USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 827 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 120 SER OG : rot -63:sc= 0.418 USER MOD Set 2.1: A 14 MET CE :methyl -179:sc= 0 (180deg=0) USER MOD Set 2.2: A 105 LYS NZ :NH3+ 145:sc= -0.708 (180deg=-0.917) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -151:sc= -0.152 (180deg=-0.718) USER MOD Single : A 4 THR OG1 : rot 133:sc= 0.716 USER MOD Single : A 11 SER OG : rot 170:sc= 0.127 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.76 F(o=-3.1!,f=-0.76) USER MOD Single : A 21 THR OG1 : rot -168:sc= -0.972 USER MOD Single : A 24 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.19) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 100:sc= -0.815 USER MOD Single : A 70 GLN : amide:sc= -0.591 X(o=-0.59,f=-0.4) USER MOD Single : A 72 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 74 TYR OH : rot 179:sc= 0.387 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -129:sc= -0.155 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 172:sc=-0.00149 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -130:sc= -0.328 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.498 -1.074 -1.197 1.00 33.53 N ATOM 2 CA MET A 1 2.386 0.076 -1.314 1.00 54.44 C ATOM 3 C MET A 1 3.843 -0.342 -1.147 1.00 11.25 C ATOM 4 O MET A 1 4.356 -0.402 -0.029 1.00 10.13 O ATOM 5 CB MET A 1 2.023 1.136 -0.272 1.00 24.34 C ATOM 6 CG MET A 1 0.534 1.427 -0.193 1.00 74.13 C ATOM 7 SD MET A 1 -0.105 2.188 -1.698 1.00 14.23 S ATOM 8 CE MET A 1 -0.240 3.898 -1.181 1.00 60.11 C ATOM 0 H1 MET A 1 0.642 -0.911 -1.765 1.00 33.53 H new ATOM 0 H2 MET A 1 1.985 -1.925 -1.542 1.00 33.53 H new ATOM 0 H3 MET A 1 1.232 -1.208 -0.200 1.00 33.53 H new ATOM 0 HA MET A 1 2.261 0.500 -2.310 1.00 54.44 H new ATOM 0 HB2 MET A 1 2.373 0.806 0.706 1.00 24.34 H new ATOM 0 HB3 MET A 1 2.553 2.059 -0.505 1.00 24.34 H new ATOM 0 HG2 MET A 1 -0.004 0.498 -0.003 1.00 74.13 H new ATOM 0 HG3 MET A 1 0.341 2.086 0.653 1.00 74.13 H new ATOM 0 HE1 MET A 1 -0.623 4.498 -2.006 1.00 60.11 H new ATOM 0 HE2 MET A 1 -0.922 3.969 -0.333 1.00 60.11 H new ATOM 0 HE3 MET A 1 0.743 4.268 -0.889 1.00 60.11 H new ATOM 18 N ILE A 2 4.503 -0.630 -2.263 1.00 4.12 N ATOM 19 CA ILE A 2 5.901 -1.042 -2.238 1.00 5.51 C ATOM 20 C ILE A 2 6.800 0.094 -1.761 1.00 25.04 C ATOM 21 O ILE A 2 7.110 1.014 -2.518 1.00 4.04 O ATOM 22 CB ILE A 2 6.376 -1.508 -3.627 1.00 51.41 C ATOM 23 CG1 ILE A 2 5.395 -2.527 -4.210 1.00 15.51 C ATOM 24 CG2 ILE A 2 7.774 -2.101 -3.538 1.00 33.44 C ATOM 25 CD1 ILE A 2 5.242 -3.771 -3.364 1.00 21.13 C ATOM 0 H ILE A 2 4.093 -0.586 -3.196 1.00 4.12 H new ATOM 0 HA ILE A 2 5.971 -1.876 -1.540 1.00 5.51 H new ATOM 0 HB ILE A 2 6.411 -0.644 -4.291 1.00 51.41 H new ATOM 0 HG12 ILE A 2 4.420 -2.055 -4.327 1.00 15.51 H new ATOM 0 HG13 ILE A 2 5.731 -2.814 -5.206 1.00 15.51 H new ATOM 0 HG21 ILE A 2 8.095 -2.426 -4.528 1.00 33.44 H new ATOM 0 HG22 ILE A 2 8.466 -1.347 -3.161 1.00 33.44 H new ATOM 0 HG23 ILE A 2 7.764 -2.955 -2.861 1.00 33.44 H new ATOM 0 HD11 ILE A 2 4.532 -4.448 -3.838 1.00 21.13 H new ATOM 0 HD12 ILE A 2 6.208 -4.267 -3.268 1.00 21.13 H new ATOM 0 HD13 ILE A 2 4.876 -3.496 -2.375 1.00 21.13 H new ATOM 37 N ARG A 3 7.217 0.022 -0.501 1.00 24.52 N ATOM 38 CA ARG A 3 8.082 1.043 0.078 1.00 51.12 C ATOM 39 C ARG A 3 9.547 0.624 -0.002 1.00 10.24 C ATOM 40 O ARG A 3 10.376 1.331 -0.576 1.00 23.42 O ATOM 41 CB ARG A 3 7.693 1.305 1.534 1.00 4.11 C ATOM 42 CG ARG A 3 7.868 2.754 1.960 1.00 62.41 C ATOM 43 CD ARG A 3 6.944 3.678 1.183 1.00 41.14 C ATOM 44 NE ARG A 3 6.643 4.900 1.923 1.00 3.32 N ATOM 45 CZ ARG A 3 5.930 5.904 1.426 1.00 51.34 C ATOM 46 NH1 ARG A 3 5.446 5.831 0.193 1.00 3.42 N ATOM 47 NH2 ARG A 3 5.699 6.984 2.161 1.00 15.04 N ATOM 0 H ARG A 3 6.970 -0.733 0.139 1.00 24.52 H new ATOM 0 HA ARG A 3 7.953 1.961 -0.496 1.00 51.12 H new ATOM 0 HB2 ARG A 3 6.653 1.015 1.681 1.00 4.11 H new ATOM 0 HB3 ARG A 3 8.296 0.669 2.182 1.00 4.11 H new ATOM 0 HG2 ARG A 3 7.665 2.848 3.027 1.00 62.41 H new ATOM 0 HG3 ARG A 3 8.903 3.058 1.804 1.00 62.41 H new ATOM 0 HD2 ARG A 3 7.407 3.936 0.230 1.00 41.14 H new ATOM 0 HD3 ARG A 3 6.016 3.154 0.955 1.00 41.14 H new ATOM 0 HE ARG A 3 7.000 4.987 2.874 1.00 3.32 H new ATOM 0 HH11 ARG A 3 5.621 5.002 -0.375 1.00 3.42 H new ATOM 0 HH12 ARG A 3 4.899 6.603 -0.187 1.00 3.42 H new ATOM 0 HH21 ARG A 3 6.069 7.044 3.110 1.00 15.04 H new ATOM 0 HH22 ARG A 3 5.151 7.754 1.778 1.00 15.04 H new ATOM 61 N THR A 4 9.860 -0.530 0.579 1.00 34.14 N ATOM 62 CA THR A 4 11.224 -1.043 0.576 1.00 11.52 C ATOM 63 C THR A 4 11.283 -2.444 -0.020 1.00 64.21 C ATOM 64 O THR A 4 10.272 -3.143 -0.089 1.00 12.05 O ATOM 65 CB THR A 4 11.815 -1.077 1.998 1.00 15.55 C ATOM 66 OG1 THR A 4 11.153 -2.078 2.780 1.00 43.13 O ATOM 67 CG2 THR A 4 11.673 0.278 2.676 1.00 54.11 C ATOM 0 H THR A 4 9.186 -1.127 1.058 1.00 34.14 H new ATOM 0 HA THR A 4 11.815 -0.364 -0.039 1.00 11.52 H new ATOM 0 HB THR A 4 12.875 -1.318 1.921 1.00 15.55 H new ATOM 0 HG1 THR A 4 11.821 -2.625 3.245 1.00 43.13 H new ATOM 0 HG21 THR A 4 12.097 0.229 3.679 1.00 54.11 H new ATOM 0 HG22 THR A 4 12.202 1.033 2.094 1.00 54.11 H new ATOM 0 HG23 THR A 4 10.618 0.543 2.741 1.00 54.11 H new ATOM 75 N ILE A 5 12.474 -2.849 -0.450 1.00 33.34 N ATOM 76 CA ILE A 5 12.664 -4.169 -1.038 1.00 42.04 C ATOM 77 C ILE A 5 14.031 -4.740 -0.677 1.00 44.14 C ATOM 78 O ILE A 5 15.037 -4.029 -0.694 1.00 23.13 O ATOM 79 CB ILE A 5 12.527 -4.126 -2.572 1.00 33.42 C ATOM 80 CG1 ILE A 5 11.147 -3.597 -2.967 1.00 74.54 C ATOM 81 CG2 ILE A 5 12.760 -5.509 -3.163 1.00 13.20 C ATOM 82 CD1 ILE A 5 10.973 -3.419 -4.459 1.00 72.14 C ATOM 0 H ILE A 5 13.321 -2.282 -0.402 1.00 33.34 H new ATOM 0 HA ILE A 5 11.885 -4.812 -0.629 1.00 42.04 H new ATOM 0 HB ILE A 5 13.283 -3.450 -2.972 1.00 33.42 H new ATOM 0 HG12 ILE A 5 10.385 -4.284 -2.600 1.00 74.54 H new ATOM 0 HG13 ILE A 5 10.978 -2.640 -2.473 1.00 74.54 H new ATOM 0 HG21 ILE A 5 12.660 -5.463 -4.247 1.00 13.20 H new ATOM 0 HG22 ILE A 5 13.762 -5.851 -2.905 1.00 13.20 H new ATOM 0 HG23 ILE A 5 12.025 -6.205 -2.760 1.00 13.20 H new ATOM 0 HD11 ILE A 5 9.972 -3.041 -4.666 1.00 72.14 H new ATOM 0 HD12 ILE A 5 11.712 -2.709 -4.829 1.00 72.14 H new ATOM 0 HD13 ILE A 5 11.109 -4.378 -4.958 1.00 72.14 H new ATOM 94 N LEU A 6 14.062 -6.028 -0.353 1.00 54.24 N ATOM 95 CA LEU A 6 15.306 -6.696 0.010 1.00 23.30 C ATOM 96 C LEU A 6 15.619 -7.830 -0.961 1.00 32.52 C ATOM 97 O LEU A 6 14.732 -8.591 -1.349 1.00 3.25 O ATOM 98 CB LEU A 6 15.218 -7.241 1.437 1.00 41.32 C ATOM 99 CG LEU A 6 16.507 -7.186 2.257 1.00 3.42 C ATOM 100 CD1 LEU A 6 17.581 -8.056 1.623 1.00 43.52 C ATOM 101 CD2 LEU A 6 16.992 -5.750 2.392 1.00 4.42 C ATOM 0 H LEU A 6 13.239 -6.631 -0.334 1.00 54.24 H new ATOM 0 HA LEU A 6 16.112 -5.964 -0.044 1.00 23.30 H new ATOM 0 HB2 LEU A 6 14.448 -6.684 1.970 1.00 41.32 H new ATOM 0 HB3 LEU A 6 14.886 -8.278 1.389 1.00 41.32 H new ATOM 0 HG LEU A 6 16.297 -7.573 3.254 1.00 3.42 H new ATOM 0 HD11 LEU A 6 18.491 -8.004 2.221 1.00 43.52 H new ATOM 0 HD12 LEU A 6 17.234 -9.088 1.579 1.00 43.52 H new ATOM 0 HD13 LEU A 6 17.789 -7.700 0.614 1.00 43.52 H new ATOM 0 HD21 LEU A 6 17.910 -5.730 2.979 1.00 4.42 H new ATOM 0 HD22 LEU A 6 17.185 -5.336 1.402 1.00 4.42 H new ATOM 0 HD23 LEU A 6 16.229 -5.154 2.892 1.00 4.42 H new ATOM 113 N ALA A 7 16.886 -7.939 -1.348 1.00 14.11 N ATOM 114 CA ALA A 7 17.316 -8.983 -2.270 1.00 11.22 C ATOM 115 C ALA A 7 18.647 -9.586 -1.833 1.00 75.32 C ATOM 116 O ALA A 7 19.444 -8.932 -1.161 1.00 23.54 O ATOM 117 CB ALA A 7 17.424 -8.428 -3.682 1.00 41.33 C ATOM 0 H ALA A 7 17.632 -7.317 -1.037 1.00 14.11 H new ATOM 0 HA ALA A 7 16.567 -9.775 -2.259 1.00 11.22 H new ATOM 0 HB1 ALA A 7 17.746 -9.218 -4.360 1.00 41.33 H new ATOM 0 HB2 ALA A 7 16.452 -8.051 -4.000 1.00 41.33 H new ATOM 0 HB3 ALA A 7 18.151 -7.616 -3.699 1.00 41.33 H new ATOM 123 N ILE A 8 18.879 -10.836 -2.219 1.00 71.32 N ATOM 124 CA ILE A 8 20.113 -11.527 -1.867 1.00 43.14 C ATOM 125 C ILE A 8 20.612 -12.386 -3.025 1.00 14.04 C ATOM 126 O ILE A 8 19.901 -13.268 -3.507 1.00 61.02 O ATOM 127 CB ILE A 8 19.926 -12.418 -0.625 1.00 53.22 C ATOM 128 CG1 ILE A 8 19.403 -11.589 0.550 1.00 43.52 C ATOM 129 CG2 ILE A 8 21.236 -13.099 -0.259 1.00 10.42 C ATOM 130 CD1 ILE A 8 17.895 -11.589 0.666 1.00 21.15 C ATOM 0 H ILE A 8 18.229 -11.391 -2.775 1.00 71.32 H new ATOM 0 HA ILE A 8 20.852 -10.758 -1.643 1.00 43.14 H new ATOM 0 HB ILE A 8 19.191 -13.189 -0.857 1.00 53.22 H new ATOM 0 HG12 ILE A 8 19.830 -11.975 1.475 1.00 43.52 H new ATOM 0 HG13 ILE A 8 19.751 -10.562 0.443 1.00 43.52 H new ATOM 0 HG21 ILE A 8 21.087 -13.725 0.621 1.00 10.42 H new ATOM 0 HG22 ILE A 8 21.570 -13.717 -1.092 1.00 10.42 H new ATOM 0 HG23 ILE A 8 21.991 -12.343 -0.043 1.00 10.42 H new ATOM 0 HD11 ILE A 8 17.596 -10.982 1.520 1.00 21.15 H new ATOM 0 HD12 ILE A 8 17.460 -11.175 -0.244 1.00 21.15 H new ATOM 0 HD13 ILE A 8 17.541 -12.610 0.805 1.00 21.15 H new ATOM 142 N ASP A 9 21.837 -12.123 -3.464 1.00 25.41 N ATOM 143 CA ASP A 9 22.433 -12.874 -4.563 1.00 20.41 C ATOM 144 C ASP A 9 23.955 -12.873 -4.460 1.00 41.12 C ATOM 145 O ASP A 9 24.540 -12.030 -3.781 1.00 4.45 O ATOM 146 CB ASP A 9 21.999 -12.285 -5.906 1.00 5.52 C ATOM 147 CG ASP A 9 20.492 -12.200 -6.042 1.00 31.35 C ATOM 148 OD1 ASP A 9 19.854 -13.256 -6.236 1.00 22.13 O ATOM 149 OD2 ASP A 9 19.950 -11.078 -5.954 1.00 73.54 O ATOM 0 H ASP A 9 22.437 -11.395 -3.076 1.00 25.41 H new ATOM 0 HA ASP A 9 22.084 -13.904 -4.498 1.00 20.41 H new ATOM 0 HB2 ASP A 9 22.428 -11.289 -6.018 1.00 5.52 H new ATOM 0 HB3 ASP A 9 22.400 -12.897 -6.714 1.00 5.52 H new ATOM 154 N ASP A 10 24.590 -13.823 -5.138 1.00 55.23 N ATOM 155 CA ASP A 10 26.044 -13.931 -5.124 1.00 33.45 C ATOM 156 C ASP A 10 26.648 -13.302 -6.375 1.00 3.34 C ATOM 157 O ASP A 10 27.713 -12.686 -6.319 1.00 52.02 O ATOM 158 CB ASP A 10 26.466 -15.398 -5.021 1.00 10.24 C ATOM 159 CG ASP A 10 27.801 -15.568 -4.322 1.00 74.30 C ATOM 160 OD1 ASP A 10 28.837 -15.588 -5.019 1.00 21.32 O ATOM 161 OD2 ASP A 10 27.809 -15.681 -3.079 1.00 11.35 O ATOM 0 H ASP A 10 24.120 -14.529 -5.704 1.00 55.23 H new ATOM 0 HA ASP A 10 26.416 -13.391 -4.253 1.00 33.45 H new ATOM 0 HB2 ASP A 10 25.702 -15.956 -4.480 1.00 10.24 H new ATOM 0 HB3 ASP A 10 26.525 -15.827 -6.021 1.00 10.24 H new ATOM 166 N SER A 11 25.962 -13.461 -7.502 1.00 25.41 N ATOM 167 CA SER A 11 26.434 -12.913 -8.768 1.00 3.21 C ATOM 168 C SER A 11 26.392 -11.388 -8.749 1.00 14.22 C ATOM 169 O SER A 11 25.320 -10.787 -8.685 1.00 13.21 O ATOM 170 CB SER A 11 25.586 -13.444 -9.926 1.00 4.55 C ATOM 171 OG SER A 11 25.636 -12.567 -11.038 1.00 23.01 O ATOM 0 H SER A 11 25.077 -13.965 -7.564 1.00 25.41 H new ATOM 0 HA SER A 11 27.468 -13.229 -8.910 1.00 3.21 H new ATOM 0 HB2 SER A 11 25.944 -14.431 -10.220 1.00 4.55 H new ATOM 0 HB3 SER A 11 24.553 -13.564 -9.599 1.00 4.55 H new ATOM 0 HG SER A 11 25.224 -13.000 -11.815 1.00 23.01 H new ATOM 177 N ALA A 12 27.566 -10.769 -8.804 1.00 42.44 N ATOM 178 CA ALA A 12 27.664 -9.314 -8.796 1.00 22.34 C ATOM 179 C ALA A 12 26.812 -8.700 -9.901 1.00 13.15 C ATOM 180 O ALA A 12 26.121 -7.703 -9.685 1.00 44.14 O ATOM 181 CB ALA A 12 29.116 -8.882 -8.944 1.00 74.30 C ATOM 0 H ALA A 12 28.463 -11.252 -8.855 1.00 42.44 H new ATOM 0 HA ALA A 12 27.285 -8.954 -7.839 1.00 22.34 H new ATOM 0 HB1 ALA A 12 29.174 -7.794 -8.936 1.00 74.30 H new ATOM 0 HB2 ALA A 12 29.701 -9.283 -8.116 1.00 74.30 H new ATOM 0 HB3 ALA A 12 29.514 -9.260 -9.886 1.00 74.30 H new ATOM 187 N THR A 13 26.864 -9.300 -11.086 1.00 23.45 N ATOM 188 CA THR A 13 26.099 -8.811 -12.225 1.00 35.11 C ATOM 189 C THR A 13 24.600 -8.893 -11.957 1.00 22.35 C ATOM 190 O THR A 13 23.840 -8.011 -12.354 1.00 12.15 O ATOM 191 CB THR A 13 26.424 -9.606 -13.504 1.00 31.05 C ATOM 192 OG1 THR A 13 27.827 -9.536 -13.780 1.00 22.41 O ATOM 193 CG2 THR A 13 25.641 -9.066 -14.691 1.00 13.14 C ATOM 0 H THR A 13 27.429 -10.126 -11.281 1.00 23.45 H new ATOM 0 HA THR A 13 26.383 -7.769 -12.372 1.00 35.11 H new ATOM 0 HB THR A 13 26.137 -10.645 -13.343 1.00 31.05 H new ATOM 0 HG1 THR A 13 28.026 -10.045 -14.593 1.00 22.41 H new ATOM 0 HG21 THR A 13 25.887 -9.643 -15.582 1.00 13.14 H new ATOM 0 HG22 THR A 13 24.573 -9.147 -14.490 1.00 13.14 H new ATOM 0 HG23 THR A 13 25.901 -8.020 -14.853 1.00 13.14 H new ATOM 201 N MET A 14 24.183 -9.958 -11.280 1.00 35.22 N ATOM 202 CA MET A 14 22.774 -10.154 -10.957 1.00 11.31 C ATOM 203 C MET A 14 22.331 -9.197 -9.855 1.00 10.14 C ATOM 204 O MET A 14 21.214 -8.680 -9.881 1.00 10.14 O ATOM 205 CB MET A 14 22.524 -11.600 -10.524 1.00 51.41 C ATOM 206 CG MET A 14 21.127 -12.100 -10.855 1.00 63.23 C ATOM 207 SD MET A 14 20.856 -12.278 -12.629 1.00 32.31 S ATOM 208 CE MET A 14 21.470 -13.939 -12.900 1.00 53.24 C ATOM 0 H MET A 14 24.800 -10.698 -10.945 1.00 35.22 H new ATOM 0 HA MET A 14 22.189 -9.945 -11.853 1.00 11.31 H new ATOM 0 HB2 MET A 14 23.257 -12.247 -11.007 1.00 51.41 H new ATOM 0 HB3 MET A 14 22.685 -11.682 -9.449 1.00 51.41 H new ATOM 0 HG2 MET A 14 20.965 -13.062 -10.368 1.00 63.23 H new ATOM 0 HG3 MET A 14 20.391 -11.407 -10.446 1.00 63.23 H new ATOM 0 HE1 MET A 14 21.386 -14.190 -13.957 1.00 53.24 H new ATOM 0 HE2 MET A 14 22.515 -13.995 -12.595 1.00 53.24 H new ATOM 0 HE3 MET A 14 20.883 -14.644 -12.312 1.00 53.24 H new ATOM 218 N ARG A 15 23.213 -8.966 -8.888 1.00 21.03 N ATOM 219 CA ARG A 15 22.912 -8.072 -7.776 1.00 34.51 C ATOM 220 C ARG A 15 22.714 -6.641 -8.267 1.00 34.42 C ATOM 221 O ARG A 15 21.873 -5.908 -7.748 1.00 51.51 O ATOM 222 CB ARG A 15 24.036 -8.116 -6.739 1.00 72.52 C ATOM 223 CG ARG A 15 23.801 -9.127 -5.629 1.00 32.15 C ATOM 224 CD ARG A 15 24.482 -8.703 -4.337 1.00 32.45 C ATOM 225 NE ARG A 15 25.866 -8.294 -4.556 1.00 43.04 N ATOM 226 CZ ARG A 15 26.854 -9.147 -4.805 1.00 41.51 C ATOM 227 NH1 ARG A 15 26.611 -10.449 -4.866 1.00 0.52 N ATOM 228 NH2 ARG A 15 28.088 -8.697 -4.994 1.00 62.13 N ATOM 0 H ARG A 15 24.142 -9.386 -8.852 1.00 21.03 H new ATOM 0 HA ARG A 15 21.986 -8.410 -7.312 1.00 34.51 H new ATOM 0 HB2 ARG A 15 24.974 -8.353 -7.242 1.00 72.52 H new ATOM 0 HB3 ARG A 15 24.151 -7.126 -6.298 1.00 72.52 H new ATOM 0 HG2 ARG A 15 22.730 -9.239 -5.458 1.00 32.15 H new ATOM 0 HG3 ARG A 15 24.178 -10.102 -5.937 1.00 32.15 H new ATOM 0 HD2 ARG A 15 23.927 -7.879 -3.889 1.00 32.45 H new ATOM 0 HD3 ARG A 15 24.456 -9.529 -3.626 1.00 32.45 H new ATOM 0 HE ARG A 15 26.087 -7.299 -4.516 1.00 43.04 H new ATOM 0 HH11 ARG A 15 25.664 -10.798 -4.722 1.00 0.52 H new ATOM 0 HH12 ARG A 15 27.371 -11.101 -5.057 1.00 0.52 H new ATOM 0 HH21 ARG A 15 28.278 -7.696 -4.948 1.00 62.13 H new ATOM 0 HH22 ARG A 15 28.846 -9.352 -5.185 1.00 62.13 H new ATOM 242 N ALA A 16 23.494 -6.252 -9.269 1.00 43.23 N ATOM 243 CA ALA A 16 23.404 -4.910 -9.831 1.00 52.10 C ATOM 244 C ALA A 16 22.189 -4.777 -10.743 1.00 34.13 C ATOM 245 O ALA A 16 21.417 -3.823 -10.631 1.00 63.23 O ATOM 246 CB ALA A 16 24.677 -4.569 -10.592 1.00 34.31 C ATOM 0 H ALA A 16 24.196 -6.847 -9.709 1.00 43.23 H new ATOM 0 HA ALA A 16 23.287 -4.206 -9.007 1.00 52.10 H new ATOM 0 HB1 ALA A 16 24.595 -3.564 -11.006 1.00 34.31 H new ATOM 0 HB2 ALA A 16 25.529 -4.614 -9.914 1.00 34.31 H new ATOM 0 HB3 ALA A 16 24.820 -5.285 -11.402 1.00 34.31 H new ATOM 252 N LEU A 17 22.024 -5.738 -11.645 1.00 32.44 N ATOM 253 CA LEU A 17 20.902 -5.729 -12.577 1.00 12.41 C ATOM 254 C LEU A 17 19.577 -5.589 -11.834 1.00 3.55 C ATOM 255 O LEU A 17 18.843 -4.619 -12.028 1.00 42.24 O ATOM 256 CB LEU A 17 20.897 -7.009 -13.414 1.00 22.25 C ATOM 257 CG LEU A 17 19.860 -7.074 -14.536 1.00 24.25 C ATOM 258 CD1 LEU A 17 18.493 -7.439 -13.978 1.00 41.34 C ATOM 259 CD2 LEU A 17 19.798 -5.750 -15.282 1.00 5.52 C ATOM 0 H LEU A 17 22.653 -6.534 -11.751 1.00 32.44 H new ATOM 0 HA LEU A 17 21.019 -4.870 -13.238 1.00 12.41 H new ATOM 0 HB2 LEU A 17 21.886 -7.136 -13.853 1.00 22.25 H new ATOM 0 HB3 LEU A 17 20.734 -7.855 -12.746 1.00 22.25 H new ATOM 0 HG LEU A 17 20.161 -7.850 -15.240 1.00 24.25 H new ATOM 0 HD11 LEU A 17 17.768 -7.481 -14.791 1.00 41.34 H new ATOM 0 HD12 LEU A 17 18.547 -8.412 -13.490 1.00 41.34 H new ATOM 0 HD13 LEU A 17 18.183 -6.686 -13.253 1.00 41.34 H new ATOM 0 HD21 LEU A 17 19.055 -5.815 -16.077 1.00 5.52 H new ATOM 0 HD22 LEU A 17 19.521 -4.955 -14.590 1.00 5.52 H new ATOM 0 HD23 LEU A 17 20.774 -5.530 -15.715 1.00 5.52 H new ATOM 271 N LEU A 18 19.278 -6.561 -10.980 1.00 25.24 N ATOM 272 CA LEU A 18 18.043 -6.546 -10.204 1.00 51.21 C ATOM 273 C LEU A 18 17.917 -5.252 -9.405 1.00 65.35 C ATOM 274 O LEU A 18 16.883 -4.585 -9.442 1.00 72.43 O ATOM 275 CB LEU A 18 17.995 -7.748 -9.260 1.00 22.31 C ATOM 276 CG LEU A 18 18.106 -9.124 -9.919 1.00 0.24 C ATOM 277 CD1 LEU A 18 18.180 -10.217 -8.864 1.00 11.54 C ATOM 278 CD2 LEU A 18 16.931 -9.363 -10.855 1.00 53.23 C ATOM 0 H LEU A 18 19.874 -7.370 -10.807 1.00 25.24 H new ATOM 0 HA LEU A 18 17.206 -6.605 -10.900 1.00 51.21 H new ATOM 0 HB2 LEU A 18 18.803 -7.648 -8.535 1.00 22.31 H new ATOM 0 HB3 LEU A 18 17.060 -7.709 -8.702 1.00 22.31 H new ATOM 0 HG LEU A 18 19.024 -9.151 -10.506 1.00 0.24 H new ATOM 0 HD11 LEU A 18 18.259 -11.189 -9.352 1.00 11.54 H new ATOM 0 HD12 LEU A 18 19.054 -10.056 -8.234 1.00 11.54 H new ATOM 0 HD13 LEU A 18 17.280 -10.191 -8.250 1.00 11.54 H new ATOM 0 HD21 LEU A 18 17.026 -10.347 -11.315 1.00 53.23 H new ATOM 0 HD22 LEU A 18 16.000 -9.315 -10.290 1.00 53.23 H new ATOM 0 HD23 LEU A 18 16.923 -8.598 -11.632 1.00 53.23 H new ATOM 290 N HIS A 19 18.979 -4.902 -8.685 1.00 75.14 N ATOM 291 CA HIS A 19 18.988 -3.686 -7.880 1.00 22.33 C ATOM 292 C HIS A 19 18.642 -2.468 -8.730 1.00 42.04 C ATOM 293 O HIS A 19 17.980 -1.542 -8.264 1.00 53.44 O ATOM 294 CB HIS A 19 20.357 -3.494 -7.225 1.00 54.12 C ATOM 295 CG HIS A 19 20.515 -2.168 -6.547 1.00 41.22 C ATOM 296 ND1 HIS A 19 19.769 -1.568 -5.590 1.00 0.11 N flip ATOM 297 CD2 HIS A 19 21.541 -1.293 -6.836 1.00 63.11 C flip ATOM 298 CE1 HIS A 19 20.353 -0.355 -5.320 1.00 64.14 C flip ATOM 299 NE2 HIS A 19 21.420 -0.213 -6.084 1.00 12.23 N flip ATOM 0 H HIS A 19 19.843 -5.443 -8.643 1.00 75.14 H new ATOM 0 HA HIS A 19 18.232 -3.789 -7.102 1.00 22.33 H new ATOM 0 HB2 HIS A 19 20.516 -4.288 -6.495 1.00 54.12 H new ATOM 0 HB3 HIS A 19 21.132 -3.599 -7.984 1.00 54.12 H new ATOM 0 HD2 HIS A 19 22.321 -1.464 -7.563 1.00 63.11 H new ATOM 0 HE1 HIS A 19 19.997 0.366 -4.599 1.00 64.14 H new ATOM 0 HE2 HIS A 19 22.045 0.593 -6.093 1.00 12.23 H new ATOM 307 N ALA A 20 19.096 -2.476 -9.979 1.00 60.35 N ATOM 308 CA ALA A 20 18.833 -1.373 -10.895 1.00 44.01 C ATOM 309 C ALA A 20 17.390 -1.398 -11.386 1.00 33.54 C ATOM 310 O ALA A 20 16.746 -0.356 -11.510 1.00 2.22 O ATOM 311 CB ALA A 20 19.794 -1.425 -12.074 1.00 3.04 C ATOM 0 H ALA A 20 19.648 -3.234 -10.380 1.00 60.35 H new ATOM 0 HA ALA A 20 18.989 -0.440 -10.354 1.00 44.01 H new ATOM 0 HB1 ALA A 20 19.586 -0.595 -12.750 1.00 3.04 H new ATOM 0 HB2 ALA A 20 20.819 -1.349 -11.711 1.00 3.04 H new ATOM 0 HB3 ALA A 20 19.666 -2.367 -12.606 1.00 3.04 H new ATOM 317 N THR A 21 16.885 -2.596 -11.664 1.00 62.55 N ATOM 318 CA THR A 21 15.518 -2.758 -12.143 1.00 42.54 C ATOM 319 C THR A 21 14.529 -2.039 -11.233 1.00 74.42 C ATOM 320 O THR A 21 13.802 -1.146 -11.671 1.00 73.51 O ATOM 321 CB THR A 21 15.127 -4.244 -12.236 1.00 60.53 C ATOM 322 OG1 THR A 21 16.304 -5.056 -12.325 1.00 35.05 O ATOM 323 CG2 THR A 21 14.240 -4.496 -13.446 1.00 15.00 C ATOM 0 H THR A 21 17.403 -3.469 -11.565 1.00 62.55 H new ATOM 0 HA THR A 21 15.478 -2.318 -13.139 1.00 42.54 H new ATOM 0 HB THR A 21 14.571 -4.507 -11.336 1.00 60.53 H new ATOM 0 HG1 THR A 21 16.053 -5.970 -12.573 1.00 35.05 H new ATOM 0 HG21 THR A 21 13.977 -5.553 -13.490 1.00 15.00 H new ATOM 0 HG22 THR A 21 13.332 -3.899 -13.362 1.00 15.00 H new ATOM 0 HG23 THR A 21 14.775 -4.217 -14.354 1.00 15.00 H new ATOM 331 N LEU A 22 14.505 -2.433 -9.965 1.00 23.42 N ATOM 332 CA LEU A 22 13.604 -1.826 -8.991 1.00 43.04 C ATOM 333 C LEU A 22 13.991 -0.375 -8.722 1.00 62.34 C ATOM 334 O LEU A 22 13.130 0.479 -8.518 1.00 12.44 O ATOM 335 CB LEU A 22 13.622 -2.621 -7.685 1.00 23.22 C ATOM 336 CG LEU A 22 12.898 -3.968 -7.708 1.00 52.54 C ATOM 337 CD1 LEU A 22 13.391 -4.859 -6.579 1.00 53.11 C ATOM 338 CD2 LEU A 22 11.393 -3.765 -7.612 1.00 53.13 C ATOM 0 H LEU A 22 15.099 -3.171 -9.587 1.00 23.42 H new ATOM 0 HA LEU A 22 12.596 -1.843 -9.405 1.00 43.04 H new ATOM 0 HB2 LEU A 22 14.661 -2.794 -7.403 1.00 23.22 H new ATOM 0 HB3 LEU A 22 13.178 -2.006 -6.903 1.00 23.22 H new ATOM 0 HG LEU A 22 13.119 -4.462 -8.654 1.00 52.54 H new ATOM 0 HD11 LEU A 22 12.864 -5.813 -6.612 1.00 53.11 H new ATOM 0 HD12 LEU A 22 14.461 -5.031 -6.692 1.00 53.11 H new ATOM 0 HD13 LEU A 22 13.201 -4.372 -5.622 1.00 53.11 H new ATOM 0 HD21 LEU A 22 10.893 -4.734 -7.630 1.00 53.13 H new ATOM 0 HD22 LEU A 22 11.154 -3.250 -6.681 1.00 53.13 H new ATOM 0 HD23 LEU A 22 11.052 -3.165 -8.456 1.00 53.13 H new ATOM 350 N ALA A 23 15.292 -0.105 -8.727 1.00 4.33 N ATOM 351 CA ALA A 23 15.793 1.243 -8.488 1.00 2.14 C ATOM 352 C ALA A 23 15.205 2.233 -9.487 1.00 72.24 C ATOM 353 O ALA A 23 14.652 3.263 -9.102 1.00 63.32 O ATOM 354 CB ALA A 23 17.313 1.261 -8.556 1.00 0.30 C ATOM 0 H ALA A 23 16.018 -0.802 -8.894 1.00 4.33 H new ATOM 0 HA ALA A 23 15.481 1.548 -7.489 1.00 2.14 H new ATOM 0 HB1 ALA A 23 17.673 2.274 -8.376 1.00 0.30 H new ATOM 0 HB2 ALA A 23 17.719 0.591 -7.798 1.00 0.30 H new ATOM 0 HB3 ALA A 23 17.637 0.931 -9.543 1.00 0.30 H new ATOM 360 N GLN A 24 15.328 1.913 -10.772 1.00 3.54 N ATOM 361 CA GLN A 24 14.809 2.777 -11.826 1.00 64.52 C ATOM 362 C GLN A 24 13.313 3.012 -11.650 1.00 71.41 C ATOM 363 O GLN A 24 12.804 4.090 -11.953 1.00 43.43 O ATOM 364 CB GLN A 24 15.083 2.160 -13.199 1.00 51.33 C ATOM 365 CG GLN A 24 16.545 2.220 -13.613 1.00 34.03 C ATOM 366 CD GLN A 24 17.090 3.634 -13.626 1.00 0.30 C ATOM 367 OE1 GLN A 24 16.677 4.464 -14.437 1.00 62.32 O ATOM 368 NE2 GLN A 24 18.023 3.918 -12.725 1.00 23.32 N ATOM 0 H GLN A 24 15.782 1.063 -11.107 1.00 3.54 H new ATOM 0 HA GLN A 24 15.319 3.738 -11.758 1.00 64.52 H new ATOM 0 HB2 GLN A 24 14.759 1.119 -13.192 1.00 51.33 H new ATOM 0 HB3 GLN A 24 14.481 2.676 -13.947 1.00 51.33 H new ATOM 0 HG2 GLN A 24 17.138 1.613 -12.929 1.00 34.03 H new ATOM 0 HG3 GLN A 24 16.656 1.783 -14.605 1.00 34.03 H new ATOM 0 HE21 GLN A 24 18.336 3.200 -12.072 1.00 23.32 H new ATOM 0 HE22 GLN A 24 18.426 4.854 -12.686 1.00 23.32 H new ATOM 377 N ALA A 25 12.613 1.994 -11.159 1.00 11.43 N ATOM 378 CA ALA A 25 11.175 2.091 -10.941 1.00 11.12 C ATOM 379 C ALA A 25 10.854 3.073 -9.819 1.00 44.55 C ATOM 380 O ALA A 25 9.737 3.581 -9.726 1.00 25.33 O ATOM 381 CB ALA A 25 10.595 0.720 -10.626 1.00 25.04 C ATOM 0 H ALA A 25 13.019 1.093 -10.905 1.00 11.43 H new ATOM 0 HA ALA A 25 10.719 2.465 -11.857 1.00 11.12 H new ATOM 0 HB1 ALA A 25 9.520 0.808 -10.466 1.00 25.04 H new ATOM 0 HB2 ALA A 25 10.783 0.045 -11.461 1.00 25.04 H new ATOM 0 HB3 ALA A 25 11.065 0.324 -9.726 1.00 25.04 H new ATOM 387 N GLY A 26 11.842 3.337 -8.969 1.00 43.45 N ATOM 388 CA GLY A 26 11.645 4.258 -7.865 1.00 34.30 C ATOM 389 C GLY A 26 11.717 3.569 -6.516 1.00 43.25 C ATOM 390 O GLY A 26 12.174 4.157 -5.535 1.00 74.14 O ATOM 0 H GLY A 26 12.775 2.929 -9.025 1.00 43.45 H new ATOM 0 HA2 GLY A 26 12.401 5.042 -7.910 1.00 34.30 H new ATOM 0 HA3 GLY A 26 10.675 4.744 -7.970 1.00 34.30 H new ATOM 394 N TYR A 27 11.265 2.321 -6.466 1.00 42.22 N ATOM 395 CA TYR A 27 11.277 1.553 -5.227 1.00 2.32 C ATOM 396 C TYR A 27 12.672 1.539 -4.608 1.00 73.13 C ATOM 397 O TYR A 27 13.674 1.684 -5.308 1.00 33.13 O ATOM 398 CB TYR A 27 10.807 0.121 -5.485 1.00 71.12 C ATOM 399 CG TYR A 27 9.521 0.039 -6.276 1.00 13.31 C ATOM 400 CD1 TYR A 27 9.481 -0.592 -7.513 1.00 23.11 C ATOM 401 CD2 TYR A 27 8.344 0.593 -5.785 1.00 64.22 C ATOM 402 CE1 TYR A 27 8.309 -0.668 -8.239 1.00 34.21 C ATOM 403 CE2 TYR A 27 7.167 0.520 -6.504 1.00 13.03 C ATOM 404 CZ TYR A 27 7.154 -0.111 -7.730 1.00 40.02 C ATOM 405 OH TYR A 27 5.983 -0.186 -8.450 1.00 5.03 O ATOM 0 H TYR A 27 10.886 1.820 -7.269 1.00 42.22 H new ATOM 0 HA TYR A 27 10.593 2.032 -4.526 1.00 2.32 H new ATOM 0 HB2 TYR A 27 11.588 -0.418 -6.021 1.00 71.12 H new ATOM 0 HB3 TYR A 27 10.669 -0.385 -4.529 1.00 71.12 H new ATOM 0 HD1 TYR A 27 10.383 -1.031 -7.914 1.00 23.11 H new ATOM 0 HD2 TYR A 27 8.350 1.089 -4.825 1.00 64.22 H new ATOM 0 HE1 TYR A 27 8.297 -1.161 -9.200 1.00 34.21 H new ATOM 0 HE2 TYR A 27 6.261 0.955 -6.108 1.00 13.03 H new ATOM 0 HH TYR A 27 5.263 0.254 -7.951 1.00 5.03 H new ATOM 415 N GLU A 28 12.726 1.362 -3.292 1.00 3.12 N ATOM 416 CA GLU A 28 13.998 1.329 -2.578 1.00 74.23 C ATOM 417 C GLU A 28 14.443 -0.109 -2.327 1.00 32.01 C ATOM 418 O GLU A 28 14.137 -0.693 -1.287 1.00 4.41 O ATOM 419 CB GLU A 28 13.882 2.078 -1.249 1.00 53.13 C ATOM 420 CG GLU A 28 15.188 2.152 -0.476 1.00 73.41 C ATOM 421 CD GLU A 28 16.090 3.270 -0.959 1.00 53.55 C ATOM 422 OE1 GLU A 28 15.618 4.114 -1.750 1.00 62.23 O ATOM 423 OE2 GLU A 28 17.268 3.302 -0.546 1.00 51.41 O ATOM 0 H GLU A 28 11.905 1.239 -2.699 1.00 3.12 H new ATOM 0 HA GLU A 28 14.747 1.820 -3.199 1.00 74.23 H new ATOM 0 HB2 GLU A 28 13.526 3.090 -1.442 1.00 53.13 H new ATOM 0 HB3 GLU A 28 13.130 1.588 -0.630 1.00 53.13 H new ATOM 0 HG2 GLU A 28 14.971 2.297 0.582 1.00 73.41 H new ATOM 0 HG3 GLU A 28 15.714 1.201 -0.567 1.00 73.41 H new ATOM 430 N VAL A 29 15.167 -0.675 -3.288 1.00 15.22 N ATOM 431 CA VAL A 29 15.655 -2.044 -3.172 1.00 12.34 C ATOM 432 C VAL A 29 17.084 -2.074 -2.641 1.00 72.34 C ATOM 433 O VAL A 29 17.919 -1.255 -3.027 1.00 21.43 O ATOM 434 CB VAL A 29 15.606 -2.774 -4.527 1.00 11.11 C ATOM 435 CG1 VAL A 29 16.326 -1.965 -5.595 1.00 72.45 C ATOM 436 CG2 VAL A 29 16.208 -4.166 -4.404 1.00 12.42 C ATOM 0 H VAL A 29 15.428 -0.206 -4.155 1.00 15.22 H new ATOM 0 HA VAL A 29 14.998 -2.556 -2.469 1.00 12.34 H new ATOM 0 HB VAL A 29 14.563 -2.879 -4.826 1.00 11.11 H new ATOM 0 HG11 VAL A 29 16.281 -2.496 -6.546 1.00 72.45 H new ATOM 0 HG12 VAL A 29 15.846 -0.992 -5.700 1.00 72.45 H new ATOM 0 HG13 VAL A 29 17.368 -1.826 -5.306 1.00 72.45 H new ATOM 0 HG21 VAL A 29 16.165 -4.668 -5.371 1.00 12.42 H new ATOM 0 HG22 VAL A 29 17.246 -4.086 -4.082 1.00 12.42 H new ATOM 0 HG23 VAL A 29 15.644 -4.743 -3.671 1.00 12.42 H new ATOM 446 N THR A 30 17.360 -3.025 -1.754 1.00 70.45 N ATOM 447 CA THR A 30 18.688 -3.163 -1.170 1.00 70.31 C ATOM 448 C THR A 30 19.165 -4.610 -1.223 1.00 74.33 C ATOM 449 O THR A 30 18.437 -5.528 -0.844 1.00 62.43 O ATOM 450 CB THR A 30 18.711 -2.680 0.292 1.00 21.54 C ATOM 451 OG1 THR A 30 18.353 -1.295 0.357 1.00 62.52 O ATOM 452 CG2 THR A 30 20.088 -2.883 0.907 1.00 14.14 C ATOM 0 H THR A 30 16.681 -3.711 -1.424 1.00 70.45 H new ATOM 0 HA THR A 30 19.359 -2.541 -1.761 1.00 70.31 H new ATOM 0 HB THR A 30 17.988 -3.268 0.857 1.00 21.54 H new ATOM 0 HG1 THR A 30 18.368 -0.997 1.290 1.00 62.52 H new ATOM 0 HG21 THR A 30 20.080 -2.535 1.940 1.00 14.14 H new ATOM 0 HG22 THR A 30 20.345 -3.942 0.883 1.00 14.14 H new ATOM 0 HG23 THR A 30 20.827 -2.318 0.339 1.00 14.14 H new ATOM 460 N VAL A 31 20.391 -4.807 -1.695 1.00 64.55 N ATOM 461 CA VAL A 31 20.966 -6.144 -1.796 1.00 42.43 C ATOM 462 C VAL A 31 21.840 -6.459 -0.587 1.00 52.23 C ATOM 463 O VAL A 31 22.596 -5.610 -0.117 1.00 11.42 O ATOM 464 CB VAL A 31 21.807 -6.298 -3.078 1.00 10.34 C ATOM 465 CG1 VAL A 31 20.965 -5.997 -4.308 1.00 42.13 C ATOM 466 CG2 VAL A 31 23.030 -5.394 -3.024 1.00 35.01 C ATOM 0 H VAL A 31 21.006 -4.058 -2.014 1.00 64.55 H new ATOM 0 HA VAL A 31 20.132 -6.845 -1.831 1.00 42.43 H new ATOM 0 HB VAL A 31 22.149 -7.331 -3.146 1.00 10.34 H new ATOM 0 HG11 VAL A 31 21.576 -6.111 -5.204 1.00 42.13 H new ATOM 0 HG12 VAL A 31 20.124 -6.689 -4.352 1.00 42.13 H new ATOM 0 HG13 VAL A 31 20.591 -4.975 -4.252 1.00 42.13 H new ATOM 0 HG21 VAL A 31 23.613 -5.515 -3.937 1.00 35.01 H new ATOM 0 HG22 VAL A 31 22.711 -4.356 -2.932 1.00 35.01 H new ATOM 0 HG23 VAL A 31 23.643 -5.663 -2.164 1.00 35.01 H new ATOM 476 N ALA A 32 21.731 -7.686 -0.089 1.00 75.01 N ATOM 477 CA ALA A 32 22.512 -8.115 1.064 1.00 44.21 C ATOM 478 C ALA A 32 23.765 -8.868 0.628 1.00 1.44 C ATOM 479 O ALA A 32 23.994 -9.074 -0.563 1.00 32.11 O ATOM 480 CB ALA A 32 21.665 -8.983 1.983 1.00 44.33 C ATOM 0 H ALA A 32 21.109 -8.401 -0.466 1.00 75.01 H new ATOM 0 HA ALA A 32 22.825 -7.226 1.611 1.00 44.21 H new ATOM 0 HB1 ALA A 32 22.262 -9.296 2.840 1.00 44.33 H new ATOM 0 HB2 ALA A 32 20.803 -8.413 2.330 1.00 44.33 H new ATOM 0 HB3 ALA A 32 21.322 -9.863 1.439 1.00 44.33 H new ATOM 486 N ALA A 33 24.573 -9.275 1.602 1.00 44.34 N ATOM 487 CA ALA A 33 25.802 -10.006 1.318 1.00 3.33 C ATOM 488 C ALA A 33 25.569 -11.512 1.367 1.00 12.23 C ATOM 489 O ALA A 33 26.166 -12.267 0.600 1.00 33.42 O ATOM 490 CB ALA A 33 26.892 -9.606 2.302 1.00 65.43 C ATOM 0 H ALA A 33 24.399 -9.111 2.594 1.00 44.34 H new ATOM 0 HA ALA A 33 26.125 -9.748 0.309 1.00 3.33 H new ATOM 0 HB1 ALA A 33 27.804 -10.159 2.079 1.00 65.43 H new ATOM 0 HB2 ALA A 33 27.086 -8.537 2.216 1.00 65.43 H new ATOM 0 HB3 ALA A 33 26.568 -9.835 3.317 1.00 65.43 H new ATOM 496 N ASP A 34 24.698 -11.942 2.274 1.00 40.52 N ATOM 497 CA ASP A 34 24.385 -13.358 2.423 1.00 65.25 C ATOM 498 C ASP A 34 22.901 -13.560 2.708 1.00 14.12 C ATOM 499 O ASP A 34 22.256 -12.713 3.326 1.00 62.23 O ATOM 500 CB ASP A 34 25.222 -13.972 3.547 1.00 52.44 C ATOM 501 CG ASP A 34 26.600 -14.395 3.078 1.00 41.21 C ATOM 502 OD1 ASP A 34 27.556 -14.289 3.875 1.00 54.34 O ATOM 503 OD2 ASP A 34 26.723 -14.831 1.914 1.00 24.21 O ATOM 0 H ASP A 34 24.196 -11.330 2.917 1.00 40.52 H new ATOM 0 HA ASP A 34 24.627 -13.859 1.486 1.00 65.25 H new ATOM 0 HB2 ASP A 34 25.323 -13.250 4.357 1.00 52.44 H new ATOM 0 HB3 ASP A 34 24.699 -14.837 3.955 1.00 52.44 H new ATOM 508 N GLY A 35 22.363 -14.688 2.253 1.00 3.12 N ATOM 509 CA GLY A 35 20.958 -14.980 2.469 1.00 42.04 C ATOM 510 C GLY A 35 20.557 -14.856 3.925 1.00 52.30 C ATOM 511 O GLY A 35 19.424 -14.488 4.233 1.00 11.33 O ATOM 0 H GLY A 35 22.875 -15.405 1.739 1.00 3.12 H new ATOM 0 HA2 GLY A 35 20.353 -14.300 1.870 1.00 42.04 H new ATOM 0 HA3 GLY A 35 20.742 -15.990 2.121 1.00 42.04 H new ATOM 515 N GLU A 36 21.488 -15.165 4.822 1.00 34.13 N ATOM 516 CA GLU A 36 21.223 -15.088 6.254 1.00 33.22 C ATOM 517 C GLU A 36 21.061 -13.638 6.700 1.00 1.15 C ATOM 518 O GLU A 36 20.118 -13.299 7.415 1.00 42.43 O ATOM 519 CB GLU A 36 22.355 -15.752 7.041 1.00 35.31 C ATOM 520 CG GLU A 36 22.230 -15.583 8.546 1.00 44.00 C ATOM 521 CD GLU A 36 23.116 -16.544 9.316 1.00 15.41 C ATOM 522 OE1 GLU A 36 22.667 -17.051 10.366 1.00 41.42 O ATOM 523 OE2 GLU A 36 24.256 -16.788 8.870 1.00 73.31 O ATOM 0 H GLU A 36 22.431 -15.471 4.583 1.00 34.13 H new ATOM 0 HA GLU A 36 20.292 -15.618 6.454 1.00 33.22 H new ATOM 0 HB2 GLU A 36 22.376 -16.816 6.804 1.00 35.31 H new ATOM 0 HB3 GLU A 36 23.307 -15.334 6.715 1.00 35.31 H new ATOM 0 HG2 GLU A 36 22.490 -14.559 8.816 1.00 44.00 H new ATOM 0 HG3 GLU A 36 21.192 -15.737 8.840 1.00 44.00 H new ATOM 530 N ALA A 37 21.989 -12.787 6.274 1.00 14.11 N ATOM 531 CA ALA A 37 21.949 -11.373 6.628 1.00 60.41 C ATOM 532 C ALA A 37 20.716 -10.695 6.041 1.00 41.13 C ATOM 533 O ALA A 37 20.137 -9.799 6.654 1.00 44.13 O ATOM 534 CB ALA A 37 23.215 -10.675 6.153 1.00 13.14 C ATOM 0 H ALA A 37 22.777 -13.052 5.684 1.00 14.11 H new ATOM 0 HA ALA A 37 21.890 -11.296 7.714 1.00 60.41 H new ATOM 0 HB1 ALA A 37 23.172 -9.620 6.424 1.00 13.14 H new ATOM 0 HB2 ALA A 37 24.083 -11.136 6.624 1.00 13.14 H new ATOM 0 HB3 ALA A 37 23.298 -10.769 5.070 1.00 13.14 H new ATOM 540 N GLY A 38 20.320 -11.128 4.848 1.00 55.14 N ATOM 541 CA GLY A 38 19.158 -10.550 4.197 1.00 31.23 C ATOM 542 C GLY A 38 17.868 -10.862 4.930 1.00 61.51 C ATOM 543 O GLY A 38 17.071 -9.966 5.208 1.00 71.41 O ATOM 0 H GLY A 38 20.783 -11.868 4.321 1.00 55.14 H new ATOM 0 HA2 GLY A 38 19.282 -9.469 4.131 1.00 31.23 H new ATOM 0 HA3 GLY A 38 19.092 -10.926 3.176 1.00 31.23 H new ATOM 547 N PHE A 39 17.661 -12.137 5.242 1.00 33.42 N ATOM 548 CA PHE A 39 16.457 -12.566 5.945 1.00 71.34 C ATOM 549 C PHE A 39 16.437 -12.025 7.371 1.00 4.30 C ATOM 550 O PHE A 39 15.429 -11.486 7.828 1.00 43.40 O ATOM 551 CB PHE A 39 16.370 -14.094 5.966 1.00 41.22 C ATOM 552 CG PHE A 39 14.994 -14.620 5.673 1.00 21.25 C ATOM 553 CD1 PHE A 39 13.945 -14.378 6.546 1.00 44.41 C ATOM 554 CD2 PHE A 39 14.750 -15.358 4.526 1.00 35.15 C ATOM 555 CE1 PHE A 39 12.678 -14.860 6.280 1.00 72.33 C ATOM 556 CE2 PHE A 39 13.484 -15.843 4.255 1.00 41.21 C ATOM 557 CZ PHE A 39 12.447 -15.595 5.133 1.00 2.31 C ATOM 0 H PHE A 39 18.311 -12.891 5.019 1.00 33.42 H new ATOM 0 HA PHE A 39 15.594 -12.167 5.412 1.00 71.34 H new ATOM 0 HB2 PHE A 39 17.069 -14.500 5.235 1.00 41.22 H new ATOM 0 HB3 PHE A 39 16.687 -14.455 6.944 1.00 41.22 H new ATOM 0 HD1 PHE A 39 14.120 -13.806 7.445 1.00 44.41 H new ATOM 0 HD2 PHE A 39 15.557 -15.556 3.836 1.00 35.15 H new ATOM 0 HE1 PHE A 39 11.869 -14.663 6.968 1.00 72.33 H new ATOM 0 HE2 PHE A 39 13.306 -16.416 3.357 1.00 41.21 H new ATOM 0 HZ PHE A 39 11.458 -15.975 4.923 1.00 2.31 H new ATOM 567 N ASP A 40 17.558 -12.173 8.069 1.00 51.11 N ATOM 568 CA ASP A 40 17.671 -11.699 9.443 1.00 1.33 C ATOM 569 C ASP A 40 17.242 -10.239 9.551 1.00 2.25 C ATOM 570 O ASP A 40 16.649 -9.827 10.549 1.00 30.14 O ATOM 571 CB ASP A 40 19.107 -11.860 9.944 1.00 1.14 C ATOM 572 CG ASP A 40 19.324 -11.212 11.298 1.00 43.13 C ATOM 573 OD1 ASP A 40 18.488 -11.428 12.200 1.00 2.32 O ATOM 574 OD2 ASP A 40 20.331 -10.490 11.455 1.00 54.34 O ATOM 0 H ASP A 40 18.401 -12.617 7.706 1.00 51.11 H new ATOM 0 HA ASP A 40 17.008 -12.301 10.065 1.00 1.33 H new ATOM 0 HB2 ASP A 40 19.349 -12.921 10.009 1.00 1.14 H new ATOM 0 HB3 ASP A 40 19.793 -11.420 9.220 1.00 1.14 H new ATOM 579 N LEU A 41 17.547 -9.460 8.519 1.00 31.13 N ATOM 580 CA LEU A 41 17.194 -8.045 8.498 1.00 11.32 C ATOM 581 C LEU A 41 15.785 -7.843 7.950 1.00 32.03 C ATOM 582 O LEU A 41 15.106 -6.877 8.297 1.00 34.33 O ATOM 583 CB LEU A 41 18.199 -7.261 7.653 1.00 42.23 C ATOM 584 CG LEU A 41 19.631 -7.210 8.188 1.00 53.32 C ATOM 585 CD1 LEU A 41 20.548 -6.515 7.193 1.00 12.45 C ATOM 586 CD2 LEU A 41 19.671 -6.505 9.536 1.00 23.41 C ATOM 0 H LEU A 41 18.038 -9.784 7.686 1.00 31.13 H new ATOM 0 HA LEU A 41 17.222 -7.674 9.523 1.00 11.32 H new ATOM 0 HB2 LEU A 41 18.221 -7.696 6.654 1.00 42.23 H new ATOM 0 HB3 LEU A 41 17.835 -6.239 7.547 1.00 42.23 H new ATOM 0 HG LEU A 41 19.985 -8.232 8.324 1.00 53.32 H new ATOM 0 HD11 LEU A 41 21.563 -6.488 7.591 1.00 12.45 H new ATOM 0 HD12 LEU A 41 20.542 -7.061 6.250 1.00 12.45 H new ATOM 0 HD13 LEU A 41 20.197 -5.497 7.025 1.00 12.45 H new ATOM 0 HD21 LEU A 41 20.697 -6.478 9.902 1.00 23.41 H new ATOM 0 HD22 LEU A 41 19.298 -5.487 9.425 1.00 23.41 H new ATOM 0 HD23 LEU A 41 19.046 -7.045 10.248 1.00 23.41 H new ATOM 598 N ALA A 42 15.351 -8.762 7.094 1.00 62.30 N ATOM 599 CA ALA A 42 14.022 -8.688 6.502 1.00 55.34 C ATOM 600 C ALA A 42 12.938 -8.826 7.566 1.00 51.14 C ATOM 601 O ALA A 42 11.832 -8.309 7.409 1.00 20.34 O ATOM 602 CB ALA A 42 13.858 -9.761 5.436 1.00 75.21 C ATOM 0 H ALA A 42 15.901 -9.567 6.795 1.00 62.30 H new ATOM 0 HA ALA A 42 13.914 -7.709 6.036 1.00 55.34 H new ATOM 0 HB1 ALA A 42 12.860 -9.694 5.002 1.00 75.21 H new ATOM 0 HB2 ALA A 42 14.604 -9.615 4.655 1.00 75.21 H new ATOM 0 HB3 ALA A 42 13.992 -10.745 5.886 1.00 75.21 H new ATOM 608 N ALA A 43 13.263 -9.527 8.647 1.00 50.11 N ATOM 609 CA ALA A 43 12.317 -9.732 9.737 1.00 5.32 C ATOM 610 C ALA A 43 12.424 -8.617 10.773 1.00 74.34 C ATOM 611 O ALA A 43 11.445 -8.278 11.438 1.00 15.11 O ATOM 612 CB ALA A 43 12.551 -11.086 10.391 1.00 53.24 C ATOM 0 H ALA A 43 14.174 -9.962 8.791 1.00 50.11 H new ATOM 0 HA ALA A 43 11.310 -9.711 9.320 1.00 5.32 H new ATOM 0 HB1 ALA A 43 11.838 -11.226 11.203 1.00 53.24 H new ATOM 0 HB2 ALA A 43 12.418 -11.875 9.651 1.00 53.24 H new ATOM 0 HB3 ALA A 43 13.565 -11.128 10.788 1.00 53.24 H new ATOM 618 N THR A 44 13.619 -8.050 10.905 1.00 71.51 N ATOM 619 CA THR A 44 13.853 -6.976 11.861 1.00 45.43 C ATOM 620 C THR A 44 13.420 -5.629 11.291 1.00 24.44 C ATOM 621 O THR A 44 13.067 -4.713 12.035 1.00 63.22 O ATOM 622 CB THR A 44 15.338 -6.896 12.264 1.00 61.14 C ATOM 623 OG1 THR A 44 15.455 -6.451 13.619 1.00 14.45 O ATOM 624 CG2 THR A 44 16.098 -5.950 11.346 1.00 12.45 C ATOM 0 H THR A 44 14.440 -8.317 10.361 1.00 71.51 H new ATOM 0 HA THR A 44 13.256 -7.203 12.744 1.00 45.43 H new ATOM 0 HB THR A 44 15.771 -7.892 12.171 1.00 61.14 H new ATOM 0 HG1 THR A 44 16.402 -6.404 13.867 1.00 14.45 H new ATOM 0 HG21 THR A 44 17.144 -5.910 11.650 1.00 12.45 H new ATOM 0 HG22 THR A 44 16.032 -6.309 10.319 1.00 12.45 H new ATOM 0 HG23 THR A 44 15.663 -4.953 11.411 1.00 12.45 H new ATOM 632 N THR A 45 13.449 -5.515 9.967 1.00 32.22 N ATOM 633 CA THR A 45 13.060 -4.280 9.298 1.00 75.50 C ATOM 634 C THR A 45 11.682 -4.412 8.659 1.00 60.45 C ATOM 635 O THR A 45 10.912 -3.453 8.618 1.00 32.50 O ATOM 636 CB THR A 45 14.080 -3.883 8.215 1.00 51.22 C ATOM 637 OG1 THR A 45 15.219 -3.260 8.819 1.00 15.35 O ATOM 638 CG2 THR A 45 13.454 -2.934 7.204 1.00 73.34 C ATOM 0 H THR A 45 13.738 -6.263 9.337 1.00 32.22 H new ATOM 0 HA THR A 45 13.031 -3.502 10.061 1.00 75.50 H new ATOM 0 HB THR A 45 14.394 -4.788 7.695 1.00 51.22 H new ATOM 0 HG1 THR A 45 15.863 -3.012 8.124 1.00 15.35 H new ATOM 0 HG21 THR A 45 14.193 -2.667 6.449 1.00 73.34 H new ATOM 0 HG22 THR A 45 12.605 -3.421 6.725 1.00 73.34 H new ATOM 0 HG23 THR A 45 13.114 -2.032 7.713 1.00 73.34 H new ATOM 646 N ALA A 46 11.378 -5.606 8.160 1.00 31.34 N ATOM 647 CA ALA A 46 10.091 -5.864 7.525 1.00 5.12 C ATOM 648 C ALA A 46 9.934 -5.041 6.251 1.00 71.41 C ATOM 649 O ALA A 46 9.381 -3.942 6.275 1.00 53.33 O ATOM 650 CB ALA A 46 8.956 -5.565 8.493 1.00 51.34 C ATOM 0 H ALA A 46 12.005 -6.410 8.183 1.00 31.34 H new ATOM 0 HA ALA A 46 10.052 -6.919 7.252 1.00 5.12 H new ATOM 0 HB1 ALA A 46 8.001 -5.762 8.006 1.00 51.34 H new ATOM 0 HB2 ALA A 46 9.052 -6.200 9.374 1.00 51.34 H new ATOM 0 HB3 ALA A 46 9.001 -4.518 8.794 1.00 51.34 H new ATOM 656 N TYR A 47 10.424 -5.580 5.140 1.00 31.52 N ATOM 657 CA TYR A 47 10.340 -4.895 3.856 1.00 2.52 C ATOM 658 C TYR A 47 9.031 -5.225 3.147 1.00 54.25 C ATOM 659 O TYR A 47 8.205 -5.979 3.662 1.00 63.12 O ATOM 660 CB TYR A 47 11.525 -5.281 2.970 1.00 42.14 C ATOM 661 CG TYR A 47 12.864 -4.857 3.530 1.00 61.11 C ATOM 662 CD1 TYR A 47 13.416 -5.506 4.628 1.00 44.33 C ATOM 663 CD2 TYR A 47 13.576 -3.808 2.962 1.00 3.25 C ATOM 664 CE1 TYR A 47 14.639 -5.122 5.144 1.00 41.44 C ATOM 665 CE2 TYR A 47 14.800 -3.418 3.471 1.00 42.13 C ATOM 666 CZ TYR A 47 15.327 -4.078 4.561 1.00 3.43 C ATOM 667 OH TYR A 47 16.546 -3.691 5.071 1.00 34.35 O ATOM 0 H TYR A 47 10.884 -6.490 5.103 1.00 31.52 H new ATOM 0 HA TYR A 47 10.370 -3.822 4.043 1.00 2.52 H new ATOM 0 HB2 TYR A 47 11.525 -6.362 2.829 1.00 42.14 H new ATOM 0 HB3 TYR A 47 11.394 -4.831 1.986 1.00 42.14 H new ATOM 0 HD1 TYR A 47 12.880 -6.324 5.086 1.00 44.33 H new ATOM 0 HD2 TYR A 47 13.166 -3.289 2.108 1.00 3.25 H new ATOM 0 HE1 TYR A 47 15.054 -5.636 5.998 1.00 41.44 H new ATOM 0 HE2 TYR A 47 15.341 -2.601 3.018 1.00 42.13 H new ATOM 0 HH TYR A 47 16.898 -2.943 4.545 1.00 34.35 H new ATOM 677 N ASP A 48 8.848 -4.655 1.961 1.00 43.24 N ATOM 678 CA ASP A 48 7.641 -4.889 1.177 1.00 15.24 C ATOM 679 C ASP A 48 7.798 -6.120 0.290 1.00 3.40 C ATOM 680 O ASP A 48 6.832 -6.836 0.027 1.00 72.42 O ATOM 681 CB ASP A 48 7.318 -3.664 0.320 1.00 60.23 C ATOM 682 CG ASP A 48 5.954 -3.081 0.633 1.00 70.24 C ATOM 683 OD1 ASP A 48 4.948 -3.626 0.133 1.00 34.13 O ATOM 684 OD2 ASP A 48 5.893 -2.079 1.376 1.00 31.42 O ATOM 0 H ASP A 48 9.521 -4.027 1.521 1.00 43.24 H new ATOM 0 HA ASP A 48 6.817 -5.066 1.869 1.00 15.24 H new ATOM 0 HB2 ASP A 48 8.081 -2.902 0.479 1.00 60.23 H new ATOM 0 HB3 ASP A 48 7.359 -3.941 -0.734 1.00 60.23 H new ATOM 689 N LEU A 49 9.022 -6.358 -0.169 1.00 73.43 N ATOM 690 CA LEU A 49 9.307 -7.502 -1.029 1.00 35.44 C ATOM 691 C LEU A 49 10.682 -8.086 -0.720 1.00 53.13 C ATOM 692 O LEU A 49 11.683 -7.370 -0.710 1.00 64.33 O ATOM 693 CB LEU A 49 9.233 -7.091 -2.500 1.00 53.20 C ATOM 694 CG LEU A 49 8.763 -8.170 -3.476 1.00 72.10 C ATOM 695 CD1 LEU A 49 8.702 -7.619 -4.892 1.00 71.12 C ATOM 696 CD2 LEU A 49 9.680 -9.383 -3.412 1.00 42.55 C ATOM 0 H LEU A 49 9.832 -5.775 0.040 1.00 73.43 H new ATOM 0 HA LEU A 49 8.556 -8.267 -0.835 1.00 35.44 H new ATOM 0 HB2 LEU A 49 8.562 -6.236 -2.584 1.00 53.20 H new ATOM 0 HB3 LEU A 49 10.221 -6.753 -2.812 1.00 53.20 H new ATOM 0 HG LEU A 49 7.760 -8.483 -3.187 1.00 72.10 H new ATOM 0 HD11 LEU A 49 8.366 -8.401 -5.573 1.00 71.12 H new ATOM 0 HD12 LEU A 49 8.004 -6.782 -4.927 1.00 71.12 H new ATOM 0 HD13 LEU A 49 9.693 -7.278 -5.193 1.00 71.12 H new ATOM 0 HD21 LEU A 49 9.330 -10.141 -4.113 1.00 42.55 H new ATOM 0 HD22 LEU A 49 10.695 -9.086 -3.675 1.00 42.55 H new ATOM 0 HD23 LEU A 49 9.672 -9.792 -2.402 1.00 42.55 H new ATOM 708 N VAL A 50 10.723 -9.391 -0.471 1.00 72.02 N ATOM 709 CA VAL A 50 11.975 -10.072 -0.166 1.00 43.01 C ATOM 710 C VAL A 50 12.360 -11.040 -1.279 1.00 72.22 C ATOM 711 O VAL A 50 11.496 -11.614 -1.944 1.00 50.42 O ATOM 712 CB VAL A 50 11.885 -10.845 1.163 1.00 13.01 C ATOM 713 CG1 VAL A 50 13.243 -11.414 1.544 1.00 72.44 C ATOM 714 CG2 VAL A 50 11.346 -9.946 2.266 1.00 62.21 C ATOM 0 H VAL A 50 9.903 -9.998 -0.475 1.00 72.02 H new ATOM 0 HA VAL A 50 12.740 -9.301 -0.078 1.00 43.01 H new ATOM 0 HB VAL A 50 11.193 -11.677 1.033 1.00 13.01 H new ATOM 0 HG11 VAL A 50 13.159 -11.957 2.486 1.00 72.44 H new ATOM 0 HG12 VAL A 50 13.585 -12.093 0.763 1.00 72.44 H new ATOM 0 HG13 VAL A 50 13.960 -10.601 1.657 1.00 72.44 H new ATOM 0 HG21 VAL A 50 11.289 -10.508 3.198 1.00 62.21 H new ATOM 0 HG22 VAL A 50 12.011 -9.092 2.397 1.00 62.21 H new ATOM 0 HG23 VAL A 50 10.351 -9.593 1.994 1.00 62.21 H new ATOM 724 N LEU A 51 13.661 -11.219 -1.477 1.00 42.41 N ATOM 725 CA LEU A 51 14.162 -12.119 -2.510 1.00 53.22 C ATOM 726 C LEU A 51 15.303 -12.979 -1.977 1.00 2.41 C ATOM 727 O LEU A 51 16.377 -12.472 -1.651 1.00 3.01 O ATOM 728 CB LEU A 51 14.635 -11.319 -3.725 1.00 71.34 C ATOM 729 CG LEU A 51 13.717 -11.351 -4.948 1.00 44.42 C ATOM 730 CD1 LEU A 51 13.609 -12.764 -5.498 1.00 71.41 C ATOM 731 CD2 LEU A 51 12.341 -10.806 -4.596 1.00 73.21 C ATOM 0 H LEU A 51 14.389 -10.753 -0.936 1.00 42.41 H new ATOM 0 HA LEU A 51 13.347 -12.777 -2.811 1.00 53.22 H new ATOM 0 HB2 LEU A 51 14.767 -10.280 -3.422 1.00 71.34 H new ATOM 0 HB3 LEU A 51 15.615 -11.692 -4.021 1.00 71.34 H new ATOM 0 HG LEU A 51 14.150 -10.716 -5.720 1.00 44.42 H new ATOM 0 HD11 LEU A 51 12.952 -12.767 -6.368 1.00 71.41 H new ATOM 0 HD12 LEU A 51 14.598 -13.118 -5.789 1.00 71.41 H new ATOM 0 HD13 LEU A 51 13.200 -13.422 -4.732 1.00 71.41 H new ATOM 0 HD21 LEU A 51 11.701 -10.836 -5.478 1.00 73.21 H new ATOM 0 HD22 LEU A 51 11.900 -11.414 -3.806 1.00 73.21 H new ATOM 0 HD23 LEU A 51 12.435 -9.776 -4.251 1.00 73.21 H new ATOM 743 N THR A 52 15.065 -14.284 -1.892 1.00 54.22 N ATOM 744 CA THR A 52 16.072 -15.215 -1.400 1.00 2.50 C ATOM 745 C THR A 52 16.227 -16.405 -2.340 1.00 11.14 C ATOM 746 O THR A 52 15.254 -16.870 -2.933 1.00 34.23 O ATOM 747 CB THR A 52 15.721 -15.729 0.009 1.00 61.22 C ATOM 748 OG1 THR A 52 16.701 -16.680 0.441 1.00 12.23 O ATOM 749 CG2 THR A 52 14.343 -16.372 0.022 1.00 74.31 C ATOM 0 H THR A 52 14.182 -14.720 -2.158 1.00 54.22 H new ATOM 0 HA THR A 52 17.013 -14.667 -1.354 1.00 2.50 H new ATOM 0 HB THR A 52 15.714 -14.879 0.691 1.00 61.22 H new ATOM 0 HG1 THR A 52 17.337 -16.243 1.044 1.00 12.23 H new ATOM 0 HG21 THR A 52 14.117 -16.727 1.027 1.00 74.31 H new ATOM 0 HG22 THR A 52 13.596 -15.638 -0.280 1.00 74.31 H new ATOM 0 HG23 THR A 52 14.327 -17.212 -0.672 1.00 74.31 H new ATOM 757 N ASP A 53 17.455 -16.894 -2.470 1.00 41.21 N ATOM 758 CA ASP A 53 17.737 -18.032 -3.337 1.00 31.21 C ATOM 759 C ASP A 53 17.474 -19.347 -2.610 1.00 21.25 C ATOM 760 O ASP A 53 17.330 -19.373 -1.388 1.00 12.33 O ATOM 761 CB ASP A 53 19.186 -17.984 -3.822 1.00 64.43 C ATOM 762 CG ASP A 53 19.667 -16.568 -4.071 1.00 62.32 C ATOM 763 OD1 ASP A 53 19.775 -16.178 -5.252 1.00 45.03 O ATOM 764 OD2 ASP A 53 19.936 -15.851 -3.085 1.00 1.30 O ATOM 0 H ASP A 53 18.271 -16.520 -1.986 1.00 41.21 H new ATOM 0 HA ASP A 53 17.072 -17.975 -4.199 1.00 31.21 H new ATOM 0 HB2 ASP A 53 19.830 -18.458 -3.081 1.00 64.43 H new ATOM 0 HB3 ASP A 53 19.278 -18.563 -4.741 1.00 64.43 H new ATOM 895 N LEU A 62 16.923 -19.554 5.855 1.00 74.30 N ATOM 896 CA LEU A 62 15.729 -19.535 5.017 1.00 34.51 C ATOM 897 C LEU A 62 14.521 -20.074 5.778 1.00 50.31 C ATOM 898 O LEU A 62 13.381 -19.714 5.485 1.00 22.24 O ATOM 899 CB LEU A 62 15.957 -20.362 3.750 1.00 4.14 C ATOM 900 CG LEU A 62 17.134 -19.933 2.873 1.00 70.42 C ATOM 901 CD1 LEU A 62 17.063 -20.615 1.515 1.00 3.01 C ATOM 902 CD2 LEU A 62 17.156 -18.420 2.712 1.00 72.44 C ATOM 0 HA LEU A 62 15.528 -18.501 4.737 1.00 34.51 H new ATOM 0 HB2 LEU A 62 16.106 -21.402 4.041 1.00 4.14 H new ATOM 0 HB3 LEU A 62 15.049 -20.326 3.148 1.00 4.14 H new ATOM 0 HG LEU A 62 18.058 -20.239 3.363 1.00 70.42 H new ATOM 0 HD11 LEU A 62 17.908 -20.298 0.904 1.00 3.01 H new ATOM 0 HD12 LEU A 62 17.097 -21.696 1.649 1.00 3.01 H new ATOM 0 HD13 LEU A 62 16.133 -20.340 1.018 1.00 3.01 H new ATOM 0 HD21 LEU A 62 18.000 -18.133 2.085 1.00 72.44 H new ATOM 0 HD22 LEU A 62 16.228 -18.090 2.245 1.00 72.44 H new ATOM 0 HD23 LEU A 62 17.255 -17.951 3.691 1.00 72.44 H new ATOM 914 N GLU A 63 14.780 -20.935 6.756 1.00 23.53 N ATOM 915 CA GLU A 63 13.714 -21.522 7.560 1.00 51.52 C ATOM 916 C GLU A 63 12.793 -20.439 8.115 1.00 5.44 C ATOM 917 O GLU A 63 11.617 -20.686 8.385 1.00 4.25 O ATOM 918 CB GLU A 63 14.303 -22.344 8.708 1.00 41.13 C ATOM 919 CG GLU A 63 15.298 -21.574 9.560 1.00 63.13 C ATOM 920 CD GLU A 63 15.563 -22.243 10.895 1.00 44.34 C ATOM 921 OE1 GLU A 63 16.494 -23.072 10.969 1.00 74.42 O ATOM 922 OE2 GLU A 63 14.840 -21.935 11.865 1.00 21.53 O ATOM 0 H GLU A 63 15.719 -21.242 7.011 1.00 23.53 H new ATOM 0 HA GLU A 63 13.128 -22.179 6.917 1.00 51.52 H new ATOM 0 HB2 GLU A 63 13.491 -22.699 9.343 1.00 41.13 H new ATOM 0 HB3 GLU A 63 14.795 -23.226 8.297 1.00 41.13 H new ATOM 0 HG2 GLU A 63 16.237 -21.474 9.015 1.00 63.13 H new ATOM 0 HG3 GLU A 63 14.920 -20.566 9.731 1.00 63.13 H new ATOM 929 N LEU A 64 13.337 -19.238 8.284 1.00 31.23 N ATOM 930 CA LEU A 64 12.566 -18.116 8.808 1.00 31.24 C ATOM 931 C LEU A 64 11.247 -17.964 8.057 1.00 1.43 C ATOM 932 O LEU A 64 10.251 -17.508 8.619 1.00 13.13 O ATOM 933 CB LEU A 64 13.377 -16.823 8.706 1.00 15.04 C ATOM 934 CG LEU A 64 14.497 -16.651 9.732 1.00 5.21 C ATOM 935 CD1 LEU A 64 15.500 -15.611 9.257 1.00 4.13 C ATOM 936 CD2 LEU A 64 13.925 -16.263 11.088 1.00 41.44 C ATOM 0 H LEU A 64 14.309 -19.017 8.066 1.00 31.23 H new ATOM 0 HA LEU A 64 12.345 -18.317 9.856 1.00 31.24 H new ATOM 0 HB2 LEU A 64 13.814 -16.769 7.709 1.00 15.04 H new ATOM 0 HB3 LEU A 64 12.693 -15.980 8.800 1.00 15.04 H new ATOM 0 HG LEU A 64 15.015 -17.604 9.839 1.00 5.21 H new ATOM 0 HD11 LEU A 64 16.290 -15.502 10.000 1.00 4.13 H new ATOM 0 HD12 LEU A 64 15.934 -15.930 8.310 1.00 4.13 H new ATOM 0 HD13 LEU A 64 14.995 -14.655 9.121 1.00 4.13 H new ATOM 0 HD21 LEU A 64 14.737 -16.145 11.805 1.00 41.44 H new ATOM 0 HD22 LEU A 64 13.381 -15.323 10.998 1.00 41.44 H new ATOM 0 HD23 LEU A 64 13.246 -17.043 11.433 1.00 41.44 H new ATOM 948 N ILE A 65 11.248 -18.350 6.786 1.00 43.51 N ATOM 949 CA ILE A 65 10.051 -18.259 5.959 1.00 1.44 C ATOM 950 C ILE A 65 8.840 -18.839 6.681 1.00 73.52 C ATOM 951 O ILE A 65 7.723 -18.343 6.538 1.00 33.03 O ATOM 952 CB ILE A 65 10.236 -18.992 4.618 1.00 61.21 C ATOM 953 CG1 ILE A 65 11.378 -18.360 3.819 1.00 21.34 C ATOM 954 CG2 ILE A 65 8.943 -18.964 3.816 1.00 23.23 C ATOM 955 CD1 ILE A 65 11.977 -19.287 2.784 1.00 13.05 C ATOM 0 H ILE A 65 12.064 -18.729 6.306 1.00 43.51 H new ATOM 0 HA ILE A 65 9.882 -17.200 5.763 1.00 1.44 H new ATOM 0 HB ILE A 65 10.492 -20.032 4.822 1.00 61.21 H new ATOM 0 HG12 ILE A 65 11.009 -17.463 3.322 1.00 21.34 H new ATOM 0 HG13 ILE A 65 12.161 -18.044 4.508 1.00 21.34 H new ATOM 0 HG21 ILE A 65 9.090 -19.486 2.871 1.00 23.23 H new ATOM 0 HG22 ILE A 65 8.152 -19.455 4.383 1.00 23.23 H new ATOM 0 HG23 ILE A 65 8.659 -17.930 3.619 1.00 23.23 H new ATOM 0 HD11 ILE A 65 12.780 -18.773 2.256 1.00 13.05 H new ATOM 0 HD12 ILE A 65 12.376 -20.173 3.277 1.00 13.05 H new ATOM 0 HD13 ILE A 65 11.207 -19.584 2.072 1.00 13.05 H new ATOM 967 N ALA A 66 9.069 -19.893 7.457 1.00 24.42 N ATOM 968 CA ALA A 66 7.998 -20.540 8.204 1.00 13.35 C ATOM 969 C ALA A 66 7.493 -19.642 9.329 1.00 43.52 C ATOM 970 O ALA A 66 6.290 -19.552 9.572 1.00 42.54 O ATOM 971 CB ALA A 66 8.474 -21.872 8.764 1.00 32.10 C ATOM 0 H ALA A 66 9.988 -20.317 7.585 1.00 24.42 H new ATOM 0 HA ALA A 66 7.170 -20.721 7.519 1.00 13.35 H new ATOM 0 HB1 ALA A 66 7.663 -22.344 9.319 1.00 32.10 H new ATOM 0 HB2 ALA A 66 8.779 -22.523 7.945 1.00 32.10 H new ATOM 0 HB3 ALA A 66 9.321 -21.705 9.430 1.00 32.10 H new ATOM 977 N ALA A 67 8.421 -18.979 10.012 1.00 31.22 N ATOM 978 CA ALA A 67 8.070 -18.087 11.110 1.00 34.10 C ATOM 979 C ALA A 67 7.397 -16.820 10.594 1.00 52.33 C ATOM 980 O ALA A 67 6.487 -16.284 11.229 1.00 24.30 O ATOM 981 CB ALA A 67 9.308 -17.736 11.922 1.00 34.40 C ATOM 0 H ALA A 67 9.421 -19.043 9.824 1.00 31.22 H new ATOM 0 HA ALA A 67 7.362 -18.607 11.755 1.00 34.10 H new ATOM 0 HB1 ALA A 67 9.031 -17.069 12.738 1.00 34.40 H new ATOM 0 HB2 ALA A 67 9.746 -18.647 12.330 1.00 34.40 H new ATOM 0 HB3 ALA A 67 10.036 -17.240 11.280 1.00 34.40 H new ATOM 987 N LEU A 68 7.849 -16.344 9.439 1.00 42.11 N ATOM 988 CA LEU A 68 7.291 -15.138 8.837 1.00 0.10 C ATOM 989 C LEU A 68 5.906 -15.409 8.259 1.00 51.04 C ATOM 990 O LEU A 68 5.026 -14.549 8.299 1.00 2.34 O ATOM 991 CB LEU A 68 8.220 -14.614 7.741 1.00 65.22 C ATOM 992 CG LEU A 68 9.252 -13.573 8.176 1.00 13.42 C ATOM 993 CD1 LEU A 68 10.281 -14.197 9.105 1.00 5.21 C ATOM 994 CD2 LEU A 68 9.931 -12.955 6.963 1.00 53.34 C ATOM 0 H LEU A 68 8.601 -16.775 8.901 1.00 42.11 H new ATOM 0 HA LEU A 68 7.198 -14.382 9.617 1.00 0.10 H new ATOM 0 HB2 LEU A 68 8.750 -15.461 7.306 1.00 65.22 H new ATOM 0 HB3 LEU A 68 7.608 -14.181 6.950 1.00 65.22 H new ATOM 0 HG LEU A 68 8.735 -12.782 8.719 1.00 13.42 H new ATOM 0 HD11 LEU A 68 11.007 -13.441 9.404 1.00 5.21 H new ATOM 0 HD12 LEU A 68 9.781 -14.590 9.990 1.00 5.21 H new ATOM 0 HD13 LEU A 68 10.794 -15.008 8.588 1.00 5.21 H new ATOM 0 HD21 LEU A 68 10.662 -12.217 7.292 1.00 53.34 H new ATOM 0 HD22 LEU A 68 10.435 -13.735 6.391 1.00 53.34 H new ATOM 0 HD23 LEU A 68 9.183 -12.470 6.335 1.00 53.34 H new ATOM 1006 N ARG A 69 5.719 -16.611 7.722 1.00 10.54 N ATOM 1007 CA ARG A 69 4.441 -16.995 7.137 1.00 75.32 C ATOM 1008 C ARG A 69 3.365 -17.117 8.212 1.00 55.41 C ATOM 1009 O ARG A 69 2.284 -16.541 8.089 1.00 51.22 O ATOM 1010 CB ARG A 69 4.578 -18.321 6.386 1.00 52.03 C ATOM 1011 CG ARG A 69 3.282 -18.798 5.751 1.00 71.23 C ATOM 1012 CD ARG A 69 3.040 -20.275 6.021 1.00 70.01 C ATOM 1013 NE ARG A 69 2.373 -20.495 7.302 1.00 65.14 N ATOM 1014 CZ ARG A 69 1.920 -21.678 7.701 1.00 65.45 C ATOM 1015 NH1 ARG A 69 2.062 -22.743 6.923 1.00 41.23 N ATOM 1016 NH2 ARG A 69 1.325 -21.799 8.880 1.00 12.11 N ATOM 0 H ARG A 69 6.437 -17.335 7.680 1.00 10.54 H new ATOM 0 HA ARG A 69 4.143 -16.216 6.435 1.00 75.32 H new ATOM 0 HB2 ARG A 69 5.335 -18.212 5.609 1.00 52.03 H new ATOM 0 HB3 ARG A 69 4.937 -19.084 7.076 1.00 52.03 H new ATOM 0 HG2 ARG A 69 2.448 -18.214 6.141 1.00 71.23 H new ATOM 0 HG3 ARG A 69 3.317 -18.625 4.675 1.00 71.23 H new ATOM 0 HD2 ARG A 69 2.433 -20.695 5.219 1.00 70.01 H new ATOM 0 HD3 ARG A 69 3.992 -20.806 6.012 1.00 70.01 H new ATOM 0 HE ARG A 69 2.248 -19.696 7.924 1.00 65.14 H new ATOM 0 HH11 ARG A 69 2.520 -22.655 6.016 1.00 41.23 H new ATOM 0 HH12 ARG A 69 1.713 -23.650 7.232 1.00 41.23 H new ATOM 0 HH21 ARG A 69 1.215 -20.983 9.482 1.00 12.11 H new ATOM 0 HH22 ARG A 69 0.978 -22.708 9.185 1.00 12.11 H new ATOM 1030 N GLN A 70 3.669 -17.869 9.264 1.00 32.41 N ATOM 1031 CA GLN A 70 2.727 -18.067 10.360 1.00 50.24 C ATOM 1032 C GLN A 70 2.287 -16.730 10.947 1.00 4.21 C ATOM 1033 O GLN A 70 1.139 -16.570 11.364 1.00 63.21 O ATOM 1034 CB GLN A 70 3.356 -18.935 11.451 1.00 40.31 C ATOM 1035 CG GLN A 70 4.629 -18.347 12.037 1.00 4.22 C ATOM 1036 CD GLN A 70 5.181 -19.174 13.182 1.00 52.22 C ATOM 1037 OE1 GLN A 70 5.059 -18.800 14.349 1.00 54.55 O ATOM 1038 NE2 GLN A 70 5.792 -20.306 12.854 1.00 43.13 N ATOM 0 H GLN A 70 4.560 -18.351 9.381 1.00 32.41 H new ATOM 0 HA GLN A 70 1.848 -18.576 9.963 1.00 50.24 H new ATOM 0 HB2 GLN A 70 2.631 -19.080 12.252 1.00 40.31 H new ATOM 0 HB3 GLN A 70 3.577 -19.919 11.038 1.00 40.31 H new ATOM 0 HG2 GLN A 70 5.383 -18.269 11.254 1.00 4.22 H new ATOM 0 HG3 GLN A 70 4.429 -17.335 12.388 1.00 4.22 H new ATOM 0 HE21 GLN A 70 5.871 -20.578 11.874 1.00 43.13 H new ATOM 0 HE22 GLN A 70 6.183 -20.904 13.582 1.00 43.13 H new ATOM 1047 N LEU A 71 3.207 -15.772 10.978 1.00 41.24 N ATOM 1048 CA LEU A 71 2.915 -14.447 11.515 1.00 73.33 C ATOM 1049 C LEU A 71 1.982 -13.677 10.586 1.00 42.34 C ATOM 1050 O LEU A 71 1.950 -13.922 9.380 1.00 54.43 O ATOM 1051 CB LEU A 71 4.211 -13.662 11.721 1.00 12.45 C ATOM 1052 CG LEU A 71 4.694 -13.532 13.166 1.00 11.04 C ATOM 1053 CD1 LEU A 71 4.924 -14.905 13.778 1.00 71.44 C ATOM 1054 CD2 LEU A 71 5.965 -12.698 13.231 1.00 11.20 C ATOM 0 H LEU A 71 4.162 -15.888 10.638 1.00 41.24 H new ATOM 0 HA LEU A 71 2.417 -14.573 12.477 1.00 73.33 H new ATOM 0 HB2 LEU A 71 4.998 -14.139 11.137 1.00 12.45 H new ATOM 0 HB3 LEU A 71 4.074 -12.660 11.313 1.00 12.45 H new ATOM 0 HG LEU A 71 3.920 -13.025 13.743 1.00 11.04 H new ATOM 0 HD11 LEU A 71 5.267 -14.792 14.806 1.00 71.44 H new ATOM 0 HD12 LEU A 71 3.991 -15.469 13.767 1.00 71.44 H new ATOM 0 HD13 LEU A 71 5.678 -15.439 13.200 1.00 71.44 H new ATOM 0 HD21 LEU A 71 6.294 -12.616 14.267 1.00 11.20 H new ATOM 0 HD22 LEU A 71 6.745 -13.177 12.639 1.00 11.20 H new ATOM 0 HD23 LEU A 71 5.768 -11.702 12.833 1.00 11.20 H new ATOM 1066 N SER A 72 1.227 -12.743 11.155 1.00 12.01 N ATOM 1067 CA SER A 72 0.292 -11.937 10.378 1.00 3.02 C ATOM 1068 C SER A 72 0.923 -10.606 9.981 1.00 12.44 C ATOM 1069 O SER A 72 0.242 -9.584 9.898 1.00 33.04 O ATOM 1070 CB SER A 72 -0.988 -11.690 11.178 1.00 11.52 C ATOM 1071 OG SER A 72 -0.691 -11.293 12.506 1.00 73.30 O ATOM 0 H SER A 72 1.244 -12.525 12.151 1.00 12.01 H new ATOM 0 HA SER A 72 0.043 -12.486 9.470 1.00 3.02 H new ATOM 0 HB2 SER A 72 -1.583 -10.919 10.689 1.00 11.52 H new ATOM 0 HB3 SER A 72 -1.592 -12.597 11.193 1.00 11.52 H new ATOM 0 HG SER A 72 -1.526 -11.140 12.996 1.00 73.30 H new ATOM 1077 N ALA A 73 2.229 -10.626 9.737 1.00 21.14 N ATOM 1078 CA ALA A 73 2.952 -9.422 9.347 1.00 24.24 C ATOM 1079 C ALA A 73 3.643 -9.609 8.001 1.00 41.22 C ATOM 1080 O ALA A 73 3.786 -8.660 7.229 1.00 63.31 O ATOM 1081 CB ALA A 73 3.968 -9.047 10.416 1.00 22.23 C ATOM 0 H ALA A 73 2.808 -11.463 9.803 1.00 21.14 H new ATOM 0 HA ALA A 73 2.231 -8.611 9.246 1.00 24.24 H new ATOM 0 HB1 ALA A 73 4.501 -8.146 10.112 1.00 22.23 H new ATOM 0 HB2 ALA A 73 3.453 -8.863 11.359 1.00 22.23 H new ATOM 0 HB3 ALA A 73 4.679 -9.863 10.544 1.00 22.23 H new ATOM 1087 N TYR A 74 4.070 -10.836 7.725 1.00 21.13 N ATOM 1088 CA TYR A 74 4.749 -11.146 6.473 1.00 70.03 C ATOM 1089 C TYR A 74 3.887 -12.047 5.594 1.00 33.22 C ATOM 1090 O TYR A 74 4.058 -12.094 4.376 1.00 2.15 O ATOM 1091 CB TYR A 74 6.093 -11.821 6.750 1.00 3.23 C ATOM 1092 CG TYR A 74 6.902 -11.138 7.831 1.00 72.35 C ATOM 1093 CD1 TYR A 74 6.629 -11.361 9.175 1.00 42.02 C ATOM 1094 CD2 TYR A 74 7.937 -10.270 7.507 1.00 23.33 C ATOM 1095 CE1 TYR A 74 7.365 -10.739 10.165 1.00 34.23 C ATOM 1096 CE2 TYR A 74 8.679 -9.645 8.491 1.00 71.30 C ATOM 1097 CZ TYR A 74 8.389 -9.883 9.818 1.00 14.24 C ATOM 1098 OH TYR A 74 9.124 -9.261 10.801 1.00 21.03 O ATOM 0 H TYR A 74 3.958 -11.633 8.352 1.00 21.13 H new ATOM 0 HA TYR A 74 4.923 -10.210 5.943 1.00 70.03 H new ATOM 0 HB2 TYR A 74 5.917 -12.857 7.039 1.00 3.23 H new ATOM 0 HB3 TYR A 74 6.676 -11.842 5.829 1.00 3.23 H new ATOM 0 HD1 TYR A 74 5.828 -12.032 9.450 1.00 42.02 H new ATOM 0 HD2 TYR A 74 8.166 -10.080 6.469 1.00 23.33 H new ATOM 0 HE1 TYR A 74 7.140 -10.922 11.205 1.00 34.23 H new ATOM 0 HE2 TYR A 74 9.481 -8.974 8.222 1.00 71.30 H new ATOM 0 HH TYR A 74 9.817 -8.705 10.388 1.00 21.03 H new ATOM 1108 N ALA A 75 2.958 -12.761 6.222 1.00 62.50 N ATOM 1109 CA ALA A 75 2.067 -13.660 5.499 1.00 54.52 C ATOM 1110 C ALA A 75 1.476 -12.975 4.271 1.00 54.00 C ATOM 1111 O ALA A 75 1.347 -13.586 3.210 1.00 54.32 O ATOM 1112 CB ALA A 75 0.957 -14.153 6.416 1.00 41.14 C ATOM 0 H ALA A 75 2.803 -12.734 7.230 1.00 62.50 H new ATOM 0 HA ALA A 75 2.650 -14.516 5.160 1.00 54.52 H new ATOM 0 HB1 ALA A 75 0.299 -14.823 5.863 1.00 41.14 H new ATOM 0 HB2 ALA A 75 1.393 -14.687 7.260 1.00 41.14 H new ATOM 0 HB3 ALA A 75 0.383 -13.302 6.782 1.00 41.14 H new ATOM 1118 N ASP A 76 1.118 -11.705 4.423 1.00 54.24 N ATOM 1119 CA ASP A 76 0.540 -10.937 3.326 1.00 42.15 C ATOM 1120 C ASP A 76 1.624 -10.470 2.359 1.00 24.41 C ATOM 1121 O ASP A 76 1.404 -10.396 1.150 1.00 70.23 O ATOM 1122 CB ASP A 76 -0.230 -9.732 3.868 1.00 42.20 C ATOM 1123 CG ASP A 76 -1.667 -10.070 4.212 1.00 21.11 C ATOM 1124 OD1 ASP A 76 -1.991 -10.126 5.417 1.00 75.30 O ATOM 1125 OD2 ASP A 76 -2.467 -10.278 3.277 1.00 54.13 O ATOM 0 H ASP A 76 1.218 -11.185 5.295 1.00 54.24 H new ATOM 0 HA ASP A 76 -0.149 -11.586 2.786 1.00 42.15 H new ATOM 0 HB2 ASP A 76 0.274 -9.353 4.757 1.00 42.20 H new ATOM 0 HB3 ASP A 76 -0.215 -8.932 3.128 1.00 42.20 H new ATOM 1130 N THR A 77 2.797 -10.155 2.900 1.00 21.54 N ATOM 1131 CA THR A 77 3.915 -9.694 2.087 1.00 0.02 C ATOM 1132 C THR A 77 4.307 -10.738 1.048 1.00 21.22 C ATOM 1133 O THR A 77 4.447 -11.924 1.347 1.00 22.31 O ATOM 1134 CB THR A 77 5.143 -9.364 2.956 1.00 25.41 C ATOM 1135 OG1 THR A 77 4.775 -8.458 4.002 1.00 31.40 O ATOM 1136 CG2 THR A 77 6.253 -8.751 2.115 1.00 73.33 C ATOM 0 H THR A 77 2.997 -10.211 3.899 1.00 21.54 H new ATOM 0 HA THR A 77 3.584 -8.788 1.580 1.00 0.02 H new ATOM 0 HB THR A 77 5.510 -10.293 3.393 1.00 25.41 H new ATOM 0 HG1 THR A 77 5.561 -8.255 4.551 1.00 31.40 H new ATOM 0 HG21 THR A 77 7.109 -8.527 2.751 1.00 73.33 H new ATOM 0 HG22 THR A 77 6.552 -9.455 1.338 1.00 73.33 H new ATOM 0 HG23 THR A 77 5.894 -7.832 1.653 1.00 73.33 H new ATOM 1144 N PRO A 78 4.490 -10.290 -0.203 1.00 12.03 N ATOM 1145 CA PRO A 78 4.870 -11.170 -1.311 1.00 71.35 C ATOM 1146 C PRO A 78 6.300 -11.682 -1.181 1.00 65.02 C ATOM 1147 O PRO A 78 7.212 -10.925 -0.846 1.00 20.12 O ATOM 1148 CB PRO A 78 4.734 -10.270 -2.542 1.00 20.01 C ATOM 1149 CG PRO A 78 4.914 -8.886 -2.021 1.00 25.25 C ATOM 1150 CD PRO A 78 4.340 -8.889 -0.631 1.00 20.01 C ATOM 0 HA PRO A 78 4.250 -12.066 -1.350 1.00 71.35 H new ATOM 0 HB2 PRO A 78 5.486 -10.511 -3.294 1.00 20.01 H new ATOM 0 HB3 PRO A 78 3.760 -10.391 -3.015 1.00 20.01 H new ATOM 0 HG2 PRO A 78 5.968 -8.608 -2.007 1.00 25.25 H new ATOM 0 HG3 PRO A 78 4.401 -8.161 -2.653 1.00 25.25 H new ATOM 0 HD2 PRO A 78 4.879 -8.208 0.028 1.00 20.01 H new ATOM 0 HD3 PRO A 78 3.296 -8.577 -0.627 1.00 20.01 H new ATOM 1158 N ILE A 79 6.490 -12.970 -1.449 1.00 10.33 N ATOM 1159 CA ILE A 79 7.810 -13.581 -1.363 1.00 4.04 C ATOM 1160 C ILE A 79 8.146 -14.345 -2.639 1.00 25.44 C ATOM 1161 O ILE A 79 7.364 -15.176 -3.102 1.00 22.51 O ATOM 1162 CB ILE A 79 7.910 -14.540 -0.162 1.00 35.12 C ATOM 1163 CG1 ILE A 79 7.771 -13.765 1.150 1.00 25.34 C ATOM 1164 CG2 ILE A 79 9.227 -15.300 -0.198 1.00 71.23 C ATOM 1165 CD1 ILE A 79 8.843 -12.716 1.348 1.00 52.20 C ATOM 0 H ILE A 79 5.746 -13.610 -1.727 1.00 10.33 H new ATOM 0 HA ILE A 79 8.525 -12.769 -1.229 1.00 4.04 H new ATOM 0 HB ILE A 79 7.096 -15.262 -0.224 1.00 35.12 H new ATOM 0 HG12 ILE A 79 6.793 -13.284 1.176 1.00 25.34 H new ATOM 0 HG13 ILE A 79 7.803 -14.467 1.983 1.00 25.34 H new ATOM 0 HG21 ILE A 79 9.282 -15.973 0.657 1.00 71.23 H new ATOM 0 HG22 ILE A 79 9.288 -15.879 -1.120 1.00 71.23 H new ATOM 0 HG23 ILE A 79 10.056 -14.593 -0.157 1.00 71.23 H new ATOM 0 HD11 ILE A 79 8.682 -12.206 2.298 1.00 52.20 H new ATOM 0 HD12 ILE A 79 9.823 -13.194 1.354 1.00 52.20 H new ATOM 0 HD13 ILE A 79 8.797 -11.991 0.535 1.00 52.20 H new ATOM 1177 N LEU A 80 9.315 -14.060 -3.202 1.00 24.53 N ATOM 1178 CA LEU A 80 9.757 -14.723 -4.424 1.00 44.42 C ATOM 1179 C LEU A 80 11.112 -15.393 -4.221 1.00 23.00 C ATOM 1180 O LEU A 80 12.107 -14.730 -3.929 1.00 4.24 O ATOM 1181 CB LEU A 80 9.841 -13.715 -5.572 1.00 3.43 C ATOM 1182 CG LEU A 80 8.547 -12.973 -5.910 1.00 24.21 C ATOM 1183 CD1 LEU A 80 7.367 -13.932 -5.909 1.00 11.05 C ATOM 1184 CD2 LEU A 80 8.313 -11.834 -4.928 1.00 61.41 C ATOM 0 H LEU A 80 9.974 -13.375 -2.832 1.00 24.53 H new ATOM 0 HA LEU A 80 9.026 -15.492 -4.675 1.00 44.42 H new ATOM 0 HB2 LEU A 80 10.605 -12.978 -5.326 1.00 3.43 H new ATOM 0 HB3 LEU A 80 10.179 -14.240 -6.466 1.00 3.43 H new ATOM 0 HG LEU A 80 8.644 -12.549 -6.910 1.00 24.21 H new ATOM 0 HD11 LEU A 80 6.455 -13.387 -6.151 1.00 11.05 H new ATOM 0 HD12 LEU A 80 7.532 -14.712 -6.652 1.00 11.05 H new ATOM 0 HD13 LEU A 80 7.267 -14.385 -4.923 1.00 11.05 H new ATOM 0 HD21 LEU A 80 7.388 -11.317 -5.184 1.00 61.41 H new ATOM 0 HD22 LEU A 80 8.237 -12.235 -3.917 1.00 61.41 H new ATOM 0 HD23 LEU A 80 9.146 -11.133 -4.979 1.00 61.41 H new ATOM 1196 N VAL A 81 11.144 -16.712 -4.380 1.00 72.40 N ATOM 1197 CA VAL A 81 12.377 -17.473 -4.217 1.00 41.15 C ATOM 1198 C VAL A 81 12.954 -17.879 -5.569 1.00 24.03 C ATOM 1199 O VAL A 81 12.234 -18.357 -6.446 1.00 33.11 O ATOM 1200 CB VAL A 81 12.149 -18.737 -3.368 1.00 20.20 C ATOM 1201 CG1 VAL A 81 11.216 -19.701 -4.085 1.00 31.22 C ATOM 1202 CG2 VAL A 81 13.476 -19.408 -3.044 1.00 53.35 C ATOM 0 H VAL A 81 10.329 -17.276 -4.622 1.00 72.40 H new ATOM 0 HA VAL A 81 13.085 -16.823 -3.703 1.00 41.15 H new ATOM 0 HB VAL A 81 11.678 -18.443 -2.430 1.00 20.20 H new ATOM 0 HG11 VAL A 81 11.067 -20.588 -3.470 1.00 31.22 H new ATOM 0 HG12 VAL A 81 10.256 -19.215 -4.261 1.00 31.22 H new ATOM 0 HG13 VAL A 81 11.656 -19.991 -5.039 1.00 31.22 H new ATOM 0 HG21 VAL A 81 13.296 -20.300 -2.443 1.00 53.35 H new ATOM 0 HG22 VAL A 81 13.977 -19.690 -3.970 1.00 53.35 H new ATOM 0 HG23 VAL A 81 14.107 -18.716 -2.486 1.00 53.35 H new ATOM 1212 N LEU A 82 14.259 -17.686 -5.730 1.00 72.54 N ATOM 1213 CA LEU A 82 14.935 -18.033 -6.976 1.00 32.43 C ATOM 1214 C LEU A 82 15.343 -19.503 -6.983 1.00 33.23 C ATOM 1215 O LEU A 82 15.586 -20.097 -5.931 1.00 41.24 O ATOM 1216 CB LEU A 82 16.167 -17.149 -7.173 1.00 64.33 C ATOM 1217 CG LEU A 82 16.022 -15.689 -6.744 1.00 32.12 C ATOM 1218 CD1 LEU A 82 16.682 -15.462 -5.393 1.00 2.31 C ATOM 1219 CD2 LEU A 82 16.618 -14.762 -7.794 1.00 33.45 C ATOM 0 H LEU A 82 14.870 -17.292 -5.014 1.00 72.54 H new ATOM 0 HA LEU A 82 14.239 -17.865 -7.798 1.00 32.43 H new ATOM 0 HB2 LEU A 82 16.997 -17.589 -6.620 1.00 64.33 H new ATOM 0 HB3 LEU A 82 16.440 -17.171 -8.228 1.00 64.33 H new ATOM 0 HG LEU A 82 14.960 -15.462 -6.649 1.00 32.12 H new ATOM 0 HD11 LEU A 82 16.569 -14.417 -5.104 1.00 2.31 H new ATOM 0 HD12 LEU A 82 16.209 -16.099 -4.645 1.00 2.31 H new ATOM 0 HD13 LEU A 82 17.742 -15.707 -5.460 1.00 2.31 H new ATOM 0 HD21 LEU A 82 16.506 -13.727 -7.471 1.00 33.45 H new ATOM 0 HD22 LEU A 82 17.676 -14.989 -7.922 1.00 33.45 H new ATOM 0 HD23 LEU A 82 16.099 -14.905 -8.742 1.00 33.45 H new ATOM 1231 N THR A 83 15.418 -20.086 -8.175 1.00 52.34 N ATOM 1232 CA THR A 83 15.797 -21.485 -8.320 1.00 24.41 C ATOM 1233 C THR A 83 16.453 -21.740 -9.672 1.00 63.41 C ATOM 1234 O THR A 83 16.322 -20.940 -10.599 1.00 74.41 O ATOM 1235 CB THR A 83 14.579 -22.416 -8.169 1.00 64.22 C ATOM 1236 OG1 THR A 83 14.989 -23.783 -8.289 1.00 5.11 O ATOM 1237 CG2 THR A 83 13.526 -22.103 -9.221 1.00 70.52 C ATOM 0 H THR A 83 15.221 -19.610 -9.055 1.00 52.34 H new ATOM 0 HA THR A 83 16.512 -21.702 -7.526 1.00 24.41 H new ATOM 0 HB THR A 83 14.145 -22.253 -7.183 1.00 64.22 H new ATOM 0 HG1 THR A 83 14.420 -24.239 -8.944 1.00 5.11 H new ATOM 0 HG21 THR A 83 12.675 -22.773 -9.095 1.00 70.52 H new ATOM 0 HG22 THR A 83 13.195 -21.071 -9.108 1.00 70.52 H new ATOM 0 HG23 THR A 83 13.952 -22.241 -10.215 1.00 70.52 H new ATOM 1245 N THR A 84 17.161 -22.861 -9.780 1.00 11.23 N ATOM 1246 CA THR A 84 17.838 -23.221 -11.019 1.00 20.21 C ATOM 1247 C THR A 84 17.080 -24.315 -11.762 1.00 32.33 C ATOM 1248 O THR A 84 17.050 -24.336 -12.992 1.00 30.24 O ATOM 1249 CB THR A 84 19.278 -23.700 -10.754 1.00 11.34 C ATOM 1250 OG1 THR A 84 19.939 -23.975 -11.994 1.00 10.23 O ATOM 1251 CG2 THR A 84 19.282 -24.947 -9.883 1.00 71.32 C ATOM 0 H THR A 84 17.280 -23.535 -9.024 1.00 11.23 H new ATOM 0 HA THR A 84 17.869 -22.322 -11.634 1.00 20.21 H new ATOM 0 HB THR A 84 19.810 -22.907 -10.228 1.00 11.34 H new ATOM 0 HG1 THR A 84 20.854 -24.277 -11.817 1.00 10.23 H new ATOM 0 HG21 THR A 84 20.310 -25.266 -9.710 1.00 71.32 H new ATOM 0 HG22 THR A 84 18.805 -24.726 -8.928 1.00 71.32 H new ATOM 0 HG23 THR A 84 18.734 -25.744 -10.386 1.00 71.32 H new ATOM 1259 N GLU A 85 16.468 -25.222 -11.006 1.00 73.14 N ATOM 1260 CA GLU A 85 15.709 -26.319 -11.595 1.00 62.43 C ATOM 1261 C GLU A 85 14.217 -26.158 -11.322 1.00 13.44 C ATOM 1262 O GLU A 85 13.784 -26.141 -10.170 1.00 51.31 O ATOM 1263 CB GLU A 85 16.198 -27.660 -11.043 1.00 73.33 C ATOM 1264 CG GLU A 85 15.123 -28.734 -11.012 1.00 53.34 C ATOM 1265 CD GLU A 85 15.698 -30.136 -11.043 1.00 72.42 C ATOM 1266 OE1 GLU A 85 16.185 -30.554 -12.115 1.00 12.21 O ATOM 1267 OE2 GLU A 85 15.661 -30.817 -9.997 1.00 12.43 O ATOM 0 H GLU A 85 16.483 -25.219 -9.986 1.00 73.14 H new ATOM 0 HA GLU A 85 15.867 -26.298 -12.673 1.00 62.43 H new ATOM 0 HB2 GLU A 85 17.033 -28.011 -11.650 1.00 73.33 H new ATOM 0 HB3 GLU A 85 16.579 -27.510 -10.033 1.00 73.33 H new ATOM 0 HG2 GLU A 85 14.519 -28.613 -10.112 1.00 53.34 H new ATOM 0 HG3 GLU A 85 14.456 -28.600 -11.864 1.00 53.34 H new ATOM 1274 N GLY A 86 13.434 -26.038 -12.390 1.00 64.32 N ATOM 1275 CA GLY A 86 11.999 -25.879 -12.245 1.00 4.51 C ATOM 1276 C GLY A 86 11.287 -27.200 -12.039 1.00 73.55 C ATOM 1277 O GLY A 86 10.367 -27.540 -12.784 1.00 63.12 O ATOM 0 H GLY A 86 13.768 -26.048 -13.354 1.00 64.32 H new ATOM 0 HA2 GLY A 86 11.793 -25.223 -11.399 1.00 4.51 H new ATOM 0 HA3 GLY A 86 11.599 -25.389 -13.133 1.00 4.51 H new ATOM 1281 N SER A 87 11.712 -27.950 -11.027 1.00 45.43 N ATOM 1282 CA SER A 87 11.112 -29.245 -10.730 1.00 3.34 C ATOM 1283 C SER A 87 9.835 -29.077 -9.912 1.00 41.51 C ATOM 1284 O SER A 87 9.754 -28.214 -9.037 1.00 61.40 O ATOM 1285 CB SER A 87 12.104 -30.128 -9.971 1.00 5.14 C ATOM 1286 OG SER A 87 12.787 -31.002 -10.852 1.00 71.54 O ATOM 0 H SER A 87 12.470 -27.683 -10.399 1.00 45.43 H new ATOM 0 HA SER A 87 10.858 -29.725 -11.675 1.00 3.34 H new ATOM 0 HB2 SER A 87 12.824 -29.502 -9.445 1.00 5.14 H new ATOM 0 HB3 SER A 87 11.575 -30.709 -9.216 1.00 5.14 H new ATOM 0 HG SER A 87 13.503 -31.462 -10.366 1.00 71.54 H new ATOM 1292 N ASP A 88 8.840 -29.906 -10.204 1.00 72.43 N ATOM 1293 CA ASP A 88 7.566 -29.852 -9.497 1.00 11.33 C ATOM 1294 C ASP A 88 7.755 -30.151 -8.013 1.00 2.22 C ATOM 1295 O ASP A 88 7.087 -29.565 -7.161 1.00 71.34 O ATOM 1296 CB ASP A 88 6.576 -30.845 -10.108 1.00 12.55 C ATOM 1297 CG ASP A 88 5.220 -30.801 -9.431 1.00 12.42 C ATOM 1298 OD1 ASP A 88 4.481 -31.803 -9.519 1.00 14.13 O ATOM 1299 OD2 ASP A 88 4.898 -29.763 -8.814 1.00 35.41 O ATOM 0 H ASP A 88 8.891 -30.624 -10.926 1.00 72.43 H new ATOM 0 HA ASP A 88 7.165 -28.843 -9.598 1.00 11.33 H new ATOM 0 HB2 ASP A 88 6.456 -30.628 -11.169 1.00 12.55 H new ATOM 0 HB3 ASP A 88 6.984 -31.853 -10.033 1.00 12.55 H new ATOM 1304 N ALA A 89 8.670 -31.067 -7.711 1.00 53.30 N ATOM 1305 CA ALA A 89 8.948 -31.443 -6.330 1.00 55.25 C ATOM 1306 C ALA A 89 9.448 -30.248 -5.526 1.00 62.01 C ATOM 1307 O ALA A 89 9.074 -30.067 -4.367 1.00 44.41 O ATOM 1308 CB ALA A 89 9.963 -32.575 -6.286 1.00 45.41 C ATOM 0 H ALA A 89 9.231 -31.562 -8.404 1.00 53.30 H new ATOM 0 HA ALA A 89 8.018 -31.787 -5.878 1.00 55.25 H new ATOM 0 HB1 ALA A 89 10.161 -32.846 -5.249 1.00 45.41 H new ATOM 0 HB2 ALA A 89 9.566 -33.440 -6.817 1.00 45.41 H new ATOM 0 HB3 ALA A 89 10.890 -32.251 -6.760 1.00 45.41 H new ATOM 1314 N PHE A 90 10.297 -29.436 -6.148 1.00 14.23 N ATOM 1315 CA PHE A 90 10.850 -28.259 -5.489 1.00 2.35 C ATOM 1316 C PHE A 90 9.743 -27.289 -5.087 1.00 54.21 C ATOM 1317 O PHE A 90 9.798 -26.670 -4.024 1.00 43.34 O ATOM 1318 CB PHE A 90 11.850 -27.556 -6.409 1.00 4.33 C ATOM 1319 CG PHE A 90 12.921 -26.806 -5.669 1.00 24.42 C ATOM 1320 CD1 PHE A 90 12.636 -25.605 -5.040 1.00 25.34 C ATOM 1321 CD2 PHE A 90 14.213 -27.303 -5.603 1.00 43.11 C ATOM 1322 CE1 PHE A 90 13.620 -24.913 -4.358 1.00 34.44 C ATOM 1323 CE2 PHE A 90 15.200 -26.616 -4.922 1.00 44.33 C ATOM 1324 CZ PHE A 90 14.904 -25.419 -4.300 1.00 14.11 C ATOM 0 H PHE A 90 10.617 -29.572 -7.107 1.00 14.23 H new ATOM 0 HA PHE A 90 11.365 -28.588 -4.587 1.00 2.35 H new ATOM 0 HB2 PHE A 90 12.318 -28.297 -7.057 1.00 4.33 H new ATOM 0 HB3 PHE A 90 11.312 -26.862 -7.055 1.00 4.33 H new ATOM 0 HD1 PHE A 90 11.634 -25.205 -5.083 1.00 25.34 H new ATOM 0 HD2 PHE A 90 14.451 -28.238 -6.089 1.00 43.11 H new ATOM 0 HE1 PHE A 90 13.385 -23.978 -3.871 1.00 34.44 H new ATOM 0 HE2 PHE A 90 16.203 -27.015 -4.876 1.00 44.33 H new ATOM 0 HZ PHE A 90 15.675 -24.880 -3.769 1.00 14.11 H new ATOM 1334 N LYS A 91 8.736 -27.161 -5.946 1.00 25.35 N ATOM 1335 CA LYS A 91 7.614 -26.268 -5.683 1.00 24.14 C ATOM 1336 C LYS A 91 7.013 -26.540 -4.307 1.00 45.32 C ATOM 1337 O LYS A 91 6.591 -25.617 -3.611 1.00 22.12 O ATOM 1338 CB LYS A 91 6.541 -26.433 -6.761 1.00 43.22 C ATOM 1339 CG LYS A 91 7.035 -26.119 -8.163 1.00 73.10 C ATOM 1340 CD LYS A 91 6.014 -26.518 -9.216 1.00 0.33 C ATOM 1341 CE LYS A 91 6.568 -26.347 -10.622 1.00 11.10 C ATOM 1342 NZ LYS A 91 5.492 -26.389 -11.651 1.00 21.42 N ATOM 0 H LYS A 91 8.675 -27.665 -6.831 1.00 25.35 H new ATOM 0 HA LYS A 91 7.985 -25.243 -5.702 1.00 24.14 H new ATOM 0 HB2 LYS A 91 6.168 -27.457 -6.737 1.00 43.22 H new ATOM 0 HB3 LYS A 91 5.699 -25.781 -6.527 1.00 43.22 H new ATOM 0 HG2 LYS A 91 7.246 -25.053 -8.245 1.00 73.10 H new ATOM 0 HG3 LYS A 91 7.972 -26.645 -8.346 1.00 73.10 H new ATOM 0 HD2 LYS A 91 5.719 -27.556 -9.064 1.00 0.33 H new ATOM 0 HD3 LYS A 91 5.116 -25.912 -9.101 1.00 0.33 H new ATOM 0 HE2 LYS A 91 7.099 -25.397 -10.690 1.00 11.10 H new ATOM 0 HE3 LYS A 91 7.295 -27.134 -10.824 1.00 11.10 H new ATOM 0 HZ1 LYS A 91 5.910 -26.269 -12.596 1.00 21.42 H new ATOM 0 HZ2 LYS A 91 5.002 -27.305 -11.603 1.00 21.42 H new ATOM 0 HZ3 LYS A 91 4.812 -25.623 -11.474 1.00 21.42 H new ATOM 1356 N ALA A 92 6.980 -27.811 -3.922 1.00 32.23 N ATOM 1357 CA ALA A 92 6.434 -28.203 -2.628 1.00 61.12 C ATOM 1358 C ALA A 92 7.227 -27.577 -1.486 1.00 33.24 C ATOM 1359 O ALA A 92 6.665 -27.222 -0.450 1.00 1.21 O ATOM 1360 CB ALA A 92 6.423 -29.719 -2.497 1.00 43.13 C ATOM 0 H ALA A 92 7.325 -28.587 -4.487 1.00 32.23 H new ATOM 0 HA ALA A 92 5.409 -27.837 -2.568 1.00 61.12 H new ATOM 0 HB1 ALA A 92 6.013 -29.997 -1.526 1.00 43.13 H new ATOM 0 HB2 ALA A 92 5.807 -30.148 -3.288 1.00 43.13 H new ATOM 0 HB3 ALA A 92 7.441 -30.099 -2.583 1.00 43.13 H new ATOM 1366 N ALA A 93 8.535 -27.446 -1.681 1.00 73.12 N ATOM 1367 CA ALA A 93 9.404 -26.862 -0.667 1.00 51.13 C ATOM 1368 C ALA A 93 9.083 -25.387 -0.453 1.00 14.24 C ATOM 1369 O ALA A 93 8.704 -24.978 0.644 1.00 13.34 O ATOM 1370 CB ALA A 93 10.864 -27.034 -1.061 1.00 35.34 C ATOM 0 H ALA A 93 9.016 -27.737 -2.532 1.00 73.12 H new ATOM 0 HA ALA A 93 9.228 -27.386 0.273 1.00 51.13 H new ATOM 0 HB1 ALA A 93 11.502 -26.593 -0.295 1.00 35.34 H new ATOM 0 HB2 ALA A 93 11.092 -28.095 -1.157 1.00 35.34 H new ATOM 0 HB3 ALA A 93 11.045 -26.537 -2.014 1.00 35.34 H new ATOM 1376 N ALA A 94 9.237 -24.593 -1.507 1.00 2.30 N ATOM 1377 CA ALA A 94 8.962 -23.163 -1.434 1.00 21.25 C ATOM 1378 C ALA A 94 7.578 -22.900 -0.849 1.00 43.34 C ATOM 1379 O ALA A 94 7.410 -22.028 0.004 1.00 40.05 O ATOM 1380 CB ALA A 94 9.084 -22.531 -2.812 1.00 4.31 C ATOM 0 H ALA A 94 9.551 -24.916 -2.422 1.00 2.30 H new ATOM 0 HA ALA A 94 9.700 -22.709 -0.772 1.00 21.25 H new ATOM 0 HB1 ALA A 94 8.876 -21.463 -2.742 1.00 4.31 H new ATOM 0 HB2 ALA A 94 10.095 -22.680 -3.192 1.00 4.31 H new ATOM 0 HB3 ALA A 94 8.369 -22.996 -3.490 1.00 4.31 H new ATOM 1386 N ARG A 95 6.591 -23.658 -1.315 1.00 13.45 N ATOM 1387 CA ARG A 95 5.221 -23.504 -0.839 1.00 60.12 C ATOM 1388 C ARG A 95 5.093 -23.970 0.608 1.00 15.43 C ATOM 1389 O ARG A 95 4.336 -23.395 1.391 1.00 52.41 O ATOM 1390 CB ARG A 95 4.259 -24.295 -1.728 1.00 13.54 C ATOM 1391 CG ARG A 95 3.853 -23.557 -2.993 1.00 50.11 C ATOM 1392 CD ARG A 95 3.310 -24.512 -4.045 1.00 1.22 C ATOM 1393 NE ARG A 95 2.110 -25.207 -3.586 1.00 3.40 N ATOM 1394 CZ ARG A 95 1.561 -26.229 -4.232 1.00 52.11 C ATOM 1395 NH1 ARG A 95 2.101 -26.673 -5.359 1.00 11.04 N ATOM 1396 NH2 ARG A 95 0.469 -26.809 -3.751 1.00 72.53 N ATOM 0 H ARG A 95 6.714 -24.384 -2.021 1.00 13.45 H new ATOM 0 HA ARG A 95 4.963 -22.446 -0.886 1.00 60.12 H new ATOM 0 HB2 ARG A 95 4.726 -25.241 -2.003 1.00 13.54 H new ATOM 0 HB3 ARG A 95 3.364 -24.537 -1.155 1.00 13.54 H new ATOM 0 HG2 ARG A 95 3.096 -22.810 -2.753 1.00 50.11 H new ATOM 0 HG3 ARG A 95 4.713 -23.022 -3.395 1.00 50.11 H new ATOM 0 HD2 ARG A 95 3.082 -23.957 -4.955 1.00 1.22 H new ATOM 0 HD3 ARG A 95 4.077 -25.243 -4.301 1.00 1.22 H new ATOM 0 HE ARG A 95 1.670 -24.890 -2.722 1.00 3.40 H new ATOM 0 HH11 ARG A 95 2.940 -26.229 -5.732 1.00 11.04 H new ATOM 0 HH12 ARG A 95 1.677 -27.458 -5.853 1.00 11.04 H new ATOM 0 HH21 ARG A 95 0.051 -26.470 -2.885 1.00 72.53 H new ATOM 0 HH22 ARG A 95 0.048 -27.594 -4.248 1.00 72.53 H new ATOM 1410 N ASP A 96 5.836 -25.014 0.957 1.00 51.15 N ATOM 1411 CA ASP A 96 5.806 -25.557 2.310 1.00 51.32 C ATOM 1412 C ASP A 96 6.232 -24.503 3.327 1.00 31.14 C ATOM 1413 O ASP A 96 5.638 -24.384 4.398 1.00 33.55 O ATOM 1414 CB ASP A 96 6.718 -26.780 2.412 1.00 72.32 C ATOM 1415 CG ASP A 96 6.858 -27.281 3.836 1.00 52.20 C ATOM 1416 OD1 ASP A 96 7.997 -27.585 4.249 1.00 73.20 O ATOM 1417 OD2 ASP A 96 5.829 -27.367 4.538 1.00 72.42 O ATOM 0 H ASP A 96 6.467 -25.502 0.321 1.00 51.15 H new ATOM 0 HA ASP A 96 4.782 -25.858 2.532 1.00 51.32 H new ATOM 0 HB2 ASP A 96 6.321 -27.579 1.786 1.00 72.32 H new ATOM 0 HB3 ASP A 96 7.703 -26.528 2.020 1.00 72.32 H new ATOM 1422 N ALA A 97 7.266 -23.741 2.985 1.00 33.12 N ATOM 1423 CA ALA A 97 7.771 -22.697 3.868 1.00 34.22 C ATOM 1424 C ALA A 97 6.746 -21.582 4.042 1.00 54.43 C ATOM 1425 O ALA A 97 6.614 -21.008 5.122 1.00 24.43 O ATOM 1426 CB ALA A 97 9.078 -22.136 3.329 1.00 71.25 C ATOM 0 H ALA A 97 7.770 -23.827 2.103 1.00 33.12 H new ATOM 0 HA ALA A 97 7.955 -23.141 4.846 1.00 34.22 H new ATOM 0 HB1 ALA A 97 9.443 -21.357 3.999 1.00 71.25 H new ATOM 0 HB2 ALA A 97 9.817 -22.934 3.263 1.00 71.25 H new ATOM 0 HB3 ALA A 97 8.911 -21.714 2.338 1.00 71.25 H new ATOM 1432 N GLY A 98 6.021 -21.278 2.969 1.00 12.21 N ATOM 1433 CA GLY A 98 5.017 -20.231 3.024 1.00 3.10 C ATOM 1434 C GLY A 98 5.355 -19.057 2.127 1.00 51.40 C ATOM 1435 O GLY A 98 5.131 -17.903 2.493 1.00 73.14 O ATOM 0 H GLY A 98 6.111 -21.738 2.063 1.00 12.21 H new ATOM 0 HA2 GLY A 98 4.051 -20.642 2.731 1.00 3.10 H new ATOM 0 HA3 GLY A 98 4.916 -19.882 4.052 1.00 3.10 H new ATOM 1439 N ALA A 99 5.897 -19.350 0.950 1.00 40.04 N ATOM 1440 CA ALA A 99 6.266 -18.309 -0.002 1.00 72.52 C ATOM 1441 C ALA A 99 5.193 -18.140 -1.073 1.00 4.42 C ATOM 1442 O ALA A 99 4.634 -19.119 -1.568 1.00 2.21 O ATOM 1443 CB ALA A 99 7.608 -18.632 -0.643 1.00 14.10 C ATOM 0 H ALA A 99 6.091 -20.300 0.632 1.00 40.04 H new ATOM 0 HA ALA A 99 6.352 -17.368 0.541 1.00 72.52 H new ATOM 0 HB1 ALA A 99 7.871 -17.847 -1.352 1.00 14.10 H new ATOM 0 HB2 ALA A 99 8.374 -18.696 0.130 1.00 14.10 H new ATOM 0 HB3 ALA A 99 7.541 -19.586 -1.167 1.00 14.10 H new ATOM 1449 N THR A 100 4.909 -16.890 -1.427 1.00 3.15 N ATOM 1450 CA THR A 100 3.902 -16.592 -2.437 1.00 44.40 C ATOM 1451 C THR A 100 4.149 -17.391 -3.712 1.00 1.44 C ATOM 1452 O THR A 100 3.338 -18.233 -4.095 1.00 2.14 O ATOM 1453 CB THR A 100 3.880 -15.091 -2.782 1.00 0.51 C ATOM 1454 OG1 THR A 100 3.637 -14.320 -1.600 1.00 0.22 O ATOM 1455 CG2 THR A 100 2.809 -14.789 -3.819 1.00 35.51 C ATOM 0 H THR A 100 5.363 -16.068 -1.029 1.00 3.15 H new ATOM 0 HA THR A 100 2.938 -16.875 -2.015 1.00 44.40 H new ATOM 0 HB THR A 100 4.851 -14.823 -3.197 1.00 0.51 H new ATOM 0 HG1 THR A 100 2.914 -13.681 -1.769 1.00 0.22 H new ATOM 0 HG21 THR A 100 2.813 -13.723 -4.046 1.00 35.51 H new ATOM 0 HG22 THR A 100 3.013 -15.355 -4.728 1.00 35.51 H new ATOM 0 HG23 THR A 100 1.832 -15.073 -3.427 1.00 35.51 H new ATOM 1463 N GLY A 101 5.275 -17.121 -4.365 1.00 63.11 N ATOM 1464 CA GLY A 101 5.609 -17.824 -5.590 1.00 74.40 C ATOM 1465 C GLY A 101 7.105 -17.920 -5.815 1.00 54.20 C ATOM 1466 O GLY A 101 7.890 -17.353 -5.056 1.00 24.13 O ATOM 0 H GLY A 101 5.962 -16.428 -4.068 1.00 63.11 H new ATOM 0 HA2 GLY A 101 5.185 -18.828 -5.556 1.00 74.40 H new ATOM 0 HA3 GLY A 101 5.150 -17.312 -6.436 1.00 74.40 H new ATOM 1470 N TRP A 102 7.499 -18.639 -6.859 1.00 61.32 N ATOM 1471 CA TRP A 102 8.912 -18.808 -7.181 1.00 32.43 C ATOM 1472 C TRP A 102 9.145 -18.698 -8.683 1.00 41.33 C ATOM 1473 O TRP A 102 8.204 -18.770 -9.474 1.00 15.04 O ATOM 1474 CB TRP A 102 9.413 -20.161 -6.672 1.00 62.04 C ATOM 1475 CG TRP A 102 9.060 -21.303 -7.577 1.00 25.25 C ATOM 1476 CD1 TRP A 102 7.932 -21.429 -8.336 1.00 23.33 C ATOM 1477 CD2 TRP A 102 9.840 -22.480 -7.814 1.00 31.51 C ATOM 1478 NE1 TRP A 102 7.963 -22.614 -9.031 1.00 24.22 N ATOM 1479 CE2 TRP A 102 9.124 -23.277 -8.729 1.00 15.13 C ATOM 1480 CE3 TRP A 102 11.074 -22.939 -7.344 1.00 52.55 C ATOM 1481 CZ2 TRP A 102 9.601 -24.504 -9.180 1.00 64.21 C ATOM 1482 CZ3 TRP A 102 11.547 -24.157 -7.793 1.00 75.02 C ATOM 1483 CH2 TRP A 102 10.812 -24.928 -8.704 1.00 22.21 C ATOM 0 H TRP A 102 6.861 -19.114 -7.497 1.00 61.32 H new ATOM 0 HA TRP A 102 9.470 -18.012 -6.687 1.00 32.43 H new ATOM 0 HB2 TRP A 102 10.496 -20.119 -6.557 1.00 62.04 H new ATOM 0 HB3 TRP A 102 8.994 -20.347 -5.683 1.00 62.04 H new ATOM 0 HD1 TRP A 102 7.133 -20.704 -8.383 1.00 23.33 H new ATOM 0 HE1 TRP A 102 7.239 -22.946 -9.668 1.00 24.22 H new ATOM 0 HE3 TRP A 102 11.648 -22.352 -6.642 1.00 52.55 H new ATOM 0 HZ2 TRP A 102 9.036 -25.100 -9.881 1.00 64.21 H new ATOM 0 HZ3 TRP A 102 12.499 -24.521 -7.436 1.00 75.02 H new ATOM 0 HH2 TRP A 102 11.209 -25.876 -9.037 1.00 22.21 H new ATOM 1494 N ILE A 103 10.404 -18.523 -9.071 1.00 11.50 N ATOM 1495 CA ILE A 103 10.759 -18.404 -10.480 1.00 4.55 C ATOM 1496 C ILE A 103 12.103 -19.065 -10.765 1.00 43.01 C ATOM 1497 O ILE A 103 12.904 -19.282 -9.857 1.00 22.35 O ATOM 1498 CB ILE A 103 10.821 -16.930 -10.922 1.00 50.40 C ATOM 1499 CG1 ILE A 103 11.291 -16.046 -9.765 1.00 23.24 C ATOM 1500 CG2 ILE A 103 9.461 -16.471 -11.427 1.00 41.10 C ATOM 1501 CD1 ILE A 103 12.634 -16.454 -9.200 1.00 43.35 C ATOM 0 H ILE A 103 11.195 -18.461 -8.430 1.00 11.50 H new ATOM 0 HA ILE A 103 9.979 -18.912 -11.047 1.00 4.55 H new ATOM 0 HB ILE A 103 11.539 -16.841 -11.737 1.00 50.40 H new ATOM 0 HG12 ILE A 103 11.349 -15.013 -10.108 1.00 23.24 H new ATOM 0 HG13 ILE A 103 10.547 -16.077 -8.969 1.00 23.24 H new ATOM 0 HG21 ILE A 103 9.521 -15.427 -11.736 1.00 41.10 H new ATOM 0 HG22 ILE A 103 9.163 -17.084 -12.277 1.00 41.10 H new ATOM 0 HG23 ILE A 103 8.724 -16.572 -10.630 1.00 41.10 H new ATOM 0 HD11 ILE A 103 12.904 -15.784 -8.384 1.00 43.35 H new ATOM 0 HD12 ILE A 103 12.576 -17.476 -8.826 1.00 43.35 H new ATOM 0 HD13 ILE A 103 13.391 -16.396 -9.982 1.00 43.35 H new ATOM 1513 N GLU A 104 12.344 -19.381 -12.034 1.00 14.12 N ATOM 1514 CA GLU A 104 13.592 -20.017 -12.439 1.00 12.22 C ATOM 1515 C GLU A 104 14.459 -19.051 -13.242 1.00 33.31 C ATOM 1516 O GLU A 104 13.995 -18.431 -14.199 1.00 13.23 O ATOM 1517 CB GLU A 104 13.306 -21.272 -13.266 1.00 52.43 C ATOM 1518 CG GLU A 104 12.225 -21.075 -14.316 1.00 34.33 C ATOM 1519 CD GLU A 104 12.610 -21.650 -15.665 1.00 32.31 C ATOM 1520 OE1 GLU A 104 13.792 -21.529 -16.047 1.00 5.44 O ATOM 1521 OE2 GLU A 104 11.728 -22.222 -16.339 1.00 33.51 O ATOM 0 H GLU A 104 11.692 -19.207 -12.799 1.00 14.12 H new ATOM 0 HA GLU A 104 14.135 -20.301 -11.537 1.00 12.22 H new ATOM 0 HB2 GLU A 104 14.225 -21.590 -13.758 1.00 52.43 H new ATOM 0 HB3 GLU A 104 13.008 -22.078 -12.596 1.00 52.43 H new ATOM 0 HG2 GLU A 104 11.303 -21.545 -13.975 1.00 34.33 H new ATOM 0 HG3 GLU A 104 12.019 -20.010 -14.425 1.00 34.33 H new ATOM 1528 N LYS A 105 15.721 -18.929 -12.845 1.00 51.02 N ATOM 1529 CA LYS A 105 16.655 -18.040 -13.527 1.00 31.45 C ATOM 1530 C LYS A 105 17.058 -18.611 -14.883 1.00 12.14 C ATOM 1531 O LYS A 105 16.928 -19.807 -15.143 1.00 23.31 O ATOM 1532 CB LYS A 105 17.900 -17.818 -12.665 1.00 12.42 C ATOM 1533 CG LYS A 105 18.025 -16.401 -12.132 1.00 1.20 C ATOM 1534 CD LYS A 105 17.511 -16.294 -10.706 1.00 41.21 C ATOM 1535 CE LYS A 105 18.651 -16.327 -9.699 1.00 15.10 C ATOM 1536 NZ LYS A 105 19.371 -15.025 -9.634 1.00 22.31 N ATOM 0 H LYS A 105 16.121 -19.434 -12.054 1.00 51.02 H new ATOM 0 HA LYS A 105 16.157 -17.084 -13.689 1.00 31.45 H new ATOM 0 HB2 LYS A 105 17.879 -18.513 -11.825 1.00 12.42 H new ATOM 0 HB3 LYS A 105 18.786 -18.056 -13.253 1.00 12.42 H new ATOM 0 HG2 LYS A 105 19.069 -16.089 -12.168 1.00 1.20 H new ATOM 0 HG3 LYS A 105 17.466 -15.719 -12.773 1.00 1.20 H new ATOM 0 HD2 LYS A 105 16.948 -15.368 -10.590 1.00 41.21 H new ATOM 0 HD3 LYS A 105 16.822 -17.114 -10.504 1.00 41.21 H new ATOM 0 HE2 LYS A 105 18.258 -16.574 -8.713 1.00 15.10 H new ATOM 0 HE3 LYS A 105 19.352 -17.117 -9.970 1.00 15.10 H new ATOM 0 HZ1 LYS A 105 19.680 -14.848 -8.657 1.00 22.31 H new ATOM 0 HZ2 LYS A 105 20.201 -15.056 -10.260 1.00 22.31 H new ATOM 0 HZ3 LYS A 105 18.735 -14.261 -9.940 1.00 22.31 H new ATOM 1550 N PRO A 106 17.560 -17.737 -15.768 1.00 34.02 N ATOM 1551 CA PRO A 106 17.718 -16.311 -15.469 1.00 52.43 C ATOM 1552 C PRO A 106 16.379 -15.588 -15.367 1.00 1.23 C ATOM 1553 O PRO A 106 15.357 -16.084 -15.842 1.00 23.22 O ATOM 1554 CB PRO A 106 18.519 -15.785 -16.663 1.00 61.10 C ATOM 1555 CG PRO A 106 18.209 -16.730 -17.772 1.00 44.15 C ATOM 1556 CD PRO A 106 18.011 -18.074 -17.128 1.00 74.04 C ATOM 0 HA PRO A 106 18.203 -16.148 -14.507 1.00 52.43 H new ATOM 0 HB2 PRO A 106 18.227 -14.766 -16.918 1.00 61.10 H new ATOM 0 HB3 PRO A 106 19.587 -15.766 -16.446 1.00 61.10 H new ATOM 0 HG2 PRO A 106 17.313 -16.420 -18.310 1.00 44.15 H new ATOM 0 HG3 PRO A 106 19.022 -16.761 -18.497 1.00 44.15 H new ATOM 0 HD2 PRO A 106 17.270 -18.670 -17.661 1.00 74.04 H new ATOM 0 HD3 PRO A 106 18.935 -18.653 -17.113 1.00 74.04 H new ATOM 1564 N ILE A 107 16.392 -14.414 -14.745 1.00 0.33 N ATOM 1565 CA ILE A 107 15.179 -13.623 -14.582 1.00 14.31 C ATOM 1566 C ILE A 107 15.251 -12.332 -15.391 1.00 60.10 C ATOM 1567 O ILE A 107 16.283 -11.661 -15.417 1.00 52.03 O ATOM 1568 CB ILE A 107 14.928 -13.275 -13.103 1.00 13.42 C ATOM 1569 CG1 ILE A 107 14.751 -14.552 -12.279 1.00 3.55 C ATOM 1570 CG2 ILE A 107 13.705 -12.379 -12.969 1.00 44.45 C ATOM 1571 CD1 ILE A 107 13.477 -15.303 -12.594 1.00 63.44 C ATOM 0 H ILE A 107 17.229 -13.990 -14.346 1.00 0.33 H new ATOM 0 HA ILE A 107 14.353 -14.233 -14.949 1.00 14.31 H new ATOM 0 HB ILE A 107 15.794 -12.735 -12.721 1.00 13.42 H new ATOM 0 HG12 ILE A 107 15.603 -15.209 -12.454 1.00 3.55 H new ATOM 0 HG13 ILE A 107 14.759 -14.295 -11.220 1.00 3.55 H new ATOM 0 HG21 ILE A 107 13.541 -12.142 -11.918 1.00 44.45 H new ATOM 0 HG22 ILE A 107 13.866 -11.457 -13.528 1.00 44.45 H new ATOM 0 HG23 ILE A 107 12.831 -12.895 -13.365 1.00 44.45 H new ATOM 0 HD11 ILE A 107 13.418 -16.197 -11.973 1.00 63.44 H new ATOM 0 HD12 ILE A 107 12.618 -14.663 -12.391 1.00 63.44 H new ATOM 0 HD13 ILE A 107 13.475 -15.591 -13.645 1.00 63.44 H new ATOM 1583 N ASP A 108 14.149 -11.990 -16.048 1.00 74.04 N ATOM 1584 CA ASP A 108 14.085 -10.778 -16.856 1.00 43.35 C ATOM 1585 C ASP A 108 13.739 -9.568 -15.995 1.00 11.44 C ATOM 1586 O ASP A 108 13.078 -9.679 -14.962 1.00 23.13 O ATOM 1587 CB ASP A 108 13.052 -10.937 -17.973 1.00 42.20 C ATOM 1588 CG ASP A 108 13.690 -11.007 -19.346 1.00 42.45 C ATOM 1589 OD1 ASP A 108 14.652 -11.785 -19.515 1.00 0.15 O ATOM 1590 OD2 ASP A 108 13.228 -10.282 -20.253 1.00 63.32 O ATOM 0 H ASP A 108 13.287 -12.535 -16.037 1.00 74.04 H new ATOM 0 HA ASP A 108 15.067 -10.616 -17.301 1.00 43.35 H new ATOM 0 HB2 ASP A 108 12.470 -11.842 -17.799 1.00 42.20 H new ATOM 0 HB3 ASP A 108 12.355 -10.099 -17.942 1.00 42.20 H new ATOM 1595 N PRO A 109 14.195 -8.383 -16.427 1.00 4.22 N ATOM 1596 CA PRO A 109 13.946 -7.129 -15.709 1.00 45.02 C ATOM 1597 C PRO A 109 12.484 -6.702 -15.779 1.00 4.41 C ATOM 1598 O PRO A 109 11.948 -6.133 -14.829 1.00 51.31 O ATOM 1599 CB PRO A 109 14.834 -6.119 -16.441 1.00 22.22 C ATOM 1600 CG PRO A 109 14.997 -6.681 -17.811 1.00 53.31 C ATOM 1601 CD PRO A 109 14.989 -8.176 -17.650 1.00 3.34 C ATOM 0 HA PRO A 109 14.166 -7.218 -14.645 1.00 45.02 H new ATOM 0 HB2 PRO A 109 14.371 -5.133 -16.470 1.00 22.22 H new ATOM 0 HB3 PRO A 109 15.797 -6.004 -15.943 1.00 22.22 H new ATOM 0 HG2 PRO A 109 14.188 -6.355 -18.465 1.00 53.31 H new ATOM 0 HG3 PRO A 109 15.929 -6.342 -18.263 1.00 53.31 H new ATOM 0 HD2 PRO A 109 14.538 -8.670 -18.510 1.00 3.34 H new ATOM 0 HD3 PRO A 109 15.998 -8.574 -17.546 1.00 3.34 H new ATOM 1609 N GLY A 110 11.844 -6.980 -16.911 1.00 23.25 N ATOM 1610 CA GLY A 110 10.450 -6.618 -17.083 1.00 13.54 C ATOM 1611 C GLY A 110 9.520 -7.480 -16.253 1.00 34.31 C ATOM 1612 O GLY A 110 8.527 -6.993 -15.712 1.00 30.44 O ATOM 0 H GLY A 110 12.267 -7.450 -17.712 1.00 23.25 H new ATOM 0 HA2 GLY A 110 10.313 -5.572 -16.808 1.00 13.54 H new ATOM 0 HA3 GLY A 110 10.182 -6.709 -18.136 1.00 13.54 H new ATOM 1616 N VAL A 111 9.840 -8.767 -16.153 1.00 53.33 N ATOM 1617 CA VAL A 111 9.025 -9.700 -15.384 1.00 42.13 C ATOM 1618 C VAL A 111 9.161 -9.444 -13.888 1.00 1.34 C ATOM 1619 O VAL A 111 8.165 -9.290 -13.180 1.00 12.22 O ATOM 1620 CB VAL A 111 9.413 -11.160 -15.681 1.00 65.53 C ATOM 1621 CG1 VAL A 111 8.573 -12.116 -14.848 1.00 64.52 C ATOM 1622 CG2 VAL A 111 9.263 -11.460 -17.165 1.00 61.11 C ATOM 0 H VAL A 111 10.658 -9.187 -16.595 1.00 53.33 H new ATOM 0 HA VAL A 111 7.990 -9.539 -15.685 1.00 42.13 H new ATOM 0 HB VAL A 111 10.459 -11.302 -15.409 1.00 65.53 H new ATOM 0 HG11 VAL A 111 8.861 -13.143 -15.072 1.00 64.52 H new ATOM 0 HG12 VAL A 111 8.736 -11.916 -13.789 1.00 64.52 H new ATOM 0 HG13 VAL A 111 7.519 -11.975 -15.086 1.00 64.52 H new ATOM 0 HG21 VAL A 111 9.541 -12.496 -17.357 1.00 61.11 H new ATOM 0 HG22 VAL A 111 8.227 -11.301 -17.465 1.00 61.11 H new ATOM 0 HG23 VAL A 111 9.913 -10.798 -17.738 1.00 61.11 H new ATOM 1632 N LEU A 112 10.400 -9.398 -13.411 1.00 63.50 N ATOM 1633 CA LEU A 112 10.668 -9.160 -11.997 1.00 10.01 C ATOM 1634 C LEU A 112 9.929 -7.920 -11.505 1.00 2.45 C ATOM 1635 O LEU A 112 9.423 -7.890 -10.383 1.00 3.14 O ATOM 1636 CB LEU A 112 12.171 -8.999 -11.762 1.00 71.12 C ATOM 1637 CG LEU A 112 12.608 -8.825 -10.307 1.00 62.53 C ATOM 1638 CD1 LEU A 112 12.789 -10.180 -9.639 1.00 43.41 C ATOM 1639 CD2 LEU A 112 13.893 -8.014 -10.230 1.00 25.41 C ATOM 0 H LEU A 112 11.235 -9.522 -13.983 1.00 63.50 H new ATOM 0 HA LEU A 112 10.309 -10.022 -11.434 1.00 10.01 H new ATOM 0 HB2 LEU A 112 12.678 -9.873 -12.171 1.00 71.12 H new ATOM 0 HB3 LEU A 112 12.517 -8.135 -12.330 1.00 71.12 H new ATOM 0 HG LEU A 112 11.827 -8.282 -9.775 1.00 62.53 H new ATOM 0 HD11 LEU A 112 13.100 -10.037 -8.604 1.00 43.41 H new ATOM 0 HD12 LEU A 112 11.846 -10.726 -9.662 1.00 43.41 H new ATOM 0 HD13 LEU A 112 13.551 -10.749 -10.171 1.00 43.41 H new ATOM 0 HD21 LEU A 112 14.189 -7.900 -9.187 1.00 25.41 H new ATOM 0 HD22 LEU A 112 14.682 -8.530 -10.777 1.00 25.41 H new ATOM 0 HD23 LEU A 112 13.729 -7.030 -10.670 1.00 25.41 H new ATOM 1651 N VAL A 113 9.869 -6.897 -12.352 1.00 62.42 N ATOM 1652 CA VAL A 113 9.189 -5.655 -12.005 1.00 22.21 C ATOM 1653 C VAL A 113 7.675 -5.816 -12.085 1.00 24.50 C ATOM 1654 O VAL A 113 6.931 -5.141 -11.375 1.00 5.11 O ATOM 1655 CB VAL A 113 9.621 -4.502 -12.929 1.00 43.54 C ATOM 1656 CG1 VAL A 113 8.831 -3.241 -12.615 1.00 54.42 C ATOM 1657 CG2 VAL A 113 11.116 -4.249 -12.803 1.00 10.15 C ATOM 0 H VAL A 113 10.284 -6.904 -13.284 1.00 62.42 H new ATOM 0 HA VAL A 113 9.472 -5.415 -10.980 1.00 22.21 H new ATOM 0 HB VAL A 113 9.410 -4.788 -13.959 1.00 43.54 H new ATOM 0 HG11 VAL A 113 9.150 -2.437 -13.278 1.00 54.42 H new ATOM 0 HG12 VAL A 113 7.768 -3.432 -12.762 1.00 54.42 H new ATOM 0 HG13 VAL A 113 9.008 -2.949 -11.580 1.00 54.42 H new ATOM 0 HG21 VAL A 113 11.403 -3.431 -13.463 1.00 10.15 H new ATOM 0 HG22 VAL A 113 11.355 -3.985 -11.773 1.00 10.15 H new ATOM 0 HG23 VAL A 113 11.662 -5.150 -13.083 1.00 10.15 H new ATOM 1667 N GLU A 114 7.227 -6.717 -12.954 1.00 53.43 N ATOM 1668 CA GLU A 114 5.800 -6.966 -13.127 1.00 64.10 C ATOM 1669 C GLU A 114 5.214 -7.648 -11.894 1.00 62.12 C ATOM 1670 O GLU A 114 4.149 -7.267 -11.407 1.00 2.40 O ATOM 1671 CB GLU A 114 5.558 -7.831 -14.366 1.00 14.13 C ATOM 1672 CG GLU A 114 5.407 -7.029 -15.648 1.00 31.33 C ATOM 1673 CD GLU A 114 4.004 -6.483 -15.833 1.00 24.50 C ATOM 1674 OE1 GLU A 114 3.863 -5.251 -15.978 1.00 74.15 O ATOM 1675 OE2 GLU A 114 3.049 -7.288 -15.832 1.00 42.32 O ATOM 0 H GLU A 114 7.830 -7.286 -13.548 1.00 53.43 H new ATOM 0 HA GLU A 114 5.302 -6.005 -13.260 1.00 64.10 H new ATOM 0 HB2 GLU A 114 6.388 -8.529 -14.479 1.00 14.13 H new ATOM 0 HB3 GLU A 114 4.659 -8.427 -14.212 1.00 14.13 H new ATOM 0 HG2 GLU A 114 6.117 -6.202 -15.640 1.00 31.33 H new ATOM 0 HG3 GLU A 114 5.662 -7.660 -16.499 1.00 31.33 H new ATOM 1682 N LEU A 115 5.916 -8.659 -11.395 1.00 23.21 N ATOM 1683 CA LEU A 115 5.466 -9.396 -10.219 1.00 25.10 C ATOM 1684 C LEU A 115 5.224 -8.453 -9.045 1.00 50.21 C ATOM 1685 O LEU A 115 4.271 -8.623 -8.285 1.00 32.01 O ATOM 1686 CB LEU A 115 6.499 -10.456 -9.831 1.00 71.13 C ATOM 1687 CG LEU A 115 6.372 -11.807 -10.537 1.00 15.23 C ATOM 1688 CD1 LEU A 115 5.123 -12.538 -10.069 1.00 14.41 C ATOM 1689 CD2 LEU A 115 6.348 -11.620 -12.047 1.00 0.33 C ATOM 0 H LEU A 115 6.799 -8.987 -11.786 1.00 23.21 H new ATOM 0 HA LEU A 115 4.525 -9.887 -10.467 1.00 25.10 H new ATOM 0 HB2 LEU A 115 7.493 -10.056 -10.031 1.00 71.13 H new ATOM 0 HB3 LEU A 115 6.433 -10.623 -8.756 1.00 71.13 H new ATOM 0 HG LEU A 115 7.241 -12.413 -10.280 1.00 15.23 H new ATOM 0 HD11 LEU A 115 5.049 -13.497 -10.582 1.00 14.41 H new ATOM 0 HD12 LEU A 115 5.181 -12.705 -8.993 1.00 14.41 H new ATOM 0 HD13 LEU A 115 4.243 -11.936 -10.296 1.00 14.41 H new ATOM 0 HD21 LEU A 115 6.257 -12.592 -12.533 1.00 0.33 H new ATOM 0 HD22 LEU A 115 5.498 -10.996 -12.323 1.00 0.33 H new ATOM 0 HD23 LEU A 115 7.271 -11.138 -12.369 1.00 0.33 H new ATOM 1701 N VAL A 116 6.092 -7.456 -8.905 1.00 0.15 N ATOM 1702 CA VAL A 116 5.971 -6.483 -7.825 1.00 55.15 C ATOM 1703 C VAL A 116 5.007 -5.363 -8.201 1.00 41.24 C ATOM 1704 O VAL A 116 4.314 -4.813 -7.346 1.00 3.12 O ATOM 1705 CB VAL A 116 7.337 -5.870 -7.466 1.00 22.55 C ATOM 1706 CG1 VAL A 116 7.920 -5.126 -8.657 1.00 73.34 C ATOM 1707 CG2 VAL A 116 7.207 -4.948 -6.263 1.00 21.44 C ATOM 0 H VAL A 116 6.886 -7.301 -9.526 1.00 0.15 H new ATOM 0 HA VAL A 116 5.583 -7.018 -6.959 1.00 55.15 H new ATOM 0 HB VAL A 116 8.020 -6.678 -7.204 1.00 22.55 H new ATOM 0 HG11 VAL A 116 8.885 -4.700 -8.383 1.00 73.34 H new ATOM 0 HG12 VAL A 116 8.052 -5.818 -9.489 1.00 73.34 H new ATOM 0 HG13 VAL A 116 7.242 -4.326 -8.954 1.00 73.34 H new ATOM 0 HG21 VAL A 116 8.182 -4.523 -6.023 1.00 21.44 H new ATOM 0 HG22 VAL A 116 6.508 -4.144 -6.494 1.00 21.44 H new ATOM 0 HG23 VAL A 116 6.838 -5.515 -5.408 1.00 21.44 H new ATOM 1717 N ALA A 117 4.968 -5.030 -9.487 1.00 44.25 N ATOM 1718 CA ALA A 117 4.088 -3.977 -9.978 1.00 11.33 C ATOM 1719 C ALA A 117 2.625 -4.317 -9.714 1.00 21.04 C ATOM 1720 O ALA A 117 1.881 -3.512 -9.152 1.00 32.50 O ATOM 1721 CB ALA A 117 4.318 -3.746 -11.464 1.00 0.21 C ATOM 0 H ALA A 117 5.536 -5.475 -10.208 1.00 44.25 H new ATOM 0 HA ALA A 117 4.324 -3.060 -9.439 1.00 11.33 H new ATOM 0 HB1 ALA A 117 3.654 -2.957 -11.817 1.00 0.21 H new ATOM 0 HB2 ALA A 117 5.354 -3.450 -11.630 1.00 0.21 H new ATOM 0 HB3 ALA A 117 4.111 -4.666 -12.011 1.00 0.21 H new ATOM 1727 N THR A 118 2.218 -5.515 -10.123 1.00 15.53 N ATOM 1728 CA THR A 118 0.843 -5.960 -9.932 1.00 22.51 C ATOM 1729 C THR A 118 0.399 -5.770 -8.486 1.00 61.51 C ATOM 1730 O THR A 118 -0.772 -5.501 -8.216 1.00 31.32 O ATOM 1731 CB THR A 118 0.675 -7.442 -10.318 1.00 55.04 C ATOM 1732 OG1 THR A 118 -0.708 -7.811 -10.254 1.00 43.34 O ATOM 1733 CG2 THR A 118 1.487 -8.338 -9.395 1.00 52.25 C ATOM 0 H THR A 118 2.821 -6.194 -10.588 1.00 15.53 H new ATOM 0 HA THR A 118 0.219 -5.348 -10.584 1.00 22.51 H new ATOM 0 HB THR A 118 1.039 -7.572 -11.337 1.00 55.04 H new ATOM 0 HG1 THR A 118 -0.807 -8.754 -10.502 1.00 43.34 H new ATOM 0 HG21 THR A 118 1.352 -9.379 -9.688 1.00 52.25 H new ATOM 0 HG22 THR A 118 2.542 -8.074 -9.468 1.00 52.25 H new ATOM 0 HG23 THR A 118 1.149 -8.203 -8.367 1.00 52.25 H new ATOM 1741 N LEU A 119 1.341 -5.911 -7.560 1.00 33.33 N ATOM 1742 CA LEU A 119 1.046 -5.754 -6.140 1.00 24.25 C ATOM 1743 C LEU A 119 1.151 -4.291 -5.720 1.00 60.33 C ATOM 1744 O LEU A 119 0.390 -3.822 -4.875 1.00 13.42 O ATOM 1745 CB LEU A 119 2.003 -6.606 -5.303 1.00 52.10 C ATOM 1746 CG LEU A 119 2.241 -8.032 -5.800 1.00 63.04 C ATOM 1747 CD1 LEU A 119 3.281 -8.731 -4.939 1.00 3.03 C ATOM 1748 CD2 LEU A 119 0.938 -8.818 -5.810 1.00 65.33 C ATOM 0 H LEU A 119 2.315 -6.134 -7.767 1.00 33.33 H new ATOM 0 HA LEU A 119 0.024 -6.090 -5.967 1.00 24.25 H new ATOM 0 HB2 LEU A 119 2.964 -6.095 -5.254 1.00 52.10 H new ATOM 0 HB3 LEU A 119 1.616 -6.657 -4.285 1.00 52.10 H new ATOM 0 HG LEU A 119 2.619 -7.982 -6.821 1.00 63.04 H new ATOM 0 HD11 LEU A 119 3.437 -9.745 -5.308 1.00 3.03 H new ATOM 0 HD12 LEU A 119 4.220 -8.180 -4.984 1.00 3.03 H new ATOM 0 HD13 LEU A 119 2.932 -8.770 -3.907 1.00 3.03 H new ATOM 0 HD21 LEU A 119 1.127 -9.831 -6.167 1.00 65.33 H new ATOM 0 HD22 LEU A 119 0.530 -8.859 -4.800 1.00 65.33 H new ATOM 0 HD23 LEU A 119 0.223 -8.328 -6.471 1.00 65.33 H new ATOM 1760 N SER A 120 2.098 -3.576 -6.319 1.00 53.31 N ATOM 1761 CA SER A 120 2.303 -2.166 -6.007 1.00 20.22 C ATOM 1762 C SER A 120 1.043 -1.356 -6.297 1.00 62.35 C ATOM 1763 O SER A 120 0.650 -0.497 -5.510 1.00 3.34 O ATOM 1764 CB SER A 120 3.478 -1.609 -6.813 1.00 22.52 C ATOM 1765 OG SER A 120 3.032 -1.007 -8.015 1.00 50.22 O ATOM 0 H SER A 120 2.735 -3.949 -7.023 1.00 53.31 H new ATOM 0 HA SER A 120 2.530 -2.084 -4.944 1.00 20.22 H new ATOM 0 HB2 SER A 120 4.019 -0.876 -6.214 1.00 22.52 H new ATOM 0 HB3 SER A 120 4.178 -2.412 -7.043 1.00 22.52 H new ATOM 0 HG SER A 120 2.612 -1.685 -8.584 1.00 50.22 H new