USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.0185 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -170:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.000258 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -116:sc= 1.25 (180deg=-0.483) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 155:sc= -0.0111 (180deg=-0.764) USER MOD Single : A 66 GLN : amide:sc= -0.55 K(o=-0.55,f=-9.5!) USER MOD Single : A 70 SER OG : rot -154:sc= 1.32 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0567 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.824 K(o=-0.82,f=-1.6!) USER MOD Single : A 105 THR OG1 : rot -32:sc= 0.335 USER MOD Single : A 110 SER OG : rot 180:sc= 0.0859 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.773 -18.383 12.051 1.00 55.11 N ATOM 2 CA GLY A 1 -9.564 -16.975 12.391 1.00 0.31 C ATOM 3 C GLY A 1 -10.569 -16.124 11.641 1.00 11.31 C ATOM 4 O GLY A 1 -11.748 -16.477 11.581 1.00 41.24 O ATOM 0 H1 GLY A 1 -9.547 -18.976 12.875 1.00 55.11 H new ATOM 0 H2 GLY A 1 -10.766 -18.531 11.780 1.00 55.11 H new ATOM 0 H3 GLY A 1 -9.155 -18.644 11.256 1.00 55.11 H new ATOM 0 HA2 GLY A 1 -9.676 -16.828 13.465 1.00 0.31 H new ATOM 0 HA3 GLY A 1 -8.549 -16.673 12.132 1.00 0.31 H new ATOM 8 N MET A 2 -10.128 -15.014 11.043 1.00 72.41 N ATOM 9 CA MET A 2 -10.906 -14.305 10.024 1.00 3.33 C ATOM 10 C MET A 2 -10.624 -14.920 8.648 1.00 75.15 C ATOM 11 O MET A 2 -9.739 -15.772 8.520 1.00 75.12 O ATOM 12 CB MET A 2 -10.613 -12.792 10.065 1.00 54.55 C ATOM 13 CG MET A 2 -9.138 -12.381 9.929 1.00 32.42 C ATOM 14 SD MET A 2 -8.383 -12.651 8.298 1.00 33.21 S ATOM 15 CE MET A 2 -6.692 -12.111 8.663 1.00 43.15 C ATOM 0 H MET A 2 -9.227 -14.584 11.250 1.00 72.41 H new ATOM 0 HA MET A 2 -11.970 -14.418 10.230 1.00 3.33 H new ATOM 0 HB2 MET A 2 -11.177 -12.312 9.265 1.00 54.55 H new ATOM 0 HB3 MET A 2 -10.994 -12.395 11.006 1.00 54.55 H new ATOM 0 HG2 MET A 2 -9.052 -11.323 10.177 1.00 32.42 H new ATOM 0 HG3 MET A 2 -8.558 -12.930 10.671 1.00 32.42 H new ATOM 0 HE1 MET A 2 -6.078 -12.208 7.768 1.00 43.15 H new ATOM 0 HE2 MET A 2 -6.704 -11.069 8.984 1.00 43.15 H new ATOM 0 HE3 MET A 2 -6.276 -12.731 9.457 1.00 43.15 H new ATOM 23 N LEU A 3 -11.341 -14.477 7.612 1.00 71.23 N ATOM 24 CA LEU A 3 -11.018 -14.766 6.217 1.00 72.45 C ATOM 25 C LEU A 3 -11.345 -13.555 5.346 1.00 4.11 C ATOM 26 O LEU A 3 -12.215 -13.587 4.473 1.00 3.51 O ATOM 27 CB LEU A 3 -11.738 -16.041 5.759 1.00 52.44 C ATOM 28 CG LEU A 3 -10.927 -16.874 4.745 1.00 11.44 C ATOM 29 CD1 LEU A 3 -10.311 -16.073 3.588 1.00 35.32 C ATOM 30 CD2 LEU A 3 -9.817 -17.627 5.474 1.00 75.44 C ATOM 0 H LEU A 3 -12.174 -13.899 7.723 1.00 71.23 H new ATOM 0 HA LEU A 3 -9.949 -14.955 6.115 1.00 72.45 H new ATOM 0 HB2 LEU A 3 -11.958 -16.658 6.630 1.00 52.44 H new ATOM 0 HB3 LEU A 3 -12.694 -15.768 5.312 1.00 52.44 H new ATOM 0 HG LEU A 3 -11.647 -17.553 4.289 1.00 11.44 H new ATOM 0 HD11 LEU A 3 -9.762 -16.747 2.931 1.00 35.32 H new ATOM 0 HD12 LEU A 3 -11.103 -15.581 3.023 1.00 35.32 H new ATOM 0 HD13 LEU A 3 -9.630 -15.321 3.988 1.00 35.32 H new ATOM 0 HD21 LEU A 3 -9.245 -18.215 4.757 1.00 75.44 H new ATOM 0 HD22 LEU A 3 -9.157 -16.914 5.967 1.00 75.44 H new ATOM 0 HD23 LEU A 3 -10.256 -18.290 6.219 1.00 75.44 H new ATOM 41 N LEU A 4 -10.696 -12.443 5.655 1.00 12.33 N ATOM 42 CA LEU A 4 -10.802 -11.230 4.856 1.00 53.54 C ATOM 43 C LEU A 4 -10.060 -11.438 3.534 1.00 61.21 C ATOM 44 O LEU A 4 -9.107 -12.223 3.479 1.00 34.04 O ATOM 45 CB LEU A 4 -10.229 -10.057 5.658 1.00 61.25 C ATOM 46 CG LEU A 4 -11.202 -9.595 6.762 1.00 32.03 C ATOM 47 CD1 LEU A 4 -10.495 -8.985 7.978 1.00 32.12 C ATOM 48 CD2 LEU A 4 -12.178 -8.572 6.177 1.00 44.52 C ATOM 0 H LEU A 4 -10.082 -12.355 6.465 1.00 12.33 H new ATOM 0 HA LEU A 4 -11.842 -11.003 4.624 1.00 53.54 H new ATOM 0 HB2 LEU A 4 -9.281 -10.352 6.108 1.00 61.25 H new ATOM 0 HB3 LEU A 4 -10.018 -9.225 4.986 1.00 61.25 H new ATOM 0 HG LEU A 4 -11.727 -10.482 7.115 1.00 32.03 H new ATOM 0 HD11 LEU A 4 -11.237 -8.681 8.716 1.00 32.12 H new ATOM 0 HD12 LEU A 4 -9.826 -9.724 8.419 1.00 32.12 H new ATOM 0 HD13 LEU A 4 -9.918 -8.115 7.665 1.00 32.12 H new ATOM 0 HD21 LEU A 4 -12.868 -8.242 6.954 1.00 44.52 H new ATOM 0 HD22 LEU A 4 -11.622 -7.715 5.797 1.00 44.52 H new ATOM 0 HD23 LEU A 4 -12.740 -9.030 5.363 1.00 44.52 H new ATOM 59 N SER A 5 -10.482 -10.720 2.492 1.00 3.33 N ATOM 60 CA SER A 5 -9.921 -10.827 1.147 1.00 13.11 C ATOM 61 C SER A 5 -9.312 -9.478 0.741 1.00 63.23 C ATOM 62 O SER A 5 -9.715 -8.458 1.309 1.00 34.23 O ATOM 63 CB SER A 5 -11.017 -11.283 0.174 1.00 72.23 C ATOM 64 OG SER A 5 -11.811 -12.344 0.688 1.00 43.45 O ATOM 0 H SER A 5 -11.236 -10.037 2.562 1.00 3.33 H new ATOM 0 HA SER A 5 -9.125 -11.571 1.122 1.00 13.11 H new ATOM 0 HB2 SER A 5 -11.661 -10.436 -0.061 1.00 72.23 H new ATOM 0 HB3 SER A 5 -10.555 -11.602 -0.761 1.00 72.23 H new ATOM 0 HG SER A 5 -12.492 -12.592 0.029 1.00 43.45 H new ATOM 69 N THR A 6 -8.403 -9.433 -0.240 1.00 2.33 N ATOM 70 CA THR A 6 -7.617 -8.227 -0.509 1.00 53.45 C ATOM 71 C THR A 6 -8.532 -7.067 -0.920 1.00 71.35 C ATOM 72 O THR A 6 -8.388 -5.952 -0.412 1.00 74.35 O ATOM 73 CB THR A 6 -6.462 -8.501 -1.500 1.00 54.51 C ATOM 74 OG1 THR A 6 -5.827 -9.722 -1.174 1.00 11.40 O ATOM 75 CG2 THR A 6 -5.407 -7.390 -1.459 1.00 41.24 C ATOM 0 H THR A 6 -8.195 -10.217 -0.859 1.00 2.33 H new ATOM 0 HA THR A 6 -7.126 -7.916 0.413 1.00 53.45 H new ATOM 0 HB THR A 6 -6.896 -8.544 -2.499 1.00 54.51 H new ATOM 0 HG1 THR A 6 -5.005 -9.814 -1.700 1.00 11.40 H new ATOM 0 HG21 THR A 6 -4.611 -7.617 -2.168 1.00 41.24 H new ATOM 0 HG22 THR A 6 -5.869 -6.439 -1.725 1.00 41.24 H new ATOM 0 HG23 THR A 6 -4.989 -7.322 -0.455 1.00 41.24 H new ATOM 83 N ASP A 7 -9.539 -7.352 -1.753 1.00 60.02 N ATOM 84 CA ASP A 7 -10.571 -6.392 -2.156 1.00 53.31 C ATOM 85 C ASP A 7 -11.291 -5.779 -0.959 1.00 54.21 C ATOM 86 O ASP A 7 -11.578 -4.586 -0.961 1.00 44.44 O ATOM 87 CB ASP A 7 -11.558 -7.117 -3.072 1.00 11.24 C ATOM 88 CG ASP A 7 -12.584 -6.264 -3.825 1.00 32.03 C ATOM 89 OD1 ASP A 7 -12.477 -5.022 -3.983 1.00 54.24 O ATOM 90 OD2 ASP A 7 -13.459 -6.918 -4.435 1.00 51.41 O ATOM 0 H ASP A 7 -9.661 -8.273 -2.173 1.00 60.02 H new ATOM 0 HA ASP A 7 -10.099 -5.562 -2.682 1.00 53.31 H new ATOM 0 HB2 ASP A 7 -10.983 -7.679 -3.808 1.00 11.24 H new ATOM 0 HB3 ASP A 7 -12.103 -7.845 -2.470 1.00 11.24 H new ATOM 94 N ILE A 8 -11.535 -6.566 0.090 1.00 71.03 N ATOM 95 CA ILE A 8 -12.314 -6.148 1.249 1.00 22.42 C ATOM 96 C ILE A 8 -11.574 -5.054 2.027 1.00 23.30 C ATOM 97 O ILE A 8 -12.189 -4.087 2.491 1.00 21.24 O ATOM 98 CB ILE A 8 -12.640 -7.335 2.166 1.00 31.12 C ATOM 99 CG1 ILE A 8 -13.307 -8.502 1.426 1.00 3.50 C ATOM 100 CG2 ILE A 8 -13.539 -6.837 3.305 1.00 24.13 C ATOM 101 CD1 ILE A 8 -14.746 -8.292 0.964 1.00 40.43 C ATOM 0 H ILE A 8 -11.191 -7.524 0.156 1.00 71.03 H new ATOM 0 HA ILE A 8 -13.258 -5.742 0.886 1.00 22.42 H new ATOM 0 HB ILE A 8 -11.701 -7.727 2.558 1.00 31.12 H new ATOM 0 HG12 ILE A 8 -12.701 -8.740 0.552 1.00 3.50 H new ATOM 0 HG13 ILE A 8 -13.284 -9.375 2.078 1.00 3.50 H new ATOM 0 HG21 ILE A 8 -13.781 -7.668 3.967 1.00 24.13 H new ATOM 0 HG22 ILE A 8 -13.017 -6.064 3.869 1.00 24.13 H new ATOM 0 HG23 ILE A 8 -14.458 -6.425 2.889 1.00 24.13 H new ATOM 0 HD11 ILE A 8 -15.100 -9.189 0.456 1.00 40.43 H new ATOM 0 HD12 ILE A 8 -15.380 -8.091 1.828 1.00 40.43 H new ATOM 0 HD13 ILE A 8 -14.788 -7.446 0.278 1.00 40.43 H new ATOM 112 N TRP A 9 -10.268 -5.236 2.234 1.00 33.20 N ATOM 113 CA TRP A 9 -9.476 -4.272 2.980 1.00 33.41 C ATOM 114 C TRP A 9 -9.323 -2.992 2.177 1.00 63.31 C ATOM 115 O TRP A 9 -9.552 -1.914 2.729 1.00 22.42 O ATOM 116 CB TRP A 9 -8.090 -4.816 3.295 1.00 41.23 C ATOM 117 CG TRP A 9 -8.032 -6.023 4.174 1.00 33.21 C ATOM 118 CD1 TRP A 9 -8.675 -6.195 5.349 1.00 4.31 C ATOM 119 CD2 TRP A 9 -7.279 -7.244 3.940 1.00 74.44 C ATOM 120 NE1 TRP A 9 -8.334 -7.430 5.869 1.00 14.32 N ATOM 121 CE2 TRP A 9 -7.472 -8.119 5.042 1.00 51.53 C ATOM 122 CE3 TRP A 9 -6.458 -7.696 2.893 1.00 4.12 C ATOM 123 CZ2 TRP A 9 -6.870 -9.383 5.111 1.00 64.22 C ATOM 124 CZ3 TRP A 9 -5.879 -8.978 2.922 1.00 12.20 C ATOM 125 CH2 TRP A 9 -6.084 -9.817 4.032 1.00 31.41 C ATOM 0 H TRP A 9 -9.743 -6.042 1.894 1.00 33.20 H new ATOM 0 HA TRP A 9 -9.999 -4.073 3.915 1.00 33.41 H new ATOM 0 HB2 TRP A 9 -7.595 -5.055 2.354 1.00 41.23 H new ATOM 0 HB3 TRP A 9 -7.511 -4.022 3.767 1.00 41.23 H new ATOM 0 HD1 TRP A 9 -9.346 -5.484 5.808 1.00 4.31 H new ATOM 0 HE1 TRP A 9 -8.679 -7.789 6.759 1.00 14.32 H new ATOM 0 HE3 TRP A 9 -6.268 -7.047 2.051 1.00 4.12 H new ATOM 0 HZ2 TRP A 9 -7.008 -10.011 5.978 1.00 64.22 H new ATOM 0 HZ3 TRP A 9 -5.277 -9.318 2.092 1.00 12.20 H new ATOM 0 HH2 TRP A 9 -5.635 -10.799 4.054 1.00 31.41 H new ATOM 135 N VAL A 10 -8.945 -3.116 0.897 1.00 42.53 N ATOM 136 CA VAL A 10 -8.756 -1.976 0.009 1.00 13.52 C ATOM 137 C VAL A 10 -10.061 -1.179 -0.060 1.00 63.24 C ATOM 138 O VAL A 10 -10.023 0.046 0.038 1.00 20.04 O ATOM 139 CB VAL A 10 -8.249 -2.431 -1.377 1.00 3.11 C ATOM 140 CG1 VAL A 10 -8.102 -1.232 -2.333 1.00 60.04 C ATOM 141 CG2 VAL A 10 -6.872 -3.108 -1.270 1.00 43.55 C ATOM 0 H VAL A 10 -8.763 -4.016 0.453 1.00 42.53 H new ATOM 0 HA VAL A 10 -7.982 -1.318 0.403 1.00 13.52 H new ATOM 0 HB VAL A 10 -8.986 -3.135 -1.763 1.00 3.11 H new ATOM 0 HG11 VAL A 10 -7.744 -1.581 -3.302 1.00 60.04 H new ATOM 0 HG12 VAL A 10 -9.069 -0.745 -2.458 1.00 60.04 H new ATOM 0 HG13 VAL A 10 -7.389 -0.520 -1.917 1.00 60.04 H new ATOM 0 HG21 VAL A 10 -6.541 -3.418 -2.261 1.00 43.55 H new ATOM 0 HG22 VAL A 10 -6.153 -2.405 -0.850 1.00 43.55 H new ATOM 0 HG23 VAL A 10 -6.946 -3.982 -0.623 1.00 43.55 H new ATOM 151 N ALA A 11 -11.210 -1.860 -0.146 1.00 75.23 N ATOM 152 CA ALA A 11 -12.516 -1.228 -0.194 1.00 11.21 C ATOM 153 C ALA A 11 -12.712 -0.261 0.971 1.00 73.45 C ATOM 154 O ALA A 11 -13.113 0.885 0.766 1.00 62.42 O ATOM 155 CB ALA A 11 -13.616 -2.303 -0.162 1.00 4.32 C ATOM 0 H ALA A 11 -11.250 -2.879 -0.184 1.00 75.23 H new ATOM 0 HA ALA A 11 -12.580 -0.659 -1.122 1.00 11.21 H new ATOM 0 HB1 ALA A 11 -14.594 -1.824 -0.198 1.00 4.32 H new ATOM 0 HB2 ALA A 11 -13.504 -2.964 -1.021 1.00 4.32 H new ATOM 0 HB3 ALA A 11 -13.530 -2.884 0.756 1.00 4.32 H new ATOM 161 N ALA A 12 -12.452 -0.725 2.195 1.00 64.12 N ATOM 162 CA ALA A 12 -12.628 0.093 3.379 1.00 1.30 C ATOM 163 C ALA A 12 -11.578 1.193 3.443 1.00 1.41 C ATOM 164 O ALA A 12 -11.949 2.343 3.626 1.00 61.31 O ATOM 165 CB ALA A 12 -12.569 -0.775 4.635 1.00 61.04 C ATOM 0 H ALA A 12 -12.117 -1.670 2.384 1.00 64.12 H new ATOM 0 HA ALA A 12 -13.609 0.566 3.324 1.00 1.30 H new ATOM 0 HB1 ALA A 12 -12.703 -0.148 5.517 1.00 61.04 H new ATOM 0 HB2 ALA A 12 -13.361 -1.523 4.598 1.00 61.04 H new ATOM 0 HB3 ALA A 12 -11.601 -1.274 4.687 1.00 61.04 H new ATOM 171 N LEU A 13 -10.295 0.859 3.287 1.00 42.14 N ATOM 172 CA LEU A 13 -9.134 1.738 3.222 1.00 0.22 C ATOM 173 C LEU A 13 -9.419 2.933 2.318 1.00 20.10 C ATOM 174 O LEU A 13 -9.283 4.066 2.768 1.00 34.24 O ATOM 175 CB LEU A 13 -7.918 0.909 2.756 1.00 55.12 C ATOM 176 CG LEU A 13 -6.769 1.730 2.139 1.00 1.30 C ATOM 177 CD1 LEU A 13 -6.106 2.619 3.191 1.00 71.05 C ATOM 178 CD2 LEU A 13 -5.742 0.768 1.541 1.00 23.21 C ATOM 0 H LEU A 13 -10.023 -0.120 3.195 1.00 42.14 H new ATOM 0 HA LEU A 13 -8.908 2.150 4.205 1.00 0.22 H new ATOM 0 HB2 LEU A 13 -7.529 0.351 3.608 1.00 55.12 H new ATOM 0 HB3 LEU A 13 -8.256 0.177 2.023 1.00 55.12 H new ATOM 0 HG LEU A 13 -7.171 2.378 1.360 1.00 1.30 H new ATOM 0 HD11 LEU A 13 -5.299 3.188 2.730 1.00 71.05 H new ATOM 0 HD12 LEU A 13 -6.844 3.306 3.604 1.00 71.05 H new ATOM 0 HD13 LEU A 13 -5.702 1.998 3.990 1.00 71.05 H new ATOM 0 HD21 LEU A 13 -4.923 1.337 1.101 1.00 23.21 H new ATOM 0 HD22 LEU A 13 -5.352 0.119 2.325 1.00 23.21 H new ATOM 0 HD23 LEU A 13 -6.217 0.161 0.770 1.00 23.21 H new ATOM 189 N ILE A 14 -9.842 2.701 1.080 1.00 14.31 N ATOM 190 CA ILE A 14 -10.190 3.773 0.163 1.00 75.24 C ATOM 191 C ILE A 14 -11.348 4.580 0.745 1.00 20.43 C ATOM 192 O ILE A 14 -11.255 5.808 0.826 1.00 23.44 O ATOM 193 CB ILE A 14 -10.478 3.167 -1.224 1.00 43.14 C ATOM 194 CG1 ILE A 14 -9.180 2.619 -1.863 1.00 43.11 C ATOM 195 CG2 ILE A 14 -11.167 4.155 -2.182 1.00 0.54 C ATOM 196 CD1 ILE A 14 -8.079 3.657 -2.087 1.00 35.30 C ATOM 0 H ILE A 14 -9.952 1.766 0.688 1.00 14.31 H new ATOM 0 HA ILE A 14 -9.367 4.476 0.032 1.00 75.24 H new ATOM 0 HB ILE A 14 -11.176 2.345 -1.061 1.00 43.14 H new ATOM 0 HG12 ILE A 14 -8.787 1.826 -1.227 1.00 43.11 H new ATOM 0 HG13 ILE A 14 -9.429 2.164 -2.822 1.00 43.11 H new ATOM 0 HG21 ILE A 14 -11.343 3.669 -3.142 1.00 0.54 H new ATOM 0 HG22 ILE A 14 -12.119 4.471 -1.756 1.00 0.54 H new ATOM 0 HG23 ILE A 14 -10.528 5.026 -2.328 1.00 0.54 H new ATOM 0 HD11 ILE A 14 -7.211 3.176 -2.538 1.00 35.30 H new ATOM 0 HD12 ILE A 14 -8.446 4.439 -2.751 1.00 35.30 H new ATOM 0 HD13 ILE A 14 -7.794 4.097 -1.131 1.00 35.30 H new ATOM 207 N ARG A 15 -12.415 3.910 1.200 1.00 55.43 N ATOM 208 CA ARG A 15 -13.613 4.644 1.606 1.00 62.02 C ATOM 209 C ARG A 15 -13.328 5.544 2.821 1.00 53.52 C ATOM 210 O ARG A 15 -13.938 6.603 2.948 1.00 55.24 O ATOM 211 CB ARG A 15 -14.868 3.748 1.692 1.00 75.24 C ATOM 212 CG ARG A 15 -15.182 3.255 3.088 1.00 73.03 C ATOM 213 CD ARG A 15 -16.131 4.198 3.854 1.00 12.21 C ATOM 214 NE ARG A 15 -17.282 3.482 4.434 1.00 31.30 N ATOM 215 CZ ARG A 15 -18.219 4.006 5.227 1.00 40.44 C ATOM 216 NH1 ARG A 15 -18.186 5.297 5.556 1.00 12.31 N ATOM 217 NH2 ARG A 15 -19.198 3.241 5.697 1.00 14.44 N ATOM 0 H ARG A 15 -12.472 2.896 1.293 1.00 55.43 H new ATOM 0 HA ARG A 15 -13.881 5.340 0.811 1.00 62.02 H new ATOM 0 HB2 ARG A 15 -15.725 4.305 1.314 1.00 75.24 H new ATOM 0 HB3 ARG A 15 -14.732 2.888 1.037 1.00 75.24 H new ATOM 0 HG2 ARG A 15 -15.633 2.265 3.026 1.00 73.03 H new ATOM 0 HG3 ARG A 15 -14.253 3.148 3.648 1.00 73.03 H new ATOM 0 HD2 ARG A 15 -15.579 4.698 4.649 1.00 12.21 H new ATOM 0 HD3 ARG A 15 -16.491 4.974 3.179 1.00 12.21 H new ATOM 0 HE ARG A 15 -17.371 2.491 4.208 1.00 31.30 H new ATOM 0 HH11 ARG A 15 -17.440 5.895 5.201 1.00 12.31 H new ATOM 0 HH12 ARG A 15 -18.907 5.687 6.163 1.00 12.31 H new ATOM 0 HH21 ARG A 15 -19.234 2.252 5.452 1.00 14.44 H new ATOM 0 HH22 ARG A 15 -19.913 3.643 6.303 1.00 14.44 H new ATOM 228 N ARG A 16 -12.398 5.161 3.711 1.00 34.03 N ATOM 229 CA ARG A 16 -12.007 5.951 4.882 1.00 52.22 C ATOM 230 C ARG A 16 -10.981 7.022 4.536 1.00 32.10 C ATOM 231 O ARG A 16 -10.983 8.077 5.175 1.00 21.31 O ATOM 232 CB ARG A 16 -11.528 5.045 6.037 1.00 71.23 C ATOM 233 CG ARG A 16 -10.413 4.017 5.769 1.00 55.22 C ATOM 234 CD ARG A 16 -10.509 2.742 6.621 1.00 44.42 C ATOM 235 NE ARG A 16 -10.519 2.965 8.083 1.00 4.40 N ATOM 236 CZ ARG A 16 -9.548 3.416 8.889 1.00 55.53 C ATOM 237 NH1 ARG A 16 -8.353 3.763 8.414 1.00 53.15 N ATOM 238 NH2 ARG A 16 -9.766 3.483 10.201 1.00 63.55 N ATOM 0 H ARG A 16 -11.891 4.279 3.633 1.00 34.03 H new ATOM 0 HA ARG A 16 -12.898 6.476 5.227 1.00 52.22 H new ATOM 0 HB2 ARG A 16 -11.190 5.694 6.845 1.00 71.23 H new ATOM 0 HB3 ARG A 16 -12.396 4.500 6.408 1.00 71.23 H new ATOM 0 HG2 ARG A 16 -10.438 3.738 4.715 1.00 55.22 H new ATOM 0 HG3 ARG A 16 -9.448 4.490 5.951 1.00 55.22 H new ATOM 0 HD2 ARG A 16 -11.417 2.206 6.344 1.00 44.42 H new ATOM 0 HD3 ARG A 16 -9.668 2.094 6.373 1.00 44.42 H new ATOM 0 HE ARG A 16 -11.399 2.742 8.549 1.00 4.40 H new ATOM 0 HH11 ARG A 16 -8.160 3.688 7.415 1.00 53.15 H new ATOM 0 HH12 ARG A 16 -7.631 4.103 9.049 1.00 53.15 H new ATOM 0 HH21 ARG A 16 -10.666 3.192 10.584 1.00 63.55 H new ATOM 0 HH22 ARG A 16 -9.033 3.825 10.823 1.00 63.55 H new ATOM 249 N ALA A 17 -10.120 6.760 3.561 1.00 23.44 N ATOM 250 CA ALA A 17 -9.095 7.673 3.071 1.00 24.23 C ATOM 251 C ALA A 17 -9.714 8.932 2.472 1.00 35.22 C ATOM 252 O ALA A 17 -9.487 10.028 2.983 1.00 55.34 O ATOM 253 CB ALA A 17 -8.230 6.973 2.024 1.00 12.33 C ATOM 0 H ALA A 17 -10.117 5.867 3.069 1.00 23.44 H new ATOM 0 HA ALA A 17 -8.475 7.969 3.918 1.00 24.23 H new ATOM 0 HB1 ALA A 17 -7.467 7.662 1.663 1.00 12.33 H new ATOM 0 HB2 ALA A 17 -7.751 6.102 2.471 1.00 12.33 H new ATOM 0 HB3 ALA A 17 -8.855 6.654 1.190 1.00 12.33 H new ATOM 259 N GLU A 18 -10.503 8.784 1.401 1.00 24.14 N ATOM 260 CA GLU A 18 -11.065 9.913 0.652 1.00 13.30 C ATOM 261 C GLU A 18 -11.957 10.782 1.544 1.00 54.53 C ATOM 262 O GLU A 18 -12.095 11.987 1.334 1.00 71.35 O ATOM 263 CB GLU A 18 -11.887 9.404 -0.537 1.00 12.11 C ATOM 264 CG GLU A 18 -11.037 8.885 -1.705 1.00 15.40 C ATOM 265 CD GLU A 18 -11.899 8.555 -2.927 1.00 41.15 C ATOM 266 OE1 GLU A 18 -12.948 7.887 -2.771 1.00 43.25 O ATOM 267 OE2 GLU A 18 -11.511 8.929 -4.055 1.00 15.20 O ATOM 0 H GLU A 18 -10.770 7.873 1.028 1.00 24.14 H new ATOM 0 HA GLU A 18 -10.232 10.518 0.293 1.00 13.30 H new ATOM 0 HB2 GLU A 18 -12.544 8.604 -0.196 1.00 12.11 H new ATOM 0 HB3 GLU A 18 -12.526 10.211 -0.896 1.00 12.11 H new ATOM 0 HG2 GLU A 18 -10.293 9.634 -1.975 1.00 15.40 H new ATOM 0 HG3 GLU A 18 -10.493 7.994 -1.392 1.00 15.40 H new ATOM 272 N LEU A 19 -12.528 10.178 2.586 1.00 0.34 N ATOM 273 CA LEU A 19 -13.319 10.813 3.636 1.00 62.21 C ATOM 274 C LEU A 19 -12.566 11.951 4.323 1.00 21.31 C ATOM 275 O LEU A 19 -13.154 12.942 4.747 1.00 41.03 O ATOM 276 CB LEU A 19 -13.653 9.714 4.658 1.00 62.11 C ATOM 277 CG LEU A 19 -15.073 9.789 5.209 1.00 52.23 C ATOM 278 CD1 LEU A 19 -15.453 8.420 5.788 1.00 42.33 C ATOM 279 CD2 LEU A 19 -15.234 10.849 6.301 1.00 41.24 C ATOM 0 H LEU A 19 -12.445 9.171 2.727 1.00 0.34 H new ATOM 0 HA LEU A 19 -14.215 11.257 3.203 1.00 62.21 H new ATOM 0 HB2 LEU A 19 -13.507 8.741 4.190 1.00 62.11 H new ATOM 0 HB3 LEU A 19 -12.949 9.778 5.487 1.00 62.11 H new ATOM 0 HG LEU A 19 -15.727 10.070 4.384 1.00 52.23 H new ATOM 0 HD11 LEU A 19 -16.467 8.462 6.185 1.00 42.33 H new ATOM 0 HD12 LEU A 19 -15.402 7.666 5.003 1.00 42.33 H new ATOM 0 HD13 LEU A 19 -14.760 8.158 6.588 1.00 42.33 H new ATOM 0 HD21 LEU A 19 -16.265 10.855 6.653 1.00 41.24 H new ATOM 0 HD22 LEU A 19 -14.568 10.619 7.132 1.00 41.24 H new ATOM 0 HD23 LEU A 19 -14.984 11.830 5.896 1.00 41.24 H new ATOM 290 N GLY A 20 -11.254 11.786 4.439 1.00 15.44 N ATOM 291 CA GLY A 20 -10.329 12.783 4.962 1.00 71.51 C ATOM 292 C GLY A 20 -10.263 14.029 4.079 1.00 31.34 C ATOM 293 O GLY A 20 -10.131 15.142 4.588 1.00 33.31 O ATOM 0 H GLY A 20 -10.788 10.922 4.161 1.00 15.44 H new ATOM 0 HA2 GLY A 20 -10.636 13.069 5.968 1.00 71.51 H new ATOM 0 HA3 GLY A 20 -9.334 12.345 5.045 1.00 71.51 H new ATOM 297 N GLY A 21 -10.397 13.856 2.761 1.00 3.01 N ATOM 298 CA GLY A 21 -10.070 14.867 1.762 1.00 44.35 C ATOM 299 C GLY A 21 -8.758 14.580 1.024 1.00 53.25 C ATOM 300 O GLY A 21 -8.343 15.393 0.195 1.00 53.03 O ATOM 0 H GLY A 21 -10.744 12.988 2.354 1.00 3.01 H new ATOM 0 HA2 GLY A 21 -10.882 14.929 1.037 1.00 44.35 H new ATOM 0 HA3 GLY A 21 -10.001 15.840 2.248 1.00 44.35 H new ATOM 304 N ALA A 22 -8.092 13.451 1.300 1.00 64.43 N ATOM 305 CA ALA A 22 -6.963 12.986 0.495 1.00 74.44 C ATOM 306 C ALA A 22 -7.466 12.464 -0.852 1.00 43.41 C ATOM 307 O ALA A 22 -8.643 12.104 -0.989 1.00 52.13 O ATOM 308 CB ALA A 22 -6.203 11.873 1.231 1.00 75.22 C ATOM 0 H ALA A 22 -8.322 12.840 2.084 1.00 64.43 H new ATOM 0 HA ALA A 22 -6.285 13.823 0.328 1.00 74.44 H new ATOM 0 HB1 ALA A 22 -5.366 11.538 0.619 1.00 75.22 H new ATOM 0 HB2 ALA A 22 -5.828 12.255 2.181 1.00 75.22 H new ATOM 0 HB3 ALA A 22 -6.875 11.035 1.417 1.00 75.22 H new ATOM 314 N PHE A 23 -6.556 12.363 -1.817 1.00 41.24 N ATOM 315 CA PHE A 23 -6.739 11.610 -3.045 1.00 2.23 C ATOM 316 C PHE A 23 -6.213 10.202 -2.768 1.00 11.22 C ATOM 317 O PHE A 23 -5.058 10.043 -2.366 1.00 22.22 O ATOM 318 CB PHE A 23 -5.972 12.315 -4.168 1.00 33.10 C ATOM 319 CG PHE A 23 -6.124 11.720 -5.551 1.00 31.13 C ATOM 320 CD1 PHE A 23 -7.144 12.173 -6.411 1.00 34.03 C ATOM 321 CD2 PHE A 23 -5.178 10.789 -6.019 1.00 0.30 C ATOM 322 CE1 PHE A 23 -7.211 11.702 -7.735 1.00 73.21 C ATOM 323 CE2 PHE A 23 -5.247 10.325 -7.342 1.00 14.30 C ATOM 324 CZ PHE A 23 -6.258 10.782 -8.204 1.00 75.23 C ATOM 0 H PHE A 23 -5.645 12.818 -1.760 1.00 41.24 H new ATOM 0 HA PHE A 23 -7.781 11.548 -3.360 1.00 2.23 H new ATOM 0 HB2 PHE A 23 -6.295 13.355 -4.204 1.00 33.10 H new ATOM 0 HB3 PHE A 23 -4.913 12.319 -3.910 1.00 33.10 H new ATOM 0 HD1 PHE A 23 -7.875 12.883 -6.053 1.00 34.03 H new ATOM 0 HD2 PHE A 23 -4.400 10.432 -5.361 1.00 0.30 H new ATOM 0 HE1 PHE A 23 -7.996 12.048 -8.392 1.00 73.21 H new ATOM 0 HE2 PHE A 23 -4.518 9.612 -7.699 1.00 14.30 H new ATOM 0 HZ PHE A 23 -6.303 10.428 -9.223 1.00 75.23 H new ATOM 333 N ALA A 24 -7.073 9.194 -2.907 1.00 4.14 N ATOM 334 CA ALA A 24 -6.758 7.795 -2.666 1.00 60.11 C ATOM 335 C ALA A 24 -7.465 6.959 -3.729 1.00 75.43 C ATOM 336 O ALA A 24 -8.614 7.262 -4.051 1.00 42.24 O ATOM 337 CB ALA A 24 -7.255 7.424 -1.267 1.00 63.05 C ATOM 0 H ALA A 24 -8.039 9.338 -3.200 1.00 4.14 H new ATOM 0 HA ALA A 24 -5.685 7.611 -2.721 1.00 60.11 H new ATOM 0 HB1 ALA A 24 -7.028 6.377 -1.066 1.00 63.05 H new ATOM 0 HB2 ALA A 24 -6.759 8.051 -0.526 1.00 63.05 H new ATOM 0 HB3 ALA A 24 -8.332 7.579 -1.211 1.00 63.05 H new ATOM 343 N THR A 25 -6.841 5.899 -4.246 1.00 0.13 N ATOM 344 CA THR A 25 -7.487 5.002 -5.196 1.00 21.03 C ATOM 345 C THR A 25 -6.740 3.666 -5.288 1.00 75.15 C ATOM 346 O THR A 25 -5.650 3.481 -4.729 1.00 54.43 O ATOM 347 CB THR A 25 -7.710 5.701 -6.553 1.00 71.31 C ATOM 348 OG1 THR A 25 -8.698 4.995 -7.283 1.00 11.23 O ATOM 349 CG2 THR A 25 -6.428 5.858 -7.357 1.00 35.13 C ATOM 0 H THR A 25 -5.881 5.642 -4.018 1.00 0.13 H new ATOM 0 HA THR A 25 -8.483 4.752 -4.831 1.00 21.03 H new ATOM 0 HB THR A 25 -8.057 6.716 -6.357 1.00 71.31 H new ATOM 0 HG1 THR A 25 -8.845 5.436 -8.146 1.00 11.23 H new ATOM 0 HG21 THR A 25 -6.649 6.356 -8.301 1.00 35.13 H new ATOM 0 HG22 THR A 25 -5.714 6.455 -6.790 1.00 35.13 H new ATOM 0 HG23 THR A 25 -6.001 4.875 -7.557 1.00 35.13 H new ATOM 357 N VAL A 26 -7.369 2.715 -5.972 1.00 51.22 N ATOM 358 CA VAL A 26 -6.784 1.487 -6.464 1.00 23.02 C ATOM 359 C VAL A 26 -6.237 1.773 -7.864 1.00 60.35 C ATOM 360 O VAL A 26 -6.917 2.365 -8.695 1.00 43.44 O ATOM 361 CB VAL A 26 -7.848 0.364 -6.426 1.00 35.21 C ATOM 362 CG1 VAL A 26 -9.225 0.717 -7.010 1.00 22.21 C ATOM 363 CG2 VAL A 26 -7.351 -0.917 -7.107 1.00 74.02 C ATOM 0 H VAL A 26 -8.358 2.792 -6.208 1.00 51.22 H new ATOM 0 HA VAL A 26 -5.958 1.138 -5.845 1.00 23.02 H new ATOM 0 HB VAL A 26 -7.994 0.213 -5.356 1.00 35.21 H new ATOM 0 HG11 VAL A 26 -9.887 -0.145 -6.929 1.00 22.21 H new ATOM 0 HG12 VAL A 26 -9.651 1.554 -6.457 1.00 22.21 H new ATOM 0 HG13 VAL A 26 -9.116 0.993 -8.059 1.00 22.21 H new ATOM 0 HG21 VAL A 26 -8.128 -1.680 -7.058 1.00 74.02 H new ATOM 0 HG22 VAL A 26 -7.114 -0.706 -8.150 1.00 74.02 H new ATOM 0 HG23 VAL A 26 -6.457 -1.277 -6.598 1.00 74.02 H new ATOM 373 N ALA A 27 -5.008 1.329 -8.120 1.00 43.43 N ATOM 374 CA ALA A 27 -4.318 1.378 -9.401 1.00 24.11 C ATOM 375 C ALA A 27 -3.864 -0.025 -9.835 1.00 4.43 C ATOM 376 O ALA A 27 -3.096 -0.157 -10.790 1.00 65.41 O ATOM 377 CB ALA A 27 -3.145 2.360 -9.296 1.00 24.13 C ATOM 0 H ALA A 27 -4.436 0.900 -7.393 1.00 43.43 H new ATOM 0 HA ALA A 27 -4.999 1.733 -10.174 1.00 24.11 H new ATOM 0 HB1 ALA A 27 -2.621 2.404 -10.251 1.00 24.13 H new ATOM 0 HB2 ALA A 27 -3.522 3.351 -9.042 1.00 24.13 H new ATOM 0 HB3 ALA A 27 -2.457 2.024 -8.520 1.00 24.13 H new ATOM 383 N ARG A 28 -4.292 -1.088 -9.132 1.00 24.00 N ATOM 384 CA ARG A 28 -4.189 -2.465 -9.623 1.00 24.20 C ATOM 385 C ARG A 28 -5.023 -3.414 -8.772 1.00 44.43 C ATOM 386 O ARG A 28 -5.106 -3.184 -7.567 1.00 1.31 O ATOM 387 CB ARG A 28 -2.727 -2.919 -9.663 1.00 11.32 C ATOM 388 CG ARG A 28 -2.335 -3.472 -11.032 1.00 61.44 C ATOM 389 CD ARG A 28 -0.814 -3.632 -11.081 1.00 45.42 C ATOM 390 NE ARG A 28 -0.317 -3.707 -12.466 1.00 74.15 N ATOM 391 CZ ARG A 28 0.442 -2.789 -13.075 1.00 31.12 C ATOM 392 NH1 ARG A 28 0.469 -1.535 -12.620 1.00 2.32 N ATOM 393 NH2 ARG A 28 1.170 -3.136 -14.131 1.00 64.22 N ATOM 0 H ARG A 28 -4.718 -1.012 -8.208 1.00 24.00 H new ATOM 0 HA ARG A 28 -4.583 -2.489 -10.639 1.00 24.20 H new ATOM 0 HB2 ARG A 28 -2.080 -2.078 -9.413 1.00 11.32 H new ATOM 0 HB3 ARG A 28 -2.564 -3.684 -8.903 1.00 11.32 H new ATOM 0 HG2 ARG A 28 -2.821 -4.432 -11.205 1.00 61.44 H new ATOM 0 HG3 ARG A 28 -2.669 -2.799 -11.821 1.00 61.44 H new ATOM 0 HD2 ARG A 28 -0.343 -2.792 -10.571 1.00 45.42 H new ATOM 0 HD3 ARG A 28 -0.526 -4.534 -10.542 1.00 45.42 H new ATOM 0 HE ARG A 28 -0.574 -4.532 -13.008 1.00 74.15 H new ATOM 0 HH11 ARG A 28 -0.089 -1.275 -11.807 1.00 2.32 H new ATOM 0 HH12 ARG A 28 1.048 -0.836 -13.085 1.00 2.32 H new ATOM 0 HH21 ARG A 28 1.148 -4.097 -14.472 1.00 64.22 H new ATOM 0 HH22 ARG A 28 1.751 -2.441 -14.600 1.00 64.22 H new ATOM 404 N LYS A 29 -5.542 -4.510 -9.339 1.00 11.32 N ATOM 405 CA LYS A 29 -6.289 -5.540 -8.614 1.00 1.53 C ATOM 406 C LYS A 29 -5.535 -6.863 -8.678 1.00 70.43 C ATOM 407 O LYS A 29 -5.852 -7.729 -9.491 1.00 5.40 O ATOM 408 CB LYS A 29 -7.723 -5.630 -9.157 1.00 54.15 C ATOM 409 CG LYS A 29 -8.557 -6.717 -8.448 1.00 10.23 C ATOM 410 CD LYS A 29 -10.058 -6.568 -8.695 1.00 1.11 C ATOM 411 CE LYS A 29 -10.608 -5.423 -7.845 1.00 0.42 C ATOM 412 NZ LYS A 29 -12.047 -5.213 -8.063 1.00 53.53 N ATOM 0 H LYS A 29 -5.451 -4.708 -10.336 1.00 11.32 H new ATOM 0 HA LYS A 29 -6.373 -5.276 -7.560 1.00 1.53 H new ATOM 0 HB2 LYS A 29 -8.214 -4.664 -9.038 1.00 54.15 H new ATOM 0 HB3 LYS A 29 -7.691 -5.841 -10.226 1.00 54.15 H new ATOM 0 HG2 LYS A 29 -8.233 -7.699 -8.792 1.00 10.23 H new ATOM 0 HG3 LYS A 29 -8.364 -6.675 -7.376 1.00 10.23 H new ATOM 0 HD2 LYS A 29 -10.245 -6.372 -9.751 1.00 1.11 H new ATOM 0 HD3 LYS A 29 -10.571 -7.497 -8.447 1.00 1.11 H new ATOM 0 HE2 LYS A 29 -10.429 -5.636 -6.791 1.00 0.42 H new ATOM 0 HE3 LYS A 29 -10.069 -4.506 -8.081 1.00 0.42 H new ATOM 0 HZ1 LYS A 29 -12.377 -4.428 -7.467 1.00 53.53 H new ATOM 0 HZ2 LYS A 29 -12.217 -4.984 -9.063 1.00 53.53 H new ATOM 0 HZ3 LYS A 29 -12.566 -6.079 -7.813 1.00 53.53 H new ATOM 422 N GLY A 30 -4.557 -7.031 -7.796 1.00 4.14 N ATOM 423 CA GLY A 30 -3.911 -8.303 -7.529 1.00 51.13 C ATOM 424 C GLY A 30 -4.859 -9.288 -6.839 1.00 30.03 C ATOM 425 O GLY A 30 -4.926 -9.384 -5.650 1.00 24.23 O ATOM 0 H GLY A 30 -4.185 -6.265 -7.235 1.00 4.14 H new ATOM 0 HA2 GLY A 30 -3.557 -8.734 -8.465 1.00 51.13 H new ATOM 0 HA3 GLY A 30 -3.035 -8.141 -6.901 1.00 51.13 H new ATOM 429 N ASP A 31 -5.606 -10.043 -7.573 1.00 45.41 N ATOM 430 CA ASP A 31 -6.458 -11.182 -7.190 1.00 54.42 C ATOM 431 C ASP A 31 -7.339 -10.866 -5.972 1.00 23.41 C ATOM 432 O ASP A 31 -6.899 -10.888 -4.821 1.00 74.45 O ATOM 433 CB ASP A 31 -5.626 -12.443 -6.920 1.00 73.11 C ATOM 434 CG ASP A 31 -6.552 -13.635 -6.710 1.00 3.54 C ATOM 435 OD1 ASP A 31 -7.099 -13.812 -5.597 1.00 63.45 O ATOM 436 OD2 ASP A 31 -6.856 -14.318 -7.715 1.00 42.21 O ATOM 0 H ASP A 31 -5.659 -9.879 -8.578 1.00 45.41 H new ATOM 0 HA ASP A 31 -7.114 -11.371 -8.040 1.00 54.42 H new ATOM 0 HB2 ASP A 31 -4.956 -12.634 -7.758 1.00 73.11 H new ATOM 0 HB3 ASP A 31 -5.001 -12.296 -6.039 1.00 73.11 H new ATOM 440 N ALA A 32 -8.607 -10.535 -6.215 1.00 73.24 N ATOM 441 CA ALA A 32 -9.502 -10.029 -5.181 1.00 54.23 C ATOM 442 C ALA A 32 -9.599 -10.907 -3.929 1.00 24.00 C ATOM 443 O ALA A 32 -9.894 -10.361 -2.861 1.00 43.25 O ATOM 444 CB ALA A 32 -10.890 -9.790 -5.763 1.00 12.44 C ATOM 0 H ALA A 32 -9.040 -10.611 -7.135 1.00 73.24 H new ATOM 0 HA ALA A 32 -9.059 -9.091 -4.845 1.00 54.23 H new ATOM 0 HB1 ALA A 32 -11.551 -9.412 -4.983 1.00 12.44 H new ATOM 0 HB2 ALA A 32 -10.826 -9.060 -6.570 1.00 12.44 H new ATOM 0 HB3 ALA A 32 -11.287 -10.727 -6.153 1.00 12.44 H new ATOM 450 N ARG A 33 -9.339 -12.218 -4.023 1.00 35.14 N ATOM 451 CA ARG A 33 -9.167 -13.036 -2.842 1.00 32.02 C ATOM 452 C ARG A 33 -7.923 -12.640 -2.088 1.00 63.23 C ATOM 453 O ARG A 33 -8.070 -12.245 -0.936 1.00 42.51 O ATOM 454 CB ARG A 33 -9.205 -14.553 -3.085 1.00 13.22 C ATOM 455 CG ARG A 33 -10.625 -15.125 -3.160 1.00 61.14 C ATOM 456 CD ARG A 33 -10.537 -16.630 -2.842 1.00 21.11 C ATOM 457 NE ARG A 33 -11.730 -17.393 -3.245 1.00 22.02 N ATOM 458 CZ ARG A 33 -11.878 -18.130 -4.356 1.00 61.15 C ATOM 459 NH1 ARG A 33 -10.906 -18.224 -5.249 1.00 65.45 N ATOM 460 NH2 ARG A 33 -13.001 -18.801 -4.570 1.00 51.25 N ATOM 0 H ARG A 33 -9.246 -12.721 -4.905 1.00 35.14 H new ATOM 0 HA ARG A 33 -10.046 -12.831 -2.231 1.00 32.02 H new ATOM 0 HB2 ARG A 33 -8.682 -14.777 -4.015 1.00 13.22 H new ATOM 0 HB3 ARG A 33 -8.662 -15.055 -2.284 1.00 13.22 H new ATOM 0 HG2 ARG A 33 -11.279 -14.621 -2.449 1.00 61.14 H new ATOM 0 HG3 ARG A 33 -11.050 -14.967 -4.151 1.00 61.14 H new ATOM 0 HD2 ARG A 33 -9.664 -17.047 -3.343 1.00 21.11 H new ATOM 0 HD3 ARG A 33 -10.381 -16.757 -1.771 1.00 21.11 H new ATOM 0 HE ARG A 33 -12.529 -17.357 -2.612 1.00 22.02 H new ATOM 0 HH11 ARG A 33 -10.026 -17.731 -5.098 1.00 65.45 H new ATOM 0 HH12 ARG A 33 -11.037 -18.789 -6.088 1.00 65.45 H new ATOM 0 HH21 ARG A 33 -13.758 -18.759 -3.888 1.00 51.25 H new ATOM 0 HH22 ARG A 33 -13.108 -19.360 -5.417 1.00 51.25 H new ATOM 471 N ALA A 34 -6.738 -12.880 -2.640 1.00 1.51 N ATOM 472 CA ALA A 34 -5.570 -13.077 -1.792 1.00 30.03 C ATOM 473 C ALA A 34 -4.280 -12.607 -2.454 1.00 4.13 C ATOM 474 O ALA A 34 -3.207 -13.131 -2.121 1.00 11.42 O ATOM 475 CB ALA A 34 -5.501 -14.555 -1.397 1.00 4.43 C ATOM 0 H ALA A 34 -6.563 -12.942 -3.643 1.00 1.51 H new ATOM 0 HA ALA A 34 -5.676 -12.462 -0.898 1.00 30.03 H new ATOM 0 HB1 ALA A 34 -4.632 -14.721 -0.761 1.00 4.43 H new ATOM 0 HB2 ALA A 34 -6.406 -14.829 -0.854 1.00 4.43 H new ATOM 0 HB3 ALA A 34 -5.417 -15.168 -2.294 1.00 4.43 H new ATOM 481 N GLY A 35 -4.382 -11.664 -3.396 1.00 25.10 N ATOM 482 CA GLY A 35 -3.210 -10.999 -3.958 1.00 44.51 C ATOM 483 C GLY A 35 -2.170 -10.531 -2.954 1.00 23.12 C ATOM 484 O GLY A 35 -2.467 -10.353 -1.770 1.00 63.12 O ATOM 0 H GLY A 35 -5.270 -11.345 -3.784 1.00 25.10 H new ATOM 0 HA2 GLY A 35 -2.730 -11.682 -4.659 1.00 44.51 H new ATOM 0 HA3 GLY A 35 -3.546 -10.136 -4.533 1.00 44.51 H new ATOM 488 N ALA A 36 -1.014 -10.147 -3.488 1.00 50.13 N ATOM 489 CA ALA A 36 -0.151 -9.191 -2.805 1.00 5.41 C ATOM 490 C ALA A 36 -0.699 -7.783 -3.049 1.00 2.13 C ATOM 491 O ALA A 36 -1.556 -7.581 -3.914 1.00 73.25 O ATOM 492 CB ALA A 36 1.289 -9.309 -3.313 1.00 61.13 C ATOM 0 H ALA A 36 -0.656 -10.480 -4.383 1.00 50.13 H new ATOM 0 HA ALA A 36 -0.140 -9.400 -1.735 1.00 5.41 H new ATOM 0 HB1 ALA A 36 1.919 -8.588 -2.792 1.00 61.13 H new ATOM 0 HB2 ALA A 36 1.660 -10.317 -3.125 1.00 61.13 H new ATOM 0 HB3 ALA A 36 1.315 -9.106 -4.384 1.00 61.13 H new ATOM 498 N VAL A 37 -0.174 -6.783 -2.348 1.00 30.31 N ATOM 499 CA VAL A 37 -0.460 -5.382 -2.527 1.00 24.41 C ATOM 500 C VAL A 37 0.799 -4.573 -2.227 1.00 13.20 C ATOM 501 O VAL A 37 1.618 -4.952 -1.383 1.00 25.12 O ATOM 502 CB VAL A 37 -1.650 -4.988 -1.630 1.00 71.02 C ATOM 503 CG1 VAL A 37 -2.071 -5.958 -0.528 1.00 72.32 C ATOM 504 CG2 VAL A 37 -1.903 -3.478 -1.585 1.00 31.12 C ATOM 0 H VAL A 37 0.499 -6.949 -1.600 1.00 30.31 H new ATOM 0 HA VAL A 37 -0.747 -5.169 -3.557 1.00 24.41 H new ATOM 0 HB VAL A 37 -2.591 -5.258 -2.110 1.00 71.02 H new ATOM 0 HG11 VAL A 37 -2.919 -5.544 0.017 1.00 72.32 H new ATOM 0 HG12 VAL A 37 -2.356 -6.912 -0.972 1.00 72.32 H new ATOM 0 HG13 VAL A 37 -1.239 -6.112 0.159 1.00 72.32 H new ATOM 0 HG21 VAL A 37 -2.754 -3.271 -0.936 1.00 31.12 H new ATOM 0 HG22 VAL A 37 -1.019 -2.972 -1.197 1.00 31.12 H new ATOM 0 HG23 VAL A 37 -2.117 -3.115 -2.590 1.00 31.12 H new ATOM 514 N LEU A 38 0.911 -3.424 -2.894 1.00 12.54 N ATOM 515 CA LEU A 38 1.766 -2.311 -2.525 1.00 43.35 C ATOM 516 C LEU A 38 0.875 -1.174 -2.059 1.00 51.34 C ATOM 517 O LEU A 38 -0.174 -0.927 -2.651 1.00 44.32 O ATOM 518 CB LEU A 38 2.590 -1.834 -3.732 1.00 65.44 C ATOM 519 CG LEU A 38 3.552 -2.899 -4.274 1.00 42.21 C ATOM 520 CD1 LEU A 38 4.223 -2.394 -5.548 1.00 24.34 C ATOM 521 CD2 LEU A 38 4.620 -3.298 -3.252 1.00 52.13 C ATOM 0 H LEU A 38 0.380 -3.242 -3.746 1.00 12.54 H new ATOM 0 HA LEU A 38 2.453 -2.625 -1.739 1.00 43.35 H new ATOM 0 HB2 LEU A 38 1.911 -1.530 -4.528 1.00 65.44 H new ATOM 0 HB3 LEU A 38 3.162 -0.951 -3.446 1.00 65.44 H new ATOM 0 HG LEU A 38 2.959 -3.788 -4.490 1.00 42.21 H new ATOM 0 HD11 LEU A 38 4.905 -3.156 -5.927 1.00 24.34 H new ATOM 0 HD12 LEU A 38 3.463 -2.181 -6.300 1.00 24.34 H new ATOM 0 HD13 LEU A 38 4.782 -1.484 -5.329 1.00 24.34 H new ATOM 0 HD21 LEU A 38 5.274 -4.054 -3.686 1.00 52.13 H new ATOM 0 HD22 LEU A 38 5.208 -2.422 -2.980 1.00 52.13 H new ATOM 0 HD23 LEU A 38 4.139 -3.703 -2.362 1.00 52.13 H new ATOM 532 N VAL A 39 1.329 -0.440 -1.049 1.00 33.24 N ATOM 533 CA VAL A 39 0.736 0.819 -0.617 1.00 43.31 C ATOM 534 C VAL A 39 1.875 1.818 -0.685 1.00 50.44 C ATOM 535 O VAL A 39 2.716 1.868 0.212 1.00 51.11 O ATOM 536 CB VAL A 39 0.107 0.712 0.790 1.00 40.54 C ATOM 537 CG1 VAL A 39 -0.496 2.051 1.249 1.00 1.14 C ATOM 538 CG2 VAL A 39 -0.979 -0.366 0.873 1.00 40.25 C ATOM 0 H VAL A 39 2.141 -0.712 -0.494 1.00 33.24 H new ATOM 0 HA VAL A 39 -0.098 1.124 -1.249 1.00 43.31 H new ATOM 0 HB VAL A 39 0.928 0.433 1.451 1.00 40.54 H new ATOM 0 HG11 VAL A 39 -0.928 1.934 2.243 1.00 1.14 H new ATOM 0 HG12 VAL A 39 0.285 2.810 1.280 1.00 1.14 H new ATOM 0 HG13 VAL A 39 -1.273 2.359 0.549 1.00 1.14 H new ATOM 0 HG21 VAL A 39 -1.385 -0.396 1.884 1.00 40.25 H new ATOM 0 HG22 VAL A 39 -1.777 -0.133 0.168 1.00 40.25 H new ATOM 0 HG23 VAL A 39 -0.548 -1.336 0.626 1.00 40.25 H new ATOM 548 N LYS A 40 1.971 2.569 -1.773 1.00 34.13 N ATOM 549 CA LYS A 40 2.826 3.745 -1.767 1.00 64.52 C ATOM 550 C LYS A 40 2.006 4.846 -1.086 1.00 35.13 C ATOM 551 O LYS A 40 0.794 4.942 -1.291 1.00 60.31 O ATOM 552 CB LYS A 40 3.264 4.025 -3.204 1.00 3.40 C ATOM 553 CG LYS A 40 4.061 5.326 -3.305 1.00 70.14 C ATOM 554 CD LYS A 40 4.602 5.542 -4.720 1.00 64.54 C ATOM 555 CE LYS A 40 4.873 7.035 -4.852 1.00 10.24 C ATOM 556 NZ LYS A 40 5.180 7.430 -6.239 1.00 13.45 N ATOM 0 H LYS A 40 1.481 2.391 -2.650 1.00 34.13 H new ATOM 0 HA LYS A 40 3.757 3.642 -1.210 1.00 64.52 H new ATOM 0 HB2 LYS A 40 3.871 3.196 -3.568 1.00 3.40 H new ATOM 0 HB3 LYS A 40 2.386 4.084 -3.848 1.00 3.40 H new ATOM 0 HG2 LYS A 40 3.426 6.166 -3.025 1.00 70.14 H new ATOM 0 HG3 LYS A 40 4.889 5.303 -2.597 1.00 70.14 H new ATOM 0 HD2 LYS A 40 5.513 4.966 -4.880 1.00 64.54 H new ATOM 0 HD3 LYS A 40 3.880 5.210 -5.467 1.00 64.54 H new ATOM 0 HE2 LYS A 40 4.003 7.592 -4.503 1.00 10.24 H new ATOM 0 HE3 LYS A 40 5.707 7.309 -4.206 1.00 10.24 H new ATOM 0 HZ1 LYS A 40 6.155 7.789 -6.290 1.00 13.45 H new ATOM 0 HZ2 LYS A 40 5.081 6.605 -6.865 1.00 13.45 H new ATOM 0 HZ3 LYS A 40 4.521 8.175 -6.542 1.00 13.45 H new ATOM 566 N ALA A 41 2.649 5.626 -0.222 1.00 31.20 N ATOM 567 CA ALA A 41 2.026 6.674 0.569 1.00 43.03 C ATOM 568 C ALA A 41 2.968 7.862 0.531 1.00 35.40 C ATOM 569 O ALA A 41 4.153 7.711 0.833 1.00 20.32 O ATOM 570 CB ALA A 41 1.806 6.197 2.009 1.00 52.34 C ATOM 0 H ALA A 41 3.651 5.540 -0.050 1.00 31.20 H new ATOM 0 HA ALA A 41 1.048 6.943 0.170 1.00 43.03 H new ATOM 0 HB1 ALA A 41 1.339 6.993 2.589 1.00 52.34 H new ATOM 0 HB2 ALA A 41 1.157 5.321 2.007 1.00 52.34 H new ATOM 0 HB3 ALA A 41 2.765 5.937 2.457 1.00 52.34 H new ATOM 576 N VAL A 42 2.468 9.025 0.129 1.00 23.12 N ATOM 577 CA VAL A 42 3.310 10.179 -0.148 1.00 40.11 C ATOM 578 C VAL A 42 2.943 11.295 0.844 1.00 4.12 C ATOM 579 O VAL A 42 1.788 11.402 1.272 1.00 33.34 O ATOM 580 CB VAL A 42 3.192 10.515 -1.656 1.00 35.10 C ATOM 581 CG1 VAL A 42 4.154 11.635 -2.076 1.00 3.24 C ATOM 582 CG2 VAL A 42 3.499 9.307 -2.558 1.00 10.41 C ATOM 0 H VAL A 42 1.472 9.193 -0.013 1.00 23.12 H new ATOM 0 HA VAL A 42 4.373 10.001 0.016 1.00 40.11 H new ATOM 0 HB VAL A 42 2.156 10.828 -1.786 1.00 35.10 H new ATOM 0 HG11 VAL A 42 4.036 11.836 -3.141 1.00 3.24 H new ATOM 0 HG12 VAL A 42 3.930 12.539 -1.509 1.00 3.24 H new ATOM 0 HG13 VAL A 42 5.180 11.327 -1.877 1.00 3.24 H new ATOM 0 HG21 VAL A 42 3.401 9.599 -3.603 1.00 10.41 H new ATOM 0 HG22 VAL A 42 4.516 8.963 -2.371 1.00 10.41 H new ATOM 0 HG23 VAL A 42 2.797 8.502 -2.339 1.00 10.41 H new ATOM 592 N ASP A 43 3.926 12.109 1.239 1.00 12.03 N ATOM 593 CA ASP A 43 3.809 13.151 2.260 1.00 62.33 C ATOM 594 C ASP A 43 3.777 14.531 1.577 1.00 14.23 C ATOM 595 O ASP A 43 4.806 15.205 1.508 1.00 35.50 O ATOM 596 CB ASP A 43 5.019 13.113 3.229 1.00 34.12 C ATOM 597 CG ASP A 43 5.200 11.891 4.136 1.00 55.41 C ATOM 598 OD1 ASP A 43 5.536 10.780 3.663 1.00 75.51 O ATOM 599 OD2 ASP A 43 5.102 12.052 5.371 1.00 3.40 O ATOM 0 H ASP A 43 4.863 12.057 0.839 1.00 12.03 H new ATOM 0 HA ASP A 43 2.892 12.977 2.824 1.00 62.33 H new ATOM 0 HB2 ASP A 43 5.924 13.217 2.631 1.00 34.12 H new ATOM 0 HB3 ASP A 43 4.957 13.993 3.869 1.00 34.12 H new ATOM 603 N ARG A 44 2.629 15.029 1.084 1.00 53.34 N ATOM 604 CA ARG A 44 2.572 16.384 0.481 1.00 75.14 C ATOM 605 C ARG A 44 2.991 17.501 1.437 1.00 51.32 C ATOM 606 O ARG A 44 3.229 18.623 0.988 1.00 2.33 O ATOM 607 CB ARG A 44 1.179 16.734 -0.086 1.00 63.34 C ATOM 608 CG ARG A 44 0.954 16.302 -1.526 1.00 13.22 C ATOM 609 CD ARG A 44 1.738 17.116 -2.557 1.00 11.01 C ATOM 610 NE ARG A 44 0.925 18.172 -3.177 1.00 42.15 N ATOM 611 CZ ARG A 44 -0.111 17.980 -3.998 1.00 2.02 C ATOM 612 NH1 ARG A 44 -0.545 16.758 -4.292 1.00 21.22 N ATOM 613 NH2 ARG A 44 -0.718 19.031 -4.524 1.00 33.52 N ATOM 0 H ARG A 44 1.740 14.529 1.088 1.00 53.34 H new ATOM 0 HA ARG A 44 3.295 16.330 -0.333 1.00 75.14 H new ATOM 0 HB2 ARG A 44 0.419 16.269 0.542 1.00 63.34 H new ATOM 0 HB3 ARG A 44 1.034 17.812 -0.017 1.00 63.34 H new ATOM 0 HG2 ARG A 44 1.228 15.252 -1.625 1.00 13.22 H new ATOM 0 HG3 ARG A 44 -0.109 16.377 -1.754 1.00 13.22 H new ATOM 0 HD2 ARG A 44 2.606 17.566 -2.076 1.00 11.01 H new ATOM 0 HD3 ARG A 44 2.114 16.449 -3.333 1.00 11.01 H new ATOM 0 HE ARG A 44 1.174 19.137 -2.961 1.00 42.15 H new ATOM 0 HH11 ARG A 44 -0.085 15.942 -3.888 1.00 21.22 H new ATOM 0 HH12 ARG A 44 -1.338 16.636 -4.922 1.00 21.22 H new ATOM 0 HH21 ARG A 44 -0.394 19.972 -4.301 1.00 33.52 H new ATOM 0 HH22 ARG A 44 -1.511 18.900 -5.153 1.00 33.52 H new ATOM 624 N ARG A 45 3.038 17.258 2.747 1.00 64.42 N ATOM 625 CA ARG A 45 3.536 18.253 3.680 1.00 55.32 C ATOM 626 C ARG A 45 5.007 18.526 3.421 1.00 11.22 C ATOM 627 O ARG A 45 5.355 19.697 3.315 1.00 42.23 O ATOM 628 CB ARG A 45 3.271 17.830 5.130 1.00 53.43 C ATOM 629 CG ARG A 45 2.134 18.686 5.687 1.00 12.00 C ATOM 630 CD ARG A 45 1.711 18.208 7.072 1.00 61.55 C ATOM 631 NE ARG A 45 0.821 19.194 7.697 1.00 61.15 N ATOM 632 CZ ARG A 45 1.215 20.239 8.437 1.00 20.52 C ATOM 633 NH1 ARG A 45 2.508 20.487 8.634 1.00 4.41 N ATOM 634 NH2 ARG A 45 0.306 21.049 8.967 1.00 63.41 N ATOM 0 H ARG A 45 2.738 16.384 3.178 1.00 64.42 H new ATOM 0 HA ARG A 45 2.995 19.186 3.522 1.00 55.32 H new ATOM 0 HB2 ARG A 45 3.006 16.774 5.174 1.00 53.43 H new ATOM 0 HB3 ARG A 45 4.171 17.958 5.732 1.00 53.43 H new ATOM 0 HG2 ARG A 45 2.452 19.727 5.740 1.00 12.00 H new ATOM 0 HG3 ARG A 45 1.281 18.647 5.010 1.00 12.00 H new ATOM 0 HD2 ARG A 45 1.203 17.247 6.994 1.00 61.55 H new ATOM 0 HD3 ARG A 45 2.591 18.054 7.696 1.00 61.55 H new ATOM 0 HE ARG A 45 -0.182 19.073 7.556 1.00 61.15 H new ATOM 0 HH11 ARG A 45 3.213 19.878 8.219 1.00 4.41 H new ATOM 0 HH12 ARG A 45 2.794 21.286 9.200 1.00 4.41 H new ATOM 0 HH21 ARG A 45 -0.687 20.874 8.810 1.00 63.41 H new ATOM 0 HH22 ARG A 45 0.600 21.846 9.531 1.00 63.41 H new ATOM 645 N GLU A 46 5.858 17.508 3.294 1.00 32.24 N ATOM 646 CA GLU A 46 7.302 17.750 3.213 1.00 32.21 C ATOM 647 C GLU A 46 7.853 17.453 1.816 1.00 15.12 C ATOM 648 O GLU A 46 8.803 18.108 1.390 1.00 11.14 O ATOM 649 CB GLU A 46 8.073 17.070 4.362 1.00 4.04 C ATOM 650 CG GLU A 46 7.359 17.240 5.719 1.00 41.22 C ATOM 651 CD GLU A 46 8.254 17.264 6.961 1.00 62.31 C ATOM 652 OE1 GLU A 46 9.430 16.852 6.941 1.00 75.51 O ATOM 653 OE2 GLU A 46 7.770 17.707 8.032 1.00 75.43 O ATOM 0 H GLU A 46 5.583 16.527 3.246 1.00 32.24 H new ATOM 0 HA GLU A 46 7.468 18.817 3.362 1.00 32.21 H new ATOM 0 HB2 GLU A 46 8.187 16.008 4.143 1.00 4.04 H new ATOM 0 HB3 GLU A 46 9.076 17.492 4.425 1.00 4.04 H new ATOM 0 HG2 GLU A 46 6.789 18.168 5.691 1.00 41.22 H new ATOM 0 HG3 GLU A 46 6.641 16.428 5.831 1.00 41.22 H new ATOM 658 N GLY A 47 7.201 16.585 1.042 1.00 23.24 N ATOM 659 CA GLY A 47 7.689 16.082 -0.237 1.00 62.14 C ATOM 660 C GLY A 47 8.448 14.767 -0.077 1.00 61.23 C ATOM 661 O GLY A 47 9.030 14.283 -1.053 1.00 3.22 O ATOM 0 H GLY A 47 6.291 16.202 1.298 1.00 23.24 H new ATOM 0 HA2 GLY A 47 6.848 15.936 -0.915 1.00 62.14 H new ATOM 0 HA3 GLY A 47 8.342 16.825 -0.695 1.00 62.14 H new ATOM 665 N THR A 48 8.461 14.192 1.125 1.00 2.11 N ATOM 666 CA THR A 48 8.881 12.826 1.358 1.00 42.42 C ATOM 667 C THR A 48 7.868 11.888 0.687 1.00 71.31 C ATOM 668 O THR A 48 6.721 12.255 0.409 1.00 24.43 O ATOM 669 CB THR A 48 9.017 12.576 2.879 1.00 4.12 C ATOM 670 OG1 THR A 48 8.220 13.453 3.661 1.00 53.14 O ATOM 671 CG2 THR A 48 10.461 12.766 3.342 1.00 11.11 C ATOM 0 H THR A 48 8.173 14.678 1.974 1.00 2.11 H new ATOM 0 HA THR A 48 9.860 12.632 0.921 1.00 42.42 H new ATOM 0 HB THR A 48 8.681 11.549 3.026 1.00 4.12 H new ATOM 0 HG1 THR A 48 8.344 13.248 4.611 1.00 53.14 H new ATOM 0 HG21 THR A 48 10.526 12.584 4.415 1.00 11.11 H new ATOM 0 HG22 THR A 48 11.107 12.064 2.815 1.00 11.11 H new ATOM 0 HG23 THR A 48 10.781 13.786 3.127 1.00 11.11 H new ATOM 679 N ALA A 49 8.288 10.653 0.435 1.00 53.11 N ATOM 680 CA ALA A 49 7.437 9.584 -0.040 1.00 73.42 C ATOM 681 C ALA A 49 7.884 8.315 0.669 1.00 3.15 C ATOM 682 O ALA A 49 9.050 8.187 1.054 1.00 31.44 O ATOM 683 CB ALA A 49 7.561 9.465 -1.564 1.00 71.13 C ATOM 0 H ALA A 49 9.259 10.367 0.561 1.00 53.11 H new ATOM 0 HA ALA A 49 6.386 9.773 0.177 1.00 73.42 H new ATOM 0 HB1 ALA A 49 6.919 8.659 -1.919 1.00 71.13 H new ATOM 0 HB2 ALA A 49 7.256 10.403 -2.028 1.00 71.13 H new ATOM 0 HB3 ALA A 49 8.596 9.248 -1.829 1.00 71.13 H new ATOM 689 N ARG A 50 6.960 7.376 0.858 1.00 73.42 N ATOM 690 CA ARG A 50 7.208 6.090 1.494 1.00 41.23 C ATOM 691 C ARG A 50 6.526 4.997 0.682 1.00 43.22 C ATOM 692 O ARG A 50 5.592 5.269 -0.077 1.00 43.00 O ATOM 693 CB ARG A 50 6.687 6.164 2.938 1.00 71.44 C ATOM 694 CG ARG A 50 7.436 5.226 3.892 1.00 64.51 C ATOM 695 CD ARG A 50 7.522 5.866 5.280 1.00 55.41 C ATOM 696 NE ARG A 50 8.195 4.979 6.234 1.00 24.55 N ATOM 697 CZ ARG A 50 8.837 5.315 7.357 1.00 61.52 C ATOM 698 NH1 ARG A 50 8.946 6.583 7.757 1.00 22.54 N ATOM 699 NH2 ARG A 50 9.357 4.333 8.076 1.00 3.11 N ATOM 0 H ARG A 50 5.991 7.495 0.563 1.00 73.42 H new ATOM 0 HA ARG A 50 8.271 5.853 1.528 1.00 41.23 H new ATOM 0 HB2 ARG A 50 6.777 7.189 3.299 1.00 71.44 H new ATOM 0 HB3 ARG A 50 5.626 5.914 2.949 1.00 71.44 H new ATOM 0 HG2 ARG A 50 6.921 4.267 3.954 1.00 64.51 H new ATOM 0 HG3 ARG A 50 8.437 5.026 3.510 1.00 64.51 H new ATOM 0 HD2 ARG A 50 8.062 6.810 5.215 1.00 55.41 H new ATOM 0 HD3 ARG A 50 6.519 6.097 5.639 1.00 55.41 H new ATOM 0 HE ARG A 50 8.170 3.983 6.014 1.00 24.55 H new ATOM 0 HH11 ARG A 50 8.532 7.331 7.200 1.00 22.54 H new ATOM 0 HH12 ARG A 50 9.443 6.805 8.620 1.00 22.54 H new ATOM 0 HH21 ARG A 50 9.259 3.366 7.765 1.00 3.11 H new ATOM 0 HH22 ARG A 50 9.856 4.543 8.941 1.00 3.11 H new ATOM 710 N LEU A 51 6.974 3.753 0.832 1.00 4.23 N ATOM 711 CA LEU A 51 6.460 2.631 0.060 1.00 62.20 C ATOM 712 C LEU A 51 6.349 1.440 0.979 1.00 24.43 C ATOM 713 O LEU A 51 7.308 1.111 1.682 1.00 53.01 O ATOM 714 CB LEU A 51 7.382 2.320 -1.129 1.00 11.32 C ATOM 715 CG LEU A 51 6.614 2.028 -2.429 1.00 5.25 C ATOM 716 CD1 LEU A 51 7.597 1.950 -3.579 1.00 44.10 C ATOM 717 CD2 LEU A 51 5.833 0.715 -2.499 1.00 1.32 C ATOM 0 H LEU A 51 7.706 3.497 1.495 1.00 4.23 H new ATOM 0 HA LEU A 51 5.480 2.878 -0.348 1.00 62.20 H new ATOM 0 HB2 LEU A 51 8.052 3.164 -1.292 1.00 11.32 H new ATOM 0 HB3 LEU A 51 8.006 1.461 -0.882 1.00 11.32 H new ATOM 0 HG LEU A 51 5.892 2.843 -2.475 1.00 5.25 H new ATOM 0 HD11 LEU A 51 7.059 1.743 -4.504 1.00 44.10 H new ATOM 0 HD12 LEU A 51 8.125 2.899 -3.671 1.00 44.10 H new ATOM 0 HD13 LEU A 51 8.315 1.152 -3.391 1.00 44.10 H new ATOM 0 HD21 LEU A 51 5.340 0.636 -3.468 1.00 1.32 H new ATOM 0 HD22 LEU A 51 6.518 -0.123 -2.371 1.00 1.32 H new ATOM 0 HD23 LEU A 51 5.084 0.695 -1.708 1.00 1.32 H new ATOM 728 N PHE A 52 5.181 0.812 0.960 1.00 64.55 N ATOM 729 CA PHE A 52 4.900 -0.367 1.755 1.00 64.54 C ATOM 730 C PHE A 52 4.490 -1.518 0.841 1.00 63.35 C ATOM 731 O PHE A 52 3.971 -1.310 -0.257 1.00 10.21 O ATOM 732 CB PHE A 52 3.827 -0.044 2.800 1.00 33.50 C ATOM 733 CG PHE A 52 4.126 1.174 3.657 1.00 2.03 C ATOM 734 CD1 PHE A 52 5.104 1.096 4.664 1.00 52.13 C ATOM 735 CD2 PHE A 52 3.424 2.381 3.464 1.00 20.52 C ATOM 736 CE1 PHE A 52 5.365 2.211 5.484 1.00 22.41 C ATOM 737 CE2 PHE A 52 3.689 3.494 4.283 1.00 1.14 C ATOM 738 CZ PHE A 52 4.652 3.406 5.301 1.00 2.03 C ATOM 0 H PHE A 52 4.395 1.114 0.384 1.00 64.55 H new ATOM 0 HA PHE A 52 5.795 -0.679 2.293 1.00 64.54 H new ATOM 0 HB2 PHE A 52 2.877 0.112 2.290 1.00 33.50 H new ATOM 0 HB3 PHE A 52 3.701 -0.909 3.452 1.00 33.50 H new ATOM 0 HD1 PHE A 52 5.656 0.179 4.809 1.00 52.13 H new ATOM 0 HD2 PHE A 52 2.680 2.452 2.684 1.00 20.52 H new ATOM 0 HE1 PHE A 52 6.117 2.146 6.257 1.00 22.41 H new ATOM 0 HE2 PHE A 52 3.151 4.417 4.128 1.00 1.14 H new ATOM 0 HZ PHE A 52 4.843 4.255 5.941 1.00 2.03 H new ATOM 747 N SER A 53 4.714 -2.744 1.298 1.00 51.55 N ATOM 748 CA SER A 53 4.468 -3.983 0.581 1.00 63.33 C ATOM 749 C SER A 53 4.018 -4.996 1.619 1.00 30.11 C ATOM 750 O SER A 53 4.548 -5.004 2.729 1.00 14.21 O ATOM 751 CB SER A 53 5.791 -4.380 -0.085 1.00 44.54 C ATOM 752 OG SER A 53 5.718 -5.528 -0.898 1.00 24.25 O ATOM 0 H SER A 53 5.093 -2.906 2.231 1.00 51.55 H new ATOM 0 HA SER A 53 3.703 -3.907 -0.192 1.00 63.33 H new ATOM 0 HB2 SER A 53 6.143 -3.544 -0.690 1.00 44.54 H new ATOM 0 HB3 SER A 53 6.537 -4.548 0.692 1.00 44.54 H new ATOM 0 HG SER A 53 6.599 -5.711 -1.285 1.00 24.25 H new ATOM 757 N GLU A 54 3.002 -5.789 1.300 1.00 70.21 N ATOM 758 CA GLU A 54 2.529 -6.817 2.215 1.00 63.13 C ATOM 759 C GLU A 54 3.577 -7.917 2.365 1.00 54.45 C ATOM 760 O GLU A 54 4.477 -8.024 1.535 1.00 73.32 O ATOM 761 CB GLU A 54 1.186 -7.362 1.730 1.00 13.31 C ATOM 762 CG GLU A 54 1.290 -8.195 0.443 1.00 65.05 C ATOM 763 CD GLU A 54 1.486 -9.702 0.683 1.00 74.24 C ATOM 764 OE1 GLU A 54 0.886 -10.279 1.620 1.00 42.12 O ATOM 765 OE2 GLU A 54 2.245 -10.337 -0.080 1.00 24.13 O ATOM 0 H GLU A 54 2.492 -5.739 0.418 1.00 70.21 H new ATOM 0 HA GLU A 54 2.374 -6.385 3.204 1.00 63.13 H new ATOM 0 HB2 GLU A 54 0.747 -7.976 2.516 1.00 13.31 H new ATOM 0 HB3 GLU A 54 0.505 -6.528 1.559 1.00 13.31 H new ATOM 0 HG2 GLU A 54 0.385 -8.047 -0.147 1.00 65.05 H new ATOM 0 HG3 GLU A 54 2.123 -7.822 -0.152 1.00 65.05 H new ATOM 770 N ALA A 55 3.439 -8.760 3.384 1.00 50.43 N ATOM 771 CA ALA A 55 4.149 -10.026 3.546 1.00 30.41 C ATOM 772 C ALA A 55 3.440 -10.826 4.651 1.00 31.01 C ATOM 773 O ALA A 55 2.573 -10.277 5.335 1.00 73.42 O ATOM 774 CB ALA A 55 5.622 -9.743 3.886 1.00 34.21 C ATOM 0 H ALA A 55 2.799 -8.571 4.156 1.00 50.43 H new ATOM 0 HA ALA A 55 4.137 -10.614 2.628 1.00 30.41 H new ATOM 0 HB1 ALA A 55 6.155 -10.686 4.008 1.00 34.21 H new ATOM 0 HB2 ALA A 55 6.078 -9.170 3.079 1.00 34.21 H new ATOM 0 HB3 ALA A 55 5.678 -9.172 4.813 1.00 34.21 H new ATOM 780 N THR A 56 3.823 -12.087 4.873 1.00 34.40 N ATOM 781 CA THR A 56 3.293 -12.959 5.922 1.00 44.25 C ATOM 782 C THR A 56 4.454 -13.597 6.683 1.00 73.22 C ATOM 783 O THR A 56 5.468 -13.954 6.079 1.00 61.24 O ATOM 784 CB THR A 56 2.345 -14.041 5.360 1.00 63.25 C ATOM 785 OG1 THR A 56 2.704 -14.490 4.059 1.00 14.53 O ATOM 786 CG2 THR A 56 0.890 -13.569 5.333 1.00 32.22 C ATOM 0 H THR A 56 4.537 -12.544 4.306 1.00 34.40 H new ATOM 0 HA THR A 56 2.699 -12.349 6.603 1.00 44.25 H new ATOM 0 HB THR A 56 2.448 -14.880 6.048 1.00 63.25 H new ATOM 0 HG1 THR A 56 2.068 -15.173 3.762 1.00 14.53 H new ATOM 0 HG21 THR A 56 0.258 -14.361 4.931 1.00 32.22 H new ATOM 0 HG22 THR A 56 0.567 -13.326 6.345 1.00 32.22 H new ATOM 0 HG23 THR A 56 0.807 -12.683 4.704 1.00 32.22 H new ATOM 794 N ARG A 57 4.333 -13.673 8.012 1.00 41.12 N ATOM 795 CA ARG A 57 5.329 -14.280 8.894 1.00 10.43 C ATOM 796 C ARG A 57 5.216 -15.801 8.871 1.00 51.12 C ATOM 797 O ARG A 57 4.305 -16.361 8.253 1.00 71.01 O ATOM 798 CB ARG A 57 5.173 -13.730 10.326 1.00 2.44 C ATOM 799 CG ARG A 57 5.498 -12.233 10.417 1.00 5.54 C ATOM 800 CD ARG A 57 5.458 -11.736 11.864 1.00 61.23 C ATOM 801 NE ARG A 57 6.176 -10.457 12.009 1.00 42.34 N ATOM 802 CZ ARG A 57 6.087 -9.622 13.050 1.00 63.45 C ATOM 803 NH1 ARG A 57 5.254 -9.876 14.054 1.00 13.43 N ATOM 804 NH2 ARG A 57 6.833 -8.527 13.080 1.00 75.35 N ATOM 0 H ARG A 57 3.523 -13.306 8.512 1.00 41.12 H new ATOM 0 HA ARG A 57 6.324 -14.018 8.533 1.00 10.43 H new ATOM 0 HB2 ARG A 57 4.152 -13.899 10.668 1.00 2.44 H new ATOM 0 HB3 ARG A 57 5.829 -14.283 10.998 1.00 2.44 H new ATOM 0 HG2 ARG A 57 6.486 -12.048 9.995 1.00 5.54 H new ATOM 0 HG3 ARG A 57 4.784 -11.668 9.817 1.00 5.54 H new ATOM 0 HD2 ARG A 57 4.422 -11.612 12.180 1.00 61.23 H new ATOM 0 HD3 ARG A 57 5.905 -12.483 12.520 1.00 61.23 H new ATOM 0 HE ARG A 57 6.797 -10.184 11.247 1.00 42.34 H new ATOM 0 HH11 ARG A 57 4.674 -10.715 14.036 1.00 13.43 H new ATOM 0 HH12 ARG A 57 5.195 -9.232 14.843 1.00 13.43 H new ATOM 0 HH21 ARG A 57 7.472 -8.324 12.311 1.00 75.35 H new ATOM 0 HH22 ARG A 57 6.768 -7.887 13.872 1.00 75.35 H new ATOM 815 N GLY A 58 6.062 -16.461 9.669 1.00 1.33 N ATOM 816 CA GLY A 58 6.041 -17.892 9.938 1.00 22.01 C ATOM 817 C GLY A 58 4.764 -18.379 10.617 1.00 21.42 C ATOM 818 O GLY A 58 4.678 -19.569 10.935 1.00 22.34 O ATOM 0 H GLY A 58 6.814 -15.984 10.166 1.00 1.33 H new ATOM 0 HA2 GLY A 58 6.168 -18.429 8.998 1.00 22.01 H new ATOM 0 HA3 GLY A 58 6.894 -18.145 10.568 1.00 22.01 H new ATOM 822 N ASP A 59 3.791 -17.496 10.851 1.00 31.23 N ATOM 823 CA ASP A 59 2.486 -17.807 11.408 1.00 34.02 C ATOM 824 C ASP A 59 1.348 -17.399 10.468 1.00 52.44 C ATOM 825 O ASP A 59 0.199 -17.326 10.896 1.00 53.21 O ATOM 826 CB ASP A 59 2.350 -17.219 12.820 1.00 24.12 C ATOM 827 CG ASP A 59 3.049 -18.097 13.852 1.00 74.23 C ATOM 828 OD1 ASP A 59 2.749 -19.314 13.891 1.00 43.41 O ATOM 829 OD2 ASP A 59 3.964 -17.594 14.548 1.00 1.51 O ATOM 0 H ASP A 59 3.903 -16.503 10.646 1.00 31.23 H new ATOM 0 HA ASP A 59 2.402 -18.889 11.505 1.00 34.02 H new ATOM 0 HB2 ASP A 59 2.777 -16.217 12.842 1.00 24.12 H new ATOM 0 HB3 ASP A 59 1.295 -17.121 13.076 1.00 24.12 H new ATOM 833 N GLY A 60 1.650 -17.081 9.201 1.00 13.52 N ATOM 834 CA GLY A 60 0.680 -16.501 8.268 1.00 1.24 C ATOM 835 C GLY A 60 0.198 -15.122 8.727 1.00 40.23 C ATOM 836 O GLY A 60 -0.791 -14.600 8.212 1.00 71.14 O ATOM 0 H GLY A 60 2.576 -17.220 8.796 1.00 13.52 H new ATOM 0 HA2 GLY A 60 1.133 -16.417 7.280 1.00 1.24 H new ATOM 0 HA3 GLY A 60 -0.175 -17.170 8.171 1.00 1.24 H new ATOM 840 N GLU A 61 0.895 -14.535 9.700 1.00 13.11 N ATOM 841 CA GLU A 61 0.580 -13.271 10.337 1.00 21.04 C ATOM 842 C GLU A 61 0.997 -12.201 9.329 1.00 44.21 C ATOM 843 O GLU A 61 2.188 -12.089 9.025 1.00 41.33 O ATOM 844 CB GLU A 61 1.363 -13.218 11.667 1.00 34.01 C ATOM 845 CG GLU A 61 0.769 -12.301 12.745 1.00 20.43 C ATOM 846 CD GLU A 61 0.187 -13.096 13.918 1.00 75.13 C ATOM 847 OE1 GLU A 61 0.955 -13.497 14.819 1.00 22.30 O ATOM 848 OE2 GLU A 61 -1.049 -13.278 13.985 1.00 1.41 O ATOM 0 H GLU A 61 1.741 -14.959 10.081 1.00 13.11 H new ATOM 0 HA GLU A 61 -0.471 -13.126 10.588 1.00 21.04 H new ATOM 0 HB2 GLU A 61 1.430 -14.228 12.070 1.00 34.01 H new ATOM 0 HB3 GLU A 61 2.381 -12.891 11.457 1.00 34.01 H new ATOM 0 HG2 GLU A 61 1.542 -11.626 13.113 1.00 20.43 H new ATOM 0 HG3 GLU A 61 -0.012 -11.682 12.304 1.00 20.43 H new ATOM 853 N ARG A 62 0.040 -11.522 8.689 1.00 4.41 N ATOM 854 CA ARG A 62 0.349 -10.553 7.640 1.00 52.53 C ATOM 855 C ARG A 62 0.832 -9.238 8.257 1.00 1.12 C ATOM 856 O ARG A 62 0.538 -8.949 9.422 1.00 15.53 O ATOM 857 CB ARG A 62 -0.867 -10.418 6.709 1.00 44.33 C ATOM 858 CG ARG A 62 -0.757 -9.311 5.644 1.00 3.13 C ATOM 859 CD ARG A 62 -1.781 -9.456 4.515 1.00 44.21 C ATOM 860 NE ARG A 62 -1.302 -10.328 3.427 1.00 44.33 N ATOM 861 CZ ARG A 62 -1.990 -11.265 2.770 1.00 61.14 C ATOM 862 NH1 ARG A 62 -3.129 -11.765 3.251 1.00 40.31 N ATOM 863 NH2 ARG A 62 -1.485 -11.707 1.629 1.00 44.53 N ATOM 0 H ARG A 62 -0.956 -11.628 8.882 1.00 4.41 H new ATOM 0 HA ARG A 62 1.177 -10.895 7.019 1.00 52.53 H new ATOM 0 HB2 ARG A 62 -1.026 -11.371 6.204 1.00 44.33 H new ATOM 0 HB3 ARG A 62 -1.751 -10.228 7.318 1.00 44.33 H new ATOM 0 HG2 ARG A 62 -0.889 -8.341 6.123 1.00 3.13 H new ATOM 0 HG3 ARG A 62 0.247 -9.323 5.219 1.00 3.13 H new ATOM 0 HD2 ARG A 62 -2.708 -9.862 4.920 1.00 44.21 H new ATOM 0 HD3 ARG A 62 -2.014 -8.471 4.111 1.00 44.21 H new ATOM 0 HE ARG A 62 -0.331 -10.201 3.143 1.00 44.33 H new ATOM 0 HH11 ARG A 62 -3.496 -11.432 4.143 1.00 40.31 H new ATOM 0 HH12 ARG A 62 -3.633 -12.480 2.727 1.00 40.31 H new ATOM 0 HH21 ARG A 62 -0.602 -11.332 1.283 1.00 44.53 H new ATOM 0 HH22 ARG A 62 -1.979 -12.423 1.096 1.00 44.53 H new ATOM 874 N PHE A 63 1.581 -8.453 7.490 1.00 62.01 N ATOM 875 CA PHE A 63 2.118 -7.146 7.849 1.00 53.15 C ATOM 876 C PHE A 63 2.329 -6.324 6.576 1.00 4.31 C ATOM 877 O PHE A 63 2.051 -6.799 5.469 1.00 64.11 O ATOM 878 CB PHE A 63 3.423 -7.301 8.659 1.00 20.04 C ATOM 879 CG PHE A 63 4.544 -8.115 8.024 1.00 64.02 C ATOM 880 CD1 PHE A 63 4.454 -9.522 7.976 1.00 64.11 C ATOM 881 CD2 PHE A 63 5.723 -7.491 7.563 1.00 32.20 C ATOM 882 CE1 PHE A 63 5.509 -10.288 7.458 1.00 45.25 C ATOM 883 CE2 PHE A 63 6.790 -8.279 7.098 1.00 65.11 C ATOM 884 CZ PHE A 63 6.677 -9.669 7.013 1.00 13.22 C ATOM 0 H PHE A 63 1.845 -8.729 6.544 1.00 62.01 H new ATOM 0 HA PHE A 63 1.410 -6.617 8.487 1.00 53.15 H new ATOM 0 HB2 PHE A 63 3.809 -6.304 8.873 1.00 20.04 H new ATOM 0 HB3 PHE A 63 3.174 -7.758 9.617 1.00 20.04 H new ATOM 0 HD1 PHE A 63 3.565 -10.014 8.341 1.00 64.11 H new ATOM 0 HD2 PHE A 63 5.805 -6.414 7.567 1.00 32.20 H new ATOM 0 HE1 PHE A 63 5.416 -11.363 7.404 1.00 45.25 H new ATOM 0 HE2 PHE A 63 7.713 -7.802 6.801 1.00 65.11 H new ATOM 0 HZ PHE A 63 7.486 -10.258 6.607 1.00 13.22 H new ATOM 893 N TRP A 64 2.825 -5.097 6.729 1.00 21.02 N ATOM 894 CA TRP A 64 3.246 -4.198 5.666 1.00 61.32 C ATOM 895 C TRP A 64 4.703 -3.820 5.910 1.00 11.03 C ATOM 896 O TRP A 64 5.027 -2.954 6.721 1.00 14.22 O ATOM 897 CB TRP A 64 2.364 -2.959 5.640 1.00 63.25 C ATOM 898 CG TRP A 64 0.948 -3.167 5.247 1.00 0.23 C ATOM 899 CD1 TRP A 64 -0.087 -3.267 6.105 1.00 40.53 C ATOM 900 CD2 TRP A 64 0.392 -3.313 3.911 1.00 12.20 C ATOM 901 NE1 TRP A 64 -1.253 -3.430 5.388 1.00 1.13 N ATOM 902 CE2 TRP A 64 -1.021 -3.436 4.029 1.00 22.31 C ATOM 903 CE3 TRP A 64 0.940 -3.392 2.616 1.00 60.11 C ATOM 904 CZ2 TRP A 64 -1.847 -3.603 2.915 1.00 0.24 C ATOM 905 CZ3 TRP A 64 0.120 -3.611 1.493 1.00 71.25 C ATOM 906 CH2 TRP A 64 -1.277 -3.724 1.636 1.00 75.14 C ATOM 0 H TRP A 64 2.949 -4.684 7.653 1.00 21.02 H new ATOM 0 HA TRP A 64 3.151 -4.690 4.698 1.00 61.32 H new ATOM 0 HB2 TRP A 64 2.381 -2.506 6.631 1.00 63.25 H new ATOM 0 HB3 TRP A 64 2.807 -2.238 4.953 1.00 63.25 H new ATOM 0 HD1 TRP A 64 -0.014 -3.226 7.182 1.00 40.53 H new ATOM 0 HE1 TRP A 64 -2.175 -3.534 5.811 1.00 1.13 H new ATOM 0 HE3 TRP A 64 2.006 -3.283 2.482 1.00 60.11 H new ATOM 0 HZ2 TRP A 64 -2.920 -3.639 3.036 1.00 0.24 H new ATOM 0 HZ3 TRP A 64 0.566 -3.693 0.513 1.00 71.25 H new ATOM 0 HH2 TRP A 64 -1.902 -3.901 0.773 1.00 75.14 H new ATOM 916 N MET A 65 5.597 -4.519 5.239 1.00 10.12 N ATOM 917 CA MET A 65 7.014 -4.247 5.262 1.00 33.23 C ATOM 918 C MET A 65 7.395 -3.077 4.359 1.00 13.02 C ATOM 919 O MET A 65 6.586 -2.559 3.584 1.00 50.14 O ATOM 920 CB MET A 65 7.753 -5.514 4.863 1.00 5.43 C ATOM 921 CG MET A 65 7.481 -6.031 3.443 1.00 25.53 C ATOM 922 SD MET A 65 8.931 -6.749 2.639 1.00 23.35 S ATOM 923 CE MET A 65 9.445 -7.845 3.981 1.00 25.15 C ATOM 0 H MET A 65 5.348 -5.312 4.648 1.00 10.12 H new ATOM 0 HA MET A 65 7.300 -3.951 6.271 1.00 33.23 H new ATOM 0 HB2 MET A 65 8.823 -5.334 4.964 1.00 5.43 H new ATOM 0 HB3 MET A 65 7.493 -6.301 5.571 1.00 5.43 H new ATOM 0 HG2 MET A 65 6.691 -6.781 3.484 1.00 25.53 H new ATOM 0 HG3 MET A 65 7.108 -5.209 2.832 1.00 25.53 H new ATOM 0 HE1 MET A 65 10.018 -8.677 3.572 1.00 25.15 H new ATOM 0 HE2 MET A 65 10.063 -7.291 4.687 1.00 25.15 H new ATOM 0 HE3 MET A 65 8.564 -8.229 4.495 1.00 25.15 H new ATOM 931 N GLN A 66 8.675 -2.708 4.420 1.00 65.23 N ATOM 932 CA GLN A 66 9.294 -1.669 3.613 1.00 65.41 C ATOM 933 C GLN A 66 10.507 -2.260 2.884 1.00 62.22 C ATOM 934 O GLN A 66 11.637 -2.114 3.356 1.00 3.12 O ATOM 935 CB GLN A 66 9.670 -0.472 4.496 1.00 43.02 C ATOM 936 CG GLN A 66 8.413 0.222 5.033 1.00 11.21 C ATOM 937 CD GLN A 66 8.711 1.642 5.487 1.00 1.35 C ATOM 938 OE1 GLN A 66 8.567 2.024 6.639 1.00 45.21 O ATOM 939 NE2 GLN A 66 9.136 2.500 4.589 1.00 1.32 N ATOM 0 H GLN A 66 9.333 -3.148 5.063 1.00 65.23 H new ATOM 0 HA GLN A 66 8.594 -1.302 2.862 1.00 65.41 H new ATOM 0 HB2 GLN A 66 10.289 -0.808 5.328 1.00 43.02 H new ATOM 0 HB3 GLN A 66 10.265 0.237 3.921 1.00 43.02 H new ATOM 0 HG2 GLN A 66 7.647 0.240 4.258 1.00 11.21 H new ATOM 0 HG3 GLN A 66 8.009 -0.351 5.868 1.00 11.21 H new ATOM 0 HE21 GLN A 66 9.264 2.204 3.621 1.00 1.32 H new ATOM 0 HE22 GLN A 66 9.339 3.463 4.859 1.00 1.32 H new ATOM 946 N PRO A 67 10.309 -2.940 1.741 1.00 52.11 N ATOM 947 CA PRO A 67 11.396 -3.570 0.994 1.00 33.32 C ATOM 948 C PRO A 67 12.339 -2.535 0.370 1.00 70.12 C ATOM 949 O PRO A 67 13.498 -2.844 0.082 1.00 34.45 O ATOM 950 CB PRO A 67 10.707 -4.417 -0.083 1.00 13.04 C ATOM 951 CG PRO A 67 9.390 -3.676 -0.311 1.00 43.13 C ATOM 952 CD PRO A 67 9.036 -3.178 1.084 1.00 24.34 C ATOM 0 HA PRO A 67 12.026 -4.174 1.647 1.00 33.32 H new ATOM 0 HB2 PRO A 67 11.302 -4.473 -0.995 1.00 13.04 H new ATOM 0 HB3 PRO A 67 10.541 -5.441 0.253 1.00 13.04 H new ATOM 0 HG2 PRO A 67 9.506 -2.853 -1.017 1.00 43.13 H new ATOM 0 HG3 PRO A 67 8.620 -4.334 -0.713 1.00 43.13 H new ATOM 0 HD2 PRO A 67 8.441 -2.266 1.037 1.00 24.34 H new ATOM 0 HD3 PRO A 67 8.445 -3.916 1.627 1.00 24.34 H new ATOM 957 N VAL A 68 11.873 -1.299 0.182 1.00 53.11 N ATOM 958 CA VAL A 68 12.660 -0.183 -0.304 1.00 64.54 C ATOM 959 C VAL A 68 12.458 0.974 0.656 1.00 61.52 C ATOM 960 O VAL A 68 11.333 1.323 1.016 1.00 54.04 O ATOM 961 CB VAL A 68 12.336 0.111 -1.789 1.00 25.23 C ATOM 962 CG1 VAL A 68 10.853 0.422 -2.051 1.00 10.01 C ATOM 963 CG2 VAL A 68 13.212 1.238 -2.358 1.00 72.24 C ATOM 0 H VAL A 68 10.903 -1.047 0.373 1.00 53.11 H new ATOM 0 HA VAL A 68 13.727 -0.403 -0.315 1.00 64.54 H new ATOM 0 HB VAL A 68 12.567 -0.818 -2.310 1.00 25.23 H new ATOM 0 HG11 VAL A 68 10.704 0.617 -3.113 1.00 10.01 H new ATOM 0 HG12 VAL A 68 10.244 -0.430 -1.750 1.00 10.01 H new ATOM 0 HG13 VAL A 68 10.558 1.300 -1.476 1.00 10.01 H new ATOM 0 HG21 VAL A 68 12.950 1.410 -3.402 1.00 72.24 H new ATOM 0 HG22 VAL A 68 13.046 2.151 -1.787 1.00 72.24 H new ATOM 0 HG23 VAL A 68 14.262 0.953 -2.289 1.00 72.24 H new ATOM 973 N ARG A 69 13.581 1.527 1.103 1.00 11.41 N ATOM 974 CA ARG A 69 13.654 2.661 1.991 1.00 21.12 C ATOM 975 C ARG A 69 14.665 3.697 1.491 1.00 25.52 C ATOM 976 O ARG A 69 15.132 4.553 2.244 1.00 43.21 O ATOM 977 CB ARG A 69 13.907 2.135 3.405 1.00 70.22 C ATOM 978 CG ARG A 69 15.241 1.416 3.678 1.00 3.05 C ATOM 979 CD ARG A 69 15.074 -0.079 3.995 1.00 63.40 C ATOM 980 NE ARG A 69 16.326 -0.605 4.555 1.00 31.32 N ATOM 981 CZ ARG A 69 16.824 -1.840 4.483 1.00 50.00 C ATOM 982 NH1 ARG A 69 16.130 -2.849 3.979 1.00 25.34 N ATOM 983 NH2 ARG A 69 18.058 -2.043 4.910 1.00 71.33 N ATOM 0 H ARG A 69 14.501 1.174 0.839 1.00 11.41 H new ATOM 0 HA ARG A 69 12.714 3.212 2.013 1.00 21.12 H new ATOM 0 HB2 ARG A 69 13.834 2.977 4.093 1.00 70.22 H new ATOM 0 HB3 ARG A 69 13.099 1.448 3.656 1.00 70.22 H new ATOM 0 HG2 ARG A 69 15.889 1.525 2.808 1.00 3.05 H new ATOM 0 HG3 ARG A 69 15.744 1.903 4.513 1.00 3.05 H new ATOM 0 HD2 ARG A 69 14.258 -0.222 4.703 1.00 63.40 H new ATOM 0 HD3 ARG A 69 14.810 -0.626 3.090 1.00 63.40 H new ATOM 0 HE ARG A 69 16.893 0.068 5.071 1.00 31.32 H new ATOM 0 HH11 ARG A 69 15.184 -2.694 3.631 1.00 25.34 H new ATOM 0 HH12 ARG A 69 16.542 -3.781 3.939 1.00 25.34 H new ATOM 0 HH21 ARG A 69 18.603 -1.266 5.282 1.00 71.33 H new ATOM 0 HH22 ARG A 69 18.465 -2.977 4.867 1.00 71.33 H new ATOM 994 N SER A 70 15.003 3.626 0.202 1.00 23.35 N ATOM 995 CA SER A 70 15.529 4.769 -0.514 1.00 70.22 C ATOM 996 C SER A 70 14.435 5.831 -0.472 1.00 45.10 C ATOM 997 O SER A 70 13.252 5.530 -0.619 1.00 21.52 O ATOM 998 CB SER A 70 15.873 4.392 -1.959 1.00 63.53 C ATOM 999 OG SER A 70 16.430 5.502 -2.631 1.00 74.14 O ATOM 0 H SER A 70 14.918 2.780 -0.362 1.00 23.35 H new ATOM 0 HA SER A 70 16.451 5.134 -0.061 1.00 70.22 H new ATOM 0 HB2 SER A 70 16.578 3.560 -1.968 1.00 63.53 H new ATOM 0 HB3 SER A 70 14.976 4.055 -2.479 1.00 63.53 H new ATOM 0 HG SER A 70 16.274 5.413 -3.594 1.00 74.14 H new ATOM 1004 N THR A 71 14.833 7.075 -0.265 1.00 44.00 N ATOM 1005 CA THR A 71 13.949 8.229 -0.231 1.00 32.12 C ATOM 1006 C THR A 71 13.876 8.921 -1.607 1.00 43.04 C ATOM 1007 O THR A 71 13.287 9.996 -1.724 1.00 54.13 O ATOM 1008 CB THR A 71 14.421 9.154 0.909 1.00 5.43 C ATOM 1009 OG1 THR A 71 15.843 9.227 0.968 1.00 24.55 O ATOM 1010 CG2 THR A 71 13.921 8.648 2.268 1.00 71.10 C ATOM 0 H THR A 71 15.812 7.318 -0.111 1.00 44.00 H new ATOM 0 HA THR A 71 12.923 7.927 -0.022 1.00 32.12 H new ATOM 0 HB THR A 71 14.010 10.141 0.698 1.00 5.43 H new ATOM 0 HG1 THR A 71 16.110 9.822 1.699 1.00 24.55 H new ATOM 0 HG21 THR A 71 14.267 9.318 3.055 1.00 71.10 H new ATOM 0 HG22 THR A 71 12.831 8.621 2.268 1.00 71.10 H new ATOM 0 HG23 THR A 71 14.309 7.645 2.448 1.00 71.10 H new ATOM 1018 N PHE A 72 14.497 8.367 -2.655 1.00 70.32 N ATOM 1019 CA PHE A 72 14.407 8.920 -4.000 1.00 25.12 C ATOM 1020 C PHE A 72 13.018 8.653 -4.579 1.00 43.01 C ATOM 1021 O PHE A 72 12.639 7.502 -4.761 1.00 45.11 O ATOM 1022 CB PHE A 72 15.493 8.327 -4.907 1.00 11.02 C ATOM 1023 CG PHE A 72 16.840 9.009 -4.777 1.00 21.34 C ATOM 1024 CD1 PHE A 72 17.102 10.192 -5.495 1.00 70.40 C ATOM 1025 CD2 PHE A 72 17.844 8.455 -3.961 1.00 44.20 C ATOM 1026 CE1 PHE A 72 18.365 10.803 -5.408 1.00 74.34 C ATOM 1027 CE2 PHE A 72 19.097 9.079 -3.861 1.00 74.32 C ATOM 1028 CZ PHE A 72 19.362 10.251 -4.589 1.00 70.53 C ATOM 0 H PHE A 72 15.072 7.527 -2.589 1.00 70.32 H new ATOM 0 HA PHE A 72 14.566 9.997 -3.946 1.00 25.12 H new ATOM 0 HB2 PHE A 72 15.609 7.268 -4.675 1.00 11.02 H new ATOM 0 HB3 PHE A 72 15.162 8.392 -5.944 1.00 11.02 H new ATOM 0 HD1 PHE A 72 16.332 10.630 -6.113 1.00 70.40 H new ATOM 0 HD2 PHE A 72 17.650 7.547 -3.410 1.00 44.20 H new ATOM 0 HE1 PHE A 72 18.569 11.700 -5.973 1.00 74.34 H new ATOM 0 HE2 PHE A 72 19.859 8.657 -3.223 1.00 74.32 H new ATOM 0 HZ PHE A 72 20.330 10.726 -4.519 1.00 70.53 H new ATOM 1037 N GLU A 73 12.305 9.723 -4.929 1.00 24.51 N ATOM 1038 CA GLU A 73 11.076 9.740 -5.722 1.00 22.53 C ATOM 1039 C GLU A 73 11.064 8.661 -6.830 1.00 31.53 C ATOM 1040 O GLU A 73 10.191 7.792 -6.770 1.00 11.32 O ATOM 1041 CB GLU A 73 10.921 11.185 -6.243 1.00 23.44 C ATOM 1042 CG GLU A 73 9.756 11.455 -7.208 1.00 23.12 C ATOM 1043 CD GLU A 73 9.975 12.720 -8.060 1.00 45.44 C ATOM 1044 OE1 GLU A 73 10.796 13.592 -7.682 1.00 10.01 O ATOM 1045 OE2 GLU A 73 9.346 12.813 -9.142 1.00 30.25 O ATOM 0 H GLU A 73 12.589 10.662 -4.648 1.00 24.51 H new ATOM 0 HA GLU A 73 10.210 9.472 -5.117 1.00 22.53 H new ATOM 0 HB2 GLU A 73 10.809 11.845 -5.383 1.00 23.44 H new ATOM 0 HB3 GLU A 73 11.848 11.467 -6.743 1.00 23.44 H new ATOM 0 HG2 GLU A 73 9.627 10.596 -7.866 1.00 23.12 H new ATOM 0 HG3 GLU A 73 8.833 11.561 -6.638 1.00 23.12 H new ATOM 1050 N PRO A 74 12.003 8.644 -7.807 1.00 72.12 N ATOM 1051 CA PRO A 74 11.942 7.684 -8.904 1.00 70.22 C ATOM 1052 C PRO A 74 12.155 6.240 -8.447 1.00 3.42 C ATOM 1053 O PRO A 74 11.546 5.347 -9.031 1.00 13.43 O ATOM 1054 CB PRO A 74 13.022 8.112 -9.902 1.00 34.32 C ATOM 1055 CG PRO A 74 14.029 8.867 -9.040 1.00 30.15 C ATOM 1056 CD PRO A 74 13.123 9.556 -8.023 1.00 62.43 C ATOM 0 HA PRO A 74 10.948 7.691 -9.351 1.00 70.22 H new ATOM 0 HB2 PRO A 74 13.479 7.252 -10.392 1.00 34.32 H new ATOM 0 HB3 PRO A 74 12.612 8.746 -10.688 1.00 34.32 H new ATOM 0 HG2 PRO A 74 14.742 8.195 -8.562 1.00 30.15 H new ATOM 0 HG3 PRO A 74 14.608 9.584 -9.622 1.00 30.15 H new ATOM 0 HD2 PRO A 74 13.656 9.749 -7.092 1.00 62.43 H new ATOM 0 HD3 PRO A 74 12.777 10.519 -8.397 1.00 62.43 H new ATOM 1061 N ASP A 75 12.972 5.997 -7.413 1.00 2.23 N ATOM 1062 CA ASP A 75 13.238 4.642 -6.917 1.00 10.24 C ATOM 1063 C ASP A 75 11.950 4.041 -6.387 1.00 51.31 C ATOM 1064 O ASP A 75 11.743 2.826 -6.450 1.00 13.31 O ATOM 1065 CB ASP A 75 14.232 4.624 -5.741 1.00 43.40 C ATOM 1066 CG ASP A 75 15.688 4.903 -6.081 1.00 23.25 C ATOM 1067 OD1 ASP A 75 16.011 5.191 -7.257 1.00 24.45 O ATOM 1068 OD2 ASP A 75 16.498 4.783 -5.134 1.00 52.32 O ATOM 0 H ASP A 75 13.464 6.729 -6.901 1.00 2.23 H new ATOM 0 HA ASP A 75 13.654 4.084 -7.756 1.00 10.24 H new ATOM 0 HB2 ASP A 75 13.906 5.360 -5.007 1.00 43.40 H new ATOM 0 HB3 ASP A 75 14.175 3.647 -5.260 1.00 43.40 H new ATOM 1072 N LEU A 76 11.106 4.900 -5.812 1.00 63.24 N ATOM 1073 CA LEU A 76 9.895 4.483 -5.161 1.00 23.54 C ATOM 1074 C LEU A 76 8.849 4.179 -6.219 1.00 50.42 C ATOM 1075 O LEU A 76 8.354 3.059 -6.241 1.00 44.21 O ATOM 1076 CB LEU A 76 9.451 5.516 -4.110 1.00 24.24 C ATOM 1077 CG LEU A 76 10.361 5.568 -2.857 1.00 23.44 C ATOM 1078 CD1 LEU A 76 9.649 6.357 -1.759 1.00 13.41 C ATOM 1079 CD2 LEU A 76 10.761 4.192 -2.301 1.00 2.12 C ATOM 0 H LEU A 76 11.258 5.908 -5.793 1.00 63.24 H new ATOM 0 HA LEU A 76 10.057 3.564 -4.597 1.00 23.54 H new ATOM 0 HB2 LEU A 76 9.429 6.503 -4.572 1.00 24.24 H new ATOM 0 HB3 LEU A 76 8.432 5.287 -3.798 1.00 24.24 H new ATOM 0 HG LEU A 76 11.286 6.049 -3.174 1.00 23.44 H new ATOM 0 HD11 LEU A 76 10.282 6.399 -0.873 1.00 13.41 H new ATOM 0 HD12 LEU A 76 9.448 7.369 -2.110 1.00 13.41 H new ATOM 0 HD13 LEU A 76 8.708 5.866 -1.510 1.00 13.41 H new ATOM 0 HD21 LEU A 76 11.397 4.324 -1.426 1.00 2.12 H new ATOM 0 HD22 LEU A 76 9.865 3.639 -2.018 1.00 2.12 H new ATOM 0 HD23 LEU A 76 11.305 3.635 -3.064 1.00 2.12 H new ATOM 1090 N ASP A 77 8.500 5.114 -7.105 1.00 21.43 N ATOM 1091 CA ASP A 77 7.418 4.817 -8.054 1.00 1.01 C ATOM 1092 C ASP A 77 7.803 3.682 -9.010 1.00 30.42 C ATOM 1093 O ASP A 77 6.979 2.816 -9.313 1.00 45.20 O ATOM 1094 CB ASP A 77 6.974 6.066 -8.818 1.00 44.14 C ATOM 1095 CG ASP A 77 5.511 5.919 -9.255 1.00 43.12 C ATOM 1096 OD1 ASP A 77 4.656 5.772 -8.349 1.00 70.31 O ATOM 1097 OD2 ASP A 77 5.220 6.050 -10.460 1.00 50.40 O ATOM 0 H ASP A 77 8.923 6.038 -7.188 1.00 21.43 H new ATOM 0 HA ASP A 77 6.564 4.476 -7.469 1.00 1.01 H new ATOM 0 HB2 ASP A 77 7.087 6.948 -8.187 1.00 44.14 H new ATOM 0 HB3 ASP A 77 7.610 6.214 -9.691 1.00 44.14 H new ATOM 1101 N ALA A 78 9.086 3.605 -9.394 1.00 25.31 N ATOM 1102 CA ALA A 78 9.589 2.528 -10.240 1.00 2.34 C ATOM 1103 C ALA A 78 9.410 1.145 -9.610 1.00 61.42 C ATOM 1104 O ALA A 78 9.276 0.164 -10.352 1.00 5.41 O ATOM 1105 CB ALA A 78 11.069 2.747 -10.563 1.00 42.11 C ATOM 0 H ALA A 78 9.796 4.287 -9.125 1.00 25.31 H new ATOM 0 HA ALA A 78 8.997 2.554 -11.155 1.00 2.34 H new ATOM 0 HB1 ALA A 78 11.428 1.934 -11.195 1.00 42.11 H new ATOM 0 HB2 ALA A 78 11.191 3.695 -11.087 1.00 42.11 H new ATOM 0 HB3 ALA A 78 11.644 2.768 -9.637 1.00 42.11 H new ATOM 1111 N TYR A 79 9.380 1.053 -8.273 1.00 1.42 N ATOM 1112 CA TYR A 79 9.123 -0.192 -7.562 1.00 71.10 C ATOM 1113 C TYR A 79 7.779 -0.767 -8.016 1.00 74.33 C ATOM 1114 O TYR A 79 7.692 -1.931 -8.415 1.00 13.45 O ATOM 1115 CB TYR A 79 9.088 0.044 -6.042 1.00 54.13 C ATOM 1116 CG TYR A 79 9.179 -1.233 -5.245 1.00 42.41 C ATOM 1117 CD1 TYR A 79 8.008 -1.962 -4.993 1.00 70.31 C ATOM 1118 CD2 TYR A 79 10.425 -1.729 -4.827 1.00 72.23 C ATOM 1119 CE1 TYR A 79 8.088 -3.223 -4.390 1.00 50.42 C ATOM 1120 CE2 TYR A 79 10.510 -2.980 -4.189 1.00 54.33 C ATOM 1121 CZ TYR A 79 9.337 -3.741 -3.987 1.00 43.44 C ATOM 1122 OH TYR A 79 9.418 -4.979 -3.430 1.00 2.25 O ATOM 0 H TYR A 79 9.535 1.851 -7.657 1.00 1.42 H new ATOM 0 HA TYR A 79 9.926 -0.893 -7.787 1.00 71.10 H new ATOM 0 HB2 TYR A 79 9.913 0.700 -5.763 1.00 54.13 H new ATOM 0 HB3 TYR A 79 8.166 0.563 -5.782 1.00 54.13 H new ATOM 0 HD1 TYR A 79 7.046 -1.552 -5.264 1.00 70.31 H new ATOM 0 HD2 TYR A 79 11.320 -1.149 -4.996 1.00 72.23 H new ATOM 0 HE1 TYR A 79 7.190 -3.802 -4.233 1.00 50.42 H new ATOM 0 HE2 TYR A 79 11.466 -3.356 -3.856 1.00 54.33 H new ATOM 0 HH TYR A 79 10.352 -5.179 -3.212 1.00 2.25 H new ATOM 1131 N ALA A 80 6.727 0.055 -7.940 1.00 52.43 N ATOM 1132 CA ALA A 80 5.367 -0.344 -8.248 1.00 3.42 C ATOM 1133 C ALA A 80 5.180 -0.670 -9.725 1.00 33.11 C ATOM 1134 O ALA A 80 4.365 -1.534 -10.049 1.00 73.44 O ATOM 1135 CB ALA A 80 4.396 0.754 -7.802 1.00 50.10 C ATOM 0 H ALA A 80 6.808 1.032 -7.657 1.00 52.43 H new ATOM 0 HA ALA A 80 5.153 -1.261 -7.699 1.00 3.42 H new ATOM 0 HB1 ALA A 80 3.375 0.453 -8.034 1.00 50.10 H new ATOM 0 HB2 ALA A 80 4.493 0.911 -6.728 1.00 50.10 H new ATOM 0 HB3 ALA A 80 4.629 1.681 -8.326 1.00 50.10 H new ATOM 1141 N GLU A 81 5.940 -0.038 -10.624 1.00 61.22 N ATOM 1142 CA GLU A 81 5.862 -0.396 -12.027 1.00 31.33 C ATOM 1143 C GLU A 81 6.497 -1.763 -12.226 1.00 72.20 C ATOM 1144 O GLU A 81 5.929 -2.603 -12.932 1.00 53.12 O ATOM 1145 CB GLU A 81 6.588 0.601 -12.933 1.00 43.10 C ATOM 1146 CG GLU A 81 5.887 1.952 -13.103 1.00 25.33 C ATOM 1147 CD GLU A 81 6.081 2.578 -14.502 1.00 11.15 C ATOM 1148 OE1 GLU A 81 6.952 2.155 -15.298 1.00 42.53 O ATOM 1149 OE2 GLU A 81 5.304 3.488 -14.874 1.00 2.45 O ATOM 0 H GLU A 81 6.600 0.708 -10.404 1.00 61.22 H new ATOM 0 HA GLU A 81 4.807 -0.395 -12.300 1.00 31.33 H new ATOM 0 HB2 GLU A 81 7.586 0.775 -12.530 1.00 43.10 H new ATOM 0 HB3 GLU A 81 6.716 0.149 -13.917 1.00 43.10 H new ATOM 0 HG2 GLU A 81 4.821 1.825 -12.916 1.00 25.33 H new ATOM 0 HG3 GLU A 81 6.263 2.644 -12.349 1.00 25.33 H new ATOM 1154 N ARG A 82 7.673 -1.966 -11.619 1.00 64.23 N ATOM 1155 CA ARG A 82 8.450 -3.178 -11.790 1.00 25.44 C ATOM 1156 C ARG A 82 7.683 -4.366 -11.256 1.00 11.25 C ATOM 1157 O ARG A 82 7.427 -5.288 -12.024 1.00 50.14 O ATOM 1158 CB ARG A 82 9.831 -3.082 -11.119 1.00 25.15 C ATOM 1159 CG ARG A 82 10.614 -4.415 -11.200 1.00 30.32 C ATOM 1160 CD ARG A 82 11.819 -4.399 -10.265 1.00 21.22 C ATOM 1161 NE ARG A 82 12.183 -5.763 -9.837 1.00 1.11 N ATOM 1162 CZ ARG A 82 12.170 -6.217 -8.577 1.00 52.44 C ATOM 1163 NH1 ARG A 82 12.097 -5.383 -7.542 1.00 50.22 N ATOM 1164 NH2 ARG A 82 12.203 -7.524 -8.367 1.00 30.12 N ATOM 0 H ARG A 82 8.105 -1.285 -10.995 1.00 64.23 H new ATOM 0 HA ARG A 82 8.621 -3.310 -12.858 1.00 25.44 H new ATOM 0 HB2 ARG A 82 10.411 -2.292 -11.596 1.00 25.15 H new ATOM 0 HB3 ARG A 82 9.706 -2.799 -10.074 1.00 25.15 H new ATOM 0 HG2 ARG A 82 9.956 -5.244 -10.937 1.00 30.32 H new ATOM 0 HG3 ARG A 82 10.946 -4.584 -12.224 1.00 30.32 H new ATOM 0 HD2 ARG A 82 12.667 -3.935 -10.769 1.00 21.22 H new ATOM 0 HD3 ARG A 82 11.595 -3.789 -9.390 1.00 21.22 H new ATOM 0 HE ARG A 82 12.470 -6.418 -10.565 1.00 1.11 H new ATOM 0 HH11 ARG A 82 12.050 -4.376 -7.700 1.00 50.22 H new ATOM 0 HH12 ARG A 82 12.088 -5.750 -6.591 1.00 50.22 H new ATOM 0 HH21 ARG A 82 12.238 -8.167 -9.158 1.00 30.12 H new ATOM 0 HH22 ARG A 82 12.194 -7.888 -7.414 1.00 30.12 H new ATOM 1175 N ALA A 83 7.408 -4.386 -9.946 1.00 70.34 N ATOM 1176 CA ALA A 83 6.972 -5.581 -9.225 1.00 31.02 C ATOM 1177 C ALA A 83 5.803 -6.239 -9.956 1.00 33.02 C ATOM 1178 O ALA A 83 5.785 -7.449 -10.182 1.00 33.31 O ATOM 1179 CB ALA A 83 6.596 -5.205 -7.784 1.00 13.32 C ATOM 0 H ALA A 83 7.484 -3.560 -9.352 1.00 70.34 H new ATOM 0 HA ALA A 83 7.787 -6.304 -9.187 1.00 31.02 H new ATOM 0 HB1 ALA A 83 6.271 -6.097 -7.248 1.00 13.32 H new ATOM 0 HB2 ALA A 83 7.463 -4.776 -7.282 1.00 13.32 H new ATOM 0 HB3 ALA A 83 5.786 -4.475 -7.798 1.00 13.32 H new ATOM 1185 N ALA A 84 4.894 -5.397 -10.446 1.00 4.34 N ATOM 1186 CA ALA A 84 3.664 -5.770 -11.107 1.00 50.50 C ATOM 1187 C ALA A 84 3.841 -6.493 -12.457 1.00 52.13 C ATOM 1188 O ALA A 84 2.834 -6.837 -13.076 1.00 23.43 O ATOM 1189 CB ALA A 84 2.845 -4.489 -11.272 1.00 32.44 C ATOM 0 H ALA A 84 5.011 -4.386 -10.385 1.00 4.34 H new ATOM 0 HA ALA A 84 3.157 -6.509 -10.487 1.00 50.50 H new ATOM 0 HB1 ALA A 84 1.903 -4.721 -11.769 1.00 32.44 H new ATOM 0 HB2 ALA A 84 2.642 -4.058 -10.292 1.00 32.44 H new ATOM 0 HB3 ALA A 84 3.406 -3.774 -11.874 1.00 32.44 H new ATOM 1195 N ARG A 85 5.075 -6.703 -12.933 1.00 44.12 N ATOM 1196 CA ARG A 85 5.417 -7.414 -14.174 1.00 25.34 C ATOM 1197 C ARG A 85 6.058 -8.779 -13.923 1.00 44.13 C ATOM 1198 O ARG A 85 6.424 -9.478 -14.874 1.00 73.14 O ATOM 1199 CB ARG A 85 6.386 -6.554 -14.985 1.00 74.11 C ATOM 1200 CG ARG A 85 5.753 -5.267 -15.511 1.00 53.20 C ATOM 1201 CD ARG A 85 6.883 -4.377 -16.018 1.00 53.11 C ATOM 1202 NE ARG A 85 6.354 -3.171 -16.673 1.00 61.21 N ATOM 1203 CZ ARG A 85 5.840 -3.104 -17.910 1.00 53.13 C ATOM 1204 NH1 ARG A 85 5.964 -4.108 -18.774 1.00 45.52 N ATOM 1205 NH2 ARG A 85 5.205 -2.017 -18.322 1.00 74.21 N ATOM 0 H ARG A 85 5.902 -6.366 -12.441 1.00 44.12 H new ATOM 0 HA ARG A 85 4.487 -7.588 -14.715 1.00 25.34 H new ATOM 0 HB2 ARG A 85 7.245 -6.301 -14.363 1.00 74.11 H new ATOM 0 HB3 ARG A 85 6.762 -7.136 -15.826 1.00 74.11 H new ATOM 0 HG2 ARG A 85 5.048 -5.486 -16.313 1.00 53.20 H new ATOM 0 HG3 ARG A 85 5.193 -4.764 -14.722 1.00 53.20 H new ATOM 0 HD2 ARG A 85 7.526 -4.090 -15.186 1.00 53.11 H new ATOM 0 HD3 ARG A 85 7.502 -4.935 -16.721 1.00 53.11 H new ATOM 0 HE ARG A 85 6.381 -2.304 -16.136 1.00 61.21 H new ATOM 0 HH11 ARG A 85 6.460 -4.957 -18.502 1.00 45.52 H new ATOM 0 HH12 ARG A 85 5.563 -4.029 -19.708 1.00 45.52 H new ATOM 0 HH21 ARG A 85 5.102 -1.218 -17.696 1.00 74.21 H new ATOM 0 HH22 ARG A 85 4.819 -1.979 -19.265 1.00 74.21 H new ATOM 1216 N ILE A 86 6.276 -9.138 -12.659 1.00 11.24 N ATOM 1217 CA ILE A 86 6.747 -10.461 -12.259 1.00 44.20 C ATOM 1218 C ILE A 86 5.769 -11.072 -11.253 1.00 3.24 C ATOM 1219 O ILE A 86 5.644 -12.298 -11.181 1.00 62.14 O ATOM 1220 CB ILE A 86 8.195 -10.417 -11.711 1.00 51.13 C ATOM 1221 CG1 ILE A 86 9.151 -9.502 -12.508 1.00 50.50 C ATOM 1222 CG2 ILE A 86 8.799 -11.835 -11.734 1.00 70.00 C ATOM 1223 CD1 ILE A 86 9.223 -8.061 -11.996 1.00 21.44 C ATOM 0 H ILE A 86 6.128 -8.507 -11.872 1.00 11.24 H new ATOM 0 HA ILE A 86 6.779 -11.101 -13.141 1.00 44.20 H new ATOM 0 HB ILE A 86 8.109 -10.011 -10.703 1.00 51.13 H new ATOM 0 HG12 ILE A 86 10.152 -9.934 -12.483 1.00 50.50 H new ATOM 0 HG13 ILE A 86 8.835 -9.488 -13.551 1.00 50.50 H new ATOM 0 HG21 ILE A 86 9.818 -11.803 -11.348 1.00 70.00 H new ATOM 0 HG22 ILE A 86 8.196 -12.497 -11.112 1.00 70.00 H new ATOM 0 HG23 ILE A 86 8.810 -12.209 -12.758 1.00 70.00 H new ATOM 0 HD11 ILE A 86 9.917 -7.490 -12.613 1.00 21.44 H new ATOM 0 HD12 ILE A 86 8.233 -7.607 -12.047 1.00 21.44 H new ATOM 0 HD13 ILE A 86 9.570 -8.059 -10.963 1.00 21.44 H new ATOM 1234 N ASP A 87 5.057 -10.249 -10.480 1.00 34.22 N ATOM 1235 CA ASP A 87 3.996 -10.711 -9.598 1.00 31.15 C ATOM 1236 C ASP A 87 2.913 -11.437 -10.400 1.00 31.04 C ATOM 1237 O ASP A 87 2.595 -11.025 -11.525 1.00 22.43 O ATOM 1238 CB ASP A 87 3.380 -9.537 -8.822 1.00 70.11 C ATOM 1239 CG ASP A 87 3.969 -9.487 -7.422 1.00 43.52 C ATOM 1240 OD1 ASP A 87 3.528 -10.306 -6.580 1.00 74.20 O ATOM 1241 OD2 ASP A 87 4.900 -8.703 -7.175 1.00 5.23 O ATOM 0 H ASP A 87 5.205 -9.240 -10.452 1.00 34.22 H new ATOM 0 HA ASP A 87 4.431 -11.408 -8.881 1.00 31.15 H new ATOM 0 HB2 ASP A 87 3.576 -8.600 -9.344 1.00 70.11 H new ATOM 0 HB3 ASP A 87 2.297 -9.651 -8.768 1.00 70.11 H new ATOM 1245 N PRO A 88 2.299 -12.483 -9.823 1.00 31.25 N ATOM 1246 CA PRO A 88 1.147 -13.126 -10.424 1.00 33.33 C ATOM 1247 C PRO A 88 -0.070 -12.193 -10.389 1.00 74.02 C ATOM 1248 O PRO A 88 -0.869 -12.191 -11.326 1.00 44.33 O ATOM 1249 CB PRO A 88 0.927 -14.408 -9.622 1.00 25.13 C ATOM 1250 CG PRO A 88 1.489 -14.068 -8.243 1.00 1.53 C ATOM 1251 CD PRO A 88 2.655 -13.145 -8.576 1.00 52.11 C ATOM 0 HA PRO A 88 1.303 -13.359 -11.477 1.00 33.33 H new ATOM 0 HB2 PRO A 88 -0.129 -14.673 -9.571 1.00 25.13 H new ATOM 0 HB3 PRO A 88 1.447 -15.255 -10.069 1.00 25.13 H new ATOM 0 HG2 PRO A 88 0.748 -13.574 -7.614 1.00 1.53 H new ATOM 0 HG3 PRO A 88 1.818 -14.959 -7.708 1.00 1.53 H new ATOM 0 HD2 PRO A 88 2.816 -12.418 -7.780 1.00 52.11 H new ATOM 0 HD3 PRO A 88 3.581 -13.710 -8.684 1.00 52.11 H new ATOM 1256 N ASP A 89 -0.205 -11.386 -9.328 1.00 65.42 N ATOM 1257 CA ASP A 89 -1.298 -10.474 -9.094 1.00 65.01 C ATOM 1258 C ASP A 89 -0.939 -9.680 -7.840 1.00 14.44 C ATOM 1259 O ASP A 89 -0.891 -10.213 -6.729 1.00 32.11 O ATOM 1260 CB ASP A 89 -2.670 -11.179 -8.963 1.00 44.32 C ATOM 1261 CG ASP A 89 -3.646 -10.792 -10.100 1.00 4.53 C ATOM 1262 OD1 ASP A 89 -3.475 -9.683 -10.668 1.00 53.43 O ATOM 1263 OD2 ASP A 89 -4.621 -11.524 -10.387 1.00 11.54 O ATOM 0 H ASP A 89 0.488 -11.362 -8.580 1.00 65.42 H new ATOM 0 HA ASP A 89 -1.421 -9.817 -9.955 1.00 65.01 H new ATOM 0 HB2 ASP A 89 -2.522 -12.259 -8.968 1.00 44.32 H new ATOM 0 HB3 ASP A 89 -3.116 -10.923 -8.002 1.00 44.32 H new ATOM 1267 N ILE A 90 -0.568 -8.420 -8.034 1.00 11.20 N ATOM 1268 CA ILE A 90 -0.313 -7.439 -6.973 1.00 22.43 C ATOM 1269 C ILE A 90 -1.239 -6.230 -7.131 1.00 73.23 C ATOM 1270 O ILE A 90 -1.433 -5.738 -8.241 1.00 25.12 O ATOM 1271 CB ILE A 90 1.186 -7.096 -6.947 1.00 65.15 C ATOM 1272 CG1 ILE A 90 1.627 -6.270 -5.725 1.00 44.53 C ATOM 1273 CG2 ILE A 90 1.662 -6.429 -8.247 1.00 34.42 C ATOM 1274 CD1 ILE A 90 3.137 -6.412 -5.487 1.00 44.52 C ATOM 0 H ILE A 90 -0.430 -8.034 -8.968 1.00 11.20 H new ATOM 0 HA ILE A 90 -0.550 -7.855 -5.994 1.00 22.43 H new ATOM 0 HB ILE A 90 1.677 -8.065 -6.857 1.00 65.15 H new ATOM 0 HG12 ILE A 90 1.376 -5.221 -5.880 1.00 44.53 H new ATOM 0 HG13 ILE A 90 1.082 -6.601 -4.841 1.00 44.53 H new ATOM 0 HG21 ILE A 90 2.727 -6.209 -8.174 1.00 34.42 H new ATOM 0 HG22 ILE A 90 1.487 -7.102 -9.086 1.00 34.42 H new ATOM 0 HG23 ILE A 90 1.110 -5.503 -8.404 1.00 34.42 H new ATOM 0 HD11 ILE A 90 3.426 -5.820 -4.619 1.00 44.52 H new ATOM 0 HD12 ILE A 90 3.380 -7.459 -5.309 1.00 44.52 H new ATOM 0 HD13 ILE A 90 3.678 -6.058 -6.364 1.00 44.52 H new ATOM 1285 N TRP A 91 -1.854 -5.790 -6.033 1.00 50.42 N ATOM 1286 CA TRP A 91 -2.645 -4.558 -5.971 1.00 4.31 C ATOM 1287 C TRP A 91 -1.697 -3.370 -5.817 1.00 45.55 C ATOM 1288 O TRP A 91 -0.563 -3.530 -5.363 1.00 3.40 O ATOM 1289 CB TRP A 91 -3.609 -4.609 -4.776 1.00 54.22 C ATOM 1290 CG TRP A 91 -4.864 -5.410 -4.868 1.00 65.13 C ATOM 1291 CD1 TRP A 91 -4.902 -6.743 -4.983 1.00 4.54 C ATOM 1292 CD2 TRP A 91 -6.267 -5.012 -4.837 1.00 75.42 C ATOM 1293 NE1 TRP A 91 -6.182 -7.207 -4.850 1.00 45.53 N ATOM 1294 CE2 TRP A 91 -7.092 -6.174 -4.828 1.00 61.03 C ATOM 1295 CE3 TRP A 91 -6.926 -3.776 -4.892 1.00 24.23 C ATOM 1296 CZ2 TRP A 91 -8.492 -6.092 -4.847 1.00 40.42 C ATOM 1297 CZ3 TRP A 91 -8.327 -3.670 -4.920 1.00 52.44 C ATOM 1298 CH2 TRP A 91 -9.110 -4.831 -4.892 1.00 42.42 C ATOM 0 H TRP A 91 -1.816 -6.289 -5.144 1.00 50.42 H new ATOM 0 HA TRP A 91 -3.228 -4.453 -6.886 1.00 4.31 H new ATOM 0 HB2 TRP A 91 -3.047 -4.983 -3.921 1.00 54.22 H new ATOM 0 HB3 TRP A 91 -3.895 -3.583 -4.545 1.00 54.22 H new ATOM 0 HD1 TRP A 91 -4.039 -7.368 -5.157 1.00 4.54 H new ATOM 0 HE1 TRP A 91 -6.431 -8.193 -4.776 1.00 45.53 H new ATOM 0 HE3 TRP A 91 -6.335 -2.872 -4.914 1.00 24.23 H new ATOM 0 HZ2 TRP A 91 -9.090 -6.991 -4.827 1.00 40.42 H new ATOM 0 HZ3 TRP A 91 -8.797 -2.699 -4.963 1.00 52.44 H new ATOM 0 HH2 TRP A 91 -10.187 -4.757 -4.905 1.00 42.42 H new ATOM 1308 N VAL A 92 -2.167 -2.164 -6.131 1.00 3.20 N ATOM 1309 CA VAL A 92 -1.369 -0.945 -6.051 1.00 2.14 C ATOM 1310 C VAL A 92 -2.285 0.119 -5.464 1.00 33.42 C ATOM 1311 O VAL A 92 -3.179 0.606 -6.149 1.00 63.21 O ATOM 1312 CB VAL A 92 -0.816 -0.571 -7.443 1.00 34.34 C ATOM 1313 CG1 VAL A 92 0.019 0.715 -7.374 1.00 44.12 C ATOM 1314 CG2 VAL A 92 0.092 -1.668 -8.026 1.00 54.35 C ATOM 0 H VAL A 92 -3.122 -2.006 -6.451 1.00 3.20 H new ATOM 0 HA VAL A 92 -0.490 -1.063 -5.417 1.00 2.14 H new ATOM 0 HB VAL A 92 -1.689 -0.439 -8.082 1.00 34.34 H new ATOM 0 HG11 VAL A 92 0.397 0.957 -8.367 1.00 44.12 H new ATOM 0 HG12 VAL A 92 -0.603 1.534 -7.013 1.00 44.12 H new ATOM 0 HG13 VAL A 92 0.857 0.569 -6.692 1.00 44.12 H new ATOM 0 HG21 VAL A 92 0.455 -1.357 -9.005 1.00 54.35 H new ATOM 0 HG22 VAL A 92 0.939 -1.831 -7.360 1.00 54.35 H new ATOM 0 HG23 VAL A 92 -0.474 -2.594 -8.126 1.00 54.35 H new ATOM 1324 N VAL A 93 -2.169 0.405 -4.171 1.00 53.14 N ATOM 1325 CA VAL A 93 -2.886 1.504 -3.539 1.00 51.51 C ATOM 1326 C VAL A 93 -2.028 2.763 -3.725 1.00 4.34 C ATOM 1327 O VAL A 93 -0.819 2.726 -3.472 1.00 65.02 O ATOM 1328 CB VAL A 93 -3.149 1.210 -2.047 1.00 22.30 C ATOM 1329 CG1 VAL A 93 -4.157 2.213 -1.492 1.00 43.51 C ATOM 1330 CG2 VAL A 93 -3.710 -0.189 -1.748 1.00 71.25 C ATOM 0 H VAL A 93 -1.573 -0.121 -3.532 1.00 53.14 H new ATOM 0 HA VAL A 93 -3.865 1.643 -3.997 1.00 51.51 H new ATOM 0 HB VAL A 93 -2.168 1.282 -1.578 1.00 22.30 H new ATOM 0 HG11 VAL A 93 -4.339 2.001 -0.438 1.00 43.51 H new ATOM 0 HG12 VAL A 93 -3.760 3.223 -1.595 1.00 43.51 H new ATOM 0 HG13 VAL A 93 -5.093 2.132 -2.045 1.00 43.51 H new ATOM 0 HG21 VAL A 93 -3.861 -0.299 -0.674 1.00 71.25 H new ATOM 0 HG22 VAL A 93 -4.662 -0.317 -2.263 1.00 71.25 H new ATOM 0 HG23 VAL A 93 -3.006 -0.945 -2.095 1.00 71.25 H new ATOM 1340 N GLU A 94 -2.670 3.853 -4.143 1.00 74.24 N ATOM 1341 CA GLU A 94 -2.073 5.137 -4.478 1.00 12.12 C ATOM 1342 C GLU A 94 -2.681 6.185 -3.548 1.00 31.12 C ATOM 1343 O GLU A 94 -3.862 6.501 -3.697 1.00 12.14 O ATOM 1344 CB GLU A 94 -2.394 5.437 -5.952 1.00 12.22 C ATOM 1345 CG GLU A 94 -1.458 4.710 -6.924 1.00 71.23 C ATOM 1346 CD GLU A 94 -0.143 5.465 -7.076 1.00 50.13 C ATOM 1347 OE1 GLU A 94 -0.166 6.541 -7.712 1.00 5.50 O ATOM 1348 OE2 GLU A 94 0.926 5.000 -6.619 1.00 24.12 O ATOM 0 H GLU A 94 -3.683 3.859 -4.263 1.00 74.24 H new ATOM 0 HA GLU A 94 -0.990 5.138 -4.351 1.00 12.12 H new ATOM 0 HB2 GLU A 94 -3.424 5.147 -6.161 1.00 12.22 H new ATOM 0 HB3 GLU A 94 -2.324 6.511 -6.123 1.00 12.22 H new ATOM 0 HG2 GLU A 94 -1.263 3.701 -6.562 1.00 71.23 H new ATOM 0 HG3 GLU A 94 -1.941 4.612 -7.896 1.00 71.23 H new ATOM 1353 N ILE A 95 -1.926 6.644 -2.540 1.00 54.32 N ATOM 1354 CA ILE A 95 -2.402 7.519 -1.467 1.00 14.01 C ATOM 1355 C ILE A 95 -1.553 8.791 -1.492 1.00 64.21 C ATOM 1356 O ILE A 95 -0.423 8.804 -0.991 1.00 72.11 O ATOM 1357 CB ILE A 95 -2.364 6.804 -0.085 1.00 23.13 C ATOM 1358 CG1 ILE A 95 -3.013 5.403 -0.086 1.00 44.35 C ATOM 1359 CG2 ILE A 95 -2.991 7.670 1.029 1.00 35.40 C ATOM 1360 CD1 ILE A 95 -4.450 5.387 -0.621 1.00 41.31 C ATOM 0 H ILE A 95 -0.938 6.408 -2.449 1.00 54.32 H new ATOM 0 HA ILE A 95 -3.448 7.780 -1.627 1.00 14.01 H new ATOM 0 HB ILE A 95 -1.303 6.663 0.123 1.00 23.13 H new ATOM 0 HG12 ILE A 95 -2.403 4.731 -0.689 1.00 44.35 H new ATOM 0 HG13 ILE A 95 -3.009 5.010 0.931 1.00 44.35 H new ATOM 0 HG21 ILE A 95 -2.944 7.134 1.977 1.00 35.40 H new ATOM 0 HG22 ILE A 95 -2.441 8.607 1.115 1.00 35.40 H new ATOM 0 HG23 ILE A 95 -4.032 7.882 0.783 1.00 35.40 H new ATOM 0 HD11 ILE A 95 -4.838 4.369 -0.591 1.00 41.31 H new ATOM 0 HD12 ILE A 95 -5.075 6.032 -0.004 1.00 41.31 H new ATOM 0 HD13 ILE A 95 -4.459 5.748 -1.649 1.00 41.31 H new ATOM 1371 N GLU A 96 -2.078 9.860 -2.092 1.00 51.33 N ATOM 1372 CA GLU A 96 -1.473 11.184 -2.029 1.00 74.44 C ATOM 1373 C GLU A 96 -2.053 11.906 -0.814 1.00 44.01 C ATOM 1374 O GLU A 96 -3.003 12.688 -0.928 1.00 54.24 O ATOM 1375 CB GLU A 96 -1.719 11.972 -3.321 1.00 54.04 C ATOM 1376 CG GLU A 96 -0.920 11.401 -4.493 1.00 14.30 C ATOM 1377 CD GLU A 96 -1.035 12.285 -5.742 1.00 53.32 C ATOM 1378 OE1 GLU A 96 -2.167 12.516 -6.228 1.00 3.33 O ATOM 1379 OE2 GLU A 96 0.002 12.800 -6.227 1.00 2.03 O ATOM 0 H GLU A 96 -2.939 9.828 -2.637 1.00 51.33 H new ATOM 0 HA GLU A 96 -0.391 11.096 -1.926 1.00 74.44 H new ATOM 0 HB2 GLU A 96 -2.782 11.953 -3.562 1.00 54.04 H new ATOM 0 HB3 GLU A 96 -1.445 13.016 -3.168 1.00 54.04 H new ATOM 0 HG2 GLU A 96 0.128 11.308 -4.208 1.00 14.30 H new ATOM 0 HG3 GLU A 96 -1.278 10.398 -4.723 1.00 14.30 H new ATOM 1384 N ASP A 97 -1.496 11.626 0.362 1.00 40.13 N ATOM 1385 CA ASP A 97 -1.873 12.290 1.603 1.00 54.11 C ATOM 1386 C ASP A 97 -0.970 13.503 1.847 1.00 61.12 C ATOM 1387 O ASP A 97 0.045 13.690 1.171 1.00 31.24 O ATOM 1388 CB ASP A 97 -1.788 11.282 2.754 1.00 2.13 C ATOM 1389 CG ASP A 97 -2.362 11.887 4.024 1.00 20.53 C ATOM 1390 OD1 ASP A 97 -3.552 12.255 4.029 1.00 74.34 O ATOM 1391 OD2 ASP A 97 -1.608 12.073 5.000 1.00 52.24 O ATOM 0 H ASP A 97 -0.764 10.925 0.479 1.00 40.13 H new ATOM 0 HA ASP A 97 -2.898 12.655 1.536 1.00 54.11 H new ATOM 0 HB2 ASP A 97 -2.335 10.376 2.495 1.00 2.13 H new ATOM 0 HB3 ASP A 97 -0.750 10.992 2.917 1.00 2.13 H new ATOM 1395 N ARG A 98 -1.323 14.359 2.805 1.00 33.32 N ATOM 1396 CA ARG A 98 -0.452 15.441 3.246 1.00 54.05 C ATOM 1397 C ARG A 98 0.515 14.948 4.297 1.00 12.44 C ATOM 1398 O ARG A 98 1.717 15.069 4.102 1.00 23.53 O ATOM 1399 CB ARG A 98 -1.280 16.647 3.698 1.00 1.41 C ATOM 1400 CG ARG A 98 -2.019 17.277 2.501 1.00 75.31 C ATOM 1401 CD ARG A 98 -2.293 18.771 2.699 1.00 41.21 C ATOM 1402 NE ARG A 98 -1.066 19.588 2.672 1.00 61.33 N ATOM 1403 CZ ARG A 98 -0.400 19.996 1.584 1.00 40.33 C ATOM 1404 NH1 ARG A 98 -0.788 19.655 0.359 1.00 52.13 N ATOM 1405 NH2 ARG A 98 0.674 20.760 1.732 1.00 71.44 N ATOM 0 H ARG A 98 -2.217 14.320 3.294 1.00 33.32 H new ATOM 0 HA ARG A 98 0.155 15.783 2.408 1.00 54.05 H new ATOM 0 HB2 ARG A 98 -2.001 16.337 4.455 1.00 1.41 H new ATOM 0 HB3 ARG A 98 -0.629 17.388 4.162 1.00 1.41 H new ATOM 0 HG2 ARG A 98 -1.426 17.137 1.598 1.00 75.31 H new ATOM 0 HG3 ARG A 98 -2.963 16.755 2.346 1.00 75.31 H new ATOM 0 HD2 ARG A 98 -2.971 19.117 1.919 1.00 41.21 H new ATOM 0 HD3 ARG A 98 -2.801 18.919 3.652 1.00 41.21 H new ATOM 0 HE ARG A 98 -0.685 19.872 3.575 1.00 61.33 H new ATOM 0 HH11 ARG A 98 -1.612 19.068 0.230 1.00 52.13 H new ATOM 0 HH12 ARG A 98 -0.262 19.980 -0.452 1.00 52.13 H new ATOM 0 HH21 ARG A 98 0.983 21.030 2.666 1.00 71.44 H new ATOM 0 HH22 ARG A 98 1.191 21.078 0.912 1.00 71.44 H new ATOM 1416 N ASP A 99 0.012 14.412 5.398 1.00 4.42 N ATOM 1417 CA ASP A 99 0.791 14.111 6.596 1.00 64.14 C ATOM 1418 C ASP A 99 1.391 12.694 6.533 1.00 61.42 C ATOM 1419 O ASP A 99 1.727 12.120 7.568 1.00 41.02 O ATOM 1420 CB ASP A 99 -0.112 14.338 7.823 1.00 14.13 C ATOM 1421 CG ASP A 99 0.562 14.932 9.067 1.00 11.22 C ATOM 1422 OD1 ASP A 99 1.743 15.355 9.035 1.00 42.45 O ATOM 1423 OD2 ASP A 99 -0.210 15.168 10.034 1.00 23.41 O ATOM 0 H ASP A 99 -0.974 14.167 5.489 1.00 4.42 H new ATOM 0 HA ASP A 99 1.650 14.778 6.672 1.00 64.14 H new ATOM 0 HB2 ASP A 99 -0.928 14.998 7.529 1.00 14.13 H new ATOM 0 HB3 ASP A 99 -0.558 13.383 8.100 1.00 14.13 H new ATOM 1427 N GLY A 100 1.488 12.107 5.332 1.00 3.04 N ATOM 1428 CA GLY A 100 2.159 10.836 5.088 1.00 2.24 C ATOM 1429 C GLY A 100 1.329 9.619 5.475 1.00 53.41 C ATOM 1430 O GLY A 100 1.913 8.575 5.795 1.00 3.24 O ATOM 0 H GLY A 100 1.090 12.518 4.487 1.00 3.04 H new ATOM 0 HA2 GLY A 100 2.415 10.768 4.031 1.00 2.24 H new ATOM 0 HA3 GLY A 100 3.096 10.817 5.645 1.00 2.24 H new ATOM 1434 N ARG A 101 -0.004 9.728 5.525 1.00 74.55 N ATOM 1435 CA ARG A 101 -0.823 8.640 6.049 1.00 61.24 C ATOM 1436 C ARG A 101 -0.903 7.498 5.060 1.00 43.35 C ATOM 1437 O ARG A 101 -0.938 7.686 3.849 1.00 15.23 O ATOM 1438 CB ARG A 101 -2.238 9.098 6.409 1.00 43.22 C ATOM 1439 CG ARG A 101 -2.193 9.994 7.640 1.00 15.21 C ATOM 1440 CD ARG A 101 -3.582 10.194 8.254 1.00 44.34 C ATOM 1441 NE ARG A 101 -3.448 11.047 9.454 1.00 12.43 N ATOM 1442 CZ ARG A 101 -2.787 10.649 10.552 1.00 11.41 C ATOM 1443 NH1 ARG A 101 -2.655 9.350 10.819 1.00 51.43 N ATOM 1444 NH2 ARG A 101 -2.257 11.549 11.373 1.00 33.11 N ATOM 0 H ARG A 101 -0.527 10.546 5.213 1.00 74.55 H new ATOM 0 HA ARG A 101 -0.334 8.299 6.962 1.00 61.24 H new ATOM 0 HB2 ARG A 101 -2.680 9.638 5.571 1.00 43.22 H new ATOM 0 HB3 ARG A 101 -2.872 8.233 6.601 1.00 43.22 H new ATOM 0 HG2 ARG A 101 -1.527 9.556 8.384 1.00 15.21 H new ATOM 0 HG3 ARG A 101 -1.774 10.963 7.368 1.00 15.21 H new ATOM 0 HD2 ARG A 101 -4.252 10.660 7.531 1.00 44.34 H new ATOM 0 HD3 ARG A 101 -4.020 9.232 8.520 1.00 44.34 H new ATOM 0 HE ARG A 101 -3.874 11.974 9.447 1.00 12.43 H new ATOM 0 HH11 ARG A 101 -3.057 8.656 10.188 1.00 51.43 H new ATOM 0 HH12 ARG A 101 -2.152 9.050 11.654 1.00 51.43 H new ATOM 0 HH21 ARG A 101 -2.352 12.544 11.169 1.00 33.11 H new ATOM 0 HH22 ARG A 101 -1.755 11.245 12.207 1.00 33.11 H new ATOM 1455 N HIS A 102 -1.027 6.303 5.628 1.00 35.34 N ATOM 1456 CA HIS A 102 -1.272 5.065 4.916 1.00 15.03 C ATOM 1457 C HIS A 102 -2.730 4.627 5.094 1.00 13.20 C ATOM 1458 O HIS A 102 -3.218 3.878 4.257 1.00 61.25 O ATOM 1459 CB HIS A 102 -0.267 4.005 5.402 1.00 15.22 C ATOM 1460 CG HIS A 102 -0.198 3.880 6.908 1.00 73.41 C ATOM 1461 ND1 HIS A 102 -0.930 3.026 7.704 1.00 40.45 N ATOM 1462 CD2 HIS A 102 0.546 4.680 7.735 1.00 0.32 C ATOM 1463 CE1 HIS A 102 -0.662 3.334 8.987 1.00 32.32 C ATOM 1464 NE2 HIS A 102 0.214 4.349 9.049 1.00 62.34 N ATOM 0 H HIS A 102 -0.956 6.171 6.637 1.00 35.34 H new ATOM 0 HA HIS A 102 -1.122 5.204 3.845 1.00 15.03 H new ATOM 0 HB2 HIS A 102 -0.538 3.038 4.978 1.00 15.22 H new ATOM 0 HB3 HIS A 102 0.723 4.254 5.021 1.00 15.22 H new ATOM 0 HD2 HIS A 102 1.259 5.430 7.426 1.00 0.32 H new ATOM 0 HE1 HIS A 102 -1.091 2.836 9.844 1.00 32.32 H new ATOM 0 HE2 HIS A 102 0.569 4.794 9.895 1.00 62.34 H new ATOM 1471 N PHE A 103 -3.444 5.078 6.145 1.00 11.10 N ATOM 1472 CA PHE A 103 -4.874 4.811 6.399 1.00 23.22 C ATOM 1473 C PHE A 103 -5.250 3.307 6.466 1.00 60.33 C ATOM 1474 O PHE A 103 -6.435 2.952 6.523 1.00 74.21 O ATOM 1475 CB PHE A 103 -5.724 5.637 5.413 1.00 61.55 C ATOM 1476 CG PHE A 103 -5.904 7.113 5.747 1.00 33.34 C ATOM 1477 CD1 PHE A 103 -6.815 7.501 6.748 1.00 14.20 C ATOM 1478 CD2 PHE A 103 -5.217 8.110 5.020 1.00 61.54 C ATOM 1479 CE1 PHE A 103 -7.058 8.864 7.000 1.00 1.03 C ATOM 1480 CE2 PHE A 103 -5.486 9.469 5.252 1.00 31.21 C ATOM 1481 CZ PHE A 103 -6.413 9.849 6.235 1.00 42.11 C ATOM 0 H PHE A 103 -3.024 5.661 6.869 1.00 11.10 H new ATOM 0 HA PHE A 103 -5.104 5.144 7.411 1.00 23.22 H new ATOM 0 HB2 PHE A 103 -5.270 5.563 4.425 1.00 61.55 H new ATOM 0 HB3 PHE A 103 -6.711 5.179 5.345 1.00 61.55 H new ATOM 0 HD1 PHE A 103 -7.330 6.748 7.326 1.00 14.20 H new ATOM 0 HD2 PHE A 103 -4.481 7.826 4.282 1.00 61.54 H new ATOM 0 HE1 PHE A 103 -7.742 9.153 7.784 1.00 1.03 H new ATOM 0 HE2 PHE A 103 -4.977 10.225 4.672 1.00 31.21 H new ATOM 0 HZ PHE A 103 -6.629 10.894 6.402 1.00 42.11 H new ATOM 1490 N LEU A 104 -4.252 2.417 6.522 1.00 72.24 N ATOM 1491 CA LEU A 104 -4.353 0.961 6.687 1.00 71.05 C ATOM 1492 C LEU A 104 -4.894 0.612 8.082 1.00 64.52 C ATOM 1493 O LEU A 104 -4.943 1.475 8.963 1.00 32.22 O ATOM 1494 CB LEU A 104 -2.962 0.311 6.468 1.00 33.21 C ATOM 1495 CG LEU A 104 -2.336 0.600 5.085 1.00 71.25 C ATOM 1496 CD1 LEU A 104 -0.848 0.230 5.039 1.00 54.13 C ATOM 1497 CD2 LEU A 104 -3.108 -0.098 3.966 1.00 63.13 C ATOM 0 H LEU A 104 -3.280 2.718 6.448 1.00 72.24 H new ATOM 0 HA LEU A 104 -5.049 0.570 5.945 1.00 71.05 H new ATOM 0 HB2 LEU A 104 -2.282 0.665 7.243 1.00 33.21 H new ATOM 0 HB3 LEU A 104 -3.054 -0.768 6.594 1.00 33.21 H new ATOM 0 HG LEU A 104 -2.409 1.676 4.924 1.00 71.25 H new ATOM 0 HD11 LEU A 104 -0.449 0.450 4.049 1.00 54.13 H new ATOM 0 HD12 LEU A 104 -0.306 0.810 5.786 1.00 54.13 H new ATOM 0 HD13 LEU A 104 -0.731 -0.833 5.250 1.00 54.13 H new ATOM 0 HD21 LEU A 104 -2.641 0.126 3.007 1.00 63.13 H new ATOM 0 HD22 LEU A 104 -3.096 -1.175 4.132 1.00 63.13 H new ATOM 0 HD23 LEU A 104 -4.139 0.256 3.959 1.00 63.13 H new ATOM 1508 N THR A 105 -5.251 -0.654 8.318 1.00 11.13 N ATOM 1509 CA THR A 105 -5.688 -1.152 9.627 1.00 11.14 C ATOM 1510 C THR A 105 -4.628 -2.061 10.265 1.00 42.23 C ATOM 1511 O THR A 105 -4.825 -2.516 11.392 1.00 40.03 O ATOM 1512 CB THR A 105 -7.090 -1.802 9.515 1.00 71.14 C ATOM 1513 OG1 THR A 105 -7.604 -2.079 10.807 1.00 0.32 O ATOM 1514 CG2 THR A 105 -7.170 -3.113 8.731 1.00 44.25 C ATOM 0 H THR A 105 -5.245 -1.373 7.595 1.00 11.13 H new ATOM 0 HA THR A 105 -5.792 -0.312 10.313 1.00 11.14 H new ATOM 0 HB THR A 105 -7.665 -1.059 8.962 1.00 71.14 H new ATOM 0 HG1 THR A 105 -6.865 -2.295 11.414 1.00 0.32 H new ATOM 0 HG21 THR A 105 -8.200 -3.470 8.723 1.00 44.25 H new ATOM 0 HG22 THR A 105 -6.836 -2.946 7.707 1.00 44.25 H new ATOM 0 HG23 THR A 105 -6.532 -3.859 9.204 1.00 44.25 H new ATOM 1522 N GLU A 106 -3.519 -2.325 9.581 1.00 63.23 N ATOM 1523 CA GLU A 106 -2.621 -3.448 9.837 1.00 60.22 C ATOM 1524 C GLU A 106 -1.241 -2.961 10.289 1.00 31.41 C ATOM 1525 O GLU A 106 -0.907 -1.800 10.040 1.00 4.33 O ATOM 1526 CB GLU A 106 -2.513 -4.219 8.518 1.00 13.43 C ATOM 1527 CG GLU A 106 -3.824 -4.944 8.224 1.00 62.31 C ATOM 1528 CD GLU A 106 -3.896 -5.515 6.815 1.00 24.13 C ATOM 1529 OE1 GLU A 106 -3.750 -4.734 5.847 1.00 72.45 O ATOM 1530 OE2 GLU A 106 -4.237 -6.711 6.696 1.00 35.11 O ATOM 0 H GLU A 106 -3.209 -1.741 8.804 1.00 63.23 H new ATOM 0 HA GLU A 106 -3.006 -4.079 10.638 1.00 60.22 H new ATOM 0 HB2 GLU A 106 -2.278 -3.532 7.705 1.00 13.43 H new ATOM 0 HB3 GLU A 106 -1.696 -4.938 8.574 1.00 13.43 H new ATOM 0 HG2 GLU A 106 -3.952 -5.753 8.943 1.00 62.31 H new ATOM 0 HG3 GLU A 106 -4.654 -4.253 8.371 1.00 62.31 H new ATOM 1535 N PRO A 107 -0.423 -3.828 10.914 1.00 60.32 N ATOM 1536 CA PRO A 107 0.930 -3.478 11.321 1.00 64.32 C ATOM 1537 C PRO A 107 1.806 -3.195 10.102 1.00 62.54 C ATOM 1538 O PRO A 107 1.947 -4.043 9.217 1.00 54.31 O ATOM 1539 CB PRO A 107 1.449 -4.669 12.134 1.00 53.21 C ATOM 1540 CG PRO A 107 0.610 -5.846 11.643 1.00 1.21 C ATOM 1541 CD PRO A 107 -0.731 -5.197 11.311 1.00 62.24 C ATOM 0 HA PRO A 107 0.949 -2.567 11.920 1.00 64.32 H new ATOM 0 HB2 PRO A 107 2.512 -4.837 11.961 1.00 53.21 H new ATOM 0 HB3 PRO A 107 1.322 -4.507 13.204 1.00 53.21 H new ATOM 0 HG2 PRO A 107 1.055 -6.322 10.769 1.00 1.21 H new ATOM 0 HG3 PRO A 107 0.508 -6.616 12.408 1.00 1.21 H new ATOM 0 HD2 PRO A 107 -1.236 -5.733 10.507 1.00 62.24 H new ATOM 0 HD3 PRO A 107 -1.397 -5.213 12.173 1.00 62.24 H new ATOM 1546 N VAL A 108 2.422 -2.019 10.092 1.00 71.55 N ATOM 1547 CA VAL A 108 3.374 -1.544 9.104 1.00 11.11 C ATOM 1548 C VAL A 108 4.716 -1.264 9.785 1.00 11.00 C ATOM 1549 O VAL A 108 4.736 -0.788 10.922 1.00 51.23 O ATOM 1550 CB VAL A 108 2.732 -0.384 8.303 1.00 61.12 C ATOM 1551 CG1 VAL A 108 1.970 0.644 9.140 1.00 73.53 C ATOM 1552 CG2 VAL A 108 3.764 0.340 7.432 1.00 32.34 C ATOM 0 H VAL A 108 2.256 -1.328 10.824 1.00 71.55 H new ATOM 0 HA VAL A 108 3.614 -2.294 8.350 1.00 11.11 H new ATOM 0 HB VAL A 108 1.990 -0.882 7.679 1.00 61.12 H new ATOM 0 HG11 VAL A 108 1.560 1.413 8.486 1.00 73.53 H new ATOM 0 HG12 VAL A 108 1.158 0.149 9.673 1.00 73.53 H new ATOM 0 HG13 VAL A 108 2.649 1.103 9.859 1.00 73.53 H new ATOM 0 HG21 VAL A 108 3.276 1.147 6.885 1.00 32.34 H new ATOM 0 HG22 VAL A 108 4.549 0.753 8.065 1.00 32.34 H new ATOM 0 HG23 VAL A 108 4.202 -0.365 6.725 1.00 32.34 H new ATOM 1562 N GLU A 109 5.827 -1.634 9.146 1.00 22.40 N ATOM 1563 CA GLU A 109 7.182 -1.554 9.695 1.00 61.42 C ATOM 1564 C GLU A 109 7.800 -0.148 9.552 1.00 54.33 C ATOM 1565 O GLU A 109 7.131 0.817 9.165 1.00 24.52 O ATOM 1566 CB GLU A 109 8.026 -2.664 9.017 1.00 32.40 C ATOM 1567 CG GLU A 109 8.088 -3.966 9.832 1.00 74.11 C ATOM 1568 CD GLU A 109 9.024 -3.904 11.049 1.00 1.34 C ATOM 1569 OE1 GLU A 109 9.057 -2.880 11.763 1.00 75.53 O ATOM 1570 OE2 GLU A 109 9.707 -4.911 11.354 1.00 32.13 O ATOM 0 H GLU A 109 5.808 -2.011 8.198 1.00 22.40 H new ATOM 0 HA GLU A 109 7.159 -1.722 10.772 1.00 61.42 H new ATOM 0 HB2 GLU A 109 7.608 -2.879 8.034 1.00 32.40 H new ATOM 0 HB3 GLU A 109 9.039 -2.294 8.859 1.00 32.40 H new ATOM 0 HG2 GLU A 109 7.083 -4.216 10.173 1.00 74.11 H new ATOM 0 HG3 GLU A 109 8.413 -4.775 9.178 1.00 74.11 H new ATOM 1575 N SER A 110 9.093 -0.037 9.880 1.00 64.33 N ATOM 1576 CA SER A 110 10.016 1.040 9.532 1.00 3.04 C ATOM 1577 C SER A 110 11.286 0.412 8.975 1.00 42.02 C ATOM 1578 O SER A 110 11.590 -0.756 9.318 1.00 44.31 O ATOM 1579 CB SER A 110 10.328 1.888 10.774 1.00 71.24 C ATOM 1580 OG SER A 110 9.814 3.203 10.653 1.00 41.12 O ATOM 0 H SER A 110 9.553 -0.756 10.439 1.00 64.33 H new ATOM 0 HA SER A 110 9.571 1.696 8.784 1.00 3.04 H new ATOM 0 HB2 SER A 110 9.903 1.411 11.657 1.00 71.24 H new ATOM 0 HB3 SER A 110 11.407 1.931 10.924 1.00 71.24 H new ATOM 0 HG SER A 110 10.029 3.714 11.461 1.00 41.12 H new TER 1585 SER A 110