USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 558 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 24 THR OG1 : rot -85:sc= 2.36 USER MOD Set 1.2: A 26 THR OG1 : rot -111:sc= 0.303 USER MOD Set 2.1: A 12 SER OG : rot 84:sc= 0.693 USER MOD Set 2.2: A 14 ASN : amide:sc= 0.927 K(o=1.6,f=-0.55) USER MOD Set 3.1: A 11 GLN : amide:sc= -0.406 X(o=-0.36,f=-0.3) USER MOD Set 3.2: A 15 SER OG : rot 174:sc= 0.051 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 173:sc= -0.631 (180deg=-0.737) USER MOD Single : A 18 GLN : amide:sc= -0.0645 X(o=-0.064,f=-0.13) USER MOD Single : A 22 LYS NZ :NH3+ -172:sc=-0.00762 (180deg=-0.118) USER MOD Single : A 23 GLN : amide:sc= -2.47 K(o=-2.5,f=-0.093) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -156:sc= 1.1 USER MOD Single : A 40 SER OG : rot 80:sc= 0.0737 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0353) USER MOD Single : A 47 HIS : no HD1:sc= -0.557 X(o=-0.56,f=-0.86) USER MOD Single : A 50 GLN : amide:sc= -1.81! K(o=-1.8!,f=-0.066) USER MOD Single : A 51 SER OG : rot 180:sc= -0.314 USER MOD Single : A 52 SER OG : rot 79:sc= 1.21 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 60 THR OG1 : rot 21:sc= -2.06! USER MOD Single : A 64 TYR OH : rot 30:sc= 0.957 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 69 ASN : amide:sc= 0.668 K(o=0.67,f=-1) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 3 -4.542 -6.930 -5.902 1.00 0.57 N ATOM 32 CA GLU A 3 -3.985 -6.840 -4.567 1.00 0.47 C ATOM 33 C GLU A 3 -2.837 -7.822 -4.418 1.00 0.42 C ATOM 34 O GLU A 3 -2.825 -8.878 -5.056 1.00 0.50 O ATOM 35 CB GLU A 3 -5.066 -7.107 -3.521 1.00 0.58 C ATOM 36 CG GLU A 3 -6.118 -6.013 -3.456 1.00 0.70 C ATOM 37 CD GLU A 3 -7.264 -6.366 -2.537 1.00 1.26 C ATOM 38 OE1 GLU A 3 -7.106 -6.221 -1.306 1.00 1.99 O ATOM 39 OE2 GLU A 3 -8.327 -6.781 -3.036 1.00 1.35 O ATOM 0 HA GLU A 3 -3.602 -5.832 -4.409 1.00 0.47 H new ATOM 0 HB2 GLU A 3 -5.552 -8.057 -3.744 1.00 0.58 H new ATOM 0 HB3 GLU A 3 -4.598 -7.211 -2.542 1.00 0.58 H new ATOM 0 HG2 GLU A 3 -5.654 -5.088 -3.114 1.00 0.70 H new ATOM 0 HG3 GLU A 3 -6.504 -5.825 -4.458 1.00 0.70 H new ATOM 46 N TRP A 4 -1.887 -7.483 -3.567 1.00 0.36 N ATOM 47 CA TRP A 4 -0.670 -8.260 -3.442 1.00 0.38 C ATOM 48 C TRP A 4 -0.437 -8.667 -1.999 1.00 0.34 C ATOM 49 O TRP A 4 -0.920 -8.013 -1.072 1.00 0.34 O ATOM 50 CB TRP A 4 0.533 -7.463 -3.952 1.00 0.45 C ATOM 51 CG TRP A 4 0.457 -7.132 -5.410 1.00 0.57 C ATOM 52 CD1 TRP A 4 0.768 -7.958 -6.448 1.00 1.00 C ATOM 53 CD2 TRP A 4 0.047 -5.891 -5.992 1.00 0.51 C ATOM 54 NE1 TRP A 4 0.578 -7.308 -7.641 1.00 1.17 N ATOM 55 CE2 TRP A 4 0.133 -6.037 -7.389 1.00 0.84 C ATOM 56 CE3 TRP A 4 -0.386 -4.670 -5.468 1.00 0.53 C ATOM 57 CZ2 TRP A 4 -0.197 -5.010 -8.267 1.00 0.89 C ATOM 58 CZ3 TRP A 4 -0.713 -3.652 -6.341 1.00 0.60 C ATOM 59 CH2 TRP A 4 -0.619 -3.826 -7.725 1.00 0.65 C ATOM 0 H TRP A 4 -1.936 -6.672 -2.951 1.00 0.36 H new ATOM 0 HA TRP A 4 -0.784 -9.159 -4.048 1.00 0.38 H new ATOM 0 HB2 TRP A 4 0.614 -6.538 -3.381 1.00 0.45 H new ATOM 0 HB3 TRP A 4 1.443 -8.034 -3.764 1.00 0.45 H new ATOM 0 HD1 TRP A 4 1.114 -8.976 -6.346 1.00 1.00 H new ATOM 0 HE1 TRP A 4 0.742 -7.706 -8.566 1.00 1.17 H new ATOM 0 HE3 TRP A 4 -0.463 -4.526 -4.400 1.00 0.53 H new ATOM 0 HZ2 TRP A 4 -0.123 -5.142 -9.336 1.00 0.89 H new ATOM 0 HZ3 TRP A 4 -1.048 -2.704 -5.948 1.00 0.60 H new ATOM 0 HH2 TRP A 4 -0.885 -3.009 -8.380 1.00 0.65 H new ATOM 70 N THR A 5 0.305 -9.745 -1.821 1.00 0.37 N ATOM 71 CA THR A 5 0.700 -10.180 -0.502 1.00 0.39 C ATOM 72 C THR A 5 2.026 -9.523 -0.156 1.00 0.35 C ATOM 73 O THR A 5 3.095 -9.974 -0.571 1.00 0.44 O ATOM 74 CB THR A 5 0.834 -11.714 -0.434 1.00 0.55 C ATOM 75 OG1 THR A 5 -0.374 -12.331 -0.910 1.00 1.13 O ATOM 76 CG2 THR A 5 1.119 -12.177 0.989 1.00 1.11 C ATOM 0 H THR A 5 0.646 -10.335 -2.580 1.00 0.37 H new ATOM 0 HA THR A 5 -0.067 -9.887 0.215 1.00 0.39 H new ATOM 0 HB THR A 5 1.671 -12.010 -1.066 1.00 0.55 H new ATOM 0 HG1 THR A 5 -0.283 -13.306 -0.866 1.00 1.13 H new ATOM 0 HG21 THR A 5 1.209 -13.263 1.007 1.00 1.11 H new ATOM 0 HG22 THR A 5 2.050 -11.730 1.337 1.00 1.11 H new ATOM 0 HG23 THR A 5 0.302 -11.869 1.642 1.00 1.11 H new ATOM 84 N LEU A 6 1.941 -8.443 0.596 1.00 0.30 N ATOM 85 CA LEU A 6 3.090 -7.604 0.860 1.00 0.34 C ATOM 86 C LEU A 6 3.538 -7.741 2.302 1.00 0.42 C ATOM 87 O LEU A 6 2.833 -7.330 3.220 1.00 0.75 O ATOM 88 CB LEU A 6 2.747 -6.142 0.557 1.00 0.42 C ATOM 89 CG LEU A 6 2.286 -5.867 -0.877 1.00 0.47 C ATOM 90 CD1 LEU A 6 1.821 -4.428 -1.022 1.00 0.66 C ATOM 91 CD2 LEU A 6 3.405 -6.162 -1.863 1.00 0.53 C ATOM 0 H LEU A 6 1.078 -8.125 1.038 1.00 0.30 H new ATOM 0 HA LEU A 6 3.907 -7.925 0.214 1.00 0.34 H new ATOM 0 HB2 LEU A 6 1.963 -5.819 1.242 1.00 0.42 H new ATOM 0 HB3 LEU A 6 3.624 -5.529 0.764 1.00 0.42 H new ATOM 0 HG LEU A 6 1.446 -6.526 -1.098 1.00 0.47 H new ATOM 0 HD11 LEU A 6 1.497 -4.252 -2.048 1.00 0.66 H new ATOM 0 HD12 LEU A 6 0.989 -4.244 -0.342 1.00 0.66 H new ATOM 0 HD13 LEU A 6 2.643 -3.754 -0.780 1.00 0.66 H new ATOM 0 HD21 LEU A 6 3.059 -5.961 -2.877 1.00 0.53 H new ATOM 0 HD22 LEU A 6 4.263 -5.528 -1.640 1.00 0.53 H new ATOM 0 HD23 LEU A 6 3.696 -7.209 -1.780 1.00 0.53 H new ATOM 103 N ASP A 7 4.699 -8.346 2.493 1.00 0.38 N ATOM 104 CA ASP A 7 5.324 -8.396 3.803 1.00 0.44 C ATOM 105 C ASP A 7 6.346 -7.275 3.889 1.00 0.39 C ATOM 106 O ASP A 7 7.467 -7.398 3.396 1.00 0.46 O ATOM 107 CB ASP A 7 5.990 -9.755 4.039 1.00 0.58 C ATOM 108 CG ASP A 7 6.617 -9.863 5.414 1.00 1.30 C ATOM 109 OD1 ASP A 7 5.872 -10.027 6.404 1.00 1.67 O ATOM 110 OD2 ASP A 7 7.859 -9.795 5.514 1.00 2.12 O ATOM 0 H ASP A 7 5.228 -8.810 1.755 1.00 0.38 H new ATOM 0 HA ASP A 7 4.567 -8.267 4.576 1.00 0.44 H new ATOM 0 HB2 ASP A 7 5.249 -10.545 3.918 1.00 0.58 H new ATOM 0 HB3 ASP A 7 6.756 -9.917 3.280 1.00 0.58 H new ATOM 115 N ILE A 8 5.945 -6.174 4.494 1.00 0.35 N ATOM 116 CA ILE A 8 6.756 -4.969 4.501 1.00 0.32 C ATOM 117 C ILE A 8 7.534 -4.845 5.803 1.00 0.30 C ATOM 118 O ILE A 8 6.951 -4.878 6.888 1.00 0.35 O ATOM 119 CB ILE A 8 5.876 -3.714 4.301 1.00 0.37 C ATOM 120 CG1 ILE A 8 5.130 -3.795 2.962 1.00 0.52 C ATOM 121 CG2 ILE A 8 6.716 -2.443 4.372 1.00 0.44 C ATOM 122 CD1 ILE A 8 6.042 -3.885 1.753 1.00 0.91 C ATOM 0 H ILE A 8 5.058 -6.088 4.990 1.00 0.35 H new ATOM 0 HA ILE A 8 7.463 -5.042 3.674 1.00 0.32 H new ATOM 0 HB ILE A 8 5.143 -3.678 5.107 1.00 0.37 H new ATOM 0 HG12 ILE A 8 4.474 -4.665 2.975 1.00 0.52 H new ATOM 0 HG13 ILE A 8 4.493 -2.917 2.859 1.00 0.52 H new ATOM 0 HG21 ILE A 8 6.074 -1.574 4.228 1.00 0.44 H new ATOM 0 HG22 ILE A 8 7.199 -2.380 5.347 1.00 0.44 H new ATOM 0 HG23 ILE A 8 7.476 -2.465 3.591 1.00 0.44 H new ATOM 0 HD11 ILE A 8 5.440 -3.939 0.846 1.00 0.91 H new ATOM 0 HD12 ILE A 8 6.681 -3.003 1.713 1.00 0.91 H new ATOM 0 HD13 ILE A 8 6.662 -4.778 1.830 1.00 0.91 H new ATOM 134 N PRO A 9 8.872 -4.727 5.697 1.00 0.26 N ATOM 135 CA PRO A 9 9.759 -4.556 6.854 1.00 0.26 C ATOM 136 C PRO A 9 9.392 -3.351 7.719 1.00 0.27 C ATOM 137 O PRO A 9 8.790 -2.382 7.247 1.00 0.32 O ATOM 138 CB PRO A 9 11.139 -4.346 6.222 1.00 0.29 C ATOM 139 CG PRO A 9 11.046 -4.978 4.879 1.00 0.35 C ATOM 140 CD PRO A 9 9.627 -4.780 4.431 1.00 0.29 C ATOM 0 HA PRO A 9 9.700 -5.412 7.526 1.00 0.26 H new ATOM 0 HB2 PRO A 9 11.380 -3.286 6.144 1.00 0.29 H new ATOM 0 HB3 PRO A 9 11.923 -4.808 6.822 1.00 0.29 H new ATOM 0 HG2 PRO A 9 11.744 -4.517 4.181 1.00 0.35 H new ATOM 0 HG3 PRO A 9 11.297 -6.038 4.927 1.00 0.35 H new ATOM 0 HD2 PRO A 9 9.512 -3.861 3.856 1.00 0.29 H new ATOM 0 HD3 PRO A 9 9.289 -5.598 3.795 1.00 0.29 H new ATOM 148 N ALA A 10 9.799 -3.409 8.977 1.00 0.30 N ATOM 149 CA ALA A 10 9.502 -2.358 9.941 1.00 0.33 C ATOM 150 C ALA A 10 10.792 -1.673 10.355 1.00 0.35 C ATOM 151 O ALA A 10 10.950 -1.209 11.484 1.00 0.43 O ATOM 152 CB ALA A 10 8.782 -2.924 11.156 1.00 0.41 C ATOM 0 H ALA A 10 10.343 -4.183 9.359 1.00 0.30 H new ATOM 0 HA ALA A 10 8.841 -1.627 9.475 1.00 0.33 H new ATOM 0 HB1 ALA A 10 8.571 -2.120 11.861 1.00 0.41 H new ATOM 0 HB2 ALA A 10 7.846 -3.386 10.842 1.00 0.41 H new ATOM 0 HB3 ALA A 10 9.412 -3.672 11.637 1.00 0.41 H new ATOM 158 N GLN A 11 11.720 -1.649 9.421 1.00 0.34 N ATOM 159 CA GLN A 11 13.029 -1.073 9.638 1.00 0.40 C ATOM 160 C GLN A 11 13.200 0.147 8.745 1.00 0.35 C ATOM 161 O GLN A 11 12.209 0.744 8.325 1.00 0.37 O ATOM 162 CB GLN A 11 14.099 -2.120 9.330 1.00 0.53 C ATOM 163 CG GLN A 11 14.010 -2.664 7.914 1.00 0.96 C ATOM 164 CD GLN A 11 14.846 -3.902 7.704 1.00 0.90 C ATOM 165 OE1 GLN A 11 16.019 -3.824 7.345 1.00 1.61 O ATOM 166 NE2 GLN A 11 14.244 -5.057 7.921 1.00 0.90 N ATOM 0 H GLN A 11 11.586 -2.031 8.485 1.00 0.34 H new ATOM 0 HA GLN A 11 13.131 -0.761 10.677 1.00 0.40 H new ATOM 0 HB2 GLN A 11 15.084 -1.680 9.482 1.00 0.53 H new ATOM 0 HB3 GLN A 11 14.006 -2.945 10.036 1.00 0.53 H new ATOM 0 HG2 GLN A 11 12.969 -2.892 7.683 1.00 0.96 H new ATOM 0 HG3 GLN A 11 14.331 -1.893 7.214 1.00 0.96 H new ATOM 0 HE21 GLN A 11 13.268 -5.076 8.218 1.00 0.90 H new ATOM 0 HE22 GLN A 11 14.755 -5.930 7.791 1.00 0.90 H new ATOM 175 N SER A 12 14.447 0.512 8.468 1.00 0.38 N ATOM 176 CA SER A 12 14.750 1.625 7.579 1.00 0.40 C ATOM 177 C SER A 12 13.940 1.514 6.289 1.00 0.36 C ATOM 178 O SER A 12 13.927 0.468 5.629 1.00 0.34 O ATOM 179 CB SER A 12 16.252 1.636 7.261 1.00 0.50 C ATOM 180 OG SER A 12 16.632 2.800 6.544 1.00 1.30 O ATOM 0 H SER A 12 15.270 0.048 8.851 1.00 0.38 H new ATOM 0 HA SER A 12 14.480 2.557 8.075 1.00 0.40 H new ATOM 0 HB2 SER A 12 16.820 1.580 8.190 1.00 0.50 H new ATOM 0 HB3 SER A 12 16.506 0.751 6.678 1.00 0.50 H new ATOM 0 HG SER A 12 16.799 3.532 7.174 1.00 1.30 H new ATOM 186 N MET A 13 13.238 2.604 5.964 1.00 0.42 N ATOM 187 CA MET A 13 12.403 2.687 4.765 1.00 0.46 C ATOM 188 C MET A 13 13.149 2.252 3.512 1.00 0.42 C ATOM 189 O MET A 13 12.531 1.811 2.548 1.00 0.45 O ATOM 190 CB MET A 13 11.879 4.109 4.569 1.00 0.61 C ATOM 191 CG MET A 13 10.672 4.441 5.421 1.00 0.68 C ATOM 192 SD MET A 13 10.085 6.124 5.171 1.00 1.29 S ATOM 193 CE MET A 13 8.694 6.158 6.296 1.00 1.00 C ATOM 0 H MET A 13 13.234 3.454 6.527 1.00 0.42 H new ATOM 0 HA MET A 13 11.568 2.003 4.919 1.00 0.46 H new ATOM 0 HB2 MET A 13 12.678 4.815 4.797 1.00 0.61 H new ATOM 0 HB3 MET A 13 11.620 4.249 3.519 1.00 0.61 H new ATOM 0 HG2 MET A 13 9.867 3.742 5.191 1.00 0.68 H new ATOM 0 HG3 MET A 13 10.925 4.301 6.472 1.00 0.68 H new ATOM 0 HE1 MET A 13 8.296 7.171 6.352 1.00 1.00 H new ATOM 0 HE2 MET A 13 7.918 5.483 5.935 1.00 1.00 H new ATOM 0 HE3 MET A 13 9.019 5.840 7.287 1.00 1.00 H new ATOM 203 N ASN A 14 14.471 2.371 3.533 1.00 0.41 N ATOM 204 CA ASN A 14 15.294 1.958 2.404 1.00 0.45 C ATOM 205 C ASN A 14 15.037 0.497 2.055 1.00 0.41 C ATOM 206 O ASN A 14 14.986 0.135 0.881 1.00 0.47 O ATOM 207 CB ASN A 14 16.781 2.172 2.701 1.00 0.52 C ATOM 208 CG ASN A 14 17.144 3.638 2.834 1.00 1.32 C ATOM 209 OD1 ASN A 14 17.406 4.319 1.843 1.00 2.26 O ATOM 210 ND2 ASN A 14 17.182 4.130 4.061 1.00 1.85 N ATOM 0 H ASN A 14 14.996 2.751 4.321 1.00 0.41 H new ATOM 0 HA ASN A 14 15.020 2.577 1.549 1.00 0.45 H new ATOM 0 HB2 ASN A 14 17.042 1.652 3.623 1.00 0.52 H new ATOM 0 HB3 ASN A 14 17.375 1.725 1.904 1.00 0.52 H new ATOM 0 HD21 ASN A 14 17.435 5.107 4.211 1.00 1.85 H new ATOM 0 HD22 ASN A 14 16.958 3.533 4.857 1.00 1.85 H new ATOM 217 N SER A 15 14.830 -0.331 3.076 1.00 0.36 N ATOM 218 CA SER A 15 14.610 -1.756 2.872 1.00 0.36 C ATOM 219 C SER A 15 13.155 -2.024 2.502 1.00 0.32 C ATOM 220 O SER A 15 12.867 -2.769 1.562 1.00 0.32 O ATOM 221 CB SER A 15 14.969 -2.531 4.145 1.00 0.38 C ATOM 222 OG SER A 15 16.253 -2.157 4.612 1.00 1.20 O ATOM 0 H SER A 15 14.810 -0.037 4.053 1.00 0.36 H new ATOM 0 HA SER A 15 15.249 -2.090 2.054 1.00 0.36 H new ATOM 0 HB2 SER A 15 14.225 -2.337 4.917 1.00 0.38 H new ATOM 0 HB3 SER A 15 14.947 -3.602 3.943 1.00 0.38 H new ATOM 0 HG SER A 15 16.423 -2.582 5.479 1.00 1.20 H new ATOM 228 N ALA A 16 12.250 -1.403 3.245 1.00 0.31 N ATOM 229 CA ALA A 16 10.819 -1.602 3.054 1.00 0.32 C ATOM 230 C ALA A 16 10.352 -1.125 1.686 1.00 0.30 C ATOM 231 O ALA A 16 9.621 -1.829 0.995 1.00 0.29 O ATOM 232 CB ALA A 16 10.042 -0.895 4.148 1.00 0.38 C ATOM 0 H ALA A 16 12.484 -0.751 3.993 1.00 0.31 H new ATOM 0 HA ALA A 16 10.628 -2.674 3.108 1.00 0.32 H new ATOM 0 HB1 ALA A 16 8.974 -1.051 3.995 1.00 0.38 H new ATOM 0 HB2 ALA A 16 10.332 -1.298 5.119 1.00 0.38 H new ATOM 0 HB3 ALA A 16 10.261 0.172 4.118 1.00 0.38 H new ATOM 238 N LEU A 17 10.782 0.068 1.295 1.00 0.31 N ATOM 239 CA LEU A 17 10.376 0.646 0.021 1.00 0.33 C ATOM 240 C LEU A 17 10.980 -0.136 -1.141 1.00 0.32 C ATOM 241 O LEU A 17 10.328 -0.333 -2.162 1.00 0.35 O ATOM 242 CB LEU A 17 10.772 2.124 -0.050 1.00 0.38 C ATOM 243 CG LEU A 17 10.108 3.018 1.004 1.00 0.46 C ATOM 244 CD1 LEU A 17 10.611 4.446 0.889 1.00 0.92 C ATOM 245 CD2 LEU A 17 8.594 2.972 0.866 1.00 0.73 C ATOM 0 H LEU A 17 11.412 0.654 1.842 1.00 0.31 H new ATOM 0 HA LEU A 17 9.291 0.582 -0.056 1.00 0.33 H new ATOM 0 HB2 LEU A 17 11.854 2.201 0.057 1.00 0.38 H new ATOM 0 HB3 LEU A 17 10.522 2.506 -1.040 1.00 0.38 H new ATOM 0 HG LEU A 17 10.375 2.640 1.991 1.00 0.46 H new ATOM 0 HD11 LEU A 17 10.128 5.064 1.646 1.00 0.92 H new ATOM 0 HD12 LEU A 17 11.690 4.465 1.040 1.00 0.92 H new ATOM 0 HD13 LEU A 17 10.377 4.836 -0.102 1.00 0.92 H new ATOM 0 HD21 LEU A 17 8.140 3.612 1.622 1.00 0.73 H new ATOM 0 HD22 LEU A 17 8.308 3.323 -0.126 1.00 0.73 H new ATOM 0 HD23 LEU A 17 8.247 1.948 1.002 1.00 0.73 H new ATOM 257 N GLN A 18 12.214 -0.595 -0.971 1.00 0.34 N ATOM 258 CA GLN A 18 12.856 -1.442 -1.975 1.00 0.39 C ATOM 259 C GLN A 18 12.068 -2.742 -2.151 1.00 0.33 C ATOM 260 O GLN A 18 11.841 -3.203 -3.271 1.00 0.34 O ATOM 261 CB GLN A 18 14.294 -1.755 -1.556 1.00 0.49 C ATOM 262 CG GLN A 18 15.100 -2.495 -2.611 1.00 1.07 C ATOM 263 CD GLN A 18 15.345 -1.662 -3.851 1.00 1.51 C ATOM 264 OE1 GLN A 18 14.557 -1.684 -4.796 1.00 2.06 O ATOM 265 NE2 GLN A 18 16.445 -0.928 -3.860 1.00 2.19 N ATOM 0 H GLN A 18 12.790 -0.398 -0.152 1.00 0.34 H new ATOM 0 HA GLN A 18 12.872 -0.908 -2.925 1.00 0.39 H new ATOM 0 HB2 GLN A 18 14.802 -0.821 -1.314 1.00 0.49 H new ATOM 0 HB3 GLN A 18 14.274 -2.352 -0.644 1.00 0.49 H new ATOM 0 HG2 GLN A 18 16.057 -2.796 -2.186 1.00 1.07 H new ATOM 0 HG3 GLN A 18 14.574 -3.408 -2.890 1.00 1.07 H new ATOM 0 HE21 GLN A 18 17.072 -0.939 -3.055 1.00 2.19 H new ATOM 0 HE22 GLN A 18 16.667 -0.351 -4.672 1.00 2.19 H new ATOM 274 N ALA A 19 11.634 -3.311 -1.031 1.00 0.29 N ATOM 275 CA ALA A 19 10.848 -4.538 -1.044 1.00 0.28 C ATOM 276 C ALA A 19 9.480 -4.303 -1.680 1.00 0.26 C ATOM 277 O ALA A 19 9.003 -5.118 -2.472 1.00 0.28 O ATOM 278 CB ALA A 19 10.692 -5.084 0.369 1.00 0.31 C ATOM 0 H ALA A 19 11.815 -2.939 -0.099 1.00 0.29 H new ATOM 0 HA ALA A 19 11.379 -5.275 -1.646 1.00 0.28 H new ATOM 0 HB1 ALA A 19 10.103 -6.000 0.342 1.00 0.31 H new ATOM 0 HB2 ALA A 19 11.676 -5.297 0.787 1.00 0.31 H new ATOM 0 HB3 ALA A 19 10.186 -4.345 0.991 1.00 0.31 H new ATOM 284 N LEU A 20 8.870 -3.166 -1.355 1.00 0.27 N ATOM 285 CA LEU A 20 7.542 -2.830 -1.851 1.00 0.32 C ATOM 286 C LEU A 20 7.580 -2.649 -3.364 1.00 0.33 C ATOM 287 O LEU A 20 6.687 -3.107 -4.083 1.00 0.36 O ATOM 288 CB LEU A 20 7.038 -1.546 -1.181 1.00 0.38 C ATOM 289 CG LEU A 20 5.664 -1.053 -1.646 1.00 0.58 C ATOM 290 CD1 LEU A 20 4.584 -2.066 -1.304 1.00 1.03 C ATOM 291 CD2 LEU A 20 5.345 0.299 -1.024 1.00 0.95 C ATOM 0 H LEU A 20 9.280 -2.458 -0.745 1.00 0.27 H new ATOM 0 HA LEU A 20 6.859 -3.645 -1.609 1.00 0.32 H new ATOM 0 HB2 LEU A 20 7.000 -1.710 -0.104 1.00 0.38 H new ATOM 0 HB3 LEU A 20 7.767 -0.755 -1.357 1.00 0.38 H new ATOM 0 HG LEU A 20 5.691 -0.937 -2.730 1.00 0.58 H new ATOM 0 HD11 LEU A 20 3.617 -1.695 -1.643 1.00 1.03 H new ATOM 0 HD12 LEU A 20 4.803 -3.013 -1.798 1.00 1.03 H new ATOM 0 HD13 LEU A 20 4.556 -2.218 -0.225 1.00 1.03 H new ATOM 0 HD21 LEU A 20 4.366 0.634 -1.365 1.00 0.95 H new ATOM 0 HD22 LEU A 20 5.339 0.208 0.062 1.00 0.95 H new ATOM 0 HD23 LEU A 20 6.101 1.025 -1.323 1.00 0.95 H new ATOM 303 N ALA A 21 8.644 -2.000 -3.828 1.00 0.33 N ATOM 304 CA ALA A 21 8.810 -1.694 -5.239 1.00 0.39 C ATOM 305 C ALA A 21 8.913 -2.978 -6.047 1.00 0.38 C ATOM 306 O ALA A 21 8.219 -3.157 -7.042 1.00 0.44 O ATOM 307 CB ALA A 21 10.041 -0.823 -5.456 1.00 0.44 C ATOM 0 H ALA A 21 9.409 -1.674 -3.238 1.00 0.33 H new ATOM 0 HA ALA A 21 7.936 -1.139 -5.580 1.00 0.39 H new ATOM 0 HB1 ALA A 21 10.149 -0.604 -6.518 1.00 0.44 H new ATOM 0 HB2 ALA A 21 9.929 0.110 -4.903 1.00 0.44 H new ATOM 0 HB3 ALA A 21 10.927 -1.350 -5.102 1.00 0.44 H new ATOM 313 N LYS A 22 9.778 -3.875 -5.591 1.00 0.36 N ATOM 314 CA LYS A 22 10.015 -5.140 -6.273 1.00 0.42 C ATOM 315 C LYS A 22 8.752 -5.995 -6.333 1.00 0.37 C ATOM 316 O LYS A 22 8.379 -6.487 -7.400 1.00 0.47 O ATOM 317 CB LYS A 22 11.135 -5.911 -5.568 1.00 0.53 C ATOM 318 CG LYS A 22 11.358 -7.306 -6.130 1.00 1.22 C ATOM 319 CD LYS A 22 11.774 -7.263 -7.591 1.00 1.84 C ATOM 320 CE LYS A 22 11.875 -8.659 -8.188 1.00 2.65 C ATOM 321 NZ LYS A 22 12.850 -9.510 -7.459 1.00 3.41 N ATOM 0 H LYS A 22 10.331 -3.747 -4.744 1.00 0.36 H new ATOM 0 HA LYS A 22 10.313 -4.915 -7.297 1.00 0.42 H new ATOM 0 HB2 LYS A 22 12.062 -5.343 -5.648 1.00 0.53 H new ATOM 0 HB3 LYS A 22 10.899 -5.989 -4.507 1.00 0.53 H new ATOM 0 HG2 LYS A 22 12.126 -7.815 -5.548 1.00 1.22 H new ATOM 0 HG3 LYS A 22 10.443 -7.890 -6.029 1.00 1.22 H new ATOM 0 HD2 LYS A 22 11.052 -6.676 -8.158 1.00 1.84 H new ATOM 0 HD3 LYS A 22 12.736 -6.758 -7.681 1.00 1.84 H new ATOM 0 HE2 LYS A 22 10.894 -9.133 -8.167 1.00 2.65 H new ATOM 0 HE3 LYS A 22 12.171 -8.585 -9.234 1.00 2.65 H new ATOM 0 HZ1 LYS A 22 12.988 -10.401 -7.977 1.00 3.41 H new ATOM 0 HZ2 LYS A 22 13.759 -9.010 -7.383 1.00 3.41 H new ATOM 0 HZ3 LYS A 22 12.487 -9.716 -6.506 1.00 3.41 H new ATOM 335 N GLN A 23 8.087 -6.155 -5.195 1.00 0.33 N ATOM 336 CA GLN A 23 6.956 -7.074 -5.089 1.00 0.39 C ATOM 337 C GLN A 23 5.748 -6.614 -5.909 1.00 0.40 C ATOM 338 O GLN A 23 4.867 -7.415 -6.228 1.00 0.49 O ATOM 339 CB GLN A 23 6.566 -7.263 -3.623 1.00 0.52 C ATOM 340 CG GLN A 23 7.650 -7.942 -2.802 1.00 0.76 C ATOM 341 CD GLN A 23 7.278 -8.105 -1.340 1.00 0.78 C ATOM 342 OE1 GLN A 23 8.144 -8.106 -0.468 1.00 1.52 O ATOM 343 NE2 GLN A 23 5.995 -8.253 -1.057 1.00 1.29 N ATOM 0 H GLN A 23 8.310 -5.661 -4.331 1.00 0.33 H new ATOM 0 HA GLN A 23 7.276 -8.029 -5.505 1.00 0.39 H new ATOM 0 HB2 GLN A 23 6.341 -6.291 -3.184 1.00 0.52 H new ATOM 0 HB3 GLN A 23 5.653 -7.856 -3.569 1.00 0.52 H new ATOM 0 HG2 GLN A 23 7.859 -8.923 -3.229 1.00 0.76 H new ATOM 0 HG3 GLN A 23 8.569 -7.361 -2.874 1.00 0.76 H new ATOM 0 HE21 GLN A 23 5.303 -8.247 -1.807 1.00 1.29 H new ATOM 0 HE22 GLN A 23 5.697 -8.373 -0.089 1.00 1.29 H new ATOM 352 N THR A 24 5.706 -5.336 -6.261 1.00 0.38 N ATOM 353 CA THR A 24 4.604 -4.812 -7.058 1.00 0.47 C ATOM 354 C THR A 24 5.093 -4.344 -8.428 1.00 0.48 C ATOM 355 O THR A 24 4.318 -3.851 -9.247 1.00 0.76 O ATOM 356 CB THR A 24 3.900 -3.643 -6.336 1.00 0.54 C ATOM 357 OG1 THR A 24 4.858 -2.640 -5.977 1.00 0.62 O ATOM 358 CG2 THR A 24 3.182 -4.125 -5.086 1.00 0.62 C ATOM 0 H THR A 24 6.416 -4.648 -6.010 1.00 0.38 H new ATOM 0 HA THR A 24 3.889 -5.624 -7.194 1.00 0.47 H new ATOM 0 HB THR A 24 3.163 -3.220 -7.019 1.00 0.54 H new ATOM 0 HG1 THR A 24 5.269 -2.872 -5.118 1.00 0.62 H new ATOM 0 HG21 THR A 24 2.695 -3.281 -4.598 1.00 0.62 H new ATOM 0 HG22 THR A 24 2.432 -4.867 -5.360 1.00 0.62 H new ATOM 0 HG23 THR A 24 3.903 -4.573 -4.402 1.00 0.62 H new ATOM 366 N ASP A 25 6.393 -4.548 -8.656 1.00 0.41 N ATOM 367 CA ASP A 25 7.095 -4.070 -9.852 1.00 0.49 C ATOM 368 C ASP A 25 6.780 -2.599 -10.113 1.00 0.49 C ATOM 369 O ASP A 25 6.372 -2.212 -11.210 1.00 0.72 O ATOM 370 CB ASP A 25 6.757 -4.920 -11.079 1.00 0.68 C ATOM 371 CG ASP A 25 7.820 -4.802 -12.158 1.00 1.29 C ATOM 372 OD1 ASP A 25 8.908 -5.388 -11.983 1.00 1.57 O ATOM 373 OD2 ASP A 25 7.576 -4.129 -13.185 1.00 2.11 O ATOM 0 H ASP A 25 6.996 -5.056 -8.008 1.00 0.41 H new ATOM 0 HA ASP A 25 8.165 -4.167 -9.666 1.00 0.49 H new ATOM 0 HB2 ASP A 25 6.656 -5.964 -10.781 1.00 0.68 H new ATOM 0 HB3 ASP A 25 5.793 -4.609 -11.483 1.00 0.68 H new ATOM 378 N THR A 26 6.963 -1.785 -9.090 1.00 0.34 N ATOM 379 CA THR A 26 6.665 -0.372 -9.178 1.00 0.40 C ATOM 380 C THR A 26 7.936 0.462 -9.120 1.00 0.38 C ATOM 381 O THR A 26 8.986 -0.003 -8.668 1.00 0.40 O ATOM 382 CB THR A 26 5.711 0.065 -8.051 1.00 0.46 C ATOM 383 OG1 THR A 26 6.169 -0.450 -6.796 1.00 0.76 O ATOM 384 CG2 THR A 26 4.294 -0.420 -8.318 1.00 0.72 C ATOM 0 H THR A 26 7.320 -2.084 -8.182 1.00 0.34 H new ATOM 0 HA THR A 26 6.177 -0.205 -10.138 1.00 0.40 H new ATOM 0 HB THR A 26 5.702 1.154 -8.016 1.00 0.46 H new ATOM 0 HG1 THR A 26 5.542 -1.131 -6.474 1.00 0.76 H new ATOM 0 HG21 THR A 26 3.640 -0.098 -7.507 1.00 0.72 H new ATOM 0 HG22 THR A 26 3.938 -0.002 -9.259 1.00 0.72 H new ATOM 0 HG23 THR A 26 4.287 -1.508 -8.379 1.00 0.72 H new ATOM 392 N GLN A 27 7.836 1.687 -9.604 1.00 0.41 N ATOM 393 CA GLN A 27 8.934 2.626 -9.555 1.00 0.44 C ATOM 394 C GLN A 27 8.679 3.632 -8.445 1.00 0.46 C ATOM 395 O GLN A 27 7.783 4.467 -8.551 1.00 0.47 O ATOM 396 CB GLN A 27 9.081 3.342 -10.899 1.00 0.50 C ATOM 397 CG GLN A 27 10.279 4.277 -10.962 1.00 1.05 C ATOM 398 CD GLN A 27 10.500 4.852 -12.344 1.00 1.67 C ATOM 399 OE1 GLN A 27 9.974 5.915 -12.681 1.00 2.39 O ATOM 400 NE2 GLN A 27 11.277 4.152 -13.155 1.00 2.31 N ATOM 0 H GLN A 27 6.991 2.055 -10.041 1.00 0.41 H new ATOM 0 HA GLN A 27 9.861 2.090 -9.352 1.00 0.44 H new ATOM 0 HB2 GLN A 27 9.170 2.598 -11.690 1.00 0.50 H new ATOM 0 HB3 GLN A 27 8.174 3.913 -11.098 1.00 0.50 H new ATOM 0 HG2 GLN A 27 10.136 5.092 -10.253 1.00 1.05 H new ATOM 0 HG3 GLN A 27 11.173 3.737 -10.651 1.00 1.05 H new ATOM 0 HE21 GLN A 27 11.692 3.277 -12.834 1.00 2.31 H new ATOM 0 HE22 GLN A 27 11.461 4.487 -14.101 1.00 2.31 H new ATOM 409 N LEU A 28 9.450 3.544 -7.379 1.00 0.51 N ATOM 410 CA LEU A 28 9.247 4.415 -6.238 1.00 0.55 C ATOM 411 C LEU A 28 10.284 5.522 -6.227 1.00 0.58 C ATOM 412 O LEU A 28 11.487 5.262 -6.200 1.00 0.71 O ATOM 413 CB LEU A 28 9.311 3.623 -4.928 1.00 0.69 C ATOM 414 CG LEU A 28 8.217 2.567 -4.743 1.00 0.78 C ATOM 415 CD1 LEU A 28 8.355 1.892 -3.389 1.00 1.51 C ATOM 416 CD2 LEU A 28 6.836 3.188 -4.889 1.00 1.30 C ATOM 0 H LEU A 28 10.219 2.882 -7.279 1.00 0.51 H new ATOM 0 HA LEU A 28 8.255 4.859 -6.324 1.00 0.55 H new ATOM 0 HB2 LEU A 28 10.281 3.130 -4.868 1.00 0.69 H new ATOM 0 HB3 LEU A 28 9.259 4.325 -4.096 1.00 0.69 H new ATOM 0 HG LEU A 28 8.336 1.813 -5.521 1.00 0.78 H new ATOM 0 HD11 LEU A 28 7.570 1.145 -3.273 1.00 1.51 H new ATOM 0 HD12 LEU A 28 9.330 1.408 -3.321 1.00 1.51 H new ATOM 0 HD13 LEU A 28 8.264 2.638 -2.600 1.00 1.51 H new ATOM 0 HD21 LEU A 28 6.075 2.419 -4.754 1.00 1.30 H new ATOM 0 HD22 LEU A 28 6.705 3.965 -4.136 1.00 1.30 H new ATOM 0 HD23 LEU A 28 6.737 3.626 -5.882 1.00 1.30 H new ATOM 428 N LEU A 29 9.813 6.752 -6.265 1.00 0.53 N ATOM 429 CA LEU A 29 10.688 7.906 -6.223 1.00 0.60 C ATOM 430 C LEU A 29 10.632 8.500 -4.824 1.00 0.63 C ATOM 431 O LEU A 29 9.624 9.085 -4.429 1.00 0.66 O ATOM 432 CB LEU A 29 10.256 8.941 -7.277 1.00 0.65 C ATOM 433 CG LEU A 29 11.303 9.998 -7.673 1.00 1.17 C ATOM 434 CD1 LEU A 29 11.587 10.969 -6.532 1.00 1.90 C ATOM 435 CD2 LEU A 29 12.590 9.327 -8.125 1.00 2.03 C ATOM 0 H LEU A 29 8.820 6.979 -6.325 1.00 0.53 H new ATOM 0 HA LEU A 29 11.712 7.610 -6.452 1.00 0.60 H new ATOM 0 HB2 LEU A 29 9.955 8.405 -8.177 1.00 0.65 H new ATOM 0 HB3 LEU A 29 9.373 9.459 -6.904 1.00 0.65 H new ATOM 0 HG LEU A 29 10.890 10.573 -8.502 1.00 1.17 H new ATOM 0 HD11 LEU A 29 12.331 11.699 -6.852 1.00 1.90 H new ATOM 0 HD12 LEU A 29 10.667 11.485 -6.256 1.00 1.90 H new ATOM 0 HD13 LEU A 29 11.966 10.418 -5.671 1.00 1.90 H new ATOM 0 HD21 LEU A 29 13.320 10.088 -8.401 1.00 2.03 H new ATOM 0 HD22 LEU A 29 12.989 8.720 -7.312 1.00 2.03 H new ATOM 0 HD23 LEU A 29 12.386 8.691 -8.986 1.00 2.03 H new ATOM 447 N TYR A 30 11.702 8.320 -4.073 1.00 0.65 N ATOM 448 CA TYR A 30 11.762 8.818 -2.710 1.00 0.72 C ATOM 449 C TYR A 30 13.161 9.326 -2.401 1.00 0.77 C ATOM 450 O TYR A 30 14.135 8.890 -3.015 1.00 0.82 O ATOM 451 CB TYR A 30 11.363 7.720 -1.712 1.00 0.72 C ATOM 452 CG TYR A 30 12.304 6.529 -1.664 1.00 0.69 C ATOM 453 CD1 TYR A 30 12.157 5.462 -2.545 1.00 0.65 C ATOM 454 CD2 TYR A 30 13.333 6.469 -0.731 1.00 0.80 C ATOM 455 CE1 TYR A 30 13.004 4.370 -2.493 1.00 0.71 C ATOM 456 CE2 TYR A 30 14.185 5.382 -0.676 1.00 0.88 C ATOM 457 CZ TYR A 30 14.018 4.336 -1.560 1.00 0.83 C ATOM 458 OH TYR A 30 14.863 3.248 -1.504 1.00 0.96 O ATOM 0 H TYR A 30 12.543 7.832 -4.383 1.00 0.65 H new ATOM 0 HA TYR A 30 11.056 9.643 -2.612 1.00 0.72 H new ATOM 0 HB2 TYR A 30 11.304 8.158 -0.716 1.00 0.72 H new ATOM 0 HB3 TYR A 30 10.364 7.365 -1.964 1.00 0.72 H new ATOM 0 HD1 TYR A 30 11.368 5.487 -3.282 1.00 0.65 H new ATOM 0 HD2 TYR A 30 13.469 7.286 -0.037 1.00 0.80 H new ATOM 0 HE1 TYR A 30 12.872 3.548 -3.180 1.00 0.71 H new ATOM 0 HE2 TYR A 30 14.978 5.352 0.056 1.00 0.88 H new ATOM 0 HH TYR A 30 15.523 3.383 -0.792 1.00 0.96 H new ATOM 468 N SER A 31 13.254 10.249 -1.462 1.00 0.85 N ATOM 469 CA SER A 31 14.533 10.797 -1.051 1.00 0.97 C ATOM 470 C SER A 31 15.005 10.145 0.242 1.00 0.88 C ATOM 471 O SER A 31 14.405 10.338 1.303 1.00 0.85 O ATOM 472 CB SER A 31 14.404 12.309 -0.872 1.00 1.20 C ATOM 473 OG SER A 31 15.564 12.873 -0.286 1.00 1.78 O ATOM 0 H SER A 31 12.452 10.638 -0.966 1.00 0.85 H new ATOM 0 HA SER A 31 15.274 10.589 -1.823 1.00 0.97 H new ATOM 0 HB2 SER A 31 14.224 12.775 -1.841 1.00 1.20 H new ATOM 0 HB3 SER A 31 13.538 12.528 -0.247 1.00 1.20 H new ATOM 0 HG SER A 31 15.330 13.714 0.160 1.00 1.78 H new ATOM 479 N PRO A 32 16.083 9.347 0.168 1.00 0.96 N ATOM 480 CA PRO A 32 16.674 8.695 1.340 1.00 0.99 C ATOM 481 C PRO A 32 17.118 9.712 2.388 1.00 1.01 C ATOM 482 O PRO A 32 17.145 9.420 3.585 1.00 1.05 O ATOM 483 CB PRO A 32 17.885 7.950 0.772 1.00 1.23 C ATOM 484 CG PRO A 32 17.597 7.795 -0.681 1.00 1.37 C ATOM 485 CD PRO A 32 16.803 9.005 -1.072 1.00 1.12 C ATOM 0 HA PRO A 32 15.964 8.041 1.847 1.00 0.99 H new ATOM 0 HB2 PRO A 32 18.805 8.511 0.934 1.00 1.23 H new ATOM 0 HB3 PRO A 32 18.014 6.981 1.254 1.00 1.23 H new ATOM 0 HG2 PRO A 32 18.520 7.730 -1.258 1.00 1.37 H new ATOM 0 HG3 PRO A 32 17.036 6.880 -0.873 1.00 1.37 H new ATOM 0 HD2 PRO A 32 17.447 9.820 -1.402 1.00 1.12 H new ATOM 0 HD3 PRO A 32 16.116 8.789 -1.891 1.00 1.12 H new ATOM 493 N GLU A 33 17.460 10.905 1.927 1.00 1.09 N ATOM 494 CA GLU A 33 17.894 11.974 2.810 1.00 1.26 C ATOM 495 C GLU A 33 16.711 12.595 3.553 1.00 1.23 C ATOM 496 O GLU A 33 16.865 13.123 4.654 1.00 1.39 O ATOM 497 CB GLU A 33 18.644 13.044 2.018 1.00 1.48 C ATOM 498 CG GLU A 33 19.824 12.485 1.243 1.00 1.99 C ATOM 499 CD GLU A 33 20.700 13.563 0.646 1.00 2.43 C ATOM 500 OE1 GLU A 33 21.636 14.023 1.328 1.00 2.96 O ATOM 501 OE2 GLU A 33 20.445 13.970 -0.507 1.00 2.83 O ATOM 0 H GLU A 33 17.445 11.157 0.939 1.00 1.09 H new ATOM 0 HA GLU A 33 18.568 11.545 3.551 1.00 1.26 H new ATOM 0 HB2 GLU A 33 17.955 13.525 1.324 1.00 1.48 H new ATOM 0 HB3 GLU A 33 18.997 13.815 2.703 1.00 1.48 H new ATOM 0 HG2 GLU A 33 20.424 11.861 1.905 1.00 1.99 H new ATOM 0 HG3 GLU A 33 19.456 11.840 0.445 1.00 1.99 H new ATOM 508 N ASP A 34 15.529 12.529 2.953 1.00 1.12 N ATOM 509 CA ASP A 34 14.341 13.138 3.550 1.00 1.23 C ATOM 510 C ASP A 34 13.630 12.175 4.486 1.00 1.17 C ATOM 511 O ASP A 34 12.861 12.595 5.352 1.00 1.38 O ATOM 512 CB ASP A 34 13.375 13.644 2.479 1.00 1.33 C ATOM 513 CG ASP A 34 13.838 14.944 1.859 1.00 1.71 C ATOM 514 OD1 ASP A 34 13.952 15.950 2.587 1.00 2.14 O ATOM 515 OD2 ASP A 34 14.093 14.965 0.635 1.00 2.22 O ATOM 0 H ASP A 34 15.365 12.064 2.060 1.00 1.12 H new ATOM 0 HA ASP A 34 14.682 13.992 4.135 1.00 1.23 H new ATOM 0 HB2 ASP A 34 13.271 12.889 1.700 1.00 1.33 H new ATOM 0 HB3 ASP A 34 12.388 13.785 2.920 1.00 1.33 H new ATOM 520 N ILE A 35 13.895 10.888 4.326 1.00 0.97 N ATOM 521 CA ILE A 35 13.359 9.896 5.244 1.00 0.97 C ATOM 522 C ILE A 35 14.355 9.639 6.366 1.00 1.02 C ATOM 523 O ILE A 35 14.000 9.113 7.414 1.00 1.09 O ATOM 524 CB ILE A 35 13.043 8.554 4.540 1.00 0.88 C ATOM 525 CG1 ILE A 35 14.265 8.062 3.757 1.00 0.78 C ATOM 526 CG2 ILE A 35 11.833 8.697 3.627 1.00 0.95 C ATOM 527 CD1 ILE A 35 14.073 6.716 3.087 1.00 0.82 C ATOM 0 H ILE A 35 14.473 10.508 3.576 1.00 0.97 H new ATOM 0 HA ILE A 35 12.427 10.298 5.641 1.00 0.97 H new ATOM 0 HB ILE A 35 12.803 7.812 5.301 1.00 0.88 H new ATOM 0 HG12 ILE A 35 14.517 8.801 2.997 1.00 0.78 H new ATOM 0 HG13 ILE A 35 15.116 8.000 4.435 1.00 0.78 H new ATOM 0 HG21 ILE A 35 11.628 7.743 3.142 1.00 0.95 H new ATOM 0 HG22 ILE A 35 10.967 8.998 4.216 1.00 0.95 H new ATOM 0 HG23 ILE A 35 12.037 9.453 2.869 1.00 0.95 H new ATOM 0 HD11 ILE A 35 14.984 6.441 2.555 1.00 0.82 H new ATOM 0 HD12 ILE A 35 13.853 5.962 3.842 1.00 0.82 H new ATOM 0 HD13 ILE A 35 13.244 6.776 2.381 1.00 0.82 H new ATOM 539 N GLY A 36 15.609 10.011 6.127 1.00 1.08 N ATOM 540 CA GLY A 36 16.635 9.907 7.152 1.00 1.25 C ATOM 541 C GLY A 36 16.973 8.475 7.522 1.00 1.17 C ATOM 542 O GLY A 36 17.791 8.239 8.409 1.00 1.40 O ATOM 0 H GLY A 36 15.935 10.385 5.236 1.00 1.08 H new ATOM 0 HA2 GLY A 36 17.538 10.407 6.804 1.00 1.25 H new ATOM 0 HA3 GLY A 36 16.302 10.436 8.045 1.00 1.25 H new ATOM 546 N GLY A 37 16.350 7.524 6.843 1.00 0.97 N ATOM 547 CA GLY A 37 16.580 6.128 7.139 1.00 0.96 C ATOM 548 C GLY A 37 15.894 5.689 8.420 1.00 0.88 C ATOM 549 O GLY A 37 16.453 4.917 9.197 1.00 1.05 O ATOM 0 H GLY A 37 15.686 7.697 6.088 1.00 0.97 H new ATOM 0 HA2 GLY A 37 16.220 5.519 6.310 1.00 0.96 H new ATOM 0 HA3 GLY A 37 17.652 5.949 7.224 1.00 0.96 H new ATOM 553 N LEU A 38 14.678 6.174 8.636 1.00 0.77 N ATOM 554 CA LEU A 38 13.912 5.806 9.821 1.00 0.83 C ATOM 555 C LEU A 38 13.031 4.606 9.507 1.00 0.66 C ATOM 556 O LEU A 38 12.944 4.186 8.351 1.00 0.67 O ATOM 557 CB LEU A 38 13.084 6.998 10.337 1.00 1.06 C ATOM 558 CG LEU A 38 12.176 7.702 9.318 1.00 1.05 C ATOM 559 CD1 LEU A 38 10.901 6.909 9.070 1.00 1.72 C ATOM 560 CD2 LEU A 38 11.841 9.107 9.795 1.00 1.20 C ATOM 0 H LEU A 38 14.201 6.821 8.008 1.00 0.77 H new ATOM 0 HA LEU A 38 14.601 5.529 10.619 1.00 0.83 H new ATOM 0 HB2 LEU A 38 12.463 6.649 11.162 1.00 1.06 H new ATOM 0 HB3 LEU A 38 13.772 7.737 10.747 1.00 1.06 H new ATOM 0 HG LEU A 38 12.717 7.767 8.374 1.00 1.05 H new ATOM 0 HD11 LEU A 38 10.281 7.435 8.344 1.00 1.72 H new ATOM 0 HD12 LEU A 38 11.156 5.922 8.683 1.00 1.72 H new ATOM 0 HD13 LEU A 38 10.352 6.801 10.005 1.00 1.72 H new ATOM 0 HD21 LEU A 38 11.197 9.596 9.064 1.00 1.20 H new ATOM 0 HD22 LEU A 38 11.325 9.052 10.754 1.00 1.20 H new ATOM 0 HD23 LEU A 38 12.760 9.681 9.910 1.00 1.20 H new ATOM 572 N ARG A 39 12.381 4.054 10.523 1.00 0.68 N ATOM 573 CA ARG A 39 11.606 2.836 10.341 1.00 0.59 C ATOM 574 C ARG A 39 10.220 3.122 9.783 1.00 0.52 C ATOM 575 O ARG A 39 9.549 4.073 10.189 1.00 0.62 O ATOM 576 CB ARG A 39 11.484 2.046 11.646 1.00 0.66 C ATOM 577 CG ARG A 39 10.926 2.838 12.812 1.00 0.76 C ATOM 578 CD ARG A 39 10.541 1.914 13.953 1.00 1.12 C ATOM 579 NE ARG A 39 11.594 0.942 14.256 1.00 2.00 N ATOM 580 CZ ARG A 39 11.446 -0.077 15.101 1.00 2.70 C ATOM 581 NH1 ARG A 39 10.324 -0.208 15.801 1.00 2.71 N ATOM 582 NH2 ARG A 39 12.423 -0.960 15.255 1.00 3.77 N ATOM 0 H ARG A 39 12.375 4.426 11.473 1.00 0.68 H new ATOM 0 HA ARG A 39 12.150 2.232 9.615 1.00 0.59 H new ATOM 0 HB2 ARG A 39 10.845 1.180 11.473 1.00 0.66 H new ATOM 0 HB3 ARG A 39 12.469 1.666 11.919 1.00 0.66 H new ATOM 0 HG2 ARG A 39 11.667 3.559 13.156 1.00 0.76 H new ATOM 0 HG3 ARG A 39 10.054 3.407 12.488 1.00 0.76 H new ATOM 0 HD2 ARG A 39 10.329 2.507 14.843 1.00 1.12 H new ATOM 0 HD3 ARG A 39 9.623 1.385 13.696 1.00 1.12 H new ATOM 0 HE ARG A 39 12.495 1.052 13.792 1.00 2.00 H new ATOM 0 HH11 ARG A 39 9.573 0.473 15.692 1.00 2.71 H new ATOM 0 HH12 ARG A 39 10.214 -0.990 16.447 1.00 2.71 H new ATOM 0 HH21 ARG A 39 13.289 -0.859 14.726 1.00 3.77 H new ATOM 0 HH22 ARG A 39 12.308 -1.740 15.902 1.00 3.77 H new ATOM 596 N SER A 40 9.816 2.292 8.841 1.00 0.45 N ATOM 597 CA SER A 40 8.491 2.361 8.262 1.00 0.50 C ATOM 598 C SER A 40 7.506 1.527 9.073 1.00 0.49 C ATOM 599 O SER A 40 7.901 0.721 9.919 1.00 0.48 O ATOM 600 CB SER A 40 8.546 1.861 6.821 1.00 0.56 C ATOM 601 OG SER A 40 9.276 0.648 6.735 1.00 0.50 O ATOM 0 H SER A 40 10.400 1.550 8.456 1.00 0.45 H new ATOM 0 HA SER A 40 8.149 3.396 8.276 1.00 0.50 H new ATOM 0 HB2 SER A 40 7.534 1.709 6.446 1.00 0.56 H new ATOM 0 HB3 SER A 40 9.011 2.616 6.187 1.00 0.56 H new ATOM 0 HG SER A 40 8.702 -0.099 7.006 1.00 0.50 H new ATOM 607 N SER A 41 6.226 1.729 8.807 1.00 0.59 N ATOM 608 CA SER A 41 5.180 0.984 9.479 1.00 0.68 C ATOM 609 C SER A 41 4.932 -0.330 8.750 1.00 0.65 C ATOM 610 O SER A 41 4.519 -0.332 7.589 1.00 0.66 O ATOM 611 CB SER A 41 3.902 1.820 9.515 1.00 0.85 C ATOM 612 OG SER A 41 4.168 3.130 9.996 1.00 1.54 O ATOM 0 H SER A 41 5.887 2.408 8.125 1.00 0.59 H new ATOM 0 HA SER A 41 5.489 0.763 10.501 1.00 0.68 H new ATOM 0 HB2 SER A 41 3.471 1.876 8.516 1.00 0.85 H new ATOM 0 HB3 SER A 41 3.164 1.336 10.154 1.00 0.85 H new ATOM 0 HG SER A 41 3.337 3.649 10.009 1.00 1.54 H new ATOM 618 N ALA A 42 5.216 -1.435 9.433 1.00 0.69 N ATOM 619 CA ALA A 42 5.076 -2.762 8.852 1.00 0.72 C ATOM 620 C ALA A 42 3.636 -3.040 8.449 1.00 0.63 C ATOM 621 O ALA A 42 2.773 -3.269 9.302 1.00 0.66 O ATOM 622 CB ALA A 42 5.557 -3.819 9.831 1.00 0.84 C ATOM 0 H ALA A 42 5.547 -1.434 10.398 1.00 0.69 H new ATOM 0 HA ALA A 42 5.692 -2.800 7.954 1.00 0.72 H new ATOM 0 HB1 ALA A 42 5.447 -4.807 9.383 1.00 0.84 H new ATOM 0 HB2 ALA A 42 6.606 -3.644 10.069 1.00 0.84 H new ATOM 0 HB3 ALA A 42 4.964 -3.766 10.744 1.00 0.84 H new ATOM 628 N LEU A 43 3.375 -3.010 7.156 1.00 0.59 N ATOM 629 CA LEU A 43 2.051 -3.309 6.644 1.00 0.54 C ATOM 630 C LEU A 43 2.092 -4.633 5.891 1.00 0.45 C ATOM 631 O LEU A 43 2.204 -4.667 4.668 1.00 0.51 O ATOM 632 CB LEU A 43 1.579 -2.179 5.726 1.00 0.65 C ATOM 633 CG LEU A 43 0.113 -2.252 5.297 1.00 0.83 C ATOM 634 CD1 LEU A 43 -0.806 -2.088 6.499 1.00 1.42 C ATOM 635 CD2 LEU A 43 -0.186 -1.199 4.241 1.00 1.42 C ATOM 0 H LEU A 43 4.064 -2.781 6.439 1.00 0.59 H new ATOM 0 HA LEU A 43 1.346 -3.393 7.471 1.00 0.54 H new ATOM 0 HB2 LEU A 43 1.745 -1.228 6.233 1.00 0.65 H new ATOM 0 HB3 LEU A 43 2.202 -2.176 4.832 1.00 0.65 H new ATOM 0 HG LEU A 43 -0.070 -3.234 4.861 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -1.845 -2.143 6.173 1.00 1.42 H new ATOM 0 HD12 LEU A 43 -0.609 -2.883 7.219 1.00 1.42 H new ATOM 0 HD13 LEU A 43 -0.623 -1.121 6.967 1.00 1.42 H new ATOM 0 HD21 LEU A 43 -1.234 -1.265 3.947 1.00 1.42 H new ATOM 0 HD22 LEU A 43 0.015 -0.208 4.648 1.00 1.42 H new ATOM 0 HD23 LEU A 43 0.446 -1.368 3.369 1.00 1.42 H new ATOM 647 N LYS A 44 1.994 -5.723 6.635 1.00 0.43 N ATOM 648 CA LYS A 44 2.132 -7.048 6.059 1.00 0.43 C ATOM 649 C LYS A 44 0.771 -7.726 5.904 1.00 0.41 C ATOM 650 O LYS A 44 0.117 -8.081 6.887 1.00 0.50 O ATOM 651 CB LYS A 44 3.091 -7.898 6.904 1.00 0.61 C ATOM 652 CG LYS A 44 2.755 -7.929 8.390 1.00 0.88 C ATOM 653 CD LYS A 44 3.787 -8.726 9.175 1.00 1.15 C ATOM 654 CE LYS A 44 3.357 -8.925 10.620 1.00 1.77 C ATOM 655 NZ LYS A 44 3.210 -7.635 11.349 1.00 2.43 N ATOM 0 H LYS A 44 1.819 -5.715 7.640 1.00 0.43 H new ATOM 0 HA LYS A 44 2.558 -6.948 5.061 1.00 0.43 H new ATOM 0 HB2 LYS A 44 3.087 -8.918 6.521 1.00 0.61 H new ATOM 0 HB3 LYS A 44 4.104 -7.514 6.780 1.00 0.61 H new ATOM 0 HG2 LYS A 44 2.709 -6.911 8.776 1.00 0.88 H new ATOM 0 HG3 LYS A 44 1.768 -8.369 8.533 1.00 0.88 H new ATOM 0 HD2 LYS A 44 3.935 -9.697 8.702 1.00 1.15 H new ATOM 0 HD3 LYS A 44 4.746 -8.208 9.148 1.00 1.15 H new ATOM 0 HE2 LYS A 44 2.409 -9.463 10.644 1.00 1.77 H new ATOM 0 HE3 LYS A 44 4.090 -9.548 11.132 1.00 1.77 H new ATOM 0 HZ1 LYS A 44 2.982 -7.824 12.346 1.00 2.43 H new ATOM 0 HZ2 LYS A 44 4.101 -7.101 11.292 1.00 2.43 H new ATOM 0 HZ3 LYS A 44 2.444 -7.078 10.918 1.00 2.43 H new ATOM 669 N GLY A 45 0.346 -7.881 4.658 1.00 0.37 N ATOM 670 CA GLY A 45 -0.958 -8.455 4.375 1.00 0.37 C ATOM 671 C GLY A 45 -1.304 -8.368 2.904 1.00 0.33 C ATOM 672 O GLY A 45 -0.425 -8.151 2.067 1.00 0.34 O ATOM 0 H GLY A 45 0.883 -7.618 3.832 1.00 0.37 H new ATOM 0 HA2 GLY A 45 -0.972 -9.498 4.690 1.00 0.37 H new ATOM 0 HA3 GLY A 45 -1.718 -7.935 4.958 1.00 0.37 H new ATOM 676 N ARG A 46 -2.581 -8.519 2.589 1.00 0.35 N ATOM 677 CA ARG A 46 -3.054 -8.385 1.219 1.00 0.36 C ATOM 678 C ARG A 46 -3.513 -6.950 0.989 1.00 0.34 C ATOM 679 O ARG A 46 -4.536 -6.520 1.524 1.00 0.48 O ATOM 680 CB ARG A 46 -4.201 -9.359 0.935 1.00 0.49 C ATOM 681 CG ARG A 46 -4.930 -9.068 -0.366 1.00 0.97 C ATOM 682 CD ARG A 46 -6.147 -9.958 -0.545 1.00 1.13 C ATOM 683 NE ARG A 46 -7.100 -9.372 -1.484 1.00 1.77 N ATOM 684 CZ ARG A 46 -7.930 -10.073 -2.249 1.00 2.26 C ATOM 685 NH1 ARG A 46 -7.944 -11.400 -2.199 1.00 2.15 N ATOM 686 NH2 ARG A 46 -8.760 -9.437 -3.063 1.00 3.27 N ATOM 0 H ARG A 46 -3.312 -8.735 3.267 1.00 0.35 H new ATOM 0 HA ARG A 46 -2.238 -8.625 0.538 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -3.806 -10.374 0.903 1.00 0.49 H new ATOM 0 HB3 ARG A 46 -4.914 -9.320 1.759 1.00 0.49 H new ATOM 0 HG2 ARG A 46 -5.239 -8.023 -0.383 1.00 0.97 H new ATOM 0 HG3 ARG A 46 -4.248 -9.212 -1.204 1.00 0.97 H new ATOM 0 HD2 ARG A 46 -5.834 -10.938 -0.906 1.00 1.13 H new ATOM 0 HD3 ARG A 46 -6.632 -10.113 0.419 1.00 1.13 H new ATOM 0 HE ARG A 46 -7.130 -8.355 -1.558 1.00 1.77 H new ATOM 0 HH11 ARG A 46 -7.313 -11.893 -1.568 1.00 2.15 H new ATOM 0 HH12 ARG A 46 -8.586 -11.926 -2.792 1.00 2.15 H new ATOM 0 HH21 ARG A 46 -8.758 -8.418 -3.099 1.00 3.27 H new ATOM 0 HH22 ARG A 46 -9.401 -9.967 -3.654 1.00 3.27 H new ATOM 700 N HIS A 47 -2.741 -6.200 0.221 1.00 0.32 N ATOM 701 CA HIS A 47 -3.019 -4.785 0.020 1.00 0.45 C ATOM 702 C HIS A 47 -2.804 -4.390 -1.433 1.00 0.43 C ATOM 703 O HIS A 47 -2.007 -5.003 -2.143 1.00 0.46 O ATOM 704 CB HIS A 47 -2.114 -3.926 0.916 1.00 0.68 C ATOM 705 CG HIS A 47 -2.260 -4.194 2.382 1.00 1.01 C ATOM 706 ND1 HIS A 47 -3.338 -3.765 3.124 1.00 1.79 N ATOM 707 CD2 HIS A 47 -1.457 -4.862 3.243 1.00 1.21 C ATOM 708 CE1 HIS A 47 -3.193 -4.158 4.375 1.00 1.98 C ATOM 709 NE2 HIS A 47 -2.061 -4.826 4.474 1.00 1.57 N ATOM 0 H HIS A 47 -1.918 -6.545 -0.273 1.00 0.32 H new ATOM 0 HA HIS A 47 -4.062 -4.612 0.285 1.00 0.45 H new ATOM 0 HB2 HIS A 47 -1.076 -4.094 0.630 1.00 0.68 H new ATOM 0 HB3 HIS A 47 -2.330 -2.874 0.728 1.00 0.68 H new ATOM 0 HD2 HIS A 47 -0.516 -5.335 3.005 1.00 1.21 H new ATOM 0 HE1 HIS A 47 -3.885 -3.965 5.182 1.00 1.98 H new ATOM 0 HE2 HIS A 47 -1.694 -5.248 5.327 1.00 1.57 H new ATOM 718 N ASP A 48 -3.544 -3.379 -1.865 1.00 0.47 N ATOM 719 CA ASP A 48 -3.324 -2.757 -3.166 1.00 0.55 C ATOM 720 C ASP A 48 -2.232 -1.703 -3.028 1.00 0.48 C ATOM 721 O ASP A 48 -1.931 -1.283 -1.906 1.00 0.44 O ATOM 722 CB ASP A 48 -4.631 -2.124 -3.680 1.00 0.70 C ATOM 723 CG ASP A 48 -4.451 -1.276 -4.932 1.00 1.20 C ATOM 724 OD1 ASP A 48 -4.518 -1.834 -6.047 1.00 1.80 O ATOM 725 OD2 ASP A 48 -4.232 -0.055 -4.812 1.00 1.86 O ATOM 0 H ASP A 48 -4.309 -2.968 -1.329 1.00 0.47 H new ATOM 0 HA ASP A 48 -3.009 -3.510 -3.889 1.00 0.55 H new ATOM 0 HB2 ASP A 48 -5.350 -2.916 -3.889 1.00 0.70 H new ATOM 0 HB3 ASP A 48 -5.059 -1.505 -2.891 1.00 0.70 H new ATOM 730 N LEU A 49 -1.628 -1.283 -4.132 1.00 0.50 N ATOM 731 CA LEU A 49 -0.560 -0.289 -4.079 1.00 0.51 C ATOM 732 C LEU A 49 -1.049 0.981 -3.388 1.00 0.42 C ATOM 733 O LEU A 49 -0.437 1.457 -2.429 1.00 0.43 O ATOM 734 CB LEU A 49 -0.071 0.042 -5.494 1.00 0.61 C ATOM 735 CG LEU A 49 1.089 1.042 -5.572 1.00 0.73 C ATOM 736 CD1 LEU A 49 2.335 0.482 -4.898 1.00 1.16 C ATOM 737 CD2 LEU A 49 1.380 1.402 -7.022 1.00 1.18 C ATOM 0 H LEU A 49 -1.856 -1.612 -5.070 1.00 0.50 H new ATOM 0 HA LEU A 49 0.269 -0.704 -3.506 1.00 0.51 H new ATOM 0 HB2 LEU A 49 0.237 -0.884 -5.980 1.00 0.61 H new ATOM 0 HB3 LEU A 49 -0.910 0.439 -6.066 1.00 0.61 H new ATOM 0 HG LEU A 49 0.797 1.948 -5.041 1.00 0.73 H new ATOM 0 HD11 LEU A 49 3.144 1.209 -4.966 1.00 1.16 H new ATOM 0 HD12 LEU A 49 2.120 0.276 -3.849 1.00 1.16 H new ATOM 0 HD13 LEU A 49 2.634 -0.441 -5.395 1.00 1.16 H new ATOM 0 HD21 LEU A 49 2.206 2.113 -7.062 1.00 1.18 H new ATOM 0 HD22 LEU A 49 1.650 0.501 -7.573 1.00 1.18 H new ATOM 0 HD23 LEU A 49 0.493 1.850 -7.471 1.00 1.18 H new ATOM 749 N GLN A 50 -2.176 1.498 -3.865 1.00 0.41 N ATOM 750 CA GLN A 50 -2.786 2.703 -3.315 1.00 0.42 C ATOM 751 C GLN A 50 -3.098 2.527 -1.830 1.00 0.39 C ATOM 752 O GLN A 50 -2.845 3.422 -1.022 1.00 0.41 O ATOM 753 CB GLN A 50 -4.072 3.001 -4.085 1.00 0.52 C ATOM 754 CG GLN A 50 -4.791 4.268 -3.651 1.00 1.21 C ATOM 755 CD GLN A 50 -6.171 4.374 -4.267 1.00 1.67 C ATOM 756 OE1 GLN A 50 -6.659 5.469 -4.546 1.00 2.15 O ATOM 757 NE2 GLN A 50 -6.815 3.236 -4.472 1.00 2.39 N ATOM 0 H GLN A 50 -2.693 1.093 -4.645 1.00 0.41 H new ATOM 0 HA GLN A 50 -2.088 3.534 -3.416 1.00 0.42 H new ATOM 0 HB2 GLN A 50 -3.835 3.079 -5.146 1.00 0.52 H new ATOM 0 HB3 GLN A 50 -4.752 2.156 -3.972 1.00 0.52 H new ATOM 0 HG2 GLN A 50 -4.876 4.283 -2.564 1.00 1.21 H new ATOM 0 HG3 GLN A 50 -4.198 5.137 -3.936 1.00 1.21 H new ATOM 0 HE21 GLN A 50 -6.374 2.349 -4.227 1.00 2.39 H new ATOM 0 HE22 GLN A 50 -7.752 3.246 -4.875 1.00 2.39 H new ATOM 766 N SER A 51 -3.641 1.368 -1.484 1.00 0.41 N ATOM 767 CA SER A 51 -3.991 1.059 -0.105 1.00 0.46 C ATOM 768 C SER A 51 -2.748 1.056 0.783 1.00 0.41 C ATOM 769 O SER A 51 -2.743 1.646 1.866 1.00 0.43 O ATOM 770 CB SER A 51 -4.685 -0.299 -0.048 1.00 0.57 C ATOM 771 OG SER A 51 -5.783 -0.338 -0.944 1.00 1.33 O ATOM 0 H SER A 51 -3.850 0.621 -2.146 1.00 0.41 H new ATOM 0 HA SER A 51 -4.669 1.828 0.267 1.00 0.46 H new ATOM 0 HB2 SER A 51 -3.975 -1.087 -0.300 1.00 0.57 H new ATOM 0 HB3 SER A 51 -5.030 -0.494 0.967 1.00 0.57 H new ATOM 0 HG SER A 51 -6.214 -1.217 -0.895 1.00 1.33 H new ATOM 777 N SER A 52 -1.697 0.398 0.308 1.00 0.40 N ATOM 778 CA SER A 52 -0.439 0.319 1.039 1.00 0.43 C ATOM 779 C SER A 52 0.142 1.710 1.273 1.00 0.41 C ATOM 780 O SER A 52 0.575 2.033 2.381 1.00 0.45 O ATOM 781 CB SER A 52 0.562 -0.542 0.270 1.00 0.49 C ATOM 782 OG SER A 52 0.005 -1.808 -0.041 1.00 1.21 O ATOM 0 H SER A 52 -1.692 -0.092 -0.587 1.00 0.40 H new ATOM 0 HA SER A 52 -0.635 -0.139 2.008 1.00 0.43 H new ATOM 0 HB2 SER A 52 0.855 -0.034 -0.648 1.00 0.49 H new ATOM 0 HB3 SER A 52 1.466 -0.674 0.864 1.00 0.49 H new ATOM 0 HG SER A 52 -0.588 -1.723 -0.817 1.00 1.21 H new ATOM 788 N LEU A 53 0.129 2.531 0.227 1.00 0.39 N ATOM 789 CA LEU A 53 0.675 3.878 0.303 1.00 0.41 C ATOM 790 C LEU A 53 -0.056 4.717 1.344 1.00 0.40 C ATOM 791 O LEU A 53 0.574 5.338 2.191 1.00 0.46 O ATOM 792 CB LEU A 53 0.585 4.567 -1.061 1.00 0.44 C ATOM 793 CG LEU A 53 1.369 3.898 -2.189 1.00 0.51 C ATOM 794 CD1 LEU A 53 1.092 4.597 -3.512 1.00 0.70 C ATOM 795 CD2 LEU A 53 2.860 3.905 -1.884 1.00 0.56 C ATOM 0 H LEU A 53 -0.255 2.284 -0.685 1.00 0.39 H new ATOM 0 HA LEU A 53 1.720 3.792 0.601 1.00 0.41 H new ATOM 0 HB2 LEU A 53 -0.464 4.620 -1.353 1.00 0.44 H new ATOM 0 HB3 LEU A 53 0.939 5.592 -0.955 1.00 0.44 H new ATOM 0 HG LEU A 53 1.042 2.861 -2.269 1.00 0.51 H new ATOM 0 HD11 LEU A 53 1.657 4.110 -4.306 1.00 0.70 H new ATOM 0 HD12 LEU A 53 0.027 4.541 -3.737 1.00 0.70 H new ATOM 0 HD13 LEU A 53 1.393 5.642 -3.441 1.00 0.70 H new ATOM 0 HD21 LEU A 53 3.400 3.424 -2.699 1.00 0.56 H new ATOM 0 HD22 LEU A 53 3.205 4.934 -1.777 1.00 0.56 H new ATOM 0 HD23 LEU A 53 3.044 3.362 -0.957 1.00 0.56 H new ATOM 807 N ARG A 54 -1.384 4.715 1.281 1.00 0.38 N ATOM 808 CA ARG A 54 -2.196 5.576 2.140 1.00 0.43 C ATOM 809 C ARG A 54 -1.980 5.288 3.626 1.00 0.42 C ATOM 810 O ARG A 54 -1.879 6.213 4.431 1.00 0.48 O ATOM 811 CB ARG A 54 -3.677 5.437 1.787 1.00 0.51 C ATOM 812 CG ARG A 54 -4.050 6.122 0.480 1.00 1.10 C ATOM 813 CD ARG A 54 -5.543 6.049 0.207 1.00 1.31 C ATOM 814 NE ARG A 54 -5.920 6.845 -0.964 1.00 1.87 N ATOM 815 CZ ARG A 54 -7.167 6.957 -1.424 1.00 2.48 C ATOM 816 NH1 ARG A 54 -8.161 6.299 -0.841 1.00 2.70 N ATOM 817 NH2 ARG A 54 -7.423 7.723 -2.476 1.00 3.38 N ATOM 0 H ARG A 54 -1.922 4.127 0.645 1.00 0.38 H new ATOM 0 HA ARG A 54 -1.874 6.602 1.959 1.00 0.43 H new ATOM 0 HB2 ARG A 54 -3.930 4.379 1.720 1.00 0.51 H new ATOM 0 HB3 ARG A 54 -4.277 5.858 2.594 1.00 0.51 H new ATOM 0 HG2 ARG A 54 -3.738 7.166 0.516 1.00 1.10 H new ATOM 0 HG3 ARG A 54 -3.508 5.655 -0.342 1.00 1.10 H new ATOM 0 HD2 ARG A 54 -5.834 5.010 0.050 1.00 1.31 H new ATOM 0 HD3 ARG A 54 -6.090 6.404 1.080 1.00 1.31 H new ATOM 0 HE ARG A 54 -5.182 7.345 -1.459 1.00 1.87 H new ATOM 0 HH11 ARG A 54 -7.974 5.702 -0.035 1.00 2.70 H new ATOM 0 HH12 ARG A 54 -9.112 6.390 -1.199 1.00 2.70 H new ATOM 0 HH21 ARG A 54 -6.665 8.228 -2.935 1.00 3.38 H new ATOM 0 HH22 ARG A 54 -8.378 7.807 -2.826 1.00 3.38 H new ATOM 831 N ILE A 55 -1.903 4.012 3.988 1.00 0.42 N ATOM 832 CA ILE A 55 -1.729 3.638 5.389 1.00 0.47 C ATOM 833 C ILE A 55 -0.349 4.055 5.899 1.00 0.49 C ATOM 834 O ILE A 55 -0.219 4.558 7.013 1.00 0.59 O ATOM 835 CB ILE A 55 -1.931 2.124 5.612 1.00 0.56 C ATOM 836 CG1 ILE A 55 -3.311 1.699 5.103 1.00 0.59 C ATOM 837 CG2 ILE A 55 -1.779 1.781 7.091 1.00 0.66 C ATOM 838 CD1 ILE A 55 -3.577 0.210 5.209 1.00 1.24 C ATOM 0 H ILE A 55 -1.957 3.226 3.340 1.00 0.42 H new ATOM 0 HA ILE A 55 -2.495 4.169 5.954 1.00 0.47 H new ATOM 0 HB ILE A 55 -1.169 1.581 5.053 1.00 0.56 H new ATOM 0 HG12 ILE A 55 -4.075 2.235 5.666 1.00 0.59 H new ATOM 0 HG13 ILE A 55 -3.411 2.002 4.061 1.00 0.59 H new ATOM 0 HG21 ILE A 55 -1.924 0.710 7.233 1.00 0.66 H new ATOM 0 HG22 ILE A 55 -0.781 2.060 7.428 1.00 0.66 H new ATOM 0 HG23 ILE A 55 -2.523 2.328 7.670 1.00 0.66 H new ATOM 0 HD11 ILE A 55 -4.575 -0.009 4.828 1.00 1.24 H new ATOM 0 HD12 ILE A 55 -2.837 -0.334 4.623 1.00 1.24 H new ATOM 0 HD13 ILE A 55 -3.511 -0.098 6.252 1.00 1.24 H new ATOM 850 N LEU A 56 0.672 3.863 5.072 1.00 0.45 N ATOM 851 CA LEU A 56 2.035 4.241 5.440 1.00 0.52 C ATOM 852 C LEU A 56 2.168 5.764 5.451 1.00 0.53 C ATOM 853 O LEU A 56 2.864 6.342 6.291 1.00 0.65 O ATOM 854 CB LEU A 56 3.029 3.614 4.449 1.00 0.57 C ATOM 855 CG LEU A 56 4.505 3.609 4.876 1.00 0.75 C ATOM 856 CD1 LEU A 56 5.264 2.516 4.142 1.00 1.04 C ATOM 857 CD2 LEU A 56 5.159 4.954 4.603 1.00 1.63 C ATOM 0 H LEU A 56 0.584 3.449 4.144 1.00 0.45 H new ATOM 0 HA LEU A 56 2.259 3.870 6.440 1.00 0.52 H new ATOM 0 HB2 LEU A 56 2.723 2.584 4.263 1.00 0.57 H new ATOM 0 HB3 LEU A 56 2.949 4.146 3.501 1.00 0.57 H new ATOM 0 HG LEU A 56 4.540 3.417 5.948 1.00 0.75 H new ATOM 0 HD11 LEU A 56 6.308 2.525 4.455 1.00 1.04 H new ATOM 0 HD12 LEU A 56 4.823 1.547 4.376 1.00 1.04 H new ATOM 0 HD13 LEU A 56 5.206 2.691 3.068 1.00 1.04 H new ATOM 0 HD21 LEU A 56 6.203 4.921 4.915 1.00 1.63 H new ATOM 0 HD22 LEU A 56 5.106 5.175 3.537 1.00 1.63 H new ATOM 0 HD23 LEU A 56 4.638 5.732 5.161 1.00 1.63 H new ATOM 869 N LEU A 57 1.474 6.404 4.523 1.00 0.51 N ATOM 870 CA LEU A 57 1.532 7.851 4.357 1.00 0.63 C ATOM 871 C LEU A 57 0.795 8.568 5.486 1.00 0.72 C ATOM 872 O LEU A 57 0.968 9.771 5.692 1.00 1.16 O ATOM 873 CB LEU A 57 0.905 8.231 3.016 1.00 0.80 C ATOM 874 CG LEU A 57 1.296 9.599 2.476 1.00 1.29 C ATOM 875 CD1 LEU A 57 2.732 9.577 1.982 1.00 1.68 C ATOM 876 CD2 LEU A 57 0.347 10.020 1.369 1.00 2.17 C ATOM 0 H LEU A 57 0.854 5.936 3.862 1.00 0.51 H new ATOM 0 HA LEU A 57 2.577 8.159 4.384 1.00 0.63 H new ATOM 0 HB2 LEU A 57 1.180 7.476 2.279 1.00 0.80 H new ATOM 0 HB3 LEU A 57 -0.180 8.196 3.119 1.00 0.80 H new ATOM 0 HG LEU A 57 1.223 10.330 3.281 1.00 1.29 H new ATOM 0 HD11 LEU A 57 3.000 10.561 1.598 1.00 1.68 H new ATOM 0 HD12 LEU A 57 3.396 9.316 2.806 1.00 1.68 H new ATOM 0 HD13 LEU A 57 2.832 8.838 1.187 1.00 1.68 H new ATOM 0 HD21 LEU A 57 0.639 11.000 0.993 1.00 2.17 H new ATOM 0 HD22 LEU A 57 0.388 9.293 0.558 1.00 2.17 H new ATOM 0 HD23 LEU A 57 -0.669 10.070 1.760 1.00 2.17 H new ATOM 888 N GLN A 58 -0.022 7.817 6.212 1.00 0.61 N ATOM 889 CA GLN A 58 -0.856 8.372 7.276 1.00 0.79 C ATOM 890 C GLN A 58 -0.019 9.116 8.322 1.00 1.05 C ATOM 891 O GLN A 58 -0.458 10.122 8.884 1.00 2.03 O ATOM 892 CB GLN A 58 -1.680 7.271 7.945 1.00 0.90 C ATOM 893 CG GLN A 58 -2.693 7.802 8.943 1.00 1.29 C ATOM 894 CD GLN A 58 -3.529 6.711 9.579 1.00 1.60 C ATOM 895 OE1 GLN A 58 -3.790 5.670 8.973 1.00 2.30 O ATOM 896 NE2 GLN A 58 -3.947 6.946 10.811 1.00 1.85 N ATOM 0 H GLN A 58 -0.127 6.811 6.083 1.00 0.61 H new ATOM 0 HA GLN A 58 -1.533 9.092 6.817 1.00 0.79 H new ATOM 0 HB2 GLN A 58 -2.202 6.700 7.177 1.00 0.90 H new ATOM 0 HB3 GLN A 58 -1.007 6.581 8.453 1.00 0.90 H new ATOM 0 HG2 GLN A 58 -2.170 8.353 9.725 1.00 1.29 H new ATOM 0 HG3 GLN A 58 -3.352 8.510 8.441 1.00 1.29 H new ATOM 0 HE21 GLN A 58 -3.706 7.823 11.273 1.00 1.85 H new ATOM 0 HE22 GLN A 58 -4.511 6.250 11.300 1.00 1.85 H new ATOM 905 N GLY A 59 1.188 8.628 8.576 1.00 0.97 N ATOM 906 CA GLY A 59 2.006 9.210 9.623 1.00 1.28 C ATOM 907 C GLY A 59 3.288 9.834 9.107 1.00 1.13 C ATOM 908 O GLY A 59 4.180 10.154 9.889 1.00 1.42 O ATOM 0 H GLY A 59 1.614 7.845 8.080 1.00 0.97 H new ATOM 0 HA2 GLY A 59 1.426 9.970 10.147 1.00 1.28 H new ATOM 0 HA3 GLY A 59 2.254 8.438 10.352 1.00 1.28 H new ATOM 912 N THR A 60 3.400 9.997 7.798 1.00 0.95 N ATOM 913 CA THR A 60 4.605 10.582 7.225 1.00 0.99 C ATOM 914 C THR A 60 4.410 12.041 6.813 1.00 1.06 C ATOM 915 O THR A 60 5.377 12.732 6.489 1.00 1.25 O ATOM 916 CB THR A 60 5.100 9.769 6.018 1.00 1.04 C ATOM 917 OG1 THR A 60 4.010 9.509 5.130 1.00 0.99 O ATOM 918 CG2 THR A 60 5.719 8.454 6.466 1.00 1.21 C ATOM 0 H THR A 60 2.684 9.737 7.120 1.00 0.95 H new ATOM 0 HA THR A 60 5.358 10.553 8.012 1.00 0.99 H new ATOM 0 HB THR A 60 5.863 10.352 5.502 1.00 1.04 H new ATOM 0 HG1 THR A 60 3.294 10.158 5.292 1.00 0.99 H new ATOM 0 HG21 THR A 60 6.061 7.897 5.594 1.00 1.21 H new ATOM 0 HG22 THR A 60 6.565 8.655 7.123 1.00 1.21 H new ATOM 0 HG23 THR A 60 4.975 7.866 7.003 1.00 1.21 H new ATOM 926 N GLY A 61 3.165 12.520 6.874 1.00 1.08 N ATOM 927 CA GLY A 61 2.854 13.879 6.441 1.00 1.32 C ATOM 928 C GLY A 61 3.226 14.173 4.994 1.00 1.26 C ATOM 929 O GLY A 61 3.335 15.335 4.604 1.00 1.35 O ATOM 0 H GLY A 61 2.364 11.990 7.217 1.00 1.08 H new ATOM 0 HA2 GLY A 61 1.786 14.055 6.573 1.00 1.32 H new ATOM 0 HA3 GLY A 61 3.376 14.583 7.089 1.00 1.32 H new ATOM 933 N LEU A 62 3.406 13.132 4.198 1.00 1.16 N ATOM 934 CA LEU A 62 3.830 13.297 2.817 1.00 1.11 C ATOM 935 C LEU A 62 2.666 13.042 1.871 1.00 1.07 C ATOM 936 O LEU A 62 1.551 12.765 2.311 1.00 1.14 O ATOM 937 CB LEU A 62 4.990 12.348 2.512 1.00 1.10 C ATOM 938 CG LEU A 62 6.250 12.580 3.348 1.00 1.19 C ATOM 939 CD1 LEU A 62 7.295 11.516 3.049 1.00 1.23 C ATOM 940 CD2 LEU A 62 6.809 13.972 3.088 1.00 1.28 C ATOM 0 H LEU A 62 3.265 12.163 4.484 1.00 1.16 H new ATOM 0 HA LEU A 62 4.169 14.322 2.671 1.00 1.11 H new ATOM 0 HB2 LEU A 62 4.652 11.323 2.667 1.00 1.10 H new ATOM 0 HB3 LEU A 62 5.249 12.442 1.457 1.00 1.10 H new ATOM 0 HG LEU A 62 5.984 12.507 4.403 1.00 1.19 H new ATOM 0 HD11 LEU A 62 8.183 11.699 3.653 1.00 1.23 H new ATOM 0 HD12 LEU A 62 6.891 10.532 3.286 1.00 1.23 H new ATOM 0 HD13 LEU A 62 7.561 11.554 1.993 1.00 1.23 H new ATOM 0 HD21 LEU A 62 7.705 14.122 3.690 1.00 1.28 H new ATOM 0 HD22 LEU A 62 7.060 14.072 2.032 1.00 1.28 H new ATOM 0 HD23 LEU A 62 6.062 14.720 3.356 1.00 1.28 H new ATOM 952 N ARG A 63 2.923 13.164 0.575 1.00 1.01 N ATOM 953 CA ARG A 63 1.904 12.919 -0.438 1.00 1.03 C ATOM 954 C ARG A 63 2.444 11.958 -1.492 1.00 0.92 C ATOM 955 O ARG A 63 3.657 11.770 -1.598 1.00 0.87 O ATOM 956 CB ARG A 63 1.482 14.229 -1.099 1.00 1.15 C ATOM 957 CG ARG A 63 1.206 15.331 -0.100 1.00 1.51 C ATOM 958 CD ARG A 63 -0.030 15.069 0.744 1.00 1.78 C ATOM 959 NE ARG A 63 -0.115 16.022 1.849 1.00 2.51 N ATOM 960 CZ ARG A 63 -0.833 15.846 2.958 1.00 3.28 C ATOM 961 NH1 ARG A 63 -1.576 14.759 3.120 1.00 3.53 N ATOM 962 NH2 ARG A 63 -0.792 16.767 3.911 1.00 4.21 N ATOM 0 H ARG A 63 3.832 13.432 0.199 1.00 1.01 H new ATOM 0 HA ARG A 63 1.033 12.475 0.043 1.00 1.03 H new ATOM 0 HB2 ARG A 63 2.266 14.554 -1.783 1.00 1.15 H new ATOM 0 HB3 ARG A 63 0.588 14.056 -1.698 1.00 1.15 H new ATOM 0 HG2 ARG A 63 2.070 15.445 0.555 1.00 1.51 H new ATOM 0 HG3 ARG A 63 1.083 16.274 -0.632 1.00 1.51 H new ATOM 0 HD2 ARG A 63 -0.923 15.145 0.123 1.00 1.78 H new ATOM 0 HD3 ARG A 63 0.000 14.052 1.136 1.00 1.78 H new ATOM 0 HE ARG A 63 0.416 16.889 1.765 1.00 2.51 H new ATOM 0 HH11 ARG A 63 -1.602 14.046 2.391 1.00 3.53 H new ATOM 0 HH12 ARG A 63 -2.121 14.636 3.973 1.00 3.53 H new ATOM 0 HH21 ARG A 63 -0.215 17.600 3.791 1.00 4.21 H new ATOM 0 HH22 ARG A 63 -1.337 16.643 4.764 1.00 4.21 H new ATOM 976 N TYR A 64 1.559 11.369 -2.278 1.00 0.96 N ATOM 977 CA TYR A 64 1.980 10.427 -3.307 1.00 0.91 C ATOM 978 C TYR A 64 1.460 10.836 -4.678 1.00 0.89 C ATOM 979 O TYR A 64 0.286 11.167 -4.842 1.00 0.94 O ATOM 980 CB TYR A 64 1.532 8.993 -2.971 1.00 0.92 C ATOM 981 CG TYR A 64 0.031 8.797 -2.854 1.00 0.97 C ATOM 982 CD1 TYR A 64 -0.756 8.564 -3.979 1.00 1.06 C ATOM 983 CD2 TYR A 64 -0.599 8.840 -1.618 1.00 1.02 C ATOM 984 CE1 TYR A 64 -2.121 8.386 -3.871 1.00 1.18 C ATOM 985 CE2 TYR A 64 -1.963 8.661 -1.503 1.00 1.14 C ATOM 986 CZ TYR A 64 -2.721 8.433 -2.631 1.00 1.20 C ATOM 987 OH TYR A 64 -4.082 8.262 -2.521 1.00 1.37 O ATOM 0 H TYR A 64 0.552 11.523 -2.226 1.00 0.96 H new ATOM 0 HA TYR A 64 3.069 10.446 -3.335 1.00 0.91 H new ATOM 0 HB2 TYR A 64 1.911 8.321 -3.741 1.00 0.92 H new ATOM 0 HB3 TYR A 64 1.996 8.695 -2.031 1.00 0.92 H new ATOM 0 HD1 TYR A 64 -0.291 8.522 -4.953 1.00 1.06 H new ATOM 0 HD2 TYR A 64 -0.011 9.017 -0.729 1.00 1.02 H new ATOM 0 HE1 TYR A 64 -2.716 8.211 -4.755 1.00 1.18 H new ATOM 0 HE2 TYR A 64 -2.434 8.700 -0.532 1.00 1.14 H new ATOM 0 HH TYR A 64 -4.398 7.678 -3.242 1.00 1.37 H new ATOM 997 N GLN A 65 2.356 10.856 -5.648 1.00 0.90 N ATOM 998 CA GLN A 65 1.975 11.046 -7.036 1.00 0.93 C ATOM 999 C GLN A 65 2.130 9.728 -7.781 1.00 0.87 C ATOM 1000 O GLN A 65 3.242 9.231 -7.951 1.00 0.86 O ATOM 1001 CB GLN A 65 2.830 12.138 -7.684 1.00 1.03 C ATOM 1002 CG GLN A 65 2.613 13.511 -7.068 1.00 1.59 C ATOM 1003 CD GLN A 65 3.500 14.579 -7.678 1.00 2.07 C ATOM 1004 OE1 GLN A 65 4.620 14.309 -8.112 1.00 2.64 O ATOM 1005 NE2 GLN A 65 2.999 15.805 -7.721 1.00 2.63 N ATOM 0 H GLN A 65 3.359 10.742 -5.499 1.00 0.90 H new ATOM 0 HA GLN A 65 0.934 11.366 -7.085 1.00 0.93 H new ATOM 0 HB2 GLN A 65 3.882 11.868 -7.594 1.00 1.03 H new ATOM 0 HB3 GLN A 65 2.603 12.184 -8.749 1.00 1.03 H new ATOM 0 HG2 GLN A 65 1.569 13.798 -7.192 1.00 1.59 H new ATOM 0 HG3 GLN A 65 2.803 13.457 -5.996 1.00 1.59 H new ATOM 0 HE21 GLN A 65 2.066 15.988 -7.351 1.00 2.63 H new ATOM 0 HE22 GLN A 65 3.546 16.566 -8.124 1.00 2.63 H new ATOM 1014 N ILE A 66 1.015 9.158 -8.207 1.00 0.88 N ATOM 1015 CA ILE A 66 1.022 7.832 -8.802 1.00 0.86 C ATOM 1016 C ILE A 66 0.593 7.875 -10.268 1.00 0.98 C ATOM 1017 O ILE A 66 -0.429 8.471 -10.619 1.00 1.11 O ATOM 1018 CB ILE A 66 0.120 6.858 -8.001 1.00 0.92 C ATOM 1019 CG1 ILE A 66 0.103 5.473 -8.659 1.00 1.02 C ATOM 1020 CG2 ILE A 66 -1.293 7.412 -7.860 1.00 1.28 C ATOM 1021 CD1 ILE A 66 -0.722 4.450 -7.908 1.00 1.13 C ATOM 0 H ILE A 66 0.094 9.593 -8.152 1.00 0.88 H new ATOM 0 HA ILE A 66 2.047 7.463 -8.763 1.00 0.86 H new ATOM 0 HB ILE A 66 0.538 6.754 -7.000 1.00 0.92 H new ATOM 0 HG12 ILE A 66 -0.287 5.567 -9.672 1.00 1.02 H new ATOM 0 HG13 ILE A 66 1.127 5.109 -8.744 1.00 1.02 H new ATOM 0 HG21 ILE A 66 -1.905 6.709 -7.294 1.00 1.28 H new ATOM 0 HG22 ILE A 66 -1.259 8.367 -7.336 1.00 1.28 H new ATOM 0 HG23 ILE A 66 -1.728 7.557 -8.849 1.00 1.28 H new ATOM 0 HD11 ILE A 66 -0.686 3.496 -8.434 1.00 1.13 H new ATOM 0 HD12 ILE A 66 -0.320 4.325 -6.903 1.00 1.13 H new ATOM 0 HD13 ILE A 66 -1.755 4.791 -7.846 1.00 1.13 H new ATOM 1033 N ASP A 67 1.389 7.255 -11.121 1.00 1.04 N ATOM 1034 CA ASP A 67 1.092 7.182 -12.543 1.00 1.25 C ATOM 1035 C ASP A 67 1.546 5.836 -13.091 1.00 1.20 C ATOM 1036 O ASP A 67 2.740 5.532 -13.090 1.00 1.13 O ATOM 1037 CB ASP A 67 1.789 8.326 -13.287 1.00 1.45 C ATOM 1038 CG ASP A 67 1.393 8.406 -14.747 1.00 1.82 C ATOM 1039 OD1 ASP A 67 2.022 7.710 -15.576 1.00 2.28 O ATOM 1040 OD2 ASP A 67 0.450 9.154 -15.073 1.00 2.29 O ATOM 0 H ASP A 67 2.256 6.790 -10.851 1.00 1.04 H new ATOM 0 HA ASP A 67 0.017 7.280 -12.692 1.00 1.25 H new ATOM 0 HB2 ASP A 67 1.549 9.270 -12.798 1.00 1.45 H new ATOM 0 HB3 ASP A 67 2.869 8.195 -13.215 1.00 1.45 H new ATOM 1045 N GLY A 68 0.595 5.029 -13.544 1.00 1.28 N ATOM 1046 CA GLY A 68 0.915 3.686 -13.997 1.00 1.30 C ATOM 1047 C GLY A 68 1.436 2.814 -12.869 1.00 1.14 C ATOM 1048 O GLY A 68 0.668 2.377 -12.011 1.00 1.18 O ATOM 0 H GLY A 68 -0.392 5.279 -13.606 1.00 1.28 H new ATOM 0 HA2 GLY A 68 0.025 3.227 -14.428 1.00 1.30 H new ATOM 0 HA3 GLY A 68 1.662 3.739 -14.789 1.00 1.30 H new ATOM 1052 N ASN A 69 2.744 2.590 -12.854 1.00 1.03 N ATOM 1053 CA ASN A 69 3.392 1.846 -11.778 1.00 0.94 C ATOM 1054 C ASN A 69 4.473 2.705 -11.141 1.00 0.75 C ATOM 1055 O ASN A 69 5.317 2.218 -10.392 1.00 0.69 O ATOM 1056 CB ASN A 69 4.004 0.532 -12.281 1.00 1.06 C ATOM 1057 CG ASN A 69 3.026 -0.634 -12.263 1.00 1.67 C ATOM 1058 OD1 ASN A 69 1.828 -0.467 -12.491 1.00 2.35 O ATOM 1059 ND2 ASN A 69 3.530 -1.827 -11.971 1.00 2.29 N ATOM 0 H ASN A 69 3.382 2.915 -13.580 1.00 1.03 H new ATOM 0 HA ASN A 69 2.630 1.597 -11.039 1.00 0.94 H new ATOM 0 HB2 ASN A 69 4.369 0.675 -13.298 1.00 1.06 H new ATOM 0 HB3 ASN A 69 4.868 0.282 -11.665 1.00 1.06 H new ATOM 0 HD21 ASN A 69 2.919 -2.643 -11.930 1.00 2.29 H new ATOM 0 HD22 ASN A 69 4.528 -1.928 -11.788 1.00 2.29 H new ATOM 1066 N THR A 70 4.438 3.992 -11.446 1.00 0.74 N ATOM 1067 CA THR A 70 5.405 4.935 -10.914 1.00 0.68 C ATOM 1068 C THR A 70 4.776 5.756 -9.794 1.00 0.63 C ATOM 1069 O THR A 70 3.710 6.348 -9.966 1.00 0.71 O ATOM 1070 CB THR A 70 5.935 5.877 -12.018 1.00 0.85 C ATOM 1071 OG1 THR A 70 6.549 5.105 -13.060 1.00 0.97 O ATOM 1072 CG2 THR A 70 6.944 6.872 -11.452 1.00 0.89 C ATOM 0 H THR A 70 3.743 4.409 -12.065 1.00 0.74 H new ATOM 0 HA THR A 70 6.246 4.365 -10.518 1.00 0.68 H new ATOM 0 HB THR A 70 5.092 6.437 -12.424 1.00 0.85 H new ATOM 0 HG1 THR A 70 6.882 5.706 -13.759 1.00 0.97 H new ATOM 0 HG21 THR A 70 7.301 7.523 -12.251 1.00 0.89 H new ATOM 0 HG22 THR A 70 6.467 7.474 -10.679 1.00 0.89 H new ATOM 0 HG23 THR A 70 7.786 6.331 -11.021 1.00 0.89 H new ATOM 1080 N VAL A 71 5.435 5.766 -8.646 1.00 0.56 N ATOM 1081 CA VAL A 71 4.949 6.484 -7.481 1.00 0.58 C ATOM 1082 C VAL A 71 6.020 7.436 -6.973 1.00 0.57 C ATOM 1083 O VAL A 71 7.122 7.018 -6.621 1.00 0.57 O ATOM 1084 CB VAL A 71 4.553 5.516 -6.343 1.00 0.60 C ATOM 1085 CG1 VAL A 71 3.858 6.267 -5.217 1.00 0.68 C ATOM 1086 CG2 VAL A 71 3.676 4.392 -6.872 1.00 0.65 C ATOM 0 H VAL A 71 6.318 5.278 -8.497 1.00 0.56 H new ATOM 0 HA VAL A 71 4.064 7.043 -7.784 1.00 0.58 H new ATOM 0 HB VAL A 71 5.463 5.070 -5.940 1.00 0.60 H new ATOM 0 HG11 VAL A 71 3.587 5.568 -4.426 1.00 0.68 H new ATOM 0 HG12 VAL A 71 4.530 7.026 -4.816 1.00 0.68 H new ATOM 0 HG13 VAL A 71 2.958 6.747 -5.601 1.00 0.68 H new ATOM 0 HG21 VAL A 71 3.409 3.723 -6.054 1.00 0.65 H new ATOM 0 HG22 VAL A 71 2.769 4.812 -7.307 1.00 0.65 H new ATOM 0 HG23 VAL A 71 4.220 3.834 -7.634 1.00 0.65 H new ATOM 1096 N THR A 72 5.701 8.714 -6.950 1.00 0.63 N ATOM 1097 CA THR A 72 6.635 9.722 -6.491 1.00 0.66 C ATOM 1098 C THR A 72 6.174 10.295 -5.154 1.00 0.70 C ATOM 1099 O THR A 72 5.100 10.895 -5.061 1.00 0.78 O ATOM 1100 CB THR A 72 6.768 10.857 -7.528 1.00 0.75 C ATOM 1101 OG1 THR A 72 7.151 10.312 -8.801 1.00 0.76 O ATOM 1102 CG2 THR A 72 7.797 11.890 -7.087 1.00 0.80 C ATOM 0 H THR A 72 4.796 9.081 -7.246 1.00 0.63 H new ATOM 0 HA THR A 72 7.610 9.252 -6.363 1.00 0.66 H new ATOM 0 HB THR A 72 5.800 11.351 -7.613 1.00 0.75 H new ATOM 0 HG1 THR A 72 7.232 11.036 -9.456 1.00 0.76 H new ATOM 0 HG21 THR A 72 7.868 12.677 -7.838 1.00 0.80 H new ATOM 0 HG22 THR A 72 7.492 12.324 -6.135 1.00 0.80 H new ATOM 0 HG23 THR A 72 8.769 11.410 -6.972 1.00 0.80 H new ATOM 1110 N VAL A 73 6.972 10.079 -4.120 1.00 0.70 N ATOM 1111 CA VAL A 73 6.669 10.605 -2.802 1.00 0.76 C ATOM 1112 C VAL A 73 7.102 12.061 -2.728 1.00 0.90 C ATOM 1113 O VAL A 73 8.271 12.378 -2.946 1.00 1.01 O ATOM 1114 CB VAL A 73 7.379 9.800 -1.694 1.00 0.79 C ATOM 1115 CG1 VAL A 73 6.967 10.296 -0.320 1.00 0.89 C ATOM 1116 CG2 VAL A 73 7.089 8.314 -1.843 1.00 0.75 C ATOM 0 H VAL A 73 7.837 9.541 -4.171 1.00 0.70 H new ATOM 0 HA VAL A 73 5.594 10.523 -2.643 1.00 0.76 H new ATOM 0 HB VAL A 73 8.454 9.949 -1.798 1.00 0.79 H new ATOM 0 HG11 VAL A 73 7.480 9.714 0.446 1.00 0.89 H new ATOM 0 HG12 VAL A 73 7.235 11.347 -0.217 1.00 0.89 H new ATOM 0 HG13 VAL A 73 5.889 10.183 -0.200 1.00 0.89 H new ATOM 0 HG21 VAL A 73 7.598 7.763 -1.053 1.00 0.75 H new ATOM 0 HG22 VAL A 73 6.015 8.144 -1.770 1.00 0.75 H new ATOM 0 HG23 VAL A 73 7.446 7.969 -2.814 1.00 0.75 H new ATOM 1126 N THR A 74 6.165 12.943 -2.429 1.00 0.97 N ATOM 1127 CA THR A 74 6.435 14.367 -2.459 1.00 1.15 C ATOM 1128 C THR A 74 5.837 15.059 -1.238 1.00 1.11 C ATOM 1129 O THR A 74 5.013 14.485 -0.524 1.00 0.99 O ATOM 1130 CB THR A 74 5.874 14.994 -3.757 1.00 1.38 C ATOM 1131 OG1 THR A 74 6.231 16.380 -3.841 1.00 1.87 O ATOM 1132 CG2 THR A 74 4.359 14.850 -3.821 1.00 1.47 C ATOM 0 H THR A 74 5.211 12.697 -2.163 1.00 0.97 H new ATOM 0 HA THR A 74 7.516 14.509 -2.438 1.00 1.15 H new ATOM 0 HB THR A 74 6.312 14.461 -4.601 1.00 1.38 H new ATOM 0 HG1 THR A 74 5.870 16.761 -4.669 1.00 1.87 H new ATOM 0 HG21 THR A 74 3.989 15.299 -4.743 1.00 1.47 H new ATOM 0 HG22 THR A 74 4.093 13.793 -3.800 1.00 1.47 H new ATOM 0 HG23 THR A 74 3.909 15.355 -2.966 1.00 1.47 H new