USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=14 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 Set 1.1: A 31 MET CE :methyl 180:sc= -0.0162 (180deg=-0.0143) USER MOD Set 1.2: A 53 THR OG1 : rot -42:sc= 0.14 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0278 (180deg=-0.254) USER MOD Single : A 2 GLN : amide:sc= -0.094 K(o=-0.094,f=-0.74) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -43:sc= 0.854 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 166:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0838 X(o=-0.084,f=-0.13) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 96:sc= 0.392 USER MOD Single : A 35 SER OG : rot 180:sc= -0.306 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= 0.484 K(o=0.48,f=-1.6!) USER MOD Single : A 50 HIS : no HD1:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0668) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -3.05! C(o=-3!,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.961 10.329 -5.794 1.00 3.33 N ATOM 2 CA MET A 1 2.781 11.372 -5.125 1.00 2.78 C ATOM 3 C MET A 1 2.746 11.205 -3.610 1.00 2.08 C ATOM 4 O MET A 1 3.728 10.789 -2.998 1.00 2.36 O ATOM 5 CB MET A 1 2.274 12.765 -5.505 1.00 2.93 C ATOM 6 CG MET A 1 2.323 13.044 -6.997 1.00 3.53 C ATOM 7 SD MET A 1 4.002 12.998 -7.657 1.00 4.37 S ATOM 8 CE MET A 1 3.707 13.439 -9.366 1.00 5.17 C ATOM 0 H1 MET A 1 2.171 10.322 -6.812 1.00 3.33 H new ATOM 0 H2 MET A 1 2.185 9.398 -5.388 1.00 3.33 H new ATOM 0 H3 MET A 1 0.952 10.536 -5.650 1.00 3.33 H new ATOM 0 HA MET A 1 3.812 11.260 -5.461 1.00 2.78 H new ATOM 0 HB2 MET A 1 1.247 12.876 -5.157 1.00 2.93 H new ATOM 0 HB3 MET A 1 2.870 13.514 -4.984 1.00 2.93 H new ATOM 0 HG2 MET A 1 1.711 12.310 -7.520 1.00 3.53 H new ATOM 0 HG3 MET A 1 1.886 14.023 -7.194 1.00 3.53 H new ATOM 0 HE1 MET A 1 4.653 13.453 -9.907 1.00 5.17 H new ATOM 0 HE2 MET A 1 3.040 12.707 -9.821 1.00 5.17 H new ATOM 0 HE3 MET A 1 3.248 14.426 -9.413 1.00 5.17 H new ATOM 18 N GLN A 2 1.605 11.531 -3.012 1.00 1.56 N ATOM 19 CA GLN A 2 1.440 11.417 -1.567 1.00 0.99 C ATOM 20 C GLN A 2 0.130 10.717 -1.224 1.00 0.83 C ATOM 21 O GLN A 2 -0.900 10.959 -1.855 1.00 1.25 O ATOM 22 CB GLN A 2 1.477 12.801 -0.918 1.00 1.05 C ATOM 23 CG GLN A 2 1.352 12.768 0.596 1.00 1.64 C ATOM 24 CD GLN A 2 2.477 11.999 1.259 1.00 2.33 C ATOM 25 OE1 GLN A 2 3.591 11.935 0.739 1.00 2.91 O ATOM 26 NE2 GLN A 2 2.191 11.409 2.414 1.00 2.94 N ATOM 0 H GLN A 2 0.781 11.876 -3.505 1.00 1.56 H new ATOM 0 HA GLN A 2 2.264 10.819 -1.178 1.00 0.99 H new ATOM 0 HB2 GLN A 2 2.412 13.294 -1.186 1.00 1.05 H new ATOM 0 HB3 GLN A 2 0.669 13.407 -1.328 1.00 1.05 H new ATOM 0 HG2 GLN A 2 1.341 13.789 0.978 1.00 1.64 H new ATOM 0 HG3 GLN A 2 0.398 12.315 0.868 1.00 1.64 H new ATOM 0 HE21 GLN A 2 1.254 11.488 2.809 1.00 2.94 H new ATOM 0 HE22 GLN A 2 2.909 10.877 2.906 1.00 2.94 H new ATOM 33 N PHE A 3 0.174 9.846 -0.221 1.00 0.64 N ATOM 34 CA PHE A 3 -1.010 9.110 0.204 1.00 0.59 C ATOM 35 C PHE A 3 -1.322 9.379 1.673 1.00 0.50 C ATOM 36 O PHE A 3 -0.565 8.986 2.560 1.00 0.55 O ATOM 37 CB PHE A 3 -0.808 7.609 -0.020 1.00 0.80 C ATOM 38 CG PHE A 3 0.365 7.043 0.727 1.00 0.75 C ATOM 39 CD1 PHE A 3 1.651 7.176 0.230 1.00 0.80 C ATOM 40 CD2 PHE A 3 0.180 6.380 1.930 1.00 1.47 C ATOM 41 CE1 PHE A 3 2.731 6.657 0.918 1.00 1.39 C ATOM 42 CE2 PHE A 3 1.256 5.858 2.622 1.00 2.25 C ATOM 43 CZ PHE A 3 2.538 5.993 2.105 1.00 2.18 C ATOM 0 H PHE A 3 1.017 9.633 0.312 1.00 0.64 H new ATOM 0 HA PHE A 3 -1.854 9.451 -0.395 1.00 0.59 H new ATOM 0 HB2 PHE A 3 -1.711 7.080 0.284 1.00 0.80 H new ATOM 0 HB3 PHE A 3 -0.673 7.424 -1.086 1.00 0.80 H new ATOM 0 HD1 PHE A 3 1.811 7.691 -0.706 1.00 0.80 H new ATOM 0 HD2 PHE A 3 -0.817 6.270 2.331 1.00 1.47 H new ATOM 0 HE1 PHE A 3 3.729 6.774 0.522 1.00 1.39 H new ATOM 0 HE2 PHE A 3 1.101 5.347 3.561 1.00 2.25 H new ATOM 0 HZ PHE A 3 3.382 5.577 2.635 1.00 2.18 H new ATOM 52 N THR A 4 -2.440 10.053 1.923 1.00 0.53 N ATOM 53 CA THR A 4 -2.849 10.374 3.286 1.00 0.49 C ATOM 54 C THR A 4 -3.539 9.186 3.949 1.00 0.45 C ATOM 55 O THR A 4 -4.125 8.342 3.270 1.00 0.45 O ATOM 56 CB THR A 4 -3.800 11.583 3.321 1.00 0.57 C ATOM 57 OG1 THR A 4 -4.892 11.376 2.417 1.00 0.61 O ATOM 58 CG2 THR A 4 -3.065 12.862 2.953 1.00 0.66 C ATOM 0 H THR A 4 -3.078 10.387 1.201 1.00 0.53 H new ATOM 0 HA THR A 4 -1.940 10.619 3.835 1.00 0.49 H new ATOM 0 HB THR A 4 -4.184 11.684 4.336 1.00 0.57 H new ATOM 0 HG1 THR A 4 -5.493 12.150 2.447 1.00 0.61 H new ATOM 0 HG21 THR A 4 -3.759 13.702 2.985 1.00 0.66 H new ATOM 0 HG22 THR A 4 -2.255 13.033 3.662 1.00 0.66 H new ATOM 0 HG23 THR A 4 -2.654 12.769 1.948 1.00 0.66 H new ATOM 66 N PRO A 5 -3.474 9.105 5.289 1.00 0.47 N ATOM 67 CA PRO A 5 -4.102 8.017 6.042 1.00 0.51 C ATOM 68 C PRO A 5 -5.621 8.138 6.061 1.00 0.51 C ATOM 69 O PRO A 5 -6.204 8.638 7.023 1.00 0.65 O ATOM 70 CB PRO A 5 -3.533 8.192 7.451 1.00 0.62 C ATOM 71 CG PRO A 5 -3.220 9.644 7.548 1.00 0.58 C ATOM 72 CD PRO A 5 -2.783 10.064 6.173 1.00 0.53 C ATOM 0 HA PRO A 5 -3.898 7.040 5.604 1.00 0.51 H new ATOM 0 HB2 PRO A 5 -4.254 7.890 8.211 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -2.641 7.583 7.598 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -4.093 10.211 7.870 1.00 0.58 H new ATOM 0 HG3 PRO A 5 -2.433 9.826 8.280 1.00 0.58 H new ATOM 0 HD2 PRO A 5 -3.072 11.092 5.956 1.00 0.53 H new ATOM 0 HD3 PRO A 5 -1.700 10.007 6.060 1.00 0.53 H new ATOM 77 N ASP A 6 -6.257 7.682 4.987 1.00 0.74 N ATOM 78 CA ASP A 6 -7.711 7.742 4.877 1.00 0.84 C ATOM 79 C ASP A 6 -8.188 7.079 3.589 1.00 0.71 C ATOM 80 O ASP A 6 -9.177 6.345 3.586 1.00 0.67 O ATOM 81 CB ASP A 6 -8.181 9.198 4.921 1.00 1.07 C ATOM 82 CG ASP A 6 -9.688 9.322 4.810 1.00 2.06 C ATOM 83 OD1 ASP A 6 -10.198 9.364 3.672 1.00 2.51 O ATOM 84 OD2 ASP A 6 -10.357 9.382 5.864 1.00 2.69 O ATOM 0 H ASP A 6 -5.790 7.267 4.181 1.00 0.74 H new ATOM 0 HA ASP A 6 -8.140 7.201 5.720 1.00 0.84 H new ATOM 0 HB2 ASP A 6 -7.849 9.656 5.853 1.00 1.07 H new ATOM 0 HB3 ASP A 6 -7.713 9.753 4.108 1.00 1.07 H new ATOM 88 N SER A 7 -7.479 7.344 2.496 1.00 0.77 N ATOM 89 CA SER A 7 -7.828 6.774 1.201 1.00 0.72 C ATOM 90 C SER A 7 -7.119 5.439 0.985 1.00 0.54 C ATOM 91 O SER A 7 -6.063 5.187 1.564 1.00 0.67 O ATOM 92 CB SER A 7 -7.461 7.745 0.078 1.00 0.96 C ATOM 93 OG SER A 7 -7.797 7.210 -1.191 1.00 1.89 O ATOM 0 H SER A 7 -6.659 7.950 2.482 1.00 0.77 H new ATOM 0 HA SER A 7 -8.904 6.601 1.186 1.00 0.72 H new ATOM 0 HB2 SER A 7 -7.982 8.691 0.227 1.00 0.96 H new ATOM 0 HB3 SER A 7 -6.393 7.960 0.114 1.00 0.96 H new ATOM 0 HG SER A 7 -7.554 7.851 -1.891 1.00 1.89 H new ATOM 98 N ALA A 8 -7.708 4.590 0.149 1.00 0.47 N ATOM 99 CA ALA A 8 -7.132 3.282 -0.144 1.00 0.35 C ATOM 100 C ALA A 8 -6.124 3.371 -1.284 1.00 0.31 C ATOM 101 O ALA A 8 -6.015 4.401 -1.948 1.00 0.38 O ATOM 102 CB ALA A 8 -8.231 2.286 -0.487 1.00 0.44 C ATOM 0 H ALA A 8 -8.583 4.784 -0.337 1.00 0.47 H new ATOM 0 HA ALA A 8 -6.607 2.935 0.746 1.00 0.35 H new ATOM 0 HB1 ALA A 8 -7.787 1.314 -0.703 1.00 0.44 H new ATOM 0 HB2 ALA A 8 -8.914 2.193 0.357 1.00 0.44 H new ATOM 0 HB3 ALA A 8 -8.780 2.637 -1.361 1.00 0.44 H new ATOM 108 N TRP A 9 -5.387 2.286 -1.504 1.00 0.30 N ATOM 109 CA TRP A 9 -4.388 2.247 -2.566 1.00 0.30 C ATOM 110 C TRP A 9 -4.122 0.812 -3.011 1.00 0.32 C ATOM 111 O TRP A 9 -4.658 -0.136 -2.438 1.00 0.39 O ATOM 112 CB TRP A 9 -3.088 2.897 -2.090 1.00 0.34 C ATOM 113 CG TRP A 9 -3.288 4.264 -1.509 1.00 0.35 C ATOM 114 CD1 TRP A 9 -3.561 4.567 -0.206 1.00 0.40 C ATOM 115 CD2 TRP A 9 -3.233 5.512 -2.209 1.00 0.42 C ATOM 116 NE1 TRP A 9 -3.681 5.927 -0.054 1.00 0.41 N ATOM 117 CE2 TRP A 9 -3.483 6.529 -1.268 1.00 0.42 C ATOM 118 CE3 TRP A 9 -2.997 5.868 -3.539 1.00 0.56 C ATOM 119 CZ2 TRP A 9 -3.501 7.878 -1.616 1.00 0.52 C ATOM 120 CZ3 TRP A 9 -3.016 7.207 -3.883 1.00 0.69 C ATOM 121 CH2 TRP A 9 -3.267 8.197 -2.926 1.00 0.66 C ATOM 0 H TRP A 9 -5.463 1.425 -0.963 1.00 0.30 H new ATOM 0 HA TRP A 9 -4.775 2.805 -3.419 1.00 0.30 H new ATOM 0 HB2 TRP A 9 -2.622 2.256 -1.342 1.00 0.34 H new ATOM 0 HB3 TRP A 9 -2.395 2.964 -2.929 1.00 0.34 H new ATOM 0 HD1 TRP A 9 -3.667 3.843 0.589 1.00 0.40 H new ATOM 0 HE1 TRP A 9 -3.885 6.410 0.821 1.00 0.41 H new ATOM 0 HE3 TRP A 9 -2.803 5.111 -4.285 1.00 0.56 H new ATOM 0 HZ2 TRP A 9 -3.693 8.644 -0.879 1.00 0.52 H new ATOM 0 HZ3 TRP A 9 -2.834 7.494 -4.908 1.00 0.69 H new ATOM 0 HH2 TRP A 9 -3.276 9.234 -3.228 1.00 0.66 H new ATOM 131 N LYS A 10 -3.291 0.661 -4.039 1.00 0.34 N ATOM 132 CA LYS A 10 -2.953 -0.659 -4.559 1.00 0.37 C ATOM 133 C LYS A 10 -1.444 -0.887 -4.540 1.00 0.34 C ATOM 134 O LYS A 10 -0.670 -0.022 -4.949 1.00 0.34 O ATOM 135 CB LYS A 10 -3.488 -0.822 -5.983 1.00 0.43 C ATOM 136 CG LYS A 10 -5.007 -0.831 -6.067 1.00 1.01 C ATOM 137 CD LYS A 10 -5.483 -1.018 -7.499 1.00 1.03 C ATOM 138 CE LYS A 10 -6.995 -1.144 -7.570 1.00 1.28 C ATOM 139 NZ LYS A 10 -7.473 -1.321 -8.969 1.00 2.04 N ATOM 0 H LYS A 10 -2.841 1.435 -4.527 1.00 0.34 H new ATOM 0 HA LYS A 10 -3.420 -1.404 -3.915 1.00 0.37 H new ATOM 0 HB2 LYS A 10 -3.103 -0.011 -6.601 1.00 0.43 H new ATOM 0 HB3 LYS A 10 -3.104 -1.752 -6.402 1.00 0.43 H new ATOM 0 HG2 LYS A 10 -5.403 -1.632 -5.443 1.00 1.01 H new ATOM 0 HG3 LYS A 10 -5.400 0.105 -5.671 1.00 1.01 H new ATOM 0 HD2 LYS A 10 -5.158 -0.172 -8.105 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -5.022 -1.910 -7.923 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -7.317 -1.992 -6.966 1.00 1.28 H new ATOM 0 HE3 LYS A 10 -7.454 -0.254 -7.140 1.00 1.28 H new ATOM 0 HZ1 LYS A 10 -8.510 -1.403 -8.974 1.00 2.04 H new ATOM 0 HZ2 LYS A 10 -7.188 -0.500 -9.540 1.00 2.04 H new ATOM 0 HZ3 LYS A 10 -7.056 -2.184 -9.372 1.00 2.04 H new ATOM 149 N ILE A 11 -1.036 -2.059 -4.062 1.00 0.36 N ATOM 150 CA ILE A 11 0.380 -2.403 -3.992 1.00 0.36 C ATOM 151 C ILE A 11 0.895 -2.879 -5.346 1.00 0.32 C ATOM 152 O ILE A 11 0.369 -3.833 -5.917 1.00 0.38 O ATOM 153 CB ILE A 11 0.643 -3.508 -2.949 1.00 0.41 C ATOM 154 CG1 ILE A 11 0.128 -3.082 -1.574 1.00 0.48 C ATOM 155 CG2 ILE A 11 2.126 -3.840 -2.887 1.00 0.43 C ATOM 156 CD1 ILE A 11 0.333 -4.132 -0.501 1.00 0.56 C ATOM 0 H ILE A 11 -1.665 -2.785 -3.718 1.00 0.36 H new ATOM 0 HA ILE A 11 0.908 -1.497 -3.695 1.00 0.36 H new ATOM 0 HB ILE A 11 0.103 -4.405 -3.253 1.00 0.41 H new ATOM 0 HG12 ILE A 11 0.633 -2.164 -1.274 1.00 0.48 H new ATOM 0 HG13 ILE A 11 -0.935 -2.852 -1.648 1.00 0.48 H new ATOM 0 HG21 ILE A 11 2.293 -4.622 -2.146 1.00 0.43 H new ATOM 0 HG22 ILE A 11 2.462 -4.188 -3.864 1.00 0.43 H new ATOM 0 HG23 ILE A 11 2.687 -2.948 -2.607 1.00 0.43 H new ATOM 0 HD11 ILE A 11 -0.055 -3.763 0.448 1.00 0.56 H new ATOM 0 HD12 ILE A 11 -0.195 -5.044 -0.779 1.00 0.56 H new ATOM 0 HD13 ILE A 11 1.397 -4.345 -0.399 1.00 0.56 H new ATOM 167 N THR A 12 1.928 -2.211 -5.848 1.00 0.28 N ATOM 168 CA THR A 12 2.522 -2.569 -7.131 1.00 0.27 C ATOM 169 C THR A 12 4.042 -2.606 -7.024 1.00 0.27 C ATOM 170 O THR A 12 4.750 -1.958 -7.795 1.00 0.30 O ATOM 171 CB THR A 12 2.112 -1.581 -8.239 1.00 0.30 C ATOM 172 OG1 THR A 12 0.692 -1.393 -8.228 1.00 0.91 O ATOM 173 CG2 THR A 12 2.545 -2.091 -9.607 1.00 0.97 C ATOM 0 H THR A 12 2.372 -1.418 -5.385 1.00 0.28 H new ATOM 0 HA THR A 12 2.150 -3.559 -7.395 1.00 0.27 H new ATOM 0 HB THR A 12 2.608 -0.630 -8.046 1.00 0.30 H new ATOM 0 HG1 THR A 12 0.440 -0.762 -8.934 1.00 0.91 H new ATOM 0 HG21 THR A 12 2.245 -1.377 -10.373 1.00 0.97 H new ATOM 0 HG22 THR A 12 3.628 -2.209 -9.625 1.00 0.97 H new ATOM 0 HG23 THR A 12 2.072 -3.053 -9.803 1.00 0.97 H new ATOM 181 N GLY A 13 4.537 -3.369 -6.055 1.00 0.29 N ATOM 182 CA GLY A 13 5.968 -3.483 -5.850 1.00 0.33 C ATOM 183 C GLY A 13 6.711 -3.887 -7.106 1.00 0.37 C ATOM 184 O GLY A 13 6.922 -5.072 -7.358 1.00 0.45 O ATOM 0 H GLY A 13 3.969 -3.913 -5.405 1.00 0.29 H new ATOM 0 HA2 GLY A 13 6.357 -2.529 -5.495 1.00 0.33 H new ATOM 0 HA3 GLY A 13 6.161 -4.217 -5.067 1.00 0.33 H new ATOM 188 N PHE A 14 7.111 -2.897 -7.899 1.00 0.34 N ATOM 189 CA PHE A 14 7.839 -3.155 -9.134 1.00 0.41 C ATOM 190 C PHE A 14 8.834 -2.037 -9.427 1.00 0.39 C ATOM 191 O PHE A 14 8.447 -0.930 -9.799 1.00 0.43 O ATOM 192 CB PHE A 14 6.868 -3.306 -10.306 1.00 0.50 C ATOM 193 CG PHE A 14 7.541 -3.679 -11.595 1.00 0.60 C ATOM 194 CD1 PHE A 14 8.267 -2.740 -12.310 1.00 0.69 C ATOM 195 CD2 PHE A 14 7.447 -4.969 -12.092 1.00 0.70 C ATOM 196 CE1 PHE A 14 8.886 -3.081 -13.498 1.00 0.79 C ATOM 197 CE2 PHE A 14 8.062 -5.316 -13.278 1.00 0.81 C ATOM 198 CZ PHE A 14 8.793 -4.367 -13.979 1.00 0.81 C ATOM 0 H PHE A 14 6.943 -1.909 -7.707 1.00 0.34 H new ATOM 0 HA PHE A 14 8.392 -4.086 -9.007 1.00 0.41 H new ATOM 0 HB2 PHE A 14 6.127 -4.066 -10.058 1.00 0.50 H new ATOM 0 HB3 PHE A 14 6.329 -2.369 -10.444 1.00 0.50 H new ATOM 0 HD1 PHE A 14 8.350 -1.731 -11.935 1.00 0.69 H new ATOM 0 HD2 PHE A 14 6.886 -5.712 -11.545 1.00 0.70 H new ATOM 0 HE1 PHE A 14 9.443 -2.338 -14.049 1.00 0.79 H new ATOM 0 HE2 PHE A 14 7.975 -6.323 -13.659 1.00 0.81 H new ATOM 0 HZ PHE A 14 9.288 -4.637 -14.900 1.00 0.81 H new ATOM 207 N SER A 15 10.117 -2.336 -9.253 1.00 0.40 N ATOM 208 CA SER A 15 11.169 -1.357 -9.500 1.00 0.41 C ATOM 209 C SER A 15 11.954 -1.710 -10.759 1.00 0.43 C ATOM 210 O SER A 15 11.874 -2.833 -11.258 1.00 0.48 O ATOM 211 CB SER A 15 12.117 -1.280 -8.301 1.00 0.39 C ATOM 212 OG SER A 15 11.407 -1.003 -7.106 1.00 0.76 O ATOM 0 H SER A 15 10.453 -3.248 -8.942 1.00 0.40 H new ATOM 0 HA SER A 15 10.698 -0.385 -9.645 1.00 0.41 H new ATOM 0 HB2 SER A 15 12.655 -2.222 -8.198 1.00 0.39 H new ATOM 0 HB3 SER A 15 12.863 -0.504 -8.473 1.00 0.39 H new ATOM 0 HG SER A 15 10.736 -0.310 -7.277 1.00 0.76 H new ATOM 217 N ARG A 16 12.714 -0.745 -11.268 1.00 0.57 N ATOM 218 CA ARG A 16 13.514 -0.956 -12.469 1.00 0.61 C ATOM 219 C ARG A 16 14.439 -2.159 -12.305 1.00 0.59 C ATOM 220 O ARG A 16 14.876 -2.756 -13.289 1.00 0.63 O ATOM 221 CB ARG A 16 14.338 0.294 -12.790 1.00 0.69 C ATOM 222 CG ARG A 16 15.504 0.524 -11.841 1.00 1.14 C ATOM 223 CD ARG A 16 15.032 0.811 -10.425 1.00 1.37 C ATOM 224 NE ARG A 16 16.144 1.129 -9.535 1.00 2.19 N ATOM 225 CZ ARG A 16 15.990 1.572 -8.292 1.00 2.67 C ATOM 226 NH1 ARG A 16 14.773 1.746 -7.794 1.00 2.41 N ATOM 227 NH2 ARG A 16 17.052 1.842 -7.545 1.00 3.58 N ATOM 0 H ARG A 16 12.792 0.190 -10.868 1.00 0.57 H new ATOM 0 HA ARG A 16 12.832 -1.154 -13.295 1.00 0.61 H new ATOM 0 HB2 ARG A 16 14.721 0.213 -13.807 1.00 0.69 H new ATOM 0 HB3 ARG A 16 13.684 1.165 -12.764 1.00 0.69 H new ATOM 0 HG2 ARG A 16 16.149 -0.355 -11.838 1.00 1.14 H new ATOM 0 HG3 ARG A 16 16.105 1.359 -12.200 1.00 1.14 H new ATOM 0 HD2 ARG A 16 14.328 1.643 -10.439 1.00 1.37 H new ATOM 0 HD3 ARG A 16 14.494 -0.055 -10.039 1.00 1.37 H new ATOM 0 HE ARG A 16 17.093 1.004 -9.887 1.00 2.19 H new ATOM 0 HH11 ARG A 16 13.954 1.540 -8.366 1.00 2.41 H new ATOM 0 HH12 ARG A 16 14.656 2.086 -6.839 1.00 2.41 H new ATOM 0 HH21 ARG A 16 17.989 1.710 -7.925 1.00 3.58 H new ATOM 0 HH22 ARG A 16 16.931 2.182 -6.591 1.00 3.58 H new ATOM 238 N ASP A 17 14.736 -2.511 -11.056 1.00 0.58 N ATOM 239 CA ASP A 17 15.607 -3.644 -10.769 1.00 0.63 C ATOM 240 C ASP A 17 15.474 -4.071 -9.310 1.00 0.57 C ATOM 241 O ASP A 17 16.467 -4.373 -8.648 1.00 0.62 O ATOM 242 CB ASP A 17 17.062 -3.286 -11.081 1.00 0.77 C ATOM 243 CG ASP A 17 18.006 -4.457 -10.881 1.00 1.61 C ATOM 244 OD1 ASP A 17 18.156 -5.265 -11.821 1.00 2.48 O ATOM 245 OD2 ASP A 17 18.598 -4.563 -9.786 1.00 1.86 O ATOM 0 H ASP A 17 14.386 -2.028 -10.229 1.00 0.58 H new ATOM 0 HA ASP A 17 15.304 -4.478 -11.402 1.00 0.63 H new ATOM 0 HB2 ASP A 17 17.134 -2.938 -12.111 1.00 0.77 H new ATOM 0 HB3 ASP A 17 17.374 -2.459 -10.443 1.00 0.77 H new ATOM 249 N ILE A 18 14.238 -4.104 -8.816 1.00 0.51 N ATOM 250 CA ILE A 18 13.967 -4.492 -7.434 1.00 0.50 C ATOM 251 C ILE A 18 14.770 -5.727 -7.030 1.00 0.50 C ATOM 252 O ILE A 18 14.836 -6.705 -7.775 1.00 0.57 O ATOM 253 CB ILE A 18 12.468 -4.777 -7.218 1.00 0.48 C ATOM 254 CG1 ILE A 18 12.177 -5.004 -5.735 1.00 0.52 C ATOM 255 CG2 ILE A 18 12.037 -5.983 -8.039 1.00 0.47 C ATOM 256 CD1 ILE A 18 10.714 -5.254 -5.441 1.00 0.56 C ATOM 0 H ILE A 18 13.406 -3.866 -9.355 1.00 0.51 H new ATOM 0 HA ILE A 18 14.269 -3.652 -6.809 1.00 0.50 H new ATOM 0 HB ILE A 18 11.896 -3.911 -7.551 1.00 0.48 H new ATOM 0 HG12 ILE A 18 12.761 -5.855 -5.384 1.00 0.52 H new ATOM 0 HG13 ILE A 18 12.510 -4.134 -5.170 1.00 0.52 H new ATOM 0 HG21 ILE A 18 10.976 -6.173 -7.877 1.00 0.47 H new ATOM 0 HG22 ILE A 18 12.213 -5.785 -9.096 1.00 0.47 H new ATOM 0 HG23 ILE A 18 12.613 -6.856 -7.733 1.00 0.47 H new ATOM 0 HD11 ILE A 18 10.579 -5.407 -4.370 1.00 0.56 H new ATOM 0 HD12 ILE A 18 10.126 -4.394 -5.762 1.00 0.56 H new ATOM 0 HD13 ILE A 18 10.381 -6.142 -5.979 1.00 0.56 H new ATOM 267 N SER A 19 15.380 -5.673 -5.850 1.00 0.57 N ATOM 268 CA SER A 19 16.178 -6.787 -5.349 1.00 0.59 C ATOM 269 C SER A 19 15.297 -7.820 -4.652 1.00 0.52 C ATOM 270 O SER A 19 14.210 -7.498 -4.174 1.00 0.50 O ATOM 271 CB SER A 19 17.250 -6.280 -4.384 1.00 0.70 C ATOM 272 OG SER A 19 18.139 -5.386 -5.029 1.00 1.50 O ATOM 0 H SER A 19 15.337 -4.870 -5.223 1.00 0.57 H new ATOM 0 HA SER A 19 16.662 -7.265 -6.201 1.00 0.59 H new ATOM 0 HB2 SER A 19 16.776 -5.779 -3.540 1.00 0.70 H new ATOM 0 HB3 SER A 19 17.809 -7.125 -3.981 1.00 0.70 H new ATOM 0 HG SER A 19 18.813 -5.076 -4.389 1.00 1.50 H new ATOM 277 N PRO A 20 15.759 -9.082 -4.585 1.00 0.54 N ATOM 278 CA PRO A 20 15.007 -10.167 -3.941 1.00 0.51 C ATOM 279 C PRO A 20 14.777 -9.913 -2.455 1.00 0.53 C ATOM 280 O PRO A 20 13.786 -10.367 -1.887 1.00 0.51 O ATOM 281 CB PRO A 20 15.898 -11.397 -4.141 1.00 0.55 C ATOM 282 CG PRO A 20 17.256 -10.853 -4.417 1.00 0.61 C ATOM 283 CD PRO A 20 17.042 -9.551 -5.131 1.00 0.61 C ATOM 0 HA PRO A 20 14.011 -10.275 -4.369 1.00 0.51 H new ATOM 0 HB2 PRO A 20 15.900 -12.030 -3.254 1.00 0.55 H new ATOM 0 HB3 PRO A 20 15.543 -12.010 -4.970 1.00 0.55 H new ATOM 0 HG2 PRO A 20 17.812 -10.704 -3.492 1.00 0.61 H new ATOM 0 HG3 PRO A 20 17.836 -11.543 -5.030 1.00 0.61 H new ATOM 0 HD2 PRO A 20 17.848 -8.844 -4.932 1.00 0.61 H new ATOM 0 HD3 PRO A 20 16.996 -9.686 -6.212 1.00 0.61 H new ATOM 288 N ALA A 21 15.701 -9.194 -1.827 1.00 0.58 N ATOM 289 CA ALA A 21 15.578 -8.879 -0.408 1.00 0.64 C ATOM 290 C ALA A 21 14.218 -8.261 -0.111 1.00 0.62 C ATOM 291 O ALA A 21 13.553 -8.629 0.858 1.00 0.65 O ATOM 292 CB ALA A 21 16.695 -7.940 0.027 1.00 0.71 C ATOM 0 H ALA A 21 16.538 -8.820 -2.274 1.00 0.58 H new ATOM 0 HA ALA A 21 15.664 -9.807 0.158 1.00 0.64 H new ATOM 0 HB1 ALA A 21 16.589 -7.715 1.088 1.00 0.71 H new ATOM 0 HB2 ALA A 21 17.660 -8.416 -0.148 1.00 0.71 H new ATOM 0 HB3 ALA A 21 16.638 -7.015 -0.547 1.00 0.71 H new ATOM 298 N TYR A 22 13.813 -7.318 -0.954 1.00 0.60 N ATOM 299 CA TYR A 22 12.530 -6.644 -0.795 1.00 0.61 C ATOM 300 C TYR A 22 11.411 -7.447 -1.452 1.00 0.54 C ATOM 301 O TYR A 22 10.319 -7.577 -0.898 1.00 0.57 O ATOM 302 CB TYR A 22 12.590 -5.243 -1.404 1.00 0.66 C ATOM 303 CG TYR A 22 13.655 -4.357 -0.794 1.00 0.90 C ATOM 304 CD1 TYR A 22 14.980 -4.454 -1.199 1.00 1.28 C ATOM 305 CD2 TYR A 22 13.334 -3.427 0.186 1.00 0.99 C ATOM 306 CE1 TYR A 22 15.957 -3.649 -0.645 1.00 1.72 C ATOM 307 CE2 TYR A 22 14.305 -2.618 0.745 1.00 1.34 C ATOM 308 CZ TYR A 22 15.613 -2.728 0.321 1.00 1.72 C ATOM 309 OH TYR A 22 16.582 -1.929 0.884 1.00 2.17 O ATOM 0 H TYR A 22 14.357 -7.002 -1.757 1.00 0.60 H new ATOM 0 HA TYR A 22 12.319 -6.562 0.271 1.00 0.61 H new ATOM 0 HB2 TYR A 22 12.773 -5.330 -2.475 1.00 0.66 H new ATOM 0 HB3 TYR A 22 11.619 -4.763 -1.284 1.00 0.66 H new ATOM 0 HD1 TYR A 22 15.251 -5.171 -1.960 1.00 1.28 H new ATOM 0 HD2 TYR A 22 12.310 -3.335 0.516 1.00 0.99 H new ATOM 0 HE1 TYR A 22 16.984 -3.741 -0.967 1.00 1.72 H new ATOM 0 HE2 TYR A 22 14.041 -1.903 1.510 1.00 1.34 H new ATOM 0 HH TYR A 22 16.156 -1.195 1.374 1.00 2.17 H new ATOM 318 N ARG A 23 11.690 -7.979 -2.637 1.00 0.48 N ATOM 319 CA ARG A 23 10.710 -8.767 -3.376 1.00 0.44 C ATOM 320 C ARG A 23 10.376 -10.059 -2.635 1.00 0.45 C ATOM 321 O ARG A 23 9.229 -10.289 -2.250 1.00 0.45 O ATOM 322 CB ARG A 23 11.233 -9.090 -4.775 1.00 0.45 C ATOM 323 CG ARG A 23 10.268 -9.920 -5.606 1.00 0.54 C ATOM 324 CD ARG A 23 8.963 -9.178 -5.844 1.00 0.53 C ATOM 325 NE ARG A 23 7.998 -9.987 -6.581 1.00 0.70 N ATOM 326 CZ ARG A 23 6.835 -9.520 -7.025 1.00 1.08 C ATOM 327 NH1 ARG A 23 6.499 -8.256 -6.804 1.00 1.57 N ATOM 328 NH2 ARG A 23 6.007 -10.317 -7.687 1.00 1.47 N ATOM 0 H ARG A 23 12.589 -7.878 -3.108 1.00 0.48 H new ATOM 0 HA ARG A 23 9.799 -8.174 -3.464 1.00 0.44 H new ATOM 0 HB2 ARG A 23 11.443 -8.158 -5.300 1.00 0.45 H new ATOM 0 HB3 ARG A 23 12.178 -9.626 -4.686 1.00 0.45 H new ATOM 0 HG2 ARG A 23 10.728 -10.166 -6.563 1.00 0.54 H new ATOM 0 HG3 ARG A 23 10.065 -10.863 -5.098 1.00 0.54 H new ATOM 0 HD2 ARG A 23 8.533 -8.885 -4.886 1.00 0.53 H new ATOM 0 HD3 ARG A 23 9.164 -8.261 -6.397 1.00 0.53 H new ATOM 0 HE ARG A 23 8.228 -10.963 -6.766 1.00 0.70 H new ATOM 0 HH11 ARG A 23 7.133 -7.642 -6.293 1.00 1.57 H new ATOM 0 HH12 ARG A 23 5.607 -7.898 -7.145 1.00 1.57 H new ATOM 0 HH21 ARG A 23 6.262 -11.290 -7.856 1.00 1.47 H new ATOM 0 HH22 ARG A 23 5.115 -9.957 -8.027 1.00 1.47 H new ATOM 339 N GLN A 24 11.388 -10.899 -2.441 1.00 0.49 N ATOM 340 CA GLN A 24 11.207 -12.169 -1.747 1.00 0.55 C ATOM 341 C GLN A 24 10.535 -11.968 -0.392 1.00 0.58 C ATOM 342 O GLN A 24 9.924 -12.890 0.149 1.00 0.66 O ATOM 343 CB GLN A 24 12.556 -12.863 -1.559 1.00 0.69 C ATOM 344 CG GLN A 24 13.297 -13.109 -2.862 1.00 1.52 C ATOM 345 CD GLN A 24 12.492 -13.944 -3.838 1.00 2.03 C ATOM 346 OE1 GLN A 24 11.741 -13.413 -4.656 1.00 2.61 O ATOM 347 NE2 GLN A 24 12.642 -15.260 -3.752 1.00 2.69 N ATOM 0 H GLN A 24 12.342 -10.723 -2.755 1.00 0.49 H new ATOM 0 HA GLN A 24 10.559 -12.796 -2.359 1.00 0.55 H new ATOM 0 HB2 GLN A 24 13.180 -12.255 -0.904 1.00 0.69 H new ATOM 0 HB3 GLN A 24 12.398 -13.816 -1.054 1.00 0.69 H new ATOM 0 HG2 GLN A 24 13.542 -12.152 -3.323 1.00 1.52 H new ATOM 0 HG3 GLN A 24 14.241 -13.612 -2.650 1.00 1.52 H new ATOM 0 HE21 GLN A 24 13.276 -15.657 -3.058 1.00 2.69 H new ATOM 0 HE22 GLN A 24 12.123 -15.874 -4.380 1.00 2.69 H new ATOM 354 N LYS A 25 10.650 -10.760 0.150 1.00 0.59 N ATOM 355 CA LYS A 25 10.056 -10.442 1.440 1.00 0.68 C ATOM 356 C LYS A 25 8.540 -10.311 1.321 1.00 0.61 C ATOM 357 O LYS A 25 7.798 -10.763 2.193 1.00 0.71 O ATOM 358 CB LYS A 25 10.664 -9.146 1.982 1.00 0.79 C ATOM 359 CG LYS A 25 9.949 -8.599 3.202 1.00 0.99 C ATOM 360 CD LYS A 25 10.569 -7.293 3.673 1.00 1.43 C ATOM 361 CE LYS A 25 12.043 -7.467 4.007 1.00 2.05 C ATOM 362 NZ LYS A 25 12.662 -6.191 4.461 1.00 2.59 N ATOM 0 H LYS A 25 11.150 -9.985 -0.286 1.00 0.59 H new ATOM 0 HA LYS A 25 10.270 -11.254 2.134 1.00 0.68 H new ATOM 0 HB2 LYS A 25 11.709 -9.324 2.234 1.00 0.79 H new ATOM 0 HB3 LYS A 25 10.650 -8.392 1.195 1.00 0.79 H new ATOM 0 HG2 LYS A 25 8.897 -8.439 2.967 1.00 0.99 H new ATOM 0 HG3 LYS A 25 9.988 -9.333 4.007 1.00 0.99 H new ATOM 0 HD2 LYS A 25 10.457 -6.535 2.898 1.00 1.43 H new ATOM 0 HD3 LYS A 25 10.035 -6.931 4.552 1.00 1.43 H new ATOM 0 HE2 LYS A 25 12.152 -8.221 4.786 1.00 2.05 H new ATOM 0 HE3 LYS A 25 12.573 -7.836 3.129 1.00 2.05 H new ATOM 0 HZ1 LYS A 25 13.666 -6.351 4.679 1.00 2.59 H new ATOM 0 HZ2 LYS A 25 12.580 -5.478 3.708 1.00 2.59 H new ATOM 0 HZ3 LYS A 25 12.172 -5.852 5.314 1.00 2.59 H new ATOM 372 N LEU A 26 8.088 -9.689 0.237 1.00 0.55 N ATOM 373 CA LEU A 26 6.661 -9.501 0.002 1.00 0.57 C ATOM 374 C LEU A 26 5.955 -10.843 -0.160 1.00 0.60 C ATOM 375 O LEU A 26 4.880 -11.061 0.398 1.00 0.68 O ATOM 376 CB LEU A 26 6.438 -8.641 -1.245 1.00 0.55 C ATOM 377 CG LEU A 26 4.973 -8.364 -1.584 1.00 0.69 C ATOM 378 CD1 LEU A 26 4.283 -7.656 -0.429 1.00 1.30 C ATOM 379 CD2 LEU A 26 4.868 -7.538 -2.859 1.00 1.29 C ATOM 0 H LEU A 26 8.689 -9.307 -0.493 1.00 0.55 H new ATOM 0 HA LEU A 26 6.239 -8.991 0.868 1.00 0.57 H new ATOM 0 HB2 LEU A 26 6.950 -7.689 -1.108 1.00 0.55 H new ATOM 0 HB3 LEU A 26 6.906 -9.134 -2.097 1.00 0.55 H new ATOM 0 HG LEU A 26 4.471 -9.317 -1.750 1.00 0.69 H new ATOM 0 HD11 LEU A 26 3.241 -7.467 -0.688 1.00 1.30 H new ATOM 0 HD12 LEU A 26 4.327 -8.284 0.461 1.00 1.30 H new ATOM 0 HD13 LEU A 26 4.785 -6.709 -0.231 1.00 1.30 H new ATOM 0 HD21 LEU A 26 3.818 -7.350 -3.085 1.00 1.29 H new ATOM 0 HD22 LEU A 26 5.385 -6.588 -2.721 1.00 1.29 H new ATOM 0 HD23 LEU A 26 5.325 -8.083 -3.685 1.00 1.29 H new ATOM 390 N LEU A 27 6.567 -11.740 -0.926 1.00 0.59 N ATOM 391 CA LEU A 27 6.002 -13.060 -1.163 1.00 0.71 C ATOM 392 C LEU A 27 5.616 -13.733 0.151 1.00 0.82 C ATOM 393 O LEU A 27 4.735 -14.590 0.185 1.00 0.95 O ATOM 394 CB LEU A 27 6.998 -13.936 -1.926 1.00 0.75 C ATOM 395 CG LEU A 27 7.343 -13.447 -3.334 1.00 0.71 C ATOM 396 CD1 LEU A 27 8.436 -14.311 -3.945 1.00 0.82 C ATOM 397 CD2 LEU A 27 6.105 -13.449 -4.217 1.00 0.77 C ATOM 0 H LEU A 27 7.458 -11.574 -1.394 1.00 0.59 H new ATOM 0 HA LEU A 27 5.101 -12.938 -1.765 1.00 0.71 H new ATOM 0 HB2 LEU A 27 7.918 -14.004 -1.346 1.00 0.75 H new ATOM 0 HB3 LEU A 27 6.591 -14.945 -1.998 1.00 0.75 H new ATOM 0 HG LEU A 27 7.713 -12.424 -3.263 1.00 0.71 H new ATOM 0 HD11 LEU A 27 8.669 -13.949 -4.946 1.00 0.82 H new ATOM 0 HD12 LEU A 27 9.330 -14.260 -3.324 1.00 0.82 H new ATOM 0 HD13 LEU A 27 8.093 -15.344 -4.003 1.00 0.82 H new ATOM 0 HD21 LEU A 27 6.369 -13.098 -5.215 1.00 0.77 H new ATOM 0 HD22 LEU A 27 5.706 -14.461 -4.282 1.00 0.77 H new ATOM 0 HD23 LEU A 27 5.351 -12.789 -3.788 1.00 0.77 H new ATOM 408 N SER A 28 6.284 -13.339 1.231 1.00 0.84 N ATOM 409 CA SER A 28 6.012 -13.907 2.546 1.00 0.98 C ATOM 410 C SER A 28 4.529 -13.803 2.891 1.00 0.89 C ATOM 411 O SER A 28 3.968 -14.693 3.532 1.00 0.99 O ATOM 412 CB SER A 28 6.847 -13.197 3.613 1.00 1.15 C ATOM 413 OG SER A 28 8.233 -13.336 3.353 1.00 1.64 O ATOM 0 H SER A 28 7.017 -12.629 1.221 1.00 0.84 H new ATOM 0 HA SER A 28 6.286 -14.962 2.521 1.00 0.98 H new ATOM 0 HB2 SER A 28 6.584 -12.140 3.641 1.00 1.15 H new ATOM 0 HB3 SER A 28 6.615 -13.610 4.595 1.00 1.15 H new ATOM 0 HG SER A 28 8.556 -12.547 2.869 1.00 1.64 H new ATOM 418 N LEU A 29 3.899 -12.716 2.459 1.00 0.78 N ATOM 419 CA LEU A 29 2.481 -12.499 2.724 1.00 0.78 C ATOM 420 C LEU A 29 1.628 -13.003 1.563 1.00 0.74 C ATOM 421 O LEU A 29 0.458 -13.343 1.741 1.00 0.82 O ATOM 422 CB LEU A 29 2.204 -11.014 2.967 1.00 0.86 C ATOM 423 CG LEU A 29 2.822 -10.438 4.242 1.00 1.06 C ATOM 424 CD1 LEU A 29 2.314 -11.183 5.466 1.00 1.64 C ATOM 425 CD2 LEU A 29 4.341 -10.496 4.174 1.00 1.42 C ATOM 0 H LEU A 29 4.347 -11.972 1.924 1.00 0.78 H new ATOM 0 HA LEU A 29 2.216 -13.061 3.620 1.00 0.78 H new ATOM 0 HB2 LEU A 29 2.576 -10.447 2.114 1.00 0.86 H new ATOM 0 HB3 LEU A 29 1.125 -10.863 3.005 1.00 0.86 H new ATOM 0 HG LEU A 29 2.522 -9.394 4.326 1.00 1.06 H new ATOM 0 HD11 LEU A 29 2.765 -10.759 6.363 1.00 1.64 H new ATOM 0 HD12 LEU A 29 1.230 -11.089 5.525 1.00 1.64 H new ATOM 0 HD13 LEU A 29 2.583 -12.236 5.388 1.00 1.64 H new ATOM 0 HD21 LEU A 29 4.762 -10.082 5.090 1.00 1.42 H new ATOM 0 HD22 LEU A 29 4.661 -11.532 4.064 1.00 1.42 H new ATOM 0 HD23 LEU A 29 4.689 -9.916 3.320 1.00 1.42 H new ATOM 436 N GLY A 30 2.222 -13.047 0.375 1.00 0.68 N ATOM 437 CA GLY A 30 1.504 -13.513 -0.796 1.00 0.73 C ATOM 438 C GLY A 30 0.789 -12.396 -1.531 1.00 0.71 C ATOM 439 O GLY A 30 -0.093 -12.650 -2.352 1.00 0.82 O ATOM 0 H GLY A 30 3.188 -12.768 0.203 1.00 0.68 H new ATOM 0 HA2 GLY A 30 2.204 -13.999 -1.476 1.00 0.73 H new ATOM 0 HA3 GLY A 30 0.777 -14.267 -0.494 1.00 0.73 H new ATOM 443 N MET A 31 1.168 -11.153 -1.241 1.00 0.63 N ATOM 444 CA MET A 31 0.554 -10.000 -1.884 1.00 0.66 C ATOM 445 C MET A 31 1.290 -9.646 -3.172 1.00 0.56 C ATOM 446 O MET A 31 2.328 -8.988 -3.146 1.00 0.54 O ATOM 447 CB MET A 31 0.556 -8.801 -0.934 1.00 0.74 C ATOM 448 CG MET A 31 -0.269 -9.023 0.322 1.00 0.94 C ATOM 449 SD MET A 31 -0.206 -7.620 1.451 1.00 1.95 S ATOM 450 CE MET A 31 -1.282 -8.195 2.761 1.00 2.55 C ATOM 0 H MET A 31 1.896 -10.922 -0.566 1.00 0.63 H new ATOM 0 HA MET A 31 -0.476 -10.255 -2.132 1.00 0.66 H new ATOM 0 HB2 MET A 31 1.583 -8.575 -0.649 1.00 0.74 H new ATOM 0 HB3 MET A 31 0.172 -7.928 -1.462 1.00 0.74 H new ATOM 0 HG2 MET A 31 -1.305 -9.213 0.042 1.00 0.94 H new ATOM 0 HG3 MET A 31 0.091 -9.914 0.836 1.00 0.94 H new ATOM 0 HE1 MET A 31 -1.346 -7.434 3.539 1.00 2.55 H new ATOM 0 HE2 MET A 31 -2.276 -8.386 2.358 1.00 2.55 H new ATOM 0 HE3 MET A 31 -0.879 -9.115 3.185 1.00 2.55 H new ATOM 458 N LEU A 32 0.745 -10.095 -4.297 1.00 0.56 N ATOM 459 CA LEU A 32 1.347 -9.826 -5.595 1.00 0.49 C ATOM 460 C LEU A 32 0.929 -8.451 -6.104 1.00 0.44 C ATOM 461 O LEU A 32 -0.073 -7.896 -5.656 1.00 0.45 O ATOM 462 CB LEU A 32 0.946 -10.905 -6.604 1.00 0.52 C ATOM 463 CG LEU A 32 1.520 -12.298 -6.335 1.00 0.59 C ATOM 464 CD1 LEU A 32 0.946 -12.878 -5.050 1.00 0.69 C ATOM 465 CD2 LEU A 32 1.240 -13.222 -7.510 1.00 0.66 C ATOM 0 H LEU A 32 -0.112 -10.647 -4.335 1.00 0.56 H new ATOM 0 HA LEU A 32 2.431 -9.840 -5.479 1.00 0.49 H new ATOM 0 HB2 LEU A 32 -0.142 -10.976 -6.622 1.00 0.52 H new ATOM 0 HB3 LEU A 32 1.262 -10.586 -7.597 1.00 0.52 H new ATOM 0 HG LEU A 32 2.600 -12.208 -6.215 1.00 0.59 H new ATOM 0 HD11 LEU A 32 1.367 -13.868 -4.878 1.00 0.69 H new ATOM 0 HD12 LEU A 32 1.197 -12.226 -4.213 1.00 0.69 H new ATOM 0 HD13 LEU A 32 -0.138 -12.955 -5.138 1.00 0.69 H new ATOM 0 HD21 LEU A 32 1.654 -14.209 -7.304 1.00 0.66 H new ATOM 0 HD22 LEU A 32 0.163 -13.304 -7.660 1.00 0.66 H new ATOM 0 HD23 LEU A 32 1.701 -12.816 -8.410 1.00 0.66 H new ATOM 476 N PRO A 33 1.696 -7.880 -7.048 1.00 0.41 N ATOM 477 CA PRO A 33 1.396 -6.566 -7.614 1.00 0.40 C ATOM 478 C PRO A 33 -0.090 -6.400 -7.916 1.00 0.38 C ATOM 479 O PRO A 33 -0.783 -7.370 -8.224 1.00 0.51 O ATOM 480 CB PRO A 33 2.216 -6.551 -8.900 1.00 0.43 C ATOM 481 CG PRO A 33 3.392 -7.415 -8.601 1.00 0.45 C ATOM 482 CD PRO A 33 2.911 -8.471 -7.641 1.00 0.43 C ATOM 0 HA PRO A 33 1.638 -5.751 -6.931 1.00 0.40 H new ATOM 0 HB2 PRO A 33 1.642 -6.939 -9.742 1.00 0.43 H new ATOM 0 HB3 PRO A 33 2.523 -5.539 -9.163 1.00 0.43 H new ATOM 0 HG2 PRO A 33 3.783 -7.868 -9.512 1.00 0.45 H new ATOM 0 HG3 PRO A 33 4.201 -6.831 -8.163 1.00 0.45 H new ATOM 0 HD2 PRO A 33 2.691 -9.407 -8.154 1.00 0.43 H new ATOM 0 HD3 PRO A 33 3.660 -8.692 -6.881 1.00 0.43 H new ATOM 487 N GLY A 34 -0.572 -5.168 -7.828 1.00 0.34 N ATOM 488 CA GLY A 34 -1.973 -4.901 -8.089 1.00 0.33 C ATOM 489 C GLY A 34 -2.862 -5.293 -6.923 1.00 0.31 C ATOM 490 O GLY A 34 -4.074 -5.445 -7.085 1.00 0.40 O ATOM 0 H GLY A 34 -0.018 -4.348 -7.580 1.00 0.34 H new ATOM 0 HA2 GLY A 34 -2.105 -3.840 -8.303 1.00 0.33 H new ATOM 0 HA3 GLY A 34 -2.285 -5.446 -8.980 1.00 0.33 H new ATOM 494 N SER A 35 -2.262 -5.456 -5.746 1.00 0.28 N ATOM 495 CA SER A 35 -3.015 -5.833 -4.554 1.00 0.28 C ATOM 496 C SER A 35 -3.756 -4.626 -3.988 1.00 0.28 C ATOM 497 O SER A 35 -3.582 -3.504 -4.464 1.00 0.37 O ATOM 498 CB SER A 35 -2.084 -6.422 -3.490 1.00 0.31 C ATOM 499 OG SER A 35 -2.789 -6.697 -2.291 1.00 0.62 O ATOM 0 H SER A 35 -1.261 -5.333 -5.593 1.00 0.28 H new ATOM 0 HA SER A 35 -3.743 -6.592 -4.838 1.00 0.28 H new ATOM 0 HB2 SER A 35 -1.630 -7.338 -3.867 1.00 0.31 H new ATOM 0 HB3 SER A 35 -1.272 -5.724 -3.286 1.00 0.31 H new ATOM 0 HG SER A 35 -2.173 -7.074 -1.628 1.00 0.62 H new ATOM 504 N SER A 36 -4.579 -4.858 -2.971 1.00 0.25 N ATOM 505 CA SER A 36 -5.343 -3.783 -2.349 1.00 0.25 C ATOM 506 C SER A 36 -5.015 -3.671 -0.863 1.00 0.23 C ATOM 507 O SER A 36 -4.929 -4.678 -0.159 1.00 0.28 O ATOM 508 CB SER A 36 -6.842 -4.021 -2.536 1.00 0.30 C ATOM 509 OG SER A 36 -7.602 -2.984 -1.937 1.00 1.30 O ATOM 0 H SER A 36 -4.734 -5.779 -2.561 1.00 0.25 H new ATOM 0 HA SER A 36 -5.067 -2.847 -2.835 1.00 0.25 H new ATOM 0 HB2 SER A 36 -7.074 -4.079 -3.599 1.00 0.30 H new ATOM 0 HB3 SER A 36 -7.119 -4.979 -2.097 1.00 0.30 H new ATOM 0 HG SER A 36 -8.557 -3.158 -2.072 1.00 1.30 H new ATOM 514 N PHE A 37 -4.831 -2.441 -0.391 1.00 0.22 N ATOM 515 CA PHE A 37 -4.515 -2.203 1.013 1.00 0.23 C ATOM 516 C PHE A 37 -5.018 -0.833 1.465 1.00 0.23 C ATOM 517 O PHE A 37 -5.499 -0.038 0.656 1.00 0.33 O ATOM 518 CB PHE A 37 -3.004 -2.307 1.245 1.00 0.25 C ATOM 519 CG PHE A 37 -2.223 -1.136 0.710 1.00 0.26 C ATOM 520 CD1 PHE A 37 -2.059 -0.965 -0.656 1.00 0.32 C ATOM 521 CD2 PHE A 37 -1.656 -0.211 1.572 1.00 0.27 C ATOM 522 CE1 PHE A 37 -1.343 0.108 -1.153 1.00 0.36 C ATOM 523 CE2 PHE A 37 -0.940 0.865 1.081 1.00 0.30 C ATOM 524 CZ PHE A 37 -0.778 1.028 -0.268 1.00 0.33 C ATOM 0 H PHE A 37 -4.895 -1.596 -0.959 1.00 0.22 H new ATOM 0 HA PHE A 37 -5.020 -2.967 1.604 1.00 0.23 H new ATOM 0 HB2 PHE A 37 -2.816 -2.398 2.315 1.00 0.25 H new ATOM 0 HB3 PHE A 37 -2.636 -3.220 0.778 1.00 0.25 H new ATOM 0 HD1 PHE A 37 -2.496 -1.678 -1.340 1.00 0.32 H new ATOM 0 HD2 PHE A 37 -1.775 -0.332 2.639 1.00 0.27 H new ATOM 0 HE1 PHE A 37 -1.222 0.234 -2.219 1.00 0.36 H new ATOM 0 HE2 PHE A 37 -0.507 1.580 1.765 1.00 0.30 H new ATOM 0 HZ PHE A 37 -0.214 1.867 -0.647 1.00 0.33 H new ATOM 533 N HIS A 38 -4.900 -0.565 2.761 1.00 0.21 N ATOM 534 CA HIS A 38 -5.339 0.705 3.325 1.00 0.24 C ATOM 535 C HIS A 38 -4.225 1.349 4.144 1.00 0.24 C ATOM 536 O HIS A 38 -3.302 0.671 4.596 1.00 0.40 O ATOM 537 CB HIS A 38 -6.578 0.499 4.197 1.00 0.28 C ATOM 538 CG HIS A 38 -7.721 -0.129 3.463 1.00 1.17 C ATOM 539 ND1 HIS A 38 -7.899 -1.493 3.375 1.00 2.13 N ATOM 540 CD2 HIS A 38 -8.749 0.428 2.780 1.00 1.98 C ATOM 541 CE1 HIS A 38 -8.984 -1.748 2.667 1.00 2.94 C ATOM 542 NE2 HIS A 38 -9.518 -0.600 2.295 1.00 2.82 N ATOM 0 H HIS A 38 -4.503 -1.213 3.442 1.00 0.21 H new ATOM 0 HA HIS A 38 -5.592 1.373 2.501 1.00 0.24 H new ATOM 0 HB2 HIS A 38 -6.314 -0.128 5.049 1.00 0.28 H new ATOM 0 HB3 HIS A 38 -6.897 1.462 4.596 1.00 0.28 H new ATOM 0 HD1 HIS A 38 -7.288 -2.196 3.792 1.00 2.13 H new ATOM 0 HD2 HIS A 38 -8.930 1.484 2.643 1.00 1.98 H new ATOM 0 HE1 HIS A 38 -9.369 -2.729 2.432 1.00 2.94 H new ATOM 550 N VAL A 39 -4.319 2.659 4.333 1.00 0.27 N ATOM 551 CA VAL A 39 -3.320 3.396 5.094 1.00 0.27 C ATOM 552 C VAL A 39 -3.743 3.557 6.552 1.00 0.28 C ATOM 553 O VAL A 39 -4.853 4.004 6.839 1.00 0.40 O ATOM 554 CB VAL A 39 -3.071 4.789 4.491 1.00 0.39 C ATOM 555 CG1 VAL A 39 -1.967 5.510 5.248 1.00 1.28 C ATOM 556 CG2 VAL A 39 -2.731 4.674 3.013 1.00 0.88 C ATOM 0 H VAL A 39 -5.079 3.234 3.969 1.00 0.27 H new ATOM 0 HA VAL A 39 -2.399 2.815 5.048 1.00 0.27 H new ATOM 0 HB VAL A 39 -3.984 5.377 4.586 1.00 0.39 H new ATOM 0 HG11 VAL A 39 -1.806 6.493 4.807 1.00 1.28 H new ATOM 0 HG12 VAL A 39 -2.257 5.624 6.293 1.00 1.28 H new ATOM 0 HG13 VAL A 39 -1.046 4.930 5.188 1.00 1.28 H new ATOM 0 HG21 VAL A 39 -2.558 5.668 2.601 1.00 0.88 H new ATOM 0 HG22 VAL A 39 -1.832 4.069 2.892 1.00 0.88 H new ATOM 0 HG23 VAL A 39 -3.559 4.202 2.485 1.00 0.88 H new ATOM 566 N VAL A 40 -2.849 3.192 7.464 1.00 0.24 N ATOM 567 CA VAL A 40 -3.131 3.299 8.891 1.00 0.34 C ATOM 568 C VAL A 40 -2.568 4.595 9.465 1.00 0.37 C ATOM 569 O VAL A 40 -3.193 5.233 10.312 1.00 0.54 O ATOM 570 CB VAL A 40 -2.544 2.106 9.667 1.00 0.41 C ATOM 571 CG1 VAL A 40 -2.869 2.219 11.149 1.00 0.54 C ATOM 572 CG2 VAL A 40 -3.060 0.793 9.097 1.00 0.43 C ATOM 0 H VAL A 40 -1.925 2.820 7.242 1.00 0.24 H new ATOM 0 HA VAL A 40 -4.215 3.297 9.004 1.00 0.34 H new ATOM 0 HB VAL A 40 -1.460 2.122 9.556 1.00 0.41 H new ATOM 0 HG11 VAL A 40 -2.446 1.367 11.680 1.00 0.54 H new ATOM 0 HG12 VAL A 40 -2.444 3.141 11.545 1.00 0.54 H new ATOM 0 HG13 VAL A 40 -3.950 2.230 11.284 1.00 0.54 H new ATOM 0 HG21 VAL A 40 -2.635 -0.039 9.658 1.00 0.43 H new ATOM 0 HG22 VAL A 40 -4.147 0.765 9.174 1.00 0.43 H new ATOM 0 HG23 VAL A 40 -2.769 0.711 8.050 1.00 0.43 H new ATOM 582 N ARG A 41 -1.385 4.979 8.997 1.00 0.27 N ATOM 583 CA ARG A 41 -0.738 6.200 9.463 1.00 0.31 C ATOM 584 C ARG A 41 0.590 6.423 8.746 1.00 0.31 C ATOM 585 O ARG A 41 1.475 5.566 8.778 1.00 0.40 O ATOM 586 CB ARG A 41 -0.515 6.141 10.975 1.00 0.40 C ATOM 587 CG ARG A 41 0.234 4.899 11.432 1.00 0.47 C ATOM 588 CD ARG A 41 0.457 4.906 12.936 1.00 0.57 C ATOM 589 NE ARG A 41 -0.801 5.006 13.673 1.00 1.37 N ATOM 590 CZ ARG A 41 -0.872 5.106 14.997 1.00 1.62 C ATOM 591 NH1 ARG A 41 0.237 5.117 15.724 1.00 0.94 N ATOM 592 NH2 ARG A 41 -2.053 5.196 15.595 1.00 2.80 N ATOM 0 H ARG A 41 -0.855 4.462 8.295 1.00 0.27 H new ATOM 0 HA ARG A 41 -1.396 7.038 9.234 1.00 0.31 H new ATOM 0 HB2 ARG A 41 0.041 7.025 11.287 1.00 0.40 H new ATOM 0 HB3 ARG A 41 -1.481 6.178 11.478 1.00 0.40 H new ATOM 0 HG2 ARG A 41 -0.329 4.009 11.151 1.00 0.47 H new ATOM 0 HG3 ARG A 41 1.195 4.843 10.921 1.00 0.47 H new ATOM 0 HD2 ARG A 41 0.978 3.995 13.230 1.00 0.57 H new ATOM 0 HD3 ARG A 41 1.102 5.743 13.203 1.00 0.57 H new ATOM 0 HE ARG A 41 -1.672 4.999 13.143 1.00 1.37 H new ATOM 0 HH11 ARG A 41 1.147 5.049 15.268 1.00 0.94 H new ATOM 0 HH12 ARG A 41 0.180 5.194 16.740 1.00 0.94 H new ATOM 0 HH21 ARG A 41 -2.908 5.189 15.039 1.00 2.80 H new ATOM 0 HH22 ARG A 41 -2.106 5.273 16.611 1.00 2.80 H new ATOM 603 N VAL A 42 0.722 7.578 8.102 1.00 0.33 N ATOM 604 CA VAL A 42 1.942 7.914 7.375 1.00 0.39 C ATOM 605 C VAL A 42 2.266 9.400 7.497 1.00 0.43 C ATOM 606 O VAL A 42 1.400 10.209 7.831 1.00 0.49 O ATOM 607 CB VAL A 42 1.822 7.548 5.884 1.00 0.52 C ATOM 608 CG1 VAL A 42 0.728 8.368 5.218 1.00 0.97 C ATOM 609 CG2 VAL A 42 3.152 7.745 5.171 1.00 1.20 C ATOM 0 H VAL A 42 -0.000 8.297 8.068 1.00 0.33 H new ATOM 0 HA VAL A 42 2.748 7.333 7.823 1.00 0.39 H new ATOM 0 HB VAL A 42 1.552 6.494 5.812 1.00 0.52 H new ATOM 0 HG11 VAL A 42 0.659 8.095 4.165 1.00 0.97 H new ATOM 0 HG12 VAL A 42 -0.225 8.169 5.708 1.00 0.97 H new ATOM 0 HG13 VAL A 42 0.965 9.428 5.303 1.00 0.97 H new ATOM 0 HG21 VAL A 42 3.044 7.480 4.119 1.00 1.20 H new ATOM 0 HG22 VAL A 42 3.458 8.788 5.253 1.00 1.20 H new ATOM 0 HG23 VAL A 42 3.908 7.108 5.629 1.00 1.20 H new ATOM 619 N ALA A 43 3.518 9.751 7.228 1.00 0.47 N ATOM 620 CA ALA A 43 3.961 11.138 7.305 1.00 0.55 C ATOM 621 C ALA A 43 4.600 11.582 5.991 1.00 0.69 C ATOM 622 O ALA A 43 5.125 10.761 5.239 1.00 0.81 O ATOM 623 CB ALA A 43 4.938 11.319 8.455 1.00 0.55 C ATOM 0 H ALA A 43 4.247 9.092 6.954 1.00 0.47 H new ATOM 0 HA ALA A 43 3.087 11.763 7.486 1.00 0.55 H new ATOM 0 HB1 ALA A 43 5.259 12.360 8.499 1.00 0.55 H new ATOM 0 HB2 ALA A 43 4.451 11.050 9.392 1.00 0.55 H new ATOM 0 HB3 ALA A 43 5.806 10.678 8.300 1.00 0.55 H new ATOM 629 N PRO A 44 4.564 12.894 5.699 1.00 0.83 N ATOM 630 CA PRO A 44 5.140 13.444 4.473 1.00 1.00 C ATOM 631 C PRO A 44 6.648 13.666 4.572 1.00 0.98 C ATOM 632 O PRO A 44 7.320 13.866 3.562 1.00 1.15 O ATOM 633 CB PRO A 44 4.411 14.776 4.327 1.00 1.14 C ATOM 634 CG PRO A 44 4.129 15.205 5.727 1.00 1.34 C ATOM 635 CD PRO A 44 3.951 13.943 6.536 1.00 1.00 C ATOM 0 HA PRO A 44 5.019 12.770 3.625 1.00 1.00 H new ATOM 0 HB2 PRO A 44 5.025 15.509 3.804 1.00 1.14 H new ATOM 0 HB3 PRO A 44 3.491 14.664 3.754 1.00 1.14 H new ATOM 0 HG2 PRO A 44 4.949 15.806 6.121 1.00 1.34 H new ATOM 0 HG3 PRO A 44 3.232 15.823 5.770 1.00 1.34 H new ATOM 0 HD2 PRO A 44 4.443 14.018 7.506 1.00 1.00 H new ATOM 0 HD3 PRO A 44 2.898 13.737 6.727 1.00 1.00 H new ATOM 640 N LEU A 45 7.177 13.630 5.793 1.00 0.85 N ATOM 641 CA LEU A 45 8.606 13.832 6.008 1.00 0.90 C ATOM 642 C LEU A 45 9.382 12.527 5.840 1.00 0.91 C ATOM 643 O LEU A 45 10.597 12.541 5.637 1.00 1.23 O ATOM 644 CB LEU A 45 8.863 14.423 7.398 1.00 0.90 C ATOM 645 CG LEU A 45 8.427 13.550 8.578 1.00 1.76 C ATOM 646 CD1 LEU A 45 9.434 12.437 8.828 1.00 2.51 C ATOM 647 CD2 LEU A 45 8.252 14.397 9.829 1.00 2.25 C ATOM 0 H LEU A 45 6.640 13.464 6.644 1.00 0.85 H new ATOM 0 HA LEU A 45 8.958 14.536 5.254 1.00 0.90 H new ATOM 0 HB2 LEU A 45 9.929 14.628 7.495 1.00 0.90 H new ATOM 0 HB3 LEU A 45 8.347 15.381 7.467 1.00 0.90 H new ATOM 0 HG LEU A 45 7.469 13.094 8.329 1.00 1.76 H new ATOM 0 HD11 LEU A 45 9.103 11.830 9.671 1.00 2.51 H new ATOM 0 HD12 LEU A 45 9.513 11.811 7.939 1.00 2.51 H new ATOM 0 HD13 LEU A 45 10.408 12.871 9.054 1.00 2.51 H new ATOM 0 HD21 LEU A 45 7.942 13.761 10.658 1.00 2.25 H new ATOM 0 HD22 LEU A 45 9.197 14.881 10.076 1.00 2.25 H new ATOM 0 HD23 LEU A 45 7.491 15.157 9.650 1.00 2.25 H new ATOM 658 N GLY A 46 8.681 11.402 5.924 1.00 0.72 N ATOM 659 CA GLY A 46 9.330 10.113 5.780 1.00 0.72 C ATOM 660 C GLY A 46 9.275 9.296 7.055 1.00 0.66 C ATOM 661 O GLY A 46 10.183 9.362 7.883 1.00 0.77 O ATOM 0 H GLY A 46 7.675 11.360 6.089 1.00 0.72 H new ATOM 0 HA2 GLY A 46 8.853 9.556 4.974 1.00 0.72 H new ATOM 0 HA3 GLY A 46 10.370 10.263 5.492 1.00 0.72 H new ATOM 665 N ASP A 47 8.206 8.524 7.210 1.00 0.53 N ATOM 666 CA ASP A 47 8.027 7.692 8.394 1.00 0.49 C ATOM 667 C ASP A 47 7.504 6.310 8.014 1.00 0.46 C ATOM 668 O ASP A 47 7.152 6.069 6.860 1.00 0.46 O ATOM 669 CB ASP A 47 7.063 8.376 9.369 1.00 0.45 C ATOM 670 CG ASP A 47 7.702 9.553 10.078 1.00 0.78 C ATOM 671 OD1 ASP A 47 8.336 9.340 11.132 1.00 1.07 O ATOM 672 OD2 ASP A 47 7.568 10.688 9.577 1.00 0.94 O ATOM 0 H ASP A 47 7.449 8.457 6.530 1.00 0.53 H new ATOM 0 HA ASP A 47 8.995 7.565 8.878 1.00 0.49 H new ATOM 0 HB2 ASP A 47 6.181 8.717 8.826 1.00 0.45 H new ATOM 0 HB3 ASP A 47 6.722 7.651 10.108 1.00 0.45 H new ATOM 676 N PRO A 48 7.449 5.382 8.985 1.00 0.47 N ATOM 677 CA PRO A 48 6.966 4.027 8.756 1.00 0.47 C ATOM 678 C PRO A 48 5.450 3.946 8.852 1.00 0.37 C ATOM 679 O PRO A 48 4.865 4.188 9.908 1.00 0.38 O ATOM 680 CB PRO A 48 7.617 3.210 9.885 1.00 0.56 C ATOM 681 CG PRO A 48 8.383 4.188 10.728 1.00 0.61 C ATOM 682 CD PRO A 48 7.880 5.558 10.372 1.00 0.53 C ATOM 0 HA PRO A 48 7.219 3.666 7.759 1.00 0.47 H new ATOM 0 HB2 PRO A 48 6.861 2.695 10.478 1.00 0.56 H new ATOM 0 HB3 PRO A 48 8.279 2.445 9.479 1.00 0.56 H new ATOM 0 HG2 PRO A 48 8.233 3.985 11.788 1.00 0.61 H new ATOM 0 HG3 PRO A 48 9.453 4.108 10.537 1.00 0.61 H new ATOM 0 HD2 PRO A 48 7.058 5.870 11.017 1.00 0.53 H new ATOM 0 HD3 PRO A 48 8.660 6.314 10.462 1.00 0.53 H new ATOM 687 N VAL A 49 4.820 3.608 7.733 1.00 0.32 N ATOM 688 CA VAL A 49 3.370 3.500 7.666 1.00 0.26 C ATOM 689 C VAL A 49 2.932 2.039 7.601 1.00 0.28 C ATOM 690 O VAL A 49 3.537 1.227 6.903 1.00 0.39 O ATOM 691 CB VAL A 49 2.824 4.271 6.440 1.00 0.27 C ATOM 692 CG1 VAL A 49 3.618 3.913 5.194 1.00 0.35 C ATOM 693 CG2 VAL A 49 1.337 4.008 6.232 1.00 0.31 C ATOM 0 H VAL A 49 5.296 3.403 6.854 1.00 0.32 H new ATOM 0 HA VAL A 49 2.960 3.943 8.574 1.00 0.26 H new ATOM 0 HB VAL A 49 2.942 5.337 6.633 1.00 0.27 H new ATOM 0 HG11 VAL A 49 3.222 4.463 4.340 1.00 0.35 H new ATOM 0 HG12 VAL A 49 4.665 4.176 5.342 1.00 0.35 H new ATOM 0 HG13 VAL A 49 3.536 2.843 5.006 1.00 0.35 H new ATOM 0 HG21 VAL A 49 0.987 4.565 5.363 1.00 0.31 H new ATOM 0 HG22 VAL A 49 1.175 2.942 6.069 1.00 0.31 H new ATOM 0 HG23 VAL A 49 0.784 4.328 7.115 1.00 0.31 H new ATOM 703 N HIS A 50 1.874 1.716 8.339 1.00 0.29 N ATOM 704 CA HIS A 50 1.348 0.358 8.372 1.00 0.31 C ATOM 705 C HIS A 50 0.194 0.198 7.388 1.00 0.29 C ATOM 706 O HIS A 50 -0.684 1.058 7.299 1.00 0.31 O ATOM 707 CB HIS A 50 0.879 0.002 9.785 1.00 0.34 C ATOM 708 CG HIS A 50 1.991 -0.064 10.786 1.00 0.37 C ATOM 709 ND1 HIS A 50 2.493 -1.252 11.277 1.00 1.13 N ATOM 710 CD2 HIS A 50 2.698 0.919 11.393 1.00 1.08 C ATOM 711 CE1 HIS A 50 3.459 -0.996 12.143 1.00 0.85 C ATOM 712 NE2 HIS A 50 3.601 0.314 12.229 1.00 0.68 N ATOM 0 H HIS A 50 1.364 2.379 8.923 1.00 0.29 H new ATOM 0 HA HIS A 50 2.149 -0.321 8.081 1.00 0.31 H new ATOM 0 HB2 HIS A 50 0.149 0.741 10.114 1.00 0.34 H new ATOM 0 HB3 HIS A 50 0.368 -0.960 9.758 1.00 0.34 H new ATOM 0 HD2 HIS A 50 2.574 1.982 11.246 1.00 1.08 H new ATOM 0 HE1 HIS A 50 4.033 -1.732 12.686 1.00 0.85 H new ATOM 0 HE2 HIS A 50 4.275 0.798 12.822 1.00 0.68 H new ATOM 720 N ILE A 51 0.202 -0.907 6.650 1.00 0.32 N ATOM 721 CA ILE A 51 -0.844 -1.183 5.673 1.00 0.32 C ATOM 722 C ILE A 51 -1.861 -2.174 6.228 1.00 0.32 C ATOM 723 O ILE A 51 -1.492 -3.188 6.820 1.00 0.31 O ATOM 724 CB ILE A 51 -0.256 -1.748 4.366 1.00 0.34 C ATOM 725 CG1 ILE A 51 0.517 -3.040 4.642 1.00 0.34 C ATOM 726 CG2 ILE A 51 0.643 -0.717 3.701 1.00 0.36 C ATOM 727 CD1 ILE A 51 1.079 -3.685 3.395 1.00 0.36 C ATOM 0 H ILE A 51 0.922 -1.627 6.710 1.00 0.32 H new ATOM 0 HA ILE A 51 -1.339 -0.235 5.460 1.00 0.32 H new ATOM 0 HB ILE A 51 -1.077 -1.978 3.687 1.00 0.34 H new ATOM 0 HG12 ILE A 51 1.334 -2.825 5.330 1.00 0.34 H new ATOM 0 HG13 ILE A 51 -0.143 -3.749 5.142 1.00 0.34 H new ATOM 0 HG21 ILE A 51 1.051 -1.131 2.779 1.00 0.36 H new ATOM 0 HG22 ILE A 51 0.064 0.177 3.472 1.00 0.36 H new ATOM 0 HG23 ILE A 51 1.460 -0.458 4.375 1.00 0.36 H new ATOM 0 HD11 ILE A 51 1.614 -4.595 3.666 1.00 0.36 H new ATOM 0 HD12 ILE A 51 0.264 -3.932 2.714 1.00 0.36 H new ATOM 0 HD13 ILE A 51 1.764 -2.993 2.905 1.00 0.36 H new ATOM 738 N GLU A 52 -3.141 -1.876 6.034 1.00 0.36 N ATOM 739 CA GLU A 52 -4.207 -2.746 6.518 1.00 0.39 C ATOM 740 C GLU A 52 -4.923 -3.430 5.359 1.00 0.42 C ATOM 741 O GLU A 52 -5.481 -2.769 4.484 1.00 0.43 O ATOM 742 CB GLU A 52 -5.213 -1.946 7.348 1.00 0.45 C ATOM 743 CG GLU A 52 -6.305 -2.806 7.967 1.00 1.01 C ATOM 744 CD GLU A 52 -7.334 -1.987 8.721 1.00 1.46 C ATOM 745 OE1 GLU A 52 -7.079 -1.648 9.895 1.00 2.13 O ATOM 746 OE2 GLU A 52 -8.395 -1.686 8.137 1.00 1.91 O ATOM 0 H GLU A 52 -3.465 -1.041 5.546 1.00 0.36 H new ATOM 0 HA GLU A 52 -3.754 -3.513 7.146 1.00 0.39 H new ATOM 0 HB2 GLU A 52 -4.682 -1.420 8.141 1.00 0.45 H new ATOM 0 HB3 GLU A 52 -5.673 -1.187 6.715 1.00 0.45 H new ATOM 0 HG2 GLU A 52 -6.803 -3.375 7.182 1.00 1.01 H new ATOM 0 HG3 GLU A 52 -5.852 -3.528 8.646 1.00 1.01 H new ATOM 751 N THR A 53 -4.899 -4.759 5.361 1.00 0.52 N ATOM 752 CA THR A 53 -5.552 -5.537 4.316 1.00 0.58 C ATOM 753 C THR A 53 -6.545 -6.524 4.921 1.00 0.61 C ATOM 754 O THR A 53 -6.793 -6.502 6.126 1.00 0.60 O ATOM 755 CB THR A 53 -4.527 -6.304 3.457 1.00 0.59 C ATOM 756 OG1 THR A 53 -3.802 -7.234 4.270 1.00 0.55 O ATOM 757 CG2 THR A 53 -3.555 -5.341 2.791 1.00 0.64 C ATOM 0 H THR A 53 -4.434 -5.319 6.075 1.00 0.52 H new ATOM 0 HA THR A 53 -6.084 -4.834 3.675 1.00 0.58 H new ATOM 0 HB THR A 53 -5.068 -6.847 2.682 1.00 0.59 H new ATOM 0 HG1 THR A 53 -3.568 -6.810 5.122 1.00 0.55 H new ATOM 0 HG21 THR A 53 -2.840 -5.903 2.190 1.00 0.64 H new ATOM 0 HG22 THR A 53 -4.106 -4.653 2.150 1.00 0.64 H new ATOM 0 HG23 THR A 53 -3.021 -4.776 3.555 1.00 0.64 H new ATOM 765 N ARG A 54 -7.112 -7.384 4.083 1.00 0.68 N ATOM 766 CA ARG A 54 -8.082 -8.371 4.545 1.00 0.73 C ATOM 767 C ARG A 54 -7.563 -9.132 5.761 1.00 0.67 C ATOM 768 O ARG A 54 -6.878 -10.145 5.630 1.00 0.69 O ATOM 769 CB ARG A 54 -8.423 -9.351 3.421 1.00 0.84 C ATOM 770 CG ARG A 54 -9.074 -8.691 2.218 1.00 1.47 C ATOM 771 CD ARG A 54 -10.358 -7.974 2.604 1.00 1.53 C ATOM 772 NE ARG A 54 -11.326 -8.875 3.219 1.00 2.10 N ATOM 773 CZ ARG A 54 -12.545 -8.505 3.594 1.00 2.32 C ATOM 774 NH1 ARG A 54 -12.949 -7.254 3.412 1.00 1.97 N ATOM 775 NH2 ARG A 54 -13.364 -9.387 4.152 1.00 3.04 N ATOM 0 H ARG A 54 -6.918 -7.418 3.082 1.00 0.68 H new ATOM 0 HA ARG A 54 -8.985 -7.836 4.839 1.00 0.73 H new ATOM 0 HB2 ARG A 54 -7.511 -9.855 3.100 1.00 0.84 H new ATOM 0 HB3 ARG A 54 -9.091 -10.119 3.810 1.00 0.84 H new ATOM 0 HG2 ARG A 54 -8.379 -7.980 1.771 1.00 1.47 H new ATOM 0 HG3 ARG A 54 -9.290 -9.445 1.461 1.00 1.47 H new ATOM 0 HD2 ARG A 54 -10.127 -7.164 3.296 1.00 1.53 H new ATOM 0 HD3 ARG A 54 -10.799 -7.519 1.717 1.00 1.53 H new ATOM 0 HE ARG A 54 -11.051 -9.846 3.370 1.00 2.10 H new ATOM 0 HH11 ARG A 54 -12.322 -6.573 2.983 1.00 1.97 H new ATOM 0 HH12 ARG A 54 -13.886 -6.973 3.701 1.00 1.97 H new ATOM 0 HH21 ARG A 54 -13.057 -10.350 4.293 1.00 3.04 H new ATOM 0 HH22 ARG A 54 -14.300 -9.103 4.440 1.00 3.04 H new ATOM 786 N ARG A 55 -7.893 -8.626 6.944 1.00 0.66 N ATOM 787 CA ARG A 55 -7.482 -9.252 8.193 1.00 0.66 C ATOM 788 C ARG A 55 -5.972 -9.483 8.233 1.00 0.62 C ATOM 789 O ARG A 55 -5.510 -10.521 8.706 1.00 0.70 O ATOM 790 CB ARG A 55 -8.218 -10.579 8.379 1.00 0.73 C ATOM 791 CG ARG A 55 -9.731 -10.438 8.362 1.00 1.06 C ATOM 792 CD ARG A 55 -10.213 -9.464 9.427 1.00 1.67 C ATOM 793 NE ARG A 55 -11.652 -9.231 9.343 1.00 2.43 N ATOM 794 CZ ARG A 55 -12.263 -8.191 9.903 1.00 3.17 C ATOM 795 NH1 ARG A 55 -11.561 -7.294 10.583 1.00 3.34 N ATOM 796 NH2 ARG A 55 -13.576 -8.048 9.784 1.00 4.11 N ATOM 0 H ARG A 55 -8.448 -7.778 7.063 1.00 0.66 H new ATOM 0 HA ARG A 55 -7.740 -8.575 9.008 1.00 0.66 H new ATOM 0 HB2 ARG A 55 -7.916 -11.267 7.590 1.00 0.73 H new ATOM 0 HB3 ARG A 55 -7.913 -11.026 9.325 1.00 0.73 H new ATOM 0 HG2 ARG A 55 -10.054 -10.094 7.380 1.00 1.06 H new ATOM 0 HG3 ARG A 55 -10.190 -11.413 8.525 1.00 1.06 H new ATOM 0 HD2 ARG A 55 -9.966 -9.855 10.414 1.00 1.67 H new ATOM 0 HD3 ARG A 55 -9.685 -8.517 9.318 1.00 1.67 H new ATOM 0 HE ARG A 55 -12.220 -9.903 8.826 1.00 2.43 H new ATOM 0 HH11 ARG A 55 -10.551 -7.401 10.677 1.00 3.34 H new ATOM 0 HH12 ARG A 55 -12.031 -6.497 11.012 1.00 3.34 H new ATOM 0 HH21 ARG A 55 -14.119 -8.736 9.262 1.00 4.11 H new ATOM 0 HH22 ARG A 55 -14.043 -7.250 10.214 1.00 4.11 H new ATOM 807 N VAL A 56 -5.208 -8.508 7.749 1.00 0.58 N ATOM 808 CA VAL A 56 -3.755 -8.617 7.741 1.00 0.57 C ATOM 809 C VAL A 56 -3.103 -7.239 7.677 1.00 0.49 C ATOM 810 O VAL A 56 -3.091 -6.595 6.628 1.00 0.50 O ATOM 811 CB VAL A 56 -3.259 -9.467 6.554 1.00 0.66 C ATOM 812 CG1 VAL A 56 -1.741 -9.561 6.558 1.00 1.02 C ATOM 813 CG2 VAL A 56 -3.881 -10.855 6.593 1.00 1.23 C ATOM 0 H VAL A 56 -5.570 -7.638 7.359 1.00 0.58 H new ATOM 0 HA VAL A 56 -3.469 -9.109 8.671 1.00 0.57 H new ATOM 0 HB VAL A 56 -3.569 -8.978 5.630 1.00 0.66 H new ATOM 0 HG11 VAL A 56 -1.412 -10.165 5.713 1.00 1.02 H new ATOM 0 HG12 VAL A 56 -1.314 -8.561 6.478 1.00 1.02 H new ATOM 0 HG13 VAL A 56 -1.408 -10.024 7.487 1.00 1.02 H new ATOM 0 HG21 VAL A 56 -3.519 -11.440 5.747 1.00 1.23 H new ATOM 0 HG22 VAL A 56 -3.604 -11.352 7.523 1.00 1.23 H new ATOM 0 HG23 VAL A 56 -4.966 -10.769 6.537 1.00 1.23 H new ATOM 823 N SER A 57 -2.558 -6.789 8.803 1.00 0.48 N ATOM 824 CA SER A 57 -1.904 -5.489 8.862 1.00 0.43 C ATOM 825 C SER A 57 -0.387 -5.644 8.893 1.00 0.42 C ATOM 826 O SER A 57 0.185 -6.060 9.901 1.00 0.46 O ATOM 827 CB SER A 57 -2.375 -4.712 10.093 1.00 0.51 C ATOM 828 OG SER A 57 -1.746 -3.443 10.166 1.00 0.64 O ATOM 0 H SER A 57 -2.557 -7.304 9.683 1.00 0.48 H new ATOM 0 HA SER A 57 -2.176 -4.933 7.965 1.00 0.43 H new ATOM 0 HB2 SER A 57 -3.457 -4.584 10.054 1.00 0.51 H new ATOM 0 HB3 SER A 57 -2.154 -5.284 10.994 1.00 0.51 H new ATOM 0 HG SER A 57 -2.065 -2.965 10.960 1.00 0.64 H new ATOM 833 N LEU A 58 0.257 -5.308 7.780 1.00 0.38 N ATOM 834 CA LEU A 58 1.710 -5.405 7.678 1.00 0.40 C ATOM 835 C LEU A 58 2.355 -4.033 7.858 1.00 0.37 C ATOM 836 O LEU A 58 1.699 -3.005 7.695 1.00 0.38 O ATOM 837 CB LEU A 58 2.110 -5.996 6.326 1.00 0.43 C ATOM 838 CG LEU A 58 3.612 -6.215 6.131 1.00 0.96 C ATOM 839 CD1 LEU A 58 4.137 -7.231 7.134 1.00 1.50 C ATOM 840 CD2 LEU A 58 3.906 -6.667 4.709 1.00 1.54 C ATOM 0 H LEU A 58 -0.203 -4.966 6.936 1.00 0.38 H new ATOM 0 HA LEU A 58 2.064 -6.064 8.471 1.00 0.40 H new ATOM 0 HB2 LEU A 58 1.600 -6.951 6.199 1.00 0.43 H new ATOM 0 HB3 LEU A 58 1.750 -5.335 5.537 1.00 0.43 H new ATOM 0 HG LEU A 58 4.123 -5.267 6.302 1.00 0.96 H new ATOM 0 HD11 LEU A 58 5.207 -7.374 6.981 1.00 1.50 H new ATOM 0 HD12 LEU A 58 3.961 -6.867 8.146 1.00 1.50 H new ATOM 0 HD13 LEU A 58 3.620 -8.180 6.995 1.00 1.50 H new ATOM 0 HD21 LEU A 58 4.979 -6.818 4.590 1.00 1.54 H new ATOM 0 HD22 LEU A 58 3.384 -7.603 4.509 1.00 1.54 H new ATOM 0 HD23 LEU A 58 3.566 -5.905 4.007 1.00 1.54 H new ATOM 851 N VAL A 59 3.641 -4.023 8.192 1.00 0.41 N ATOM 852 CA VAL A 59 4.364 -2.773 8.391 1.00 0.40 C ATOM 853 C VAL A 59 5.124 -2.370 7.134 1.00 0.40 C ATOM 854 O VAL A 59 5.660 -3.219 6.421 1.00 0.47 O ATOM 855 CB VAL A 59 5.356 -2.873 9.566 1.00 0.45 C ATOM 856 CG1 VAL A 59 6.401 -3.945 9.294 1.00 0.50 C ATOM 857 CG2 VAL A 59 6.017 -1.526 9.820 1.00 0.45 C ATOM 0 H VAL A 59 4.202 -4.863 8.330 1.00 0.41 H new ATOM 0 HA VAL A 59 3.617 -2.013 8.621 1.00 0.40 H new ATOM 0 HB VAL A 59 4.804 -3.157 10.462 1.00 0.45 H new ATOM 0 HG11 VAL A 59 7.092 -4.001 10.135 1.00 0.50 H new ATOM 0 HG12 VAL A 59 5.908 -4.909 9.165 1.00 0.50 H new ATOM 0 HG13 VAL A 59 6.952 -3.695 8.387 1.00 0.50 H new ATOM 0 HG21 VAL A 59 6.715 -1.614 10.653 1.00 0.45 H new ATOM 0 HG22 VAL A 59 6.557 -1.211 8.927 1.00 0.45 H new ATOM 0 HG23 VAL A 59 5.254 -0.786 10.063 1.00 0.45 H new ATOM 867 N LEU A 60 5.165 -1.069 6.866 1.00 0.39 N ATOM 868 CA LEU A 60 5.862 -0.551 5.693 1.00 0.40 C ATOM 869 C LEU A 60 6.659 0.702 6.045 1.00 0.38 C ATOM 870 O LEU A 60 6.210 1.534 6.832 1.00 0.48 O ATOM 871 CB LEU A 60 4.861 -0.239 4.578 1.00 0.45 C ATOM 872 CG LEU A 60 5.481 0.261 3.272 1.00 0.61 C ATOM 873 CD1 LEU A 60 6.412 -0.789 2.686 1.00 0.77 C ATOM 874 CD2 LEU A 60 4.393 0.630 2.274 1.00 0.97 C ATOM 0 H LEU A 60 4.724 -0.354 7.445 1.00 0.39 H new ATOM 0 HA LEU A 60 6.557 -1.315 5.344 1.00 0.40 H new ATOM 0 HB2 LEU A 60 4.283 -1.139 4.367 1.00 0.45 H new ATOM 0 HB3 LEU A 60 4.159 0.512 4.940 1.00 0.45 H new ATOM 0 HG LEU A 60 6.067 1.154 3.488 1.00 0.61 H new ATOM 0 HD11 LEU A 60 6.843 -0.415 1.757 1.00 0.77 H new ATOM 0 HD12 LEU A 60 7.210 -1.004 3.396 1.00 0.77 H new ATOM 0 HD13 LEU A 60 5.850 -1.701 2.484 1.00 0.77 H new ATOM 0 HD21 LEU A 60 4.851 0.984 1.350 1.00 0.97 H new ATOM 0 HD22 LEU A 60 3.781 -0.247 2.063 1.00 0.97 H new ATOM 0 HD23 LEU A 60 3.767 1.418 2.693 1.00 0.97 H new ATOM 885 N ARG A 61 7.841 0.828 5.453 1.00 0.51 N ATOM 886 CA ARG A 61 8.702 1.975 5.699 1.00 0.58 C ATOM 887 C ARG A 61 8.868 2.803 4.431 1.00 0.54 C ATOM 888 O ARG A 61 8.321 2.461 3.382 1.00 0.59 O ATOM 889 CB ARG A 61 10.061 1.510 6.222 1.00 0.69 C ATOM 890 CG ARG A 61 10.713 0.440 5.363 1.00 1.34 C ATOM 891 CD ARG A 61 11.944 -0.141 6.041 1.00 1.51 C ATOM 892 NE ARG A 61 12.545 -1.218 5.259 1.00 2.06 N ATOM 893 CZ ARG A 61 13.522 -2.000 5.713 1.00 2.47 C ATOM 894 NH1 ARG A 61 14.005 -1.818 6.934 1.00 2.45 N ATOM 895 NH2 ARG A 61 14.020 -2.959 4.943 1.00 3.32 N ATOM 0 H ARG A 61 8.224 0.147 4.798 1.00 0.51 H new ATOM 0 HA ARG A 61 8.235 2.605 6.456 1.00 0.58 H new ATOM 0 HB2 ARG A 61 10.729 2.369 6.286 1.00 0.69 H new ATOM 0 HB3 ARG A 61 9.938 1.126 7.235 1.00 0.69 H new ATOM 0 HG2 ARG A 61 9.996 -0.356 5.164 1.00 1.34 H new ATOM 0 HG3 ARG A 61 10.993 0.865 4.399 1.00 1.34 H new ATOM 0 HD2 ARG A 61 12.679 0.649 6.195 1.00 1.51 H new ATOM 0 HD3 ARG A 61 11.671 -0.518 7.026 1.00 1.51 H new ATOM 0 HE ARG A 61 12.197 -1.380 4.314 1.00 2.06 H new ATOM 0 HH11 ARG A 61 13.628 -1.078 7.527 1.00 2.45 H new ATOM 0 HH12 ARG A 61 14.754 -2.418 7.281 1.00 2.45 H new ATOM 0 HH21 ARG A 61 13.654 -3.098 4.001 1.00 3.32 H new ATOM 0 HH22 ARG A 61 14.769 -3.557 5.293 1.00 3.32 H new ATOM 906 N LYS A 62 9.626 3.889 4.527 1.00 0.69 N ATOM 907 CA LYS A 62 9.839 4.765 3.382 1.00 0.74 C ATOM 908 C LYS A 62 10.819 4.155 2.386 1.00 0.68 C ATOM 909 O LYS A 62 10.549 4.115 1.186 1.00 0.76 O ATOM 910 CB LYS A 62 10.343 6.134 3.844 1.00 0.92 C ATOM 911 CG LYS A 62 10.530 7.130 2.712 1.00 1.88 C ATOM 912 CD LYS A 62 9.260 7.925 2.436 1.00 2.95 C ATOM 913 CE LYS A 62 8.081 7.017 2.123 1.00 3.60 C ATOM 914 NZ LYS A 62 6.900 7.787 1.644 1.00 4.70 N ATOM 0 H LYS A 62 10.101 4.183 5.381 1.00 0.69 H new ATOM 0 HA LYS A 62 8.880 4.889 2.878 1.00 0.74 H new ATOM 0 HB2 LYS A 62 9.638 6.546 4.566 1.00 0.92 H new ATOM 0 HB3 LYS A 62 11.293 6.005 4.363 1.00 0.92 H new ATOM 0 HG2 LYS A 62 11.340 7.815 2.962 1.00 1.88 H new ATOM 0 HG3 LYS A 62 10.829 6.600 1.808 1.00 1.88 H new ATOM 0 HD2 LYS A 62 9.023 8.543 3.302 1.00 2.95 H new ATOM 0 HD3 LYS A 62 9.430 8.602 1.599 1.00 2.95 H new ATOM 0 HE2 LYS A 62 8.373 6.291 1.364 1.00 3.60 H new ATOM 0 HE3 LYS A 62 7.809 6.454 3.016 1.00 3.60 H new ATOM 0 HZ1 LYS A 62 6.194 7.132 1.251 1.00 4.70 H new ATOM 0 HZ2 LYS A 62 6.481 8.311 2.439 1.00 4.70 H new ATOM 0 HZ3 LYS A 62 7.198 8.457 0.907 1.00 4.70 H new ATOM 924 N LYS A 63 11.955 3.683 2.883 1.00 0.64 N ATOM 925 CA LYS A 63 12.967 3.080 2.023 1.00 0.71 C ATOM 926 C LYS A 63 12.347 2.004 1.140 1.00 0.63 C ATOM 927 O LYS A 63 12.756 1.813 -0.005 1.00 0.73 O ATOM 928 CB LYS A 63 14.097 2.486 2.863 1.00 0.88 C ATOM 929 CG LYS A 63 13.629 1.461 3.881 1.00 0.88 C ATOM 930 CD LYS A 63 14.796 0.904 4.677 1.00 1.10 C ATOM 931 CE LYS A 63 15.768 0.149 3.787 1.00 1.67 C ATOM 932 NZ LYS A 63 16.951 -0.341 4.547 1.00 2.28 N ATOM 0 H LYS A 63 12.199 3.705 3.873 1.00 0.64 H new ATOM 0 HA LYS A 63 13.380 3.859 1.383 1.00 0.71 H new ATOM 0 HB2 LYS A 63 14.824 2.019 2.199 1.00 0.88 H new ATOM 0 HB3 LYS A 63 14.613 3.293 3.384 1.00 0.88 H new ATOM 0 HG2 LYS A 63 12.910 1.920 4.559 1.00 0.88 H new ATOM 0 HG3 LYS A 63 13.112 0.648 3.371 1.00 0.88 H new ATOM 0 HD2 LYS A 63 15.318 1.719 5.178 1.00 1.10 H new ATOM 0 HD3 LYS A 63 14.422 0.239 5.455 1.00 1.10 H new ATOM 0 HE2 LYS A 63 15.257 -0.696 3.326 1.00 1.67 H new ATOM 0 HE3 LYS A 63 16.100 0.800 2.978 1.00 1.67 H new ATOM 0 HZ1 LYS A 63 17.590 -0.851 3.904 1.00 2.28 H new ATOM 0 HZ2 LYS A 63 17.454 0.467 4.966 1.00 2.28 H new ATOM 0 HZ3 LYS A 63 16.637 -0.982 5.303 1.00 2.28 H new ATOM 942 N ASP A 64 11.358 1.304 1.683 1.00 0.54 N ATOM 943 CA ASP A 64 10.671 0.254 0.944 1.00 0.54 C ATOM 944 C ASP A 64 9.592 0.853 0.046 1.00 0.46 C ATOM 945 O ASP A 64 9.222 0.268 -0.970 1.00 0.56 O ATOM 946 CB ASP A 64 10.049 -0.760 1.906 1.00 0.56 C ATOM 947 CG ASP A 64 9.420 -1.933 1.181 1.00 1.38 C ATOM 948 OD1 ASP A 64 8.225 -1.844 0.832 1.00 2.30 O ATOM 949 OD2 ASP A 64 10.124 -2.942 0.962 1.00 1.49 O ATOM 0 H ASP A 64 11.014 1.445 2.633 1.00 0.54 H new ATOM 0 HA ASP A 64 11.402 -0.260 0.320 1.00 0.54 H new ATOM 0 HB2 ASP A 64 10.816 -1.127 2.589 1.00 0.56 H new ATOM 0 HB3 ASP A 64 9.292 -0.264 2.514 1.00 0.56 H new ATOM 953 N LEU A 65 9.095 2.028 0.432 1.00 0.39 N ATOM 954 CA LEU A 65 8.061 2.714 -0.330 1.00 0.41 C ATOM 955 C LEU A 65 8.639 3.344 -1.594 1.00 0.45 C ATOM 956 O LEU A 65 7.928 3.554 -2.576 1.00 0.52 O ATOM 957 CB LEU A 65 7.414 3.795 0.536 1.00 0.51 C ATOM 958 CG LEU A 65 6.296 3.312 1.462 1.00 0.49 C ATOM 959 CD1 LEU A 65 6.149 4.247 2.651 1.00 0.67 C ATOM 960 CD2 LEU A 65 4.981 3.213 0.702 1.00 0.70 C ATOM 0 H LEU A 65 9.396 2.523 1.272 1.00 0.39 H new ATOM 0 HA LEU A 65 7.310 1.982 -0.625 1.00 0.41 H new ATOM 0 HB2 LEU A 65 8.189 4.262 1.143 1.00 0.51 H new ATOM 0 HB3 LEU A 65 7.012 4.569 -0.118 1.00 0.51 H new ATOM 0 HG LEU A 65 6.559 2.321 1.831 1.00 0.49 H new ATOM 0 HD11 LEU A 65 5.349 3.888 3.299 1.00 0.67 H new ATOM 0 HD12 LEU A 65 7.084 4.275 3.210 1.00 0.67 H new ATOM 0 HD13 LEU A 65 5.908 5.250 2.298 1.00 0.67 H new ATOM 0 HD21 LEU A 65 4.197 2.868 1.376 1.00 0.70 H new ATOM 0 HD22 LEU A 65 4.715 4.193 0.307 1.00 0.70 H new ATOM 0 HD23 LEU A 65 5.089 2.507 -0.121 1.00 0.70 H new ATOM 971 N ALA A 66 9.932 3.646 -1.562 1.00 0.46 N ATOM 972 CA ALA A 66 10.609 4.256 -2.701 1.00 0.52 C ATOM 973 C ALA A 66 10.833 3.240 -3.815 1.00 0.50 C ATOM 974 O ALA A 66 10.918 3.602 -4.990 1.00 0.66 O ATOM 975 CB ALA A 66 11.934 4.863 -2.264 1.00 0.60 C ATOM 0 H ALA A 66 10.535 3.478 -0.756 1.00 0.46 H new ATOM 0 HA ALA A 66 9.969 5.048 -3.090 1.00 0.52 H new ATOM 0 HB1 ALA A 66 12.429 5.315 -3.124 1.00 0.60 H new ATOM 0 HB2 ALA A 66 11.753 5.626 -1.507 1.00 0.60 H new ATOM 0 HB3 ALA A 66 12.571 4.083 -1.847 1.00 0.60 H new ATOM 981 N LEU A 67 10.928 1.970 -3.441 1.00 0.37 N ATOM 982 CA LEU A 67 11.147 0.899 -4.407 1.00 0.35 C ATOM 983 C LEU A 67 9.828 0.433 -5.014 1.00 0.31 C ATOM 984 O LEU A 67 9.659 0.439 -6.235 1.00 0.30 O ATOM 985 CB LEU A 67 11.860 -0.278 -3.740 1.00 0.38 C ATOM 986 CG LEU A 67 13.300 -0.002 -3.304 1.00 0.43 C ATOM 987 CD1 LEU A 67 13.839 -1.165 -2.486 1.00 0.48 C ATOM 988 CD2 LEU A 67 14.184 0.249 -4.517 1.00 0.47 C ATOM 0 H LEU A 67 10.857 1.655 -2.473 1.00 0.37 H new ATOM 0 HA LEU A 67 11.775 1.289 -5.208 1.00 0.35 H new ATOM 0 HB2 LEU A 67 11.284 -0.583 -2.866 1.00 0.38 H new ATOM 0 HB3 LEU A 67 11.861 -1.121 -4.431 1.00 0.38 H new ATOM 0 HG LEU A 67 13.307 0.892 -2.681 1.00 0.43 H new ATOM 0 HD11 LEU A 67 14.864 -0.953 -2.184 1.00 0.48 H new ATOM 0 HD12 LEU A 67 13.221 -1.304 -1.599 1.00 0.48 H new ATOM 0 HD13 LEU A 67 13.819 -2.073 -3.088 1.00 0.48 H new ATOM 0 HD21 LEU A 67 15.205 0.444 -4.189 1.00 0.47 H new ATOM 0 HD22 LEU A 67 14.172 -0.628 -5.164 1.00 0.47 H new ATOM 0 HD23 LEU A 67 13.809 1.112 -5.068 1.00 0.47 H new ATOM 999 N ILE A 68 8.896 0.032 -4.158 1.00 0.31 N ATOM 1000 CA ILE A 68 7.594 -0.442 -4.612 1.00 0.30 C ATOM 1001 C ILE A 68 6.796 0.678 -5.270 1.00 0.30 C ATOM 1002 O ILE A 68 7.023 1.857 -4.999 1.00 0.37 O ATOM 1003 CB ILE A 68 6.768 -1.026 -3.449 1.00 0.34 C ATOM 1004 CG1 ILE A 68 6.446 0.067 -2.427 1.00 0.38 C ATOM 1005 CG2 ILE A 68 7.516 -2.173 -2.789 1.00 0.38 C ATOM 1006 CD1 ILE A 68 5.698 -0.439 -1.215 1.00 0.43 C ATOM 0 H ILE A 68 9.017 0.026 -3.145 1.00 0.31 H new ATOM 0 HA ILE A 68 7.786 -1.227 -5.343 1.00 0.30 H new ATOM 0 HB ILE A 68 5.831 -1.414 -3.847 1.00 0.34 H new ATOM 0 HG12 ILE A 68 7.376 0.533 -2.101 1.00 0.38 H new ATOM 0 HG13 ILE A 68 5.853 0.843 -2.912 1.00 0.38 H new ATOM 0 HG21 ILE A 68 6.919 -2.574 -1.970 1.00 0.38 H new ATOM 0 HG22 ILE A 68 7.699 -2.958 -3.523 1.00 0.38 H new ATOM 0 HG23 ILE A 68 8.468 -1.811 -2.400 1.00 0.38 H new ATOM 0 HD11 ILE A 68 5.504 0.390 -0.535 1.00 0.43 H new ATOM 0 HD12 ILE A 68 4.752 -0.879 -1.529 1.00 0.43 H new ATOM 0 HD13 ILE A 68 6.298 -1.193 -0.706 1.00 0.43 H new ATOM 1017 N GLU A 69 5.860 0.300 -6.135 1.00 0.29 N ATOM 1018 CA GLU A 69 5.025 1.270 -6.832 1.00 0.32 C ATOM 1019 C GLU A 69 3.600 1.249 -6.286 1.00 0.31 C ATOM 1020 O GLU A 69 3.023 0.183 -6.073 1.00 0.37 O ATOM 1021 CB GLU A 69 5.011 0.977 -8.333 1.00 0.34 C ATOM 1022 CG GLU A 69 4.412 2.097 -9.167 1.00 0.44 C ATOM 1023 CD GLU A 69 5.179 3.398 -9.031 1.00 1.30 C ATOM 1024 OE1 GLU A 69 6.132 3.610 -9.811 1.00 1.26 O ATOM 1025 OE2 GLU A 69 4.827 4.205 -8.145 1.00 2.29 O ATOM 0 H GLU A 69 5.661 -0.673 -6.370 1.00 0.29 H new ATOM 0 HA GLU A 69 5.446 2.262 -6.666 1.00 0.32 H new ATOM 0 HB2 GLU A 69 6.032 0.792 -8.668 1.00 0.34 H new ATOM 0 HB3 GLU A 69 4.447 0.062 -8.511 1.00 0.34 H new ATOM 0 HG2 GLU A 69 4.396 1.797 -10.215 1.00 0.44 H new ATOM 0 HG3 GLU A 69 3.377 2.256 -8.865 1.00 0.44 H new ATOM 1030 N LEU A 70 3.039 2.432 -6.061 1.00 0.32 N ATOM 1031 CA LEU A 70 1.682 2.546 -5.539 1.00 0.33 C ATOM 1032 C LEU A 70 0.706 2.972 -6.633 1.00 0.33 C ATOM 1033 O LEU A 70 1.087 3.642 -7.593 1.00 0.45 O ATOM 1034 CB LEU A 70 1.638 3.550 -4.384 1.00 0.38 C ATOM 1035 CG LEU A 70 2.370 3.113 -3.114 1.00 0.95 C ATOM 1036 CD1 LEU A 70 1.760 1.836 -2.559 1.00 1.25 C ATOM 1037 CD2 LEU A 70 3.855 2.920 -3.391 1.00 1.85 C ATOM 0 H LEU A 70 3.502 3.325 -6.232 1.00 0.32 H new ATOM 0 HA LEU A 70 1.381 1.565 -5.172 1.00 0.33 H new ATOM 0 HB2 LEU A 70 2.067 4.492 -4.726 1.00 0.38 H new ATOM 0 HB3 LEU A 70 0.595 3.747 -4.134 1.00 0.38 H new ATOM 0 HG LEU A 70 2.260 3.899 -2.367 1.00 0.95 H new ATOM 0 HD11 LEU A 70 2.294 1.540 -1.656 1.00 1.25 H new ATOM 0 HD12 LEU A 70 0.710 2.008 -2.320 1.00 1.25 H new ATOM 0 HD13 LEU A 70 1.838 1.043 -3.302 1.00 1.25 H new ATOM 0 HD21 LEU A 70 4.359 2.609 -2.476 1.00 1.85 H new ATOM 0 HD22 LEU A 70 3.986 2.154 -4.155 1.00 1.85 H new ATOM 0 HD23 LEU A 70 4.285 3.859 -3.741 1.00 1.85 H new ATOM 1048 N GLU A 71 -0.553 2.578 -6.479 1.00 0.35 N ATOM 1049 CA GLU A 71 -1.588 2.918 -7.448 1.00 0.38 C ATOM 1050 C GLU A 71 -2.929 3.129 -6.753 1.00 0.37 C ATOM 1051 O GLU A 71 -3.441 2.230 -6.086 1.00 0.52 O ATOM 1052 CB GLU A 71 -1.711 1.818 -8.503 1.00 0.47 C ATOM 1053 CG GLU A 71 -2.751 2.115 -9.572 1.00 0.54 C ATOM 1054 CD GLU A 71 -2.840 1.024 -10.621 1.00 1.31 C ATOM 1055 OE1 GLU A 71 -3.596 0.054 -10.405 1.00 2.24 O ATOM 1056 OE2 GLU A 71 -2.153 1.139 -11.658 1.00 1.26 O ATOM 0 H GLU A 71 -0.882 2.021 -5.690 1.00 0.35 H new ATOM 0 HA GLU A 71 -1.303 3.848 -7.940 1.00 0.38 H new ATOM 0 HB2 GLU A 71 -0.742 1.674 -8.981 1.00 0.47 H new ATOM 0 HB3 GLU A 71 -1.966 0.880 -8.010 1.00 0.47 H new ATOM 0 HG2 GLU A 71 -3.726 2.240 -9.100 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -2.508 3.061 -10.057 1.00 0.54 H new ATOM 1061 N ALA A 72 -3.492 4.322 -6.915 1.00 0.45 N ATOM 1062 CA ALA A 72 -4.773 4.651 -6.301 1.00 0.52 C ATOM 1063 C ALA A 72 -5.813 3.572 -6.582 1.00 0.44 C ATOM 1064 O ALA A 72 -5.618 2.718 -7.446 1.00 0.53 O ATOM 1065 CB ALA A 72 -5.261 6.004 -6.798 1.00 0.76 C ATOM 0 H ALA A 72 -3.082 5.076 -7.466 1.00 0.45 H new ATOM 0 HA ALA A 72 -4.629 4.702 -5.222 1.00 0.52 H new ATOM 0 HB1 ALA A 72 -6.218 6.239 -6.333 1.00 0.76 H new ATOM 0 HB2 ALA A 72 -4.533 6.772 -6.537 1.00 0.76 H new ATOM 0 HB3 ALA A 72 -5.382 5.972 -7.881 1.00 0.76 H new ATOM 1071 N VAL A 73 -6.919 3.621 -5.846 1.00 0.58 N ATOM 1072 CA VAL A 73 -7.991 2.648 -6.014 1.00 0.64 C ATOM 1073 C VAL A 73 -9.140 3.231 -6.831 1.00 0.83 C ATOM 1074 O VAL A 73 -9.403 4.432 -6.781 1.00 0.99 O ATOM 1075 CB VAL A 73 -8.535 2.174 -4.654 1.00 0.78 C ATOM 1076 CG1 VAL A 73 -9.616 1.122 -4.847 1.00 1.01 C ATOM 1077 CG2 VAL A 73 -7.407 1.637 -3.786 1.00 1.16 C ATOM 0 H VAL A 73 -7.096 4.324 -5.128 1.00 0.58 H new ATOM 0 HA VAL A 73 -7.565 1.797 -6.545 1.00 0.64 H new ATOM 0 HB VAL A 73 -8.980 3.028 -4.144 1.00 0.78 H new ATOM 0 HG11 VAL A 73 -9.988 0.800 -3.874 1.00 1.01 H new ATOM 0 HG12 VAL A 73 -10.436 1.545 -5.427 1.00 1.01 H new ATOM 0 HG13 VAL A 73 -9.200 0.266 -5.378 1.00 1.01 H new ATOM 0 HG21 VAL A 73 -7.810 1.307 -2.829 1.00 1.16 H new ATOM 0 HG22 VAL A 73 -6.930 0.796 -4.289 1.00 1.16 H new ATOM 0 HG23 VAL A 73 -6.671 2.424 -3.618 1.00 1.16 H new ATOM 1087 N ALA A 74 -9.821 2.370 -7.582 1.00 0.99 N ATOM 1088 CA ALA A 74 -10.942 2.800 -8.410 1.00 1.25 C ATOM 1089 C ALA A 74 -12.273 2.410 -7.778 1.00 1.66 C ATOM 1090 O ALA A 74 -12.313 1.674 -6.792 1.00 2.28 O ATOM 1091 CB ALA A 74 -10.824 2.207 -9.806 1.00 1.57 C ATOM 0 H ALA A 74 -9.616 1.372 -7.634 1.00 0.99 H new ATOM 0 HA ALA A 74 -10.911 3.887 -8.485 1.00 1.25 H new ATOM 0 HB1 ALA A 74 -11.667 2.536 -10.414 1.00 1.57 H new ATOM 0 HB2 ALA A 74 -9.894 2.541 -10.266 1.00 1.57 H new ATOM 0 HB3 ALA A 74 -10.827 1.119 -9.741 1.00 1.57 H new ATOM 1097 N GLN A 75 -13.364 2.908 -8.353 1.00 1.95 N ATOM 1098 CA GLN A 75 -14.699 2.612 -7.847 1.00 2.53 C ATOM 1099 C GLN A 75 -15.141 1.212 -8.260 1.00 2.88 C ATOM 1100 O GLN A 75 -14.966 0.809 -9.410 1.00 3.14 O ATOM 1101 CB GLN A 75 -15.704 3.647 -8.358 1.00 3.27 C ATOM 1102 CG GLN A 75 -15.465 5.049 -7.819 1.00 3.83 C ATOM 1103 CD GLN A 75 -14.090 5.583 -8.167 1.00 4.50 C ATOM 1104 OE1 GLN A 75 -13.899 6.213 -9.208 1.00 4.86 O ATOM 1105 NE2 GLN A 75 -13.121 5.335 -7.294 1.00 5.13 N ATOM 0 H GLN A 75 -13.349 3.519 -9.170 1.00 1.95 H new ATOM 0 HA GLN A 75 -14.664 2.656 -6.758 1.00 2.53 H new ATOM 0 HB2 GLN A 75 -15.663 3.674 -9.447 1.00 3.27 H new ATOM 0 HB3 GLN A 75 -16.710 3.329 -8.085 1.00 3.27 H new ATOM 0 HG2 GLN A 75 -16.223 5.722 -8.219 1.00 3.83 H new ATOM 0 HG3 GLN A 75 -15.584 5.043 -6.736 1.00 3.83 H new ATOM 0 HE21 GLN A 75 -13.323 4.809 -6.444 1.00 5.13 H new ATOM 0 HE22 GLN A 75 -12.175 5.670 -7.474 1.00 5.13 H new TER 1112 GLN A 75