32 C ATOM 1019 C GLU A 69 3.951 1.141 -6.349 1.00 0.31 C ATOM 1020 O GLU A 69 3.500 0.097 -5.877 1.00 0.37 O ATOM 1021 CB GLU A 69 5.230 0.868 -8.477 1.00 0.34 C ATOM 1022 CG GLU A 69 4.861 2.078 -9.323 1.00 0.44 C ATOM 1023 CD GLU A 69 5.938 3.147 -9.315 1.00 1.30 C ATOM 1024 OE1 GLU A 69 5.888 4.032 -8.436 1.00 2.29 O ATOM 1025 OE2 GLU A 69 6.828 3.098 -10.190 1.00 1.26 O ATOM 0 H GLU A 69 6.186 -0.723 -6.728 1.00 0.29 H new ATOM 0 HA GLU A 69 5.755 2.173 -6.850 1.00 0.32 H new ATOM 0 HB2 GLU A 69 6.182 0.468 -8.826 1.00 0.34 H new ATOM 0 HB3 GLU A 69 4.482 0.089 -8.627 1.00 0.34 H new ATOM 0 HG2 GLU A 69 4.680 1.758 -10.349 1.00 0.44 H new ATOM 0 HG3 GLU A 69 3.929 2.504 -8.953 1.00 0.44 H new ATOM 1030 N LEU A 70 3.276 2.287 -6.343 1.00 0.32 N ATOM 1031 CA LEU A 70 1.943 2.381 -5.761 1.00 0.33 C ATOM 1032 C LEU A 70 0.907 2.749 -6.820 1.00 0.33 C ATOM 1033 O LEU A 70 1.243 3.290 -7.873 1.00 0.45 O ATOM 1034 CB LEU A 70 1.928 3.416 -4.636 1.00 0.38 C ATOM 1035 CG LEU A 70 0.676 3.396 -3.756 1.00 0.95 C ATOM 1036 CD1 LEU A 70 0.528 2.045 -3.078 1.00 1.25 C ATOM 1037 CD2 LEU A 70 0.732 4.511 -2.724 1.00 1.85 C ATOM 0 H LEU A 70 3.630 3.160 -6.734 1.00 0.32 H new ATOM 0 HA LEU A 70 1.684 1.404 -5.352 1.00 0.33 H new ATOM 0 HB2 LEU A 70 2.801 3.256 -4.003 1.00 0.38 H new ATOM 0 HB3 LEU A 70 2.030 4.409 -5.074 1.00 0.38 H new ATOM 0 HG LEU A 70 -0.196 3.561 -4.389 1.00 0.95 H new ATOM 0 HD11 LEU A 70 -0.367 2.046 -2.456 1.00 1.25 H new ATOM 0 HD12 LEU A 70 0.442 1.265 -3.835 1.00 1.25 H new ATOM 0 HD13 LEU A 70 1.402 1.852 -2.456 1.00 1.25 H new ATOM 0 HD21 LEU A 70 -0.166 4.481 -2.107 1.00 1.85 H new ATOM 0 HD22 LEU A 70 1.610 4.378 -2.092 1.00 1.85 H new ATOM 0 HD23 LEU A 70 0.792 5.474 -3.231 1.00 1.85 H new ATOM 1048 N GLU A 71 -0.357 2.451 -6.530 1.00 0.35 N ATOM 1049 CA GLU A 71 -1.444 2.750 -7.455 1.00 0.38 C ATOM 1050 C GLU A 71 -2.658 3.298 -6.710 1.00 0.37 C ATOM 1051 O GLU A 71 -2.917 2.926 -5.566 1.00 0.52 O ATOM 1052 CB GLU A 71 -1.837 1.498 -8.237 1.00 0.47 C ATOM 1053 CG GLU A 71 -3.032 1.704 -9.154 1.00 0.54 C ATOM 1054 CD GLU A 71 -2.789 2.774 -10.200 1.00 1.31 C ATOM 1055 OE1 GLU A 71 -3.081 3.956 -9.919 1.00 2.24 O ATOM 1056 OE2 GLU A 71 -2.303 2.432 -11.298 1.00 1.26 O ATOM 0 H GLU A 71 -0.652 2.003 -5.662 1.00 0.35 H new ATOM 0 HA GLU A 71 -1.093 3.510 -8.153 1.00 0.38 H new ATOM 0 HB2 GLU A 71 -0.985 1.169 -8.832 1.00 0.47 H new ATOM 0 HB3 GLU A 71 -2.063 0.696 -7.534 1.00 0.47 H new ATOM 0 HG2 GLU A 71 -3.270 0.763 -9.651 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -3.901 1.977 -8.556 1.00 0.54 H new ATOM 1061 N ALA A 72 -3.396 4.184 -7.369 1.00 0.45 N ATOM 1062 CA ALA A 72 -4.585 4.785 -6.774 1.00 0.52 C ATOM 1063 C ALA A 72 -5.825 3.946 -7.064 1.00 0.44 C ATOM 1064 O ALA A 72 -5.800 3.054 -7.911 1.00 0.53 O ATOM 1065 CB ALA A 72 -4.773 6.203 -7.290 1.00 0.76 C ATOM 0 H ALA A 72 -3.192 4.503 -8.316 1.00 0.45 H new ATOM 0 HA ALA A 72 -4.445 4.819 -5.694 1.00 0.52 H new ATOM 0 HB1 ALA A 72 -5.664 6.640 -6.838 1.00 0.76 H new ATOM 0 HB2 ALA A 72 -3.902 6.804 -7.029 1.00 0.76 H new ATOM 0 HB3 ALA A 72 -4.888 6.184 -8.374 1.00 0.76 H new ATOM 1071 N VAL A 73 -6.912 4.239 -6.356 1.00 0.58 N ATOM 1072 CA VAL A 73 -8.161 3.513 -6.540 1.00 0.64 C ATOM 1073 C VAL A 73 -8.877 3.967 -7.809 1.00 0.83 C ATOM 1074 O VAL A 73 -8.359 4.790 -8.564 1.00 0.99 O ATOM 1075 CB VAL A 73 -9.103 3.698 -5.336 1.00 0.78 C ATOM 1076 CG1 VAL A 73 -8.434 3.221 -4.056 1.00 1.01 C ATOM 1077 CG2 VAL A 73 -9.533 5.153 -5.213 1.00 1.16 C ATOM 0 H VAL A 73 -6.951 4.974 -5.650 1.00 0.58 H new ATOM 0 HA VAL A 73 -7.904 2.457 -6.628 1.00 0.64 H new ATOM 0 HB VAL A 73 -9.995 3.093 -5.499 1.00 0.78 H new ATOM 0 HG11 VAL A 73 -9.115 3.360 -3.216 1.00 1.01 H new ATOM 0 HG12 VAL A 73 -8.183 2.164 -4.149 1.00 1.01 H new ATOM 0 HG13 VAL A 73 -7.524 3.797 -3.885 1.00 1.01 H new ATOM 0 HG21 VAL A 73 -10.198 5.265 -4.357 1.00 1.16 H new ATOM 0 HG22 VAL A 73 -8.654 5.782 -5.074 1.00 1.16 H new ATOM 0 HG23 VAL A 73 -10.055 5.456 -6.120 1.00 1.16 H new ATOM 1087 N ALA A 74 -10.070 3.426 -8.036 1.00 0.99 N ATOM 1088 CA ALA A 74 -10.859 3.777 -9.212 1.00 1.25 C ATOM 1089 C ALA A 74 -12.214 4.349 -8.811 1.00 1.66 C ATOM 1090 O ALA A 74 -12.572 4.355 -7.634 1.00 2.28 O ATOM 1091 CB ALA A 74 -11.041 2.559 -10.106 1.00 1.57 C ATOM 0 H ALA A 74 -10.512 2.743 -7.421 1.00 0.99 H new ATOM 0 HA ALA A 74 -10.320 4.545 -9.767 1.00 1.25 H new ATOM 0 HB1 ALA A 74 -11.631 2.834 -10.980 1.00 1.57 H new ATOM 0 HB2 ALA A 74 -10.065 2.194 -10.427 1.00 1.57 H new ATOM 0 HB3 ALA A 74 -11.557 1.775 -9.552 1.00 1.57 H new ATOM 1097 N GLN A 75 -12.965 4.829 -9.797 1.00 1.95 N ATOM 1098 CA GLN A 75 -14.281 5.402 -9.543 1.00 2.53 C ATOM 1099 C GLN A 75 -15.258 4.333 -9.064 1.00 2.88 C ATOM 1100 O GLN A 75 -14.985 3.138 -9.170 1.00 3.14 O ATOM 1101 CB GLN A 75 -14.822 6.072 -10.808 1.00 3.27 C ATOM 1102 CG GLN A 75 -13.903 7.140 -11.370 1.00 3.83 C ATOM 1103 CD GLN A 75 -14.380 7.678 -12.704 1.00 4.50 C ATOM 1104 OE1 GLN A 75 -15.580 7.731 -12.972 1.00 4.86 O ATOM 1105 NE2 GLN A 75 -13.438 8.078 -13.552 1.00 5.13 N ATOM 0 H GLN A 75 -12.685 4.832 -10.778 1.00 1.95 H new ATOM 0 HA GLN A 75 -14.177 6.151 -8.758 1.00 2.53 H new ATOM 0 HB2 GLN A 75 -14.989 5.310 -11.570 1.00 3.27 H new ATOM 0 HB3 GLN A 75 -15.791 6.518 -10.586 1.00 3.27 H new ATOM 0 HG2 GLN A 75 -13.828 7.961 -10.657 1.00 3.83 H new ATOM 0 HG3 GLN A 75 -12.901 6.727 -11.487 1.00 3.83 H new ATOM 0 HE21 GLN A 75 -12.455 8.016 -13.288 1.00 5.13 H new ATOM 0 HE22 GLN A 75 -13.698 8.447 -14.467 1.00 5.13 H new TER 1112 GLN A 75