USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 656 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -100:sc= -0.0392 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 81:sc= 1.05 USER MOD Single : A 49 THR OG1 : rot 76:sc= 0.45 USER MOD Single : A 52 LYS NZ :NH3+ -131:sc= -2.58! (180deg=-5.82!) USER MOD Single : A 53 THR OG1 : rot -84:sc= 0.781 USER MOD Single : B 5 SER OG : rot 29:sc= -1.83! USER MOD Single : B 20 THR OG1 : rot 80:sc= -0.99! USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N THR A 3 72.690 15.562 -19.693 1.00 0.00 N ATOM 22 CA THR A 3 73.822 14.735 -19.285 1.00 0.00 C ATOM 23 C THR A 3 74.194 13.751 -20.389 1.00 0.00 C ATOM 24 O THR A 3 73.508 13.666 -21.409 1.00 0.00 O ATOM 25 CB THR A 3 73.470 13.962 -18.011 1.00 0.00 C ATOM 26 OG1 THR A 3 72.693 12.822 -18.351 1.00 0.00 O ATOM 27 CG2 THR A 3 72.669 14.864 -17.070 1.00 0.00 C ATOM 0 HA THR A 3 74.674 15.388 -19.093 1.00 0.00 H new ATOM 0 HB THR A 3 74.386 13.644 -17.514 1.00 0.00 H new ATOM 0 HG1 THR A 3 72.468 12.325 -17.537 1.00 0.00 H new ATOM 0 HG21 THR A 3 72.419 14.313 -16.163 1.00 0.00 H new ATOM 0 HG22 THR A 3 73.265 15.739 -16.810 1.00 0.00 H new ATOM 0 HG23 THR A 3 71.752 15.183 -17.565 1.00 0.00 H new ATOM 35 N VAL A 4 75.285 13.014 -20.177 1.00 0.00 N ATOM 36 CA VAL A 4 75.760 12.032 -21.155 1.00 0.00 C ATOM 37 C VAL A 4 75.545 12.525 -22.580 1.00 0.00 C ATOM 38 O VAL A 4 75.427 11.736 -23.518 1.00 0.00 O ATOM 39 CB VAL A 4 75.059 10.684 -20.940 1.00 0.00 C ATOM 40 CG1 VAL A 4 75.398 10.161 -19.543 1.00 0.00 C ATOM 41 CG2 VAL A 4 73.538 10.846 -21.060 1.00 0.00 C ATOM 0 H VAL A 4 75.858 13.078 -19.336 1.00 0.00 H new ATOM 0 HA VAL A 4 76.831 11.898 -21.006 1.00 0.00 H new ATOM 0 HB VAL A 4 75.401 9.982 -21.700 1.00 0.00 H new ATOM 0 HG11 VAL A 4 74.903 9.203 -19.383 1.00 0.00 H new ATOM 0 HG12 VAL A 4 76.477 10.031 -19.455 1.00 0.00 H new ATOM 0 HG13 VAL A 4 75.056 10.875 -18.794 1.00 0.00 H new ATOM 0 HG21 VAL A 4 73.056 9.881 -20.905 1.00 0.00 H new ATOM 0 HG22 VAL A 4 73.187 11.552 -20.308 1.00 0.00 H new ATOM 0 HG23 VAL A 4 73.289 11.220 -22.053 1.00 0.00 H new ATOM 51 N SER A 5 75.521 13.844 -22.730 1.00 0.00 N ATOM 52 CA SER A 5 75.349 14.461 -24.037 1.00 0.00 C ATOM 53 C SER A 5 76.684 14.508 -24.792 1.00 0.00 C ATOM 54 O SER A 5 76.710 14.353 -26.014 1.00 0.00 O ATOM 55 CB SER A 5 74.780 15.877 -23.880 1.00 0.00 C ATOM 56 OG SER A 5 74.052 16.220 -25.052 1.00 0.00 O ATOM 0 H SER A 5 75.619 14.507 -21.961 1.00 0.00 H new ATOM 0 HA SER A 5 74.648 13.859 -24.615 1.00 0.00 H new ATOM 0 HB2 SER A 5 74.130 15.926 -23.006 1.00 0.00 H new ATOM 0 HB3 SER A 5 75.588 16.591 -23.717 1.00 0.00 H new ATOM 0 HG SER A 5 73.685 17.124 -24.956 1.00 0.00 H new ATOM 62 N PRO A 6 77.790 14.713 -24.104 1.00 0.00 N ATOM 63 CA PRO A 6 79.136 14.769 -24.752 1.00 0.00 C ATOM 64 C PRO A 6 79.385 13.592 -25.682 1.00 0.00 C ATOM 65 O PRO A 6 79.943 13.761 -26.766 1.00 0.00 O ATOM 66 CB PRO A 6 80.099 14.760 -23.562 1.00 0.00 C ATOM 67 CG PRO A 6 79.330 15.407 -22.464 1.00 0.00 C ATOM 68 CD PRO A 6 77.897 14.916 -22.642 1.00 0.00 C ATOM 0 HA PRO A 6 79.251 15.643 -25.393 1.00 0.00 H new ATOM 0 HB2 PRO A 6 80.394 13.745 -23.297 1.00 0.00 H new ATOM 0 HB3 PRO A 6 81.013 15.310 -23.785 1.00 0.00 H new ATOM 0 HG2 PRO A 6 79.725 15.126 -21.487 1.00 0.00 H new ATOM 0 HG3 PRO A 6 79.386 16.494 -22.530 1.00 0.00 H new ATOM 0 HD2 PRO A 6 77.716 13.992 -22.093 1.00 0.00 H new ATOM 0 HD3 PRO A 6 77.173 15.647 -22.283 1.00 0.00 H new ATOM 76 N GLY A 7 78.982 12.402 -25.257 1.00 0.00 N ATOM 77 CA GLY A 7 79.200 11.215 -26.085 1.00 0.00 C ATOM 78 C GLY A 7 80.682 10.867 -26.079 1.00 0.00 C ATOM 79 O GLY A 7 81.065 9.716 -25.863 1.00 0.00 O ATOM 0 H GLY A 7 78.514 12.230 -24.367 1.00 0.00 H new ATOM 0 HA2 GLY A 7 78.616 10.378 -25.703 1.00 0.00 H new ATOM 0 HA3 GLY A 7 78.862 11.401 -27.104 1.00 0.00 H new ATOM 83 N VAL A 8 81.516 11.881 -26.287 1.00 0.00 N ATOM 84 CA VAL A 8 82.951 11.677 -26.268 1.00 0.00 C ATOM 85 C VAL A 8 83.338 11.130 -24.907 1.00 0.00 C ATOM 86 O VAL A 8 84.158 10.212 -24.802 1.00 0.00 O ATOM 87 CB VAL A 8 83.682 12.992 -26.544 1.00 0.00 C ATOM 88 CG1 VAL A 8 85.183 12.813 -26.298 1.00 0.00 C ATOM 89 CG2 VAL A 8 83.451 13.392 -28.002 1.00 0.00 C ATOM 0 H VAL A 8 81.222 12.841 -26.468 1.00 0.00 H new ATOM 0 HA VAL A 8 83.235 10.969 -27.047 1.00 0.00 H new ATOM 0 HB VAL A 8 83.301 13.768 -25.880 1.00 0.00 H new ATOM 0 HG11 VAL A 8 85.699 13.753 -26.496 1.00 0.00 H new ATOM 0 HG12 VAL A 8 85.349 12.519 -25.262 1.00 0.00 H new ATOM 0 HG13 VAL A 8 85.571 12.040 -26.961 1.00 0.00 H new ATOM 0 HG21 VAL A 8 83.968 14.329 -28.209 1.00 0.00 H new ATOM 0 HG22 VAL A 8 83.836 12.612 -28.659 1.00 0.00 H new ATOM 0 HG23 VAL A 8 82.383 13.521 -28.179 1.00 0.00 H new ATOM 99 N LEU A 9 82.718 11.670 -23.858 1.00 0.00 N ATOM 100 CA LEU A 9 83.010 11.171 -22.521 1.00 0.00 C ATOM 101 C LEU A 9 82.780 9.652 -22.526 1.00 0.00 C ATOM 102 O LEU A 9 83.595 8.876 -22.012 1.00 0.00 O ATOM 103 CB LEU A 9 82.119 11.858 -21.469 1.00 0.00 C ATOM 104 CG LEU A 9 82.771 13.167 -20.962 1.00 0.00 C ATOM 105 CD1 LEU A 9 83.934 12.859 -19.997 1.00 0.00 C ATOM 106 CD2 LEU A 9 83.296 14.002 -22.146 1.00 0.00 C ATOM 0 H LEU A 9 82.035 12.426 -23.905 1.00 0.00 H new ATOM 0 HA LEU A 9 84.044 11.394 -22.256 1.00 0.00 H new ATOM 0 HB2 LEU A 9 81.143 12.077 -21.901 1.00 0.00 H new ATOM 0 HB3 LEU A 9 81.952 11.182 -20.631 1.00 0.00 H new ATOM 0 HG LEU A 9 82.009 13.737 -20.430 1.00 0.00 H new ATOM 0 HD11 LEU A 9 84.378 13.793 -19.653 1.00 0.00 H new ATOM 0 HD12 LEU A 9 83.558 12.299 -19.141 1.00 0.00 H new ATOM 0 HD13 LEU A 9 84.689 12.267 -20.514 1.00 0.00 H new ATOM 0 HD21 LEU A 9 83.751 14.919 -21.771 1.00 0.00 H new ATOM 0 HD22 LEU A 9 84.040 13.426 -22.696 1.00 0.00 H new ATOM 0 HD23 LEU A 9 82.468 14.253 -22.810 1.00 0.00 H new ATOM 118 N ALA A 10 81.686 9.230 -23.159 1.00 0.00 N ATOM 119 CA ALA A 10 81.396 7.808 -23.268 1.00 0.00 C ATOM 120 C ALA A 10 82.589 7.129 -23.925 1.00 0.00 C ATOM 121 O ALA A 10 82.982 6.023 -23.549 1.00 0.00 O ATOM 122 CB ALA A 10 80.125 7.581 -24.099 1.00 0.00 C ATOM 0 H ALA A 10 80.998 9.844 -23.596 1.00 0.00 H new ATOM 0 HA ALA A 10 81.225 7.386 -22.278 1.00 0.00 H new ATOM 0 HB1 ALA A 10 79.923 6.512 -24.170 1.00 0.00 H new ATOM 0 HB2 ALA A 10 79.282 8.078 -23.618 1.00 0.00 H new ATOM 0 HB3 ALA A 10 80.266 7.991 -25.099 1.00 0.00 H new ATOM 128 N GLY A 11 83.181 7.828 -24.892 1.00 0.00 N ATOM 129 CA GLY A 11 84.354 7.314 -25.579 1.00 0.00 C ATOM 130 C GLY A 11 85.489 7.136 -24.581 1.00 0.00 C ATOM 131 O GLY A 11 86.362 6.290 -24.759 1.00 0.00 O ATOM 0 H GLY A 11 82.867 8.744 -25.212 1.00 0.00 H new ATOM 0 HA2 GLY A 11 84.121 6.361 -26.055 1.00 0.00 H new ATOM 0 HA3 GLY A 11 84.655 8.001 -26.370 1.00 0.00 H new ATOM 135 N ILE A 12 85.458 7.941 -23.521 1.00 0.00 N ATOM 136 CA ILE A 12 86.483 7.864 -22.480 1.00 0.00 C ATOM 137 C ILE A 12 86.330 6.545 -21.734 1.00 0.00 C ATOM 138 O ILE A 12 87.315 5.898 -21.376 1.00 0.00 O ATOM 139 CB ILE A 12 86.379 9.107 -21.524 1.00 0.00 C ATOM 140 CG1 ILE A 12 87.777 9.730 -21.281 1.00 0.00 C ATOM 141 CG2 ILE A 12 85.752 8.756 -20.145 1.00 0.00 C ATOM 142 CD1 ILE A 12 87.633 11.193 -20.843 1.00 0.00 C ATOM 0 H ILE A 12 84.741 8.649 -23.360 1.00 0.00 H new ATOM 0 HA ILE A 12 87.478 7.890 -22.924 1.00 0.00 H new ATOM 0 HB ILE A 12 85.725 9.819 -22.028 1.00 0.00 H new ATOM 0 HG12 ILE A 12 88.308 9.164 -20.516 1.00 0.00 H new ATOM 0 HG13 ILE A 12 88.373 9.672 -22.192 1.00 0.00 H new ATOM 0 HG21 ILE A 12 85.706 9.653 -19.527 1.00 0.00 H new ATOM 0 HG22 ILE A 12 84.745 8.364 -20.292 1.00 0.00 H new ATOM 0 HG23 ILE A 12 86.365 8.004 -19.648 1.00 0.00 H new ATOM 0 HD11 ILE A 12 88.621 11.621 -20.675 1.00 0.00 H new ATOM 0 HD12 ILE A 12 87.121 11.757 -21.622 1.00 0.00 H new ATOM 0 HD13 ILE A 12 87.055 11.241 -19.920 1.00 0.00 H new ATOM 154 N VAL A 13 85.083 6.148 -21.517 1.00 0.00 N ATOM 155 CA VAL A 13 84.805 4.896 -20.829 1.00 0.00 C ATOM 156 C VAL A 13 85.318 3.717 -21.654 1.00 0.00 C ATOM 157 O VAL A 13 86.052 2.855 -21.153 1.00 0.00 O ATOM 158 CB VAL A 13 83.300 4.756 -20.602 1.00 0.00 C ATOM 159 CG1 VAL A 13 83.006 3.430 -19.899 1.00 0.00 C ATOM 160 CG2 VAL A 13 82.807 5.916 -19.729 1.00 0.00 C ATOM 0 H VAL A 13 84.255 6.670 -21.805 1.00 0.00 H new ATOM 0 HA VAL A 13 85.315 4.899 -19.866 1.00 0.00 H new ATOM 0 HB VAL A 13 82.786 4.777 -21.563 1.00 0.00 H new ATOM 0 HG11 VAL A 13 81.932 3.333 -19.739 1.00 0.00 H new ATOM 0 HG12 VAL A 13 83.356 2.604 -20.518 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.520 3.406 -18.938 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.734 5.818 -19.566 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.323 5.894 -18.769 1.00 0.00 H new ATOM 0 HG23 VAL A 13 83.013 6.862 -20.230 1.00 0.00 H new ATOM 170 N VAL A 14 84.938 3.694 -22.928 1.00 0.00 N ATOM 171 CA VAL A 14 85.370 2.627 -23.823 1.00 0.00 C ATOM 172 C VAL A 14 86.892 2.599 -23.912 1.00 0.00 C ATOM 173 O VAL A 14 87.513 1.540 -23.822 1.00 0.00 O ATOM 174 CB VAL A 14 84.781 2.845 -25.219 1.00 0.00 C ATOM 175 CG1 VAL A 14 85.317 1.776 -26.173 1.00 0.00 C ATOM 176 CG2 VAL A 14 83.256 2.745 -25.149 1.00 0.00 C ATOM 0 H VAL A 14 84.337 4.396 -23.361 1.00 0.00 H new ATOM 0 HA VAL A 14 85.017 1.675 -23.426 1.00 0.00 H new ATOM 0 HB VAL A 14 85.066 3.832 -25.583 1.00 0.00 H new ATOM 0 HG11 VAL A 14 84.897 1.932 -27.167 1.00 0.00 H new ATOM 0 HG12 VAL A 14 86.404 1.845 -26.223 1.00 0.00 H new ATOM 0 HG13 VAL A 14 85.033 0.788 -25.810 1.00 0.00 H new ATOM 0 HG21 VAL A 14 82.835 2.900 -26.142 1.00 0.00 H new ATOM 0 HG22 VAL A 14 82.972 1.758 -24.785 1.00 0.00 H new ATOM 0 HG23 VAL A 14 82.872 3.506 -24.470 1.00 0.00 H new ATOM 186 N GLY A 15 87.484 3.776 -24.087 1.00 0.00 N ATOM 187 CA GLY A 15 88.934 3.890 -24.187 1.00 0.00 C ATOM 188 C GLY A 15 89.608 3.409 -22.910 1.00 0.00 C ATOM 189 O GLY A 15 90.736 2.923 -22.943 1.00 0.00 O ATOM 0 H GLY A 15 86.984 4.662 -24.162 1.00 0.00 H new ATOM 0 HA2 GLY A 15 89.291 3.304 -25.034 1.00 0.00 H new ATOM 0 HA3 GLY A 15 89.208 4.927 -24.379 1.00 0.00 H new ATOM 193 N ASP A 16 88.913 3.547 -21.788 1.00 0.00 N ATOM 194 CA ASP A 16 89.462 3.120 -20.506 1.00 0.00 C ATOM 195 C ASP A 16 89.599 1.602 -20.466 1.00 0.00 C ATOM 196 O ASP A 16 90.675 1.068 -20.171 1.00 0.00 O ATOM 197 CB ASP A 16 88.543 3.580 -19.373 1.00 0.00 C ATOM 198 CG ASP A 16 89.230 3.376 -18.026 1.00 0.00 C ATOM 199 OD1 ASP A 16 90.374 2.956 -18.025 1.00 0.00 O ATOM 200 OD2 ASP A 16 88.600 3.642 -17.016 1.00 0.00 O ATOM 0 H ASP A 16 87.976 3.948 -21.738 1.00 0.00 H new ATOM 0 HA ASP A 16 90.448 3.567 -20.381 1.00 0.00 H new ATOM 0 HB2 ASP A 16 88.289 4.632 -19.505 1.00 0.00 H new ATOM 0 HB3 ASP A 16 87.608 3.020 -19.402 1.00 0.00 H new ATOM 205 N LEU A 17 88.504 0.908 -20.771 1.00 0.00 N ATOM 206 CA LEU A 17 88.520 -0.551 -20.769 1.00 0.00 C ATOM 207 C LEU A 17 89.541 -1.066 -21.778 1.00 0.00 C ATOM 208 O LEU A 17 90.268 -2.021 -21.511 1.00 0.00 O ATOM 209 CB LEU A 17 87.127 -1.094 -21.113 1.00 0.00 C ATOM 210 CG LEU A 17 87.093 -2.625 -20.958 1.00 0.00 C ATOM 211 CD1 LEU A 17 87.255 -3.024 -19.478 1.00 0.00 C ATOM 212 CD2 LEU A 17 85.751 -3.145 -21.489 1.00 0.00 C ATOM 0 H LEU A 17 87.607 1.326 -21.019 1.00 0.00 H new ATOM 0 HA LEU A 17 88.800 -0.897 -19.774 1.00 0.00 H new ATOM 0 HB2 LEU A 17 86.382 -0.640 -20.460 1.00 0.00 H new ATOM 0 HB3 LEU A 17 86.865 -0.820 -22.135 1.00 0.00 H new ATOM 0 HG LEU A 17 87.916 -3.062 -21.523 1.00 0.00 H new ATOM 0 HD11 LEU A 17 87.228 -4.110 -19.389 1.00 0.00 H new ATOM 0 HD12 LEU A 17 88.209 -2.652 -19.103 1.00 0.00 H new ATOM 0 HD13 LEU A 17 86.443 -2.592 -18.894 1.00 0.00 H new ATOM 0 HD21 LEU A 17 85.714 -4.229 -21.385 1.00 0.00 H new ATOM 0 HD22 LEU A 17 84.936 -2.698 -20.919 1.00 0.00 H new ATOM 0 HD23 LEU A 17 85.648 -2.878 -22.541 1.00 0.00 H new ATOM 224 N VAL A 18 89.588 -0.427 -22.940 1.00 0.00 N ATOM 225 CA VAL A 18 90.522 -0.831 -23.983 1.00 0.00 C ATOM 226 C VAL A 18 91.962 -0.512 -23.585 1.00 0.00 C ATOM 227 O VAL A 18 92.892 -1.157 -24.058 1.00 0.00 O ATOM 228 CB VAL A 18 90.177 -0.129 -25.301 1.00 0.00 C ATOM 229 CG1 VAL A 18 91.251 -0.435 -26.349 1.00 0.00 C ATOM 230 CG2 VAL A 18 88.824 -0.636 -25.805 1.00 0.00 C ATOM 0 H VAL A 18 88.995 0.367 -23.183 1.00 0.00 H new ATOM 0 HA VAL A 18 90.435 -1.909 -24.116 1.00 0.00 H new ATOM 0 HB VAL A 18 90.131 0.947 -25.134 1.00 0.00 H new ATOM 0 HG11 VAL A 18 91.001 0.067 -27.284 1.00 0.00 H new ATOM 0 HG12 VAL A 18 92.218 -0.079 -25.994 1.00 0.00 H new ATOM 0 HG13 VAL A 18 91.300 -1.511 -26.516 1.00 0.00 H new ATOM 0 HG21 VAL A 18 88.575 -0.139 -26.743 1.00 0.00 H new ATOM 0 HG22 VAL A 18 88.877 -1.712 -25.968 1.00 0.00 H new ATOM 0 HG23 VAL A 18 88.055 -0.419 -25.064 1.00 0.00 H new ATOM 240 N LEU A 19 92.147 0.489 -22.732 1.00 0.00 N ATOM 241 CA LEU A 19 93.495 0.862 -22.313 1.00 0.00 C ATOM 242 C LEU A 19 94.087 -0.195 -21.384 1.00 0.00 C ATOM 243 O LEU A 19 95.149 -0.751 -21.666 1.00 0.00 O ATOM 244 CB LEU A 19 93.474 2.223 -21.605 1.00 0.00 C ATOM 245 CG LEU A 19 94.909 2.697 -21.314 1.00 0.00 C ATOM 246 CD1 LEU A 19 95.666 2.962 -22.630 1.00 0.00 C ATOM 247 CD2 LEU A 19 94.854 3.986 -20.478 1.00 0.00 C ATOM 0 H LEU A 19 91.398 1.048 -22.323 1.00 0.00 H new ATOM 0 HA LEU A 19 94.120 0.931 -23.204 1.00 0.00 H new ATOM 0 HB2 LEU A 19 92.961 2.956 -22.227 1.00 0.00 H new ATOM 0 HB3 LEU A 19 92.913 2.147 -20.674 1.00 0.00 H new ATOM 0 HG LEU A 19 95.437 1.920 -20.762 1.00 0.00 H new ATOM 0 HD11 LEU A 19 96.679 3.296 -22.406 1.00 0.00 H new ATOM 0 HD12 LEU A 19 95.708 2.044 -23.217 1.00 0.00 H new ATOM 0 HD13 LEU A 19 95.147 3.733 -23.199 1.00 0.00 H new ATOM 0 HD21 LEU A 19 95.868 4.327 -20.268 1.00 0.00 H new ATOM 0 HD22 LEU A 19 94.319 4.757 -21.033 1.00 0.00 H new ATOM 0 HD23 LEU A 19 94.336 3.789 -19.539 1.00 0.00 H new ATOM 259 N THR A 20 93.404 -0.473 -20.275 1.00 0.00 N ATOM 260 CA THR A 20 93.902 -1.467 -19.332 1.00 0.00 C ATOM 261 C THR A 20 93.984 -2.852 -19.981 1.00 0.00 C ATOM 262 O THR A 20 94.935 -3.600 -19.746 1.00 0.00 O ATOM 263 CB THR A 20 92.991 -1.521 -18.101 1.00 0.00 C ATOM 264 OG1 THR A 20 93.605 -2.315 -17.095 1.00 0.00 O ATOM 265 CG2 THR A 20 91.642 -2.132 -18.482 1.00 0.00 C ATOM 0 H THR A 20 92.522 -0.033 -20.012 1.00 0.00 H new ATOM 0 HA THR A 20 94.907 -1.174 -19.028 1.00 0.00 H new ATOM 0 HB THR A 20 92.833 -0.511 -17.724 1.00 0.00 H new ATOM 0 HG1 THR A 20 93.211 -3.212 -17.101 1.00 0.00 H new ATOM 0 HG21 THR A 20 90.998 -2.168 -17.603 1.00 0.00 H new ATOM 0 HG22 THR A 20 91.171 -1.522 -19.253 1.00 0.00 H new ATOM 0 HG23 THR A 20 91.794 -3.142 -18.862 1.00 0.00 H new ATOM 273 N VAL A 21 92.979 -3.193 -20.785 1.00 0.00 N ATOM 274 CA VAL A 21 92.947 -4.498 -21.447 1.00 0.00 C ATOM 275 C VAL A 21 94.029 -4.612 -22.524 1.00 0.00 C ATOM 276 O VAL A 21 94.692 -5.644 -22.638 1.00 0.00 O ATOM 277 CB VAL A 21 91.561 -4.727 -22.071 1.00 0.00 C ATOM 278 CG1 VAL A 21 91.584 -5.970 -22.967 1.00 0.00 C ATOM 279 CG2 VAL A 21 90.529 -4.933 -20.957 1.00 0.00 C ATOM 0 H VAL A 21 92.182 -2.591 -20.993 1.00 0.00 H new ATOM 0 HA VAL A 21 93.145 -5.262 -20.695 1.00 0.00 H new ATOM 0 HB VAL A 21 91.295 -3.856 -22.670 1.00 0.00 H new ATOM 0 HG11 VAL A 21 90.597 -6.122 -23.403 1.00 0.00 H new ATOM 0 HG12 VAL A 21 92.315 -5.831 -23.763 1.00 0.00 H new ATOM 0 HG13 VAL A 21 91.856 -6.842 -22.372 1.00 0.00 H new ATOM 0 HG21 VAL A 21 89.545 -5.096 -21.398 1.00 0.00 H new ATOM 0 HG22 VAL A 21 90.807 -5.801 -20.360 1.00 0.00 H new ATOM 0 HG23 VAL A 21 90.500 -4.049 -20.320 1.00 0.00 H new ATOM 289 N LEU A 22 94.188 -3.565 -23.326 1.00 0.00 N ATOM 290 CA LEU A 22 95.175 -3.583 -24.404 1.00 0.00 C ATOM 291 C LEU A 22 96.588 -3.777 -23.860 1.00 0.00 C ATOM 292 O LEU A 22 97.318 -4.656 -24.320 1.00 0.00 O ATOM 293 CB LEU A 22 95.096 -2.277 -25.206 1.00 0.00 C ATOM 294 CG LEU A 22 96.228 -2.207 -26.245 1.00 0.00 C ATOM 295 CD1 LEU A 22 96.231 -3.474 -27.111 1.00 0.00 C ATOM 296 CD2 LEU A 22 96.009 -0.981 -27.137 1.00 0.00 C ATOM 0 H LEU A 22 93.653 -2.700 -23.253 1.00 0.00 H new ATOM 0 HA LEU A 22 94.947 -4.425 -25.057 1.00 0.00 H new ATOM 0 HB2 LEU A 22 94.131 -2.211 -25.708 1.00 0.00 H new ATOM 0 HB3 LEU A 22 95.163 -1.425 -24.530 1.00 0.00 H new ATOM 0 HG LEU A 22 97.186 -2.130 -25.730 1.00 0.00 H new ATOM 0 HD11 LEU A 22 97.037 -3.413 -27.843 1.00 0.00 H new ATOM 0 HD12 LEU A 22 96.382 -4.348 -26.477 1.00 0.00 H new ATOM 0 HD13 LEU A 22 95.276 -3.563 -27.629 1.00 0.00 H new ATOM 0 HD21 LEU A 22 96.807 -0.923 -27.877 1.00 0.00 H new ATOM 0 HD22 LEU A 22 95.048 -1.067 -27.645 1.00 0.00 H new ATOM 0 HD23 LEU A 22 96.016 -0.079 -26.524 1.00 0.00 H new ATOM 308 N ILE A 23 96.978 -2.960 -22.885 1.00 0.00 N ATOM 309 CA ILE A 23 98.313 -3.077 -22.313 1.00 0.00 C ATOM 310 C ILE A 23 98.474 -4.438 -21.641 1.00 0.00 C ATOM 311 O ILE A 23 99.510 -5.092 -21.782 1.00 0.00 O ATOM 312 CB ILE A 23 98.559 -1.948 -21.305 1.00 0.00 C ATOM 313 CG1 ILE A 23 98.308 -0.601 -21.986 1.00 0.00 C ATOM 314 CG2 ILE A 23 100.011 -1.991 -20.814 1.00 0.00 C ATOM 315 CD1 ILE A 23 98.332 0.514 -20.937 1.00 0.00 C ATOM 0 H ILE A 23 96.400 -2.223 -22.481 1.00 0.00 H new ATOM 0 HA ILE A 23 99.050 -2.992 -23.112 1.00 0.00 H new ATOM 0 HB ILE A 23 97.885 -2.074 -20.458 1.00 0.00 H new ATOM 0 HG12 ILE A 23 99.069 -0.418 -22.745 1.00 0.00 H new ATOM 0 HG13 ILE A 23 97.345 -0.614 -22.497 1.00 0.00 H new ATOM 0 HG21 ILE A 23 100.177 -1.186 -20.098 1.00 0.00 H new ATOM 0 HG22 ILE A 23 100.204 -2.950 -20.333 1.00 0.00 H new ATOM 0 HG23 ILE A 23 100.685 -1.868 -21.661 1.00 0.00 H new ATOM 0 HD11 ILE A 23 98.153 1.474 -21.422 1.00 0.00 H new ATOM 0 HD12 ILE A 23 97.555 0.332 -20.195 1.00 0.00 H new ATOM 0 HD13 ILE A 23 99.305 0.531 -20.446 1.00 0.00 H new ATOM 327 N ALA A 24 97.444 -4.863 -20.916 1.00 0.00 N ATOM 328 CA ALA A 24 97.488 -6.154 -20.240 1.00 0.00 C ATOM 329 C ALA A 24 97.775 -7.267 -21.242 1.00 0.00 C ATOM 330 O ALA A 24 98.586 -8.157 -20.985 1.00 0.00 O ATOM 331 CB ALA A 24 96.153 -6.422 -19.545 1.00 0.00 C ATOM 0 H ALA A 24 96.579 -4.339 -20.783 1.00 0.00 H new ATOM 0 HA ALA A 24 98.285 -6.132 -19.497 1.00 0.00 H new ATOM 0 HB1 ALA A 24 96.192 -7.388 -19.042 1.00 0.00 H new ATOM 0 HB2 ALA A 24 95.961 -5.639 -18.812 1.00 0.00 H new ATOM 0 HB3 ALA A 24 95.353 -6.431 -20.285 1.00 0.00 H new ATOM 337 N LEU A 25 97.107 -7.210 -22.388 1.00 0.00 N ATOM 338 CA LEU A 25 97.302 -8.215 -23.425 1.00 0.00 C ATOM 339 C LEU A 25 98.719 -8.124 -23.981 1.00 0.00 C ATOM 340 O LEU A 25 99.333 -9.137 -24.317 1.00 0.00 O ATOM 341 CB LEU A 25 96.280 -8.003 -24.551 1.00 0.00 C ATOM 342 CG LEU A 25 96.553 -8.959 -25.721 1.00 0.00 C ATOM 343 CD1 LEU A 25 96.594 -10.410 -25.221 1.00 0.00 C ATOM 344 CD2 LEU A 25 95.437 -8.809 -26.759 1.00 0.00 C ATOM 0 H LEU A 25 96.430 -6.484 -22.622 1.00 0.00 H new ATOM 0 HA LEU A 25 97.157 -9.206 -22.994 1.00 0.00 H new ATOM 0 HB2 LEU A 25 95.272 -8.166 -24.169 1.00 0.00 H new ATOM 0 HB3 LEU A 25 96.325 -6.971 -24.900 1.00 0.00 H new ATOM 0 HG LEU A 25 97.516 -8.713 -26.169 1.00 0.00 H new ATOM 0 HD11 LEU A 25 96.788 -11.079 -26.060 1.00 0.00 H new ATOM 0 HD12 LEU A 25 97.386 -10.517 -24.480 1.00 0.00 H new ATOM 0 HD13 LEU A 25 95.636 -10.666 -24.767 1.00 0.00 H new ATOM 0 HD21 LEU A 25 95.623 -9.485 -27.594 1.00 0.00 H new ATOM 0 HD22 LEU A 25 94.479 -9.054 -26.301 1.00 0.00 H new ATOM 0 HD23 LEU A 25 95.414 -7.782 -27.122 1.00 0.00 H new ATOM 356 N ALA A 26 99.230 -6.901 -24.080 1.00 0.00 N ATOM 357 CA ALA A 26 100.573 -6.684 -24.601 1.00 0.00 C ATOM 358 C ALA A 26 101.603 -7.456 -23.782 1.00 0.00 C ATOM 359 O ALA A 26 102.428 -8.182 -24.337 1.00 0.00 O ATOM 360 CB ALA A 26 100.909 -5.192 -24.573 1.00 0.00 C ATOM 0 H ALA A 26 98.737 -6.050 -23.808 1.00 0.00 H new ATOM 0 HA ALA A 26 100.604 -7.045 -25.629 1.00 0.00 H new ATOM 0 HB1 ALA A 26 101.915 -5.038 -24.964 1.00 0.00 H new ATOM 0 HB2 ALA A 26 100.193 -4.646 -25.188 1.00 0.00 H new ATOM 0 HB3 ALA A 26 100.859 -4.827 -23.547 1.00 0.00 H new ATOM 366 N VAL A 27 101.555 -7.295 -22.463 1.00 0.00 N ATOM 367 CA VAL A 27 102.500 -7.989 -21.594 1.00 0.00 C ATOM 368 C VAL A 27 102.217 -9.488 -21.587 1.00 0.00 C ATOM 369 O VAL A 27 103.133 -10.301 -21.459 1.00 0.00 O ATOM 370 CB VAL A 27 102.415 -7.441 -20.168 1.00 0.00 C ATOM 371 CG1 VAL A 27 102.932 -6.002 -20.143 1.00 0.00 C ATOM 372 CG2 VAL A 27 100.963 -7.466 -19.693 1.00 0.00 C ATOM 0 H VAL A 27 100.883 -6.700 -21.978 1.00 0.00 H new ATOM 0 HA VAL A 27 103.505 -7.821 -21.980 1.00 0.00 H new ATOM 0 HB VAL A 27 103.023 -8.060 -19.508 1.00 0.00 H new ATOM 0 HG11 VAL A 27 102.872 -5.611 -19.127 1.00 0.00 H new ATOM 0 HG12 VAL A 27 103.969 -5.982 -20.478 1.00 0.00 H new ATOM 0 HG13 VAL A 27 102.324 -5.386 -20.806 1.00 0.00 H new ATOM 0 HG21 VAL A 27 100.906 -7.075 -18.677 1.00 0.00 H new ATOM 0 HG22 VAL A 27 100.353 -6.850 -20.354 1.00 0.00 H new ATOM 0 HG23 VAL A 27 100.593 -8.491 -19.709 1.00 0.00 H new ATOM 382 N TYR A 28 100.945 -9.848 -21.725 1.00 0.00 N ATOM 383 CA TYR A 28 100.558 -11.253 -21.735 1.00 0.00 C ATOM 384 C TYR A 28 101.202 -11.982 -22.911 1.00 0.00 C ATOM 385 O TYR A 28 101.667 -13.114 -22.772 1.00 0.00 O ATOM 386 CB TYR A 28 99.035 -11.377 -21.827 1.00 0.00 C ATOM 387 CG TYR A 28 98.644 -12.835 -21.765 1.00 0.00 C ATOM 388 CD1 TYR A 28 98.572 -13.487 -20.528 1.00 0.00 C ATOM 389 CD2 TYR A 28 98.354 -13.534 -22.943 1.00 0.00 C ATOM 390 CE1 TYR A 28 98.208 -14.837 -20.469 1.00 0.00 C ATOM 391 CE2 TYR A 28 97.990 -14.886 -22.882 1.00 0.00 C ATOM 392 CZ TYR A 28 97.918 -15.536 -21.645 1.00 0.00 C ATOM 393 OH TYR A 28 97.559 -16.868 -21.587 1.00 0.00 O ATOM 0 H TYR A 28 100.171 -9.192 -21.831 1.00 0.00 H new ATOM 0 HA TYR A 28 100.904 -11.709 -20.808 1.00 0.00 H new ATOM 0 HB2 TYR A 28 98.565 -10.828 -21.011 1.00 0.00 H new ATOM 0 HB3 TYR A 28 98.679 -10.933 -22.757 1.00 0.00 H new ATOM 0 HD1 TYR A 28 98.797 -12.948 -19.620 1.00 0.00 H new ATOM 0 HD2 TYR A 28 98.411 -13.032 -23.898 1.00 0.00 H new ATOM 0 HE1 TYR A 28 98.151 -15.339 -19.515 1.00 0.00 H new ATOM 0 HE2 TYR A 28 97.765 -15.426 -23.790 1.00 0.00 H new ATOM 0 HH TYR A 28 97.390 -17.201 -22.493 1.00 0.00 H new ATOM 403 N PHE A 29 101.225 -11.327 -24.068 1.00 0.00 N ATOM 404 CA PHE A 29 101.814 -11.927 -25.262 1.00 0.00 C ATOM 405 C PHE A 29 103.298 -12.210 -25.046 1.00 0.00 C ATOM 406 O PHE A 29 103.790 -13.285 -25.386 1.00 0.00 O ATOM 407 CB PHE A 29 101.640 -10.988 -26.456 1.00 0.00 C ATOM 408 CG PHE A 29 102.093 -11.685 -27.716 1.00 0.00 C ATOM 409 CD1 PHE A 29 101.198 -12.494 -28.428 1.00 0.00 C ATOM 410 CD2 PHE A 29 103.406 -11.524 -28.173 1.00 0.00 C ATOM 411 CE1 PHE A 29 101.618 -13.141 -29.597 1.00 0.00 C ATOM 412 CE2 PHE A 29 103.825 -12.171 -29.341 1.00 0.00 C ATOM 413 CZ PHE A 29 102.931 -12.980 -30.054 1.00 0.00 C ATOM 0 H PHE A 29 100.847 -10.390 -24.205 1.00 0.00 H new ATOM 0 HA PHE A 29 101.303 -12.869 -25.462 1.00 0.00 H new ATOM 0 HB2 PHE A 29 100.596 -10.690 -26.548 1.00 0.00 H new ATOM 0 HB3 PHE A 29 102.219 -10.077 -26.303 1.00 0.00 H new ATOM 0 HD1 PHE A 29 100.185 -12.619 -28.076 1.00 0.00 H new ATOM 0 HD2 PHE A 29 104.096 -10.900 -27.624 1.00 0.00 H new ATOM 0 HE1 PHE A 29 100.928 -13.765 -30.146 1.00 0.00 H new ATOM 0 HE2 PHE A 29 104.838 -12.046 -29.693 1.00 0.00 H new ATOM 0 HZ PHE A 29 103.255 -13.479 -30.955 1.00 0.00 H new ATOM 423 N LEU A 30 104.006 -11.237 -24.481 1.00 0.00 N ATOM 424 CA LEU A 30 105.434 -11.394 -24.228 1.00 0.00 C ATOM 425 C LEU A 30 105.683 -12.545 -23.257 1.00 0.00 C ATOM 426 O LEU A 30 106.588 -13.355 -23.460 1.00 0.00 O ATOM 427 CB LEU A 30 106.006 -10.096 -23.641 1.00 0.00 C ATOM 428 CG LEU A 30 107.550 -10.145 -23.634 1.00 0.00 C ATOM 429 CD1 LEU A 30 108.105 -9.712 -24.998 1.00 0.00 C ATOM 430 CD2 LEU A 30 108.090 -9.198 -22.556 1.00 0.00 C ATOM 0 H LEU A 30 103.618 -10.339 -24.192 1.00 0.00 H new ATOM 0 HA LEU A 30 105.930 -11.617 -25.173 1.00 0.00 H new ATOM 0 HB2 LEU A 30 105.665 -9.243 -24.227 1.00 0.00 H new ATOM 0 HB3 LEU A 30 105.635 -9.954 -22.626 1.00 0.00 H new ATOM 0 HG LEU A 30 107.864 -11.168 -23.425 1.00 0.00 H new ATOM 0 HD11 LEU A 30 109.194 -9.752 -24.977 1.00 0.00 H new ATOM 0 HD12 LEU A 30 107.732 -10.383 -25.772 1.00 0.00 H new ATOM 0 HD13 LEU A 30 107.783 -8.693 -25.215 1.00 0.00 H new ATOM 0 HD21 LEU A 30 109.179 -9.234 -22.553 1.00 0.00 H new ATOM 0 HD22 LEU A 30 107.761 -8.181 -22.768 1.00 0.00 H new ATOM 0 HD23 LEU A 30 107.714 -9.505 -21.580 1.00 0.00 H new ATOM 523 N GLU A 37 106.628 -12.921 -10.827 1.00 0.00 N ATOM 524 CA GLU A 37 105.450 -12.998 -9.969 1.00 0.00 C ATOM 525 C GLU A 37 104.174 -12.940 -10.804 1.00 0.00 C ATOM 526 O GLU A 37 103.744 -11.865 -11.222 1.00 0.00 O ATOM 527 CB GLU A 37 105.460 -11.846 -8.964 1.00 0.00 C ATOM 528 CG GLU A 37 106.676 -11.980 -8.045 1.00 0.00 C ATOM 529 CD GLU A 37 106.660 -10.874 -6.995 1.00 0.00 C ATOM 530 OE1 GLU A 37 105.694 -10.803 -6.252 1.00 0.00 O ATOM 531 OE2 GLU A 37 107.613 -10.114 -6.949 1.00 0.00 O ATOM 0 HA GLU A 37 105.475 -13.946 -9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 37 105.492 -10.891 -9.489 1.00 0.00 H new ATOM 0 HB3 GLU A 37 104.543 -11.855 -8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 37 106.669 -12.955 -7.558 1.00 0.00 H new ATOM 0 HG3 GLU A 37 107.593 -11.923 -8.631 1.00 0.00 H new ATOM 538 N VAL A 38 103.575 -14.102 -11.038 1.00 0.00 N ATOM 539 CA VAL A 38 102.348 -14.176 -11.823 1.00 0.00 C ATOM 540 C VAL A 38 101.189 -13.530 -11.071 1.00 0.00 C ATOM 541 O VAL A 38 100.249 -13.017 -11.678 1.00 0.00 O ATOM 542 CB VAL A 38 102.008 -15.637 -12.124 1.00 0.00 C ATOM 543 CG1 VAL A 38 100.720 -15.703 -12.945 1.00 0.00 C ATOM 544 CG2 VAL A 38 103.152 -16.272 -12.919 1.00 0.00 C ATOM 0 H VAL A 38 103.916 -15.001 -10.698 1.00 0.00 H new ATOM 0 HA VAL A 38 102.506 -13.638 -12.758 1.00 0.00 H new ATOM 0 HB VAL A 38 101.870 -16.178 -11.188 1.00 0.00 H new ATOM 0 HG11 VAL A 38 100.478 -16.744 -13.159 1.00 0.00 H new ATOM 0 HG12 VAL A 38 99.905 -15.250 -12.381 1.00 0.00 H new ATOM 0 HG13 VAL A 38 100.857 -15.162 -13.881 1.00 0.00 H new ATOM 0 HG21 VAL A 38 102.911 -17.313 -13.134 1.00 0.00 H new ATOM 0 HG22 VAL A 38 103.289 -15.730 -13.855 1.00 0.00 H new ATOM 0 HG23 VAL A 38 104.071 -16.225 -12.335 1.00 0.00 H new ATOM 554 N LEU A 39 101.260 -13.563 -9.745 1.00 0.00 N ATOM 555 CA LEU A 39 100.210 -12.984 -8.915 1.00 0.00 C ATOM 556 C LEU A 39 100.123 -11.474 -9.134 1.00 0.00 C ATOM 557 O LEU A 39 99.048 -10.885 -9.025 1.00 0.00 O ATOM 558 CB LEU A 39 100.491 -13.278 -7.433 1.00 0.00 C ATOM 559 CG LEU A 39 100.105 -14.728 -7.088 1.00 0.00 C ATOM 560 CD1 LEU A 39 98.573 -14.911 -7.110 1.00 0.00 C ATOM 561 CD2 LEU A 39 100.755 -15.684 -8.097 1.00 0.00 C ATOM 0 H LEU A 39 102.030 -13.982 -9.224 1.00 0.00 H new ATOM 0 HA LEU A 39 99.258 -13.434 -9.198 1.00 0.00 H new ATOM 0 HB2 LEU A 39 101.547 -13.116 -7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 39 99.928 -12.587 -6.806 1.00 0.00 H new ATOM 0 HG LEU A 39 100.462 -14.953 -6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 39 98.326 -15.944 -6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 39 98.116 -14.244 -6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 39 98.193 -14.675 -8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 39 100.482 -16.711 -7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 39 100.406 -15.445 -9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 39 101.839 -15.577 -8.054 1.00 0.00 H new ATOM 573 N GLY A 40 101.258 -10.853 -9.437 1.00 0.00 N ATOM 574 CA GLY A 40 101.291 -9.412 -9.661 1.00 0.00 C ATOM 575 C GLY A 40 100.425 -9.021 -10.856 1.00 0.00 C ATOM 576 O GLY A 40 99.591 -8.118 -10.763 1.00 0.00 O ATOM 0 H GLY A 40 102.160 -11.320 -9.533 1.00 0.00 H new ATOM 0 HA2 GLY A 40 100.940 -8.894 -8.769 1.00 0.00 H new ATOM 0 HA3 GLY A 40 102.318 -9.091 -9.832 1.00 0.00 H new ATOM 580 N ILE A 41 100.628 -9.705 -11.977 1.00 0.00 N ATOM 581 CA ILE A 41 99.863 -9.420 -13.188 1.00 0.00 C ATOM 582 C ILE A 41 98.369 -9.581 -12.925 1.00 0.00 C ATOM 583 O ILE A 41 97.557 -8.751 -13.338 1.00 0.00 O ATOM 584 CB ILE A 41 100.291 -10.371 -14.308 1.00 0.00 C ATOM 585 CG1 ILE A 41 101.758 -10.116 -14.662 1.00 0.00 C ATOM 586 CG2 ILE A 41 99.423 -10.131 -15.544 1.00 0.00 C ATOM 587 CD1 ILE A 41 102.276 -11.251 -15.548 1.00 0.00 C ATOM 0 H ILE A 41 101.311 -10.456 -12.073 1.00 0.00 H new ATOM 0 HA ILE A 41 100.059 -8.391 -13.489 1.00 0.00 H new ATOM 0 HB ILE A 41 100.170 -11.401 -13.973 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.857 -9.162 -15.180 1.00 0.00 H new ATOM 0 HG13 ILE A 41 102.356 -10.049 -13.753 1.00 0.00 H new ATOM 0 HG21 ILE A 41 99.729 -10.809 -16.341 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.377 -10.312 -15.295 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.543 -9.101 -15.878 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.321 -11.068 -15.800 1.00 0.00 H new ATOM 0 HD12 ILE A 41 102.191 -12.197 -15.014 1.00 0.00 H new ATOM 0 HD13 ILE A 41 101.685 -11.297 -16.463 1.00 0.00 H new ATOM 599 N ILE A 42 98.012 -10.655 -12.234 1.00 0.00 N ATOM 600 CA ILE A 42 96.615 -10.915 -11.920 1.00 0.00 C ATOM 601 C ILE A 42 96.054 -9.811 -11.028 1.00 0.00 C ATOM 602 O ILE A 42 94.905 -9.405 -11.179 1.00 0.00 O ATOM 603 CB ILE A 42 96.485 -12.268 -11.215 1.00 0.00 C ATOM 604 CG1 ILE A 42 96.881 -13.386 -12.184 1.00 0.00 C ATOM 605 CG2 ILE A 42 95.038 -12.480 -10.764 1.00 0.00 C ATOM 606 CD1 ILE A 42 97.049 -14.696 -11.413 1.00 0.00 C ATOM 0 H ILE A 42 98.665 -11.355 -11.883 1.00 0.00 H new ATOM 0 HA ILE A 42 96.046 -10.936 -12.850 1.00 0.00 H new ATOM 0 HB ILE A 42 97.141 -12.284 -10.345 1.00 0.00 H new ATOM 0 HG12 ILE A 42 96.118 -13.501 -12.954 1.00 0.00 H new ATOM 0 HG13 ILE A 42 97.811 -13.129 -12.692 1.00 0.00 H new ATOM 0 HG21 ILE A 42 94.951 -13.444 -10.263 1.00 0.00 H new ATOM 0 HG22 ILE A 42 94.752 -11.686 -10.075 1.00 0.00 H new ATOM 0 HG23 ILE A 42 94.380 -12.462 -11.633 1.00 0.00 H new ATOM 0 HD11 ILE A 42 97.331 -15.491 -12.103 1.00 0.00 H new ATOM 0 HD12 ILE A 42 97.827 -14.577 -10.659 1.00 0.00 H new ATOM 0 HD13 ILE A 42 96.109 -14.955 -10.926 1.00 0.00 H new ATOM 618 N SER A 43 96.873 -9.341 -10.092 1.00 0.00 N ATOM 619 CA SER A 43 96.451 -8.294 -9.166 1.00 0.00 C ATOM 620 C SER A 43 96.052 -7.014 -9.902 1.00 0.00 C ATOM 621 O SER A 43 94.967 -6.476 -9.676 1.00 0.00 O ATOM 622 CB SER A 43 97.584 -7.982 -8.189 1.00 0.00 C ATOM 623 OG SER A 43 98.023 -9.188 -7.578 1.00 0.00 O ATOM 0 H SER A 43 97.830 -9.667 -9.954 1.00 0.00 H new ATOM 0 HA SER A 43 95.578 -8.661 -8.626 1.00 0.00 H new ATOM 0 HB2 SER A 43 98.411 -7.505 -8.714 1.00 0.00 H new ATOM 0 HB3 SER A 43 97.241 -7.280 -7.429 1.00 0.00 H new ATOM 0 HG SER A 43 98.639 -9.654 -8.180 1.00 0.00 H new ATOM 629 N ILE A 44 96.929 -6.522 -10.773 1.00 0.00 N ATOM 630 CA ILE A 44 96.633 -5.296 -11.509 1.00 0.00 C ATOM 631 C ILE A 44 95.400 -5.482 -12.392 1.00 0.00 C ATOM 632 O ILE A 44 94.537 -4.608 -12.463 1.00 0.00 O ATOM 633 CB ILE A 44 97.838 -4.871 -12.358 1.00 0.00 C ATOM 634 CG1 ILE A 44 98.349 -6.062 -13.173 1.00 0.00 C ATOM 635 CG2 ILE A 44 98.961 -4.372 -11.442 1.00 0.00 C ATOM 636 CD1 ILE A 44 99.578 -5.657 -14.000 1.00 0.00 C ATOM 0 H ILE A 44 97.834 -6.943 -10.984 1.00 0.00 H new ATOM 0 HA ILE A 44 96.424 -4.507 -10.786 1.00 0.00 H new ATOM 0 HB ILE A 44 97.531 -4.073 -13.034 1.00 0.00 H new ATOM 0 HG12 ILE A 44 98.607 -6.884 -12.505 1.00 0.00 H new ATOM 0 HG13 ILE A 44 97.561 -6.423 -13.834 1.00 0.00 H new ATOM 0 HG21 ILE A 44 99.817 -4.070 -12.046 1.00 0.00 H new ATOM 0 HG22 ILE A 44 98.607 -3.519 -10.863 1.00 0.00 H new ATOM 0 HG23 ILE A 44 99.260 -5.171 -10.764 1.00 0.00 H new ATOM 0 HD11 ILE A 44 99.929 -6.515 -14.574 1.00 0.00 H new ATOM 0 HD12 ILE A 44 99.308 -4.850 -14.682 1.00 0.00 H new ATOM 0 HD13 ILE A 44 100.370 -5.318 -13.332 1.00 0.00 H new ATOM 648 N VAL A 45 95.305 -6.626 -13.057 1.00 0.00 N ATOM 649 CA VAL A 45 94.154 -6.889 -13.911 1.00 0.00 C ATOM 650 C VAL A 45 92.869 -6.868 -13.079 1.00 0.00 C ATOM 651 O VAL A 45 91.813 -6.441 -13.554 1.00 0.00 O ATOM 652 CB VAL A 45 94.309 -8.253 -14.597 1.00 0.00 C ATOM 653 CG1 VAL A 45 93.001 -8.642 -15.294 1.00 0.00 C ATOM 654 CG2 VAL A 45 95.426 -8.170 -15.640 1.00 0.00 C ATOM 0 H VAL A 45 95.997 -7.374 -13.024 1.00 0.00 H new ATOM 0 HA VAL A 45 94.096 -6.113 -14.674 1.00 0.00 H new ATOM 0 HB VAL A 45 94.554 -9.004 -13.846 1.00 0.00 H new ATOM 0 HG11 VAL A 45 93.121 -9.611 -15.778 1.00 0.00 H new ATOM 0 HG12 VAL A 45 92.200 -8.701 -14.557 1.00 0.00 H new ATOM 0 HG13 VAL A 45 92.751 -7.891 -16.043 1.00 0.00 H new ATOM 0 HG21 VAL A 45 95.539 -9.137 -16.130 1.00 0.00 H new ATOM 0 HG22 VAL A 45 95.174 -7.414 -16.384 1.00 0.00 H new ATOM 0 HG23 VAL A 45 96.362 -7.899 -15.150 1.00 0.00 H new ATOM 664 N LEU A 46 92.969 -7.344 -11.841 1.00 0.00 N ATOM 665 CA LEU A 46 91.814 -7.396 -10.952 1.00 0.00 C ATOM 666 C LEU A 46 91.374 -5.992 -10.518 1.00 0.00 C ATOM 667 O LEU A 46 90.177 -5.723 -10.417 1.00 0.00 O ATOM 668 CB LEU A 46 92.151 -8.267 -9.711 1.00 0.00 C ATOM 669 CG LEU A 46 91.127 -9.403 -9.536 1.00 0.00 C ATOM 670 CD1 LEU A 46 91.617 -10.368 -8.455 1.00 0.00 C ATOM 671 CD2 LEU A 46 89.772 -8.822 -9.119 1.00 0.00 C ATOM 0 H LEU A 46 93.834 -7.698 -11.433 1.00 0.00 H new ATOM 0 HA LEU A 46 90.983 -7.845 -11.496 1.00 0.00 H new ATOM 0 HB2 LEU A 46 93.151 -8.688 -9.819 1.00 0.00 H new ATOM 0 HB3 LEU A 46 92.163 -7.643 -8.817 1.00 0.00 H new ATOM 0 HG LEU A 46 91.016 -9.934 -10.481 1.00 0.00 H new ATOM 0 HD11 LEU A 46 90.893 -11.173 -8.330 1.00 0.00 H new ATOM 0 HD12 LEU A 46 92.578 -10.788 -8.751 1.00 0.00 H new ATOM 0 HD13 LEU A 46 91.730 -9.832 -7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 46 89.051 -9.631 -8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 46 89.880 -8.287 -8.176 1.00 0.00 H new ATOM 0 HD23 LEU A 46 89.419 -8.135 -9.888 1.00 0.00 H new ATOM 683 N VAL A 47 92.332 -5.101 -10.252 1.00 0.00 N ATOM 684 CA VAL A 47 91.977 -3.755 -9.820 1.00 0.00 C ATOM 685 C VAL A 47 91.324 -3.001 -10.976 1.00 0.00 C ATOM 686 O VAL A 47 90.481 -2.129 -10.770 1.00 0.00 O ATOM 687 CB VAL A 47 93.229 -3.009 -9.284 1.00 0.00 C ATOM 688 CG1 VAL A 47 93.906 -2.179 -10.387 1.00 0.00 C ATOM 689 CG2 VAL A 47 92.829 -2.074 -8.131 1.00 0.00 C ATOM 0 H VAL A 47 93.333 -5.283 -10.326 1.00 0.00 H new ATOM 0 HA VAL A 47 91.259 -3.814 -9.002 1.00 0.00 H new ATOM 0 HB VAL A 47 93.935 -3.761 -8.932 1.00 0.00 H new ATOM 0 HG11 VAL A 47 94.778 -1.671 -9.976 1.00 0.00 H new ATOM 0 HG12 VAL A 47 94.218 -2.837 -11.198 1.00 0.00 H new ATOM 0 HG13 VAL A 47 93.202 -1.440 -10.770 1.00 0.00 H new ATOM 0 HG21 VAL A 47 93.713 -1.554 -7.761 1.00 0.00 H new ATOM 0 HG22 VAL A 47 92.103 -1.344 -8.489 1.00 0.00 H new ATOM 0 HG23 VAL A 47 92.387 -2.659 -7.324 1.00 0.00 H new ATOM 699 N ALA A 48 91.732 -3.346 -12.193 1.00 0.00 N ATOM 700 CA ALA A 48 91.197 -2.698 -13.383 1.00 0.00 C ATOM 701 C ALA A 48 89.743 -3.083 -13.638 1.00 0.00 C ATOM 702 O ALA A 48 88.890 -2.217 -13.834 1.00 0.00 O ATOM 703 CB ALA A 48 92.044 -3.083 -14.598 1.00 0.00 C ATOM 0 H ALA A 48 92.428 -4.068 -12.380 1.00 0.00 H new ATOM 0 HA ALA A 48 91.234 -1.621 -13.219 1.00 0.00 H new ATOM 0 HB1 ALA A 48 91.644 -2.598 -15.489 1.00 0.00 H new ATOM 0 HB2 ALA A 48 93.073 -2.761 -14.441 1.00 0.00 H new ATOM 0 HB3 ALA A 48 92.019 -4.165 -14.731 1.00 0.00 H new ATOM 709 N THR A 49 89.469 -4.381 -13.666 1.00 0.00 N ATOM 710 CA THR A 49 88.113 -4.849 -13.936 1.00 0.00 C ATOM 711 C THR A 49 87.135 -4.419 -12.841 1.00 0.00 C ATOM 712 O THR A 49 86.026 -3.972 -13.135 1.00 0.00 O ATOM 713 CB THR A 49 88.102 -6.377 -14.072 1.00 0.00 C ATOM 714 OG1 THR A 49 89.269 -6.794 -14.769 1.00 0.00 O ATOM 715 CG2 THR A 49 86.859 -6.820 -14.849 1.00 0.00 C ATOM 0 H THR A 49 90.155 -5.119 -13.508 1.00 0.00 H new ATOM 0 HA THR A 49 87.787 -4.395 -14.872 1.00 0.00 H new ATOM 0 HB THR A 49 88.084 -6.828 -13.080 1.00 0.00 H new ATOM 0 HG1 THR A 49 90.041 -6.754 -14.167 1.00 0.00 H new ATOM 0 HG21 THR A 49 86.856 -7.906 -14.943 1.00 0.00 H new ATOM 0 HG22 THR A 49 85.964 -6.499 -14.316 1.00 0.00 H new ATOM 0 HG23 THR A 49 86.871 -6.370 -15.842 1.00 0.00 H new ATOM 723 N VAL A 50 87.537 -4.569 -11.582 1.00 0.00 N ATOM 724 CA VAL A 50 86.661 -4.203 -10.469 1.00 0.00 C ATOM 725 C VAL A 50 86.446 -2.692 -10.397 1.00 0.00 C ATOM 726 O VAL A 50 85.339 -2.235 -10.124 1.00 0.00 O ATOM 727 CB VAL A 50 87.253 -4.687 -9.142 1.00 0.00 C ATOM 728 CG1 VAL A 50 87.528 -6.196 -9.213 1.00 0.00 C ATOM 729 CG2 VAL A 50 88.554 -3.924 -8.855 1.00 0.00 C ATOM 0 H VAL A 50 88.449 -4.935 -11.308 1.00 0.00 H new ATOM 0 HA VAL A 50 85.699 -4.685 -10.643 1.00 0.00 H new ATOM 0 HB VAL A 50 86.543 -4.499 -8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 50 87.949 -6.534 -8.266 1.00 0.00 H new ATOM 0 HG12 VAL A 50 86.596 -6.727 -9.406 1.00 0.00 H new ATOM 0 HG13 VAL A 50 88.235 -6.400 -10.018 1.00 0.00 H new ATOM 0 HG21 VAL A 50 88.976 -4.267 -7.911 1.00 0.00 H new ATOM 0 HG22 VAL A 50 89.267 -4.106 -9.659 1.00 0.00 H new ATOM 0 HG23 VAL A 50 88.343 -2.856 -8.791 1.00 0.00 H new ATOM 739 N LEU A 51 87.501 -1.916 -10.631 1.00 0.00 N ATOM 740 CA LEU A 51 87.380 -0.462 -10.571 1.00 0.00 C ATOM 741 C LEU A 51 86.424 0.035 -11.639 1.00 0.00 C ATOM 742 O LEU A 51 85.566 0.868 -11.366 1.00 0.00 O ATOM 743 CB LEU A 51 88.761 0.187 -10.755 1.00 0.00 C ATOM 744 CG LEU A 51 88.667 1.720 -10.650 1.00 0.00 C ATOM 745 CD1 LEU A 51 88.292 2.137 -9.219 1.00 0.00 C ATOM 746 CD2 LEU A 51 90.026 2.324 -11.018 1.00 0.00 C ATOM 0 H LEU A 51 88.433 -2.261 -10.860 1.00 0.00 H new ATOM 0 HA LEU A 51 86.983 -0.184 -9.594 1.00 0.00 H new ATOM 0 HB2 LEU A 51 89.449 -0.192 -9.999 1.00 0.00 H new ATOM 0 HB3 LEU A 51 89.171 -0.090 -11.726 1.00 0.00 H new ATOM 0 HG LEU A 51 87.897 2.081 -11.331 1.00 0.00 H new ATOM 0 HD11 LEU A 51 88.230 3.224 -9.161 1.00 0.00 H new ATOM 0 HD12 LEU A 51 87.327 1.704 -8.955 1.00 0.00 H new ATOM 0 HD13 LEU A 51 89.053 1.780 -8.525 1.00 0.00 H new ATOM 0 HD21 LEU A 51 89.972 3.410 -10.947 1.00 0.00 H new ATOM 0 HD22 LEU A 51 90.787 1.953 -10.332 1.00 0.00 H new ATOM 0 HD23 LEU A 51 90.287 2.039 -12.037 1.00 0.00 H new ATOM 758 N LYS A 52 86.576 -0.469 -12.850 1.00 0.00 N ATOM 759 CA LYS A 52 85.715 -0.048 -13.942 1.00 0.00 C ATOM 760 C LYS A 52 84.258 -0.403 -13.650 1.00 0.00 C ATOM 761 O LYS A 52 83.378 0.433 -13.780 1.00 0.00 O ATOM 762 CB LYS A 52 86.182 -0.715 -15.255 1.00 0.00 C ATOM 763 CG LYS A 52 85.953 0.233 -16.448 1.00 0.00 C ATOM 764 CD LYS A 52 87.128 1.227 -16.560 1.00 0.00 C ATOM 765 CE LYS A 52 88.306 0.583 -17.316 1.00 0.00 C ATOM 766 NZ LYS A 52 89.589 1.067 -16.731 1.00 0.00 N ATOM 0 H LYS A 52 87.280 -1.163 -13.102 1.00 0.00 H new ATOM 0 HA LYS A 52 85.782 1.035 -14.047 1.00 0.00 H new ATOM 0 HB2 LYS A 52 87.239 -0.972 -15.184 1.00 0.00 H new ATOM 0 HB3 LYS A 52 85.637 -1.646 -15.412 1.00 0.00 H new ATOM 0 HG2 LYS A 52 85.863 -0.343 -17.369 1.00 0.00 H new ATOM 0 HG3 LYS A 52 85.017 0.776 -16.318 1.00 0.00 H new ATOM 0 HD2 LYS A 52 86.802 2.128 -17.080 1.00 0.00 H new ATOM 0 HD3 LYS A 52 87.450 1.533 -15.565 1.00 0.00 H new ATOM 0 HE2 LYS A 52 88.248 -0.503 -17.246 1.00 0.00 H new ATOM 0 HE3 LYS A 52 88.257 0.838 -18.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 90.219 1.388 -17.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 89.399 1.858 -16.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 90.046 0.293 -16.208 1.00 0.00 H new ATOM 780 N THR A 53 84.012 -1.646 -13.271 1.00 0.00 N ATOM 781 CA THR A 53 82.650 -2.090 -12.991 1.00 0.00 C ATOM 782 C THR A 53 82.014 -1.336 -11.818 1.00 0.00 C ATOM 783 O THR A 53 80.863 -0.905 -11.902 1.00 0.00 O ATOM 784 CB THR A 53 82.653 -3.588 -12.678 1.00 0.00 C ATOM 785 OG1 THR A 53 83.638 -3.862 -11.692 1.00 0.00 O ATOM 786 CG2 THR A 53 82.969 -4.376 -13.950 1.00 0.00 C ATOM 0 H THR A 53 84.728 -2.362 -13.150 1.00 0.00 H new ATOM 0 HA THR A 53 82.055 -1.881 -13.880 1.00 0.00 H new ATOM 0 HB THR A 53 81.673 -3.883 -12.305 1.00 0.00 H new ATOM 0 HG1 THR A 53 84.512 -3.967 -12.123 1.00 0.00 H new ATOM 0 HG21 THR A 53 82.971 -5.443 -13.726 1.00 0.00 H new ATOM 0 HG22 THR A 53 82.213 -4.165 -14.706 1.00 0.00 H new ATOM 0 HG23 THR A 53 83.949 -4.082 -14.326 1.00 0.00 H new ATOM 794 N ILE A 54 82.743 -1.213 -10.715 1.00 0.00 N ATOM 795 CA ILE A 54 82.202 -0.557 -9.526 1.00 0.00 C ATOM 796 C ILE A 54 81.888 0.920 -9.747 1.00 0.00 C ATOM 797 O ILE A 54 80.833 1.389 -9.333 1.00 0.00 O ATOM 798 CB ILE A 54 83.181 -0.713 -8.357 1.00 0.00 C ATOM 799 CG1 ILE A 54 83.299 -2.193 -7.989 1.00 0.00 C ATOM 800 CG2 ILE A 54 82.674 0.071 -7.143 1.00 0.00 C ATOM 801 CD1 ILE A 54 84.516 -2.398 -7.086 1.00 0.00 C ATOM 0 H ILE A 54 83.699 -1.554 -10.617 1.00 0.00 H new ATOM 0 HA ILE A 54 81.257 -1.048 -9.296 1.00 0.00 H new ATOM 0 HB ILE A 54 84.156 -0.326 -8.653 1.00 0.00 H new ATOM 0 HG12 ILE A 54 82.395 -2.525 -7.479 1.00 0.00 H new ATOM 0 HG13 ILE A 54 83.396 -2.797 -8.891 1.00 0.00 H new ATOM 0 HG21 ILE A 54 83.375 -0.045 -6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 54 82.589 1.127 -7.401 1.00 0.00 H new ATOM 0 HG23 ILE A 54 81.697 -0.310 -6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 54 84.601 -3.452 -6.823 1.00 0.00 H new ATOM 0 HD12 ILE A 54 85.417 -2.082 -7.612 1.00 0.00 H new ATOM 0 HD13 ILE A 54 84.399 -1.806 -6.178 1.00 0.00 H new ATOM 813 N VAL A 55 82.801 1.658 -10.363 1.00 0.00 N ATOM 814 CA VAL A 55 82.570 3.085 -10.586 1.00 0.00 C ATOM 815 C VAL A 55 81.592 3.312 -11.739 1.00 0.00 C ATOM 816 O VAL A 55 80.813 4.261 -11.721 1.00 0.00 O ATOM 817 CB VAL A 55 83.896 3.798 -10.878 1.00 0.00 C ATOM 818 CG1 VAL A 55 84.917 3.450 -9.788 1.00 0.00 C ATOM 819 CG2 VAL A 55 84.428 3.368 -12.256 1.00 0.00 C ATOM 0 H VAL A 55 83.692 1.305 -10.712 1.00 0.00 H new ATOM 0 HA VAL A 55 82.131 3.500 -9.679 1.00 0.00 H new ATOM 0 HB VAL A 55 83.733 4.876 -10.884 1.00 0.00 H new ATOM 0 HG11 VAL A 55 85.859 3.957 -9.997 1.00 0.00 H new ATOM 0 HG12 VAL A 55 84.538 3.773 -8.818 1.00 0.00 H new ATOM 0 HG13 VAL A 55 85.081 2.372 -9.773 1.00 0.00 H new ATOM 0 HG21 VAL A 55 85.370 3.878 -12.458 1.00 0.00 H new ATOM 0 HG22 VAL A 55 84.590 2.290 -12.263 1.00 0.00 H new ATOM 0 HG23 VAL A 55 83.701 3.631 -13.025 1.00 0.00 H new ATOM 829 N LEU A 56 81.652 2.449 -12.747 1.00 0.00 N ATOM 830 CA LEU A 56 80.789 2.571 -13.919 1.00 0.00 C ATOM 831 C LEU A 56 79.307 2.302 -13.621 1.00 0.00 C ATOM 832 O LEU A 56 78.441 2.915 -14.243 1.00 0.00 O ATOM 833 CB LEU A 56 81.280 1.609 -15.011 1.00 0.00 C ATOM 834 CG LEU A 56 80.439 1.761 -16.308 1.00 0.00 C ATOM 835 CD1 LEU A 56 81.359 1.657 -17.532 1.00 0.00 C ATOM 836 CD2 LEU A 56 79.378 0.651 -16.395 1.00 0.00 C ATOM 0 H LEU A 56 82.291 1.654 -12.777 1.00 0.00 H new ATOM 0 HA LEU A 56 80.853 3.607 -14.253 1.00 0.00 H new ATOM 0 HB2 LEU A 56 82.330 1.806 -15.229 1.00 0.00 H new ATOM 0 HB3 LEU A 56 81.217 0.582 -14.651 1.00 0.00 H new ATOM 0 HG LEU A 56 79.945 2.733 -16.287 1.00 0.00 H new ATOM 0 HD11 LEU A 56 80.768 1.764 -18.442 1.00 0.00 H new ATOM 0 HD12 LEU A 56 82.109 2.447 -17.492 1.00 0.00 H new ATOM 0 HD13 LEU A 56 81.855 0.686 -17.533 1.00 0.00 H new ATOM 0 HD21 LEU A 56 78.798 0.773 -17.310 1.00 0.00 H new ATOM 0 HD22 LEU A 56 79.869 -0.322 -16.404 1.00 0.00 H new ATOM 0 HD23 LEU A 56 78.714 0.714 -15.533 1.00 0.00 H new ATOM 848 N ILE A 57 78.993 1.372 -12.713 1.00 0.00 N ATOM 849 CA ILE A 57 77.580 1.070 -12.447 1.00 0.00 C ATOM 850 C ILE A 57 76.838 2.268 -11.818 1.00 0.00 C ATOM 851 O ILE A 57 75.788 2.666 -12.324 1.00 0.00 O ATOM 852 CB ILE A 57 77.445 -0.220 -11.575 1.00 0.00 C ATOM 853 CG1 ILE A 57 77.276 -1.471 -12.468 1.00 0.00 C ATOM 854 CG2 ILE A 57 76.216 -0.141 -10.649 1.00 0.00 C ATOM 855 CD1 ILE A 57 78.580 -1.793 -13.208 1.00 0.00 C ATOM 0 H ILE A 57 79.667 0.833 -12.168 1.00 0.00 H new ATOM 0 HA ILE A 57 77.098 0.879 -13.406 1.00 0.00 H new ATOM 0 HB ILE A 57 78.356 -0.295 -10.982 1.00 0.00 H new ATOM 0 HG12 ILE A 57 76.980 -2.323 -11.856 1.00 0.00 H new ATOM 0 HG13 ILE A 57 76.476 -1.303 -13.189 1.00 0.00 H new ATOM 0 HG21 ILE A 57 76.149 -1.053 -10.055 1.00 0.00 H new ATOM 0 HG22 ILE A 57 76.315 0.718 -9.985 1.00 0.00 H new ATOM 0 HG23 ILE A 57 75.314 -0.032 -11.251 1.00 0.00 H new ATOM 0 HD11 ILE A 57 78.437 -2.677 -13.830 1.00 0.00 H new ATOM 0 HD12 ILE A 57 78.859 -0.948 -13.837 1.00 0.00 H new ATOM 0 HD13 ILE A 57 79.372 -1.983 -12.484 1.00 0.00 H new ATOM 867 N PRO A 58 77.326 2.845 -10.746 1.00 0.00 N ATOM 868 CA PRO A 58 76.638 4.001 -10.098 1.00 0.00 C ATOM 869 C PRO A 58 76.759 5.268 -10.942 1.00 0.00 C ATOM 870 O PRO A 58 75.886 6.135 -10.913 1.00 0.00 O ATOM 871 CB PRO A 58 77.356 4.144 -8.748 1.00 0.00 C ATOM 872 CG PRO A 58 78.723 3.578 -8.976 1.00 0.00 C ATOM 873 CD PRO A 58 78.567 2.487 -10.043 1.00 0.00 C ATOM 0 HA PRO A 58 75.566 3.843 -9.984 1.00 0.00 H new ATOM 0 HB2 PRO A 58 77.407 5.187 -8.437 1.00 0.00 H new ATOM 0 HB3 PRO A 58 76.830 3.602 -7.962 1.00 0.00 H new ATOM 0 HG2 PRO A 58 79.413 4.352 -9.310 1.00 0.00 H new ATOM 0 HG3 PRO A 58 79.131 3.164 -8.054 1.00 0.00 H new ATOM 0 HD2 PRO A 58 79.419 2.470 -10.723 1.00 0.00 H new ATOM 0 HD3 PRO A 58 78.498 1.497 -9.593 1.00 0.00 H new ATOM 881 N PHE A 59 77.850 5.361 -11.690 1.00 0.00 N ATOM 882 CA PHE A 59 78.098 6.503 -12.538 1.00 0.00 C ATOM 883 C PHE A 59 77.035 6.588 -13.635 1.00 0.00 C ATOM 884 O PHE A 59 76.455 7.648 -13.867 1.00 0.00 O ATOM 885 CB PHE A 59 79.493 6.368 -13.161 1.00 0.00 C ATOM 886 CG PHE A 59 80.588 6.793 -12.188 1.00 0.00 C ATOM 887 CD1 PHE A 59 80.392 6.764 -10.789 1.00 0.00 C ATOM 888 CD2 PHE A 59 81.823 7.212 -12.700 1.00 0.00 C ATOM 889 CE1 PHE A 59 81.428 7.152 -9.930 1.00 0.00 C ATOM 890 CE2 PHE A 59 82.853 7.600 -11.834 1.00 0.00 C ATOM 891 CZ PHE A 59 82.655 7.569 -10.451 1.00 0.00 C ATOM 0 H PHE A 59 78.579 4.649 -11.721 1.00 0.00 H new ATOM 0 HA PHE A 59 78.050 7.416 -11.944 1.00 0.00 H new ATOM 0 HB2 PHE A 59 79.657 5.334 -13.465 1.00 0.00 H new ATOM 0 HB3 PHE A 59 79.550 6.978 -14.062 1.00 0.00 H new ATOM 0 HD1 PHE A 59 79.444 6.443 -10.382 1.00 0.00 H new ATOM 0 HD2 PHE A 59 81.982 7.236 -13.768 1.00 0.00 H new ATOM 0 HE1 PHE A 59 81.278 7.129 -8.861 1.00 0.00 H new ATOM 0 HE2 PHE A 59 83.802 7.924 -12.236 1.00 0.00 H new ATOM 0 HZ PHE A 59 83.451 7.868 -9.785 1.00 0.00 H new ATOM 901 N LEU A 60 76.786 5.463 -14.307 1.00 0.00 N ATOM 902 CA LEU A 60 75.789 5.429 -15.377 1.00 0.00 C ATOM 903 C LEU A 60 74.391 5.215 -14.797 1.00 0.00 C ATOM 904 O LEU A 60 73.505 4.691 -15.471 1.00 0.00 O ATOM 905 CB LEU A 60 76.127 4.301 -16.367 1.00 0.00 C ATOM 906 CG LEU A 60 77.232 4.750 -17.344 1.00 0.00 C ATOM 907 CD1 LEU A 60 76.687 5.779 -18.357 1.00 0.00 C ATOM 908 CD2 LEU A 60 78.397 5.366 -16.557 1.00 0.00 C ATOM 0 H LEU A 60 77.254 4.574 -14.132 1.00 0.00 H new ATOM 0 HA LEU A 60 75.804 6.384 -15.902 1.00 0.00 H new ATOM 0 HB2 LEU A 60 76.454 3.416 -15.821 1.00 0.00 H new ATOM 0 HB3 LEU A 60 75.234 4.019 -16.924 1.00 0.00 H new ATOM 0 HG LEU A 60 77.581 3.877 -17.895 1.00 0.00 H new ATOM 0 HD11 LEU A 60 77.486 6.080 -19.035 1.00 0.00 H new ATOM 0 HD12 LEU A 60 75.875 5.331 -18.929 1.00 0.00 H new ATOM 0 HD13 LEU A 60 76.315 6.654 -17.823 1.00 0.00 H new ATOM 0 HD21 LEU A 60 79.177 5.683 -17.250 1.00 0.00 H new ATOM 0 HD22 LEU A 60 78.040 6.228 -15.994 1.00 0.00 H new ATOM 0 HD23 LEU A 60 78.803 4.625 -15.868 1.00 0.00 H new ATOM 1000 N VAL B 4 76.035 15.622 -14.274 1.00 0.00 N ATOM 1001 CA VAL B 4 76.814 14.574 -13.622 1.00 0.00 C ATOM 1002 C VAL B 4 77.861 14.017 -14.581 1.00 0.00 C ATOM 1003 O VAL B 4 79.012 13.800 -14.202 1.00 0.00 O ATOM 1004 CB VAL B 4 75.892 13.445 -13.158 1.00 0.00 C ATOM 1005 CG1 VAL B 4 74.850 14.003 -12.187 1.00 0.00 C ATOM 1006 CG2 VAL B 4 75.183 12.830 -14.370 1.00 0.00 C ATOM 0 HA VAL B 4 77.318 15.005 -12.757 1.00 0.00 H new ATOM 0 HB VAL B 4 76.483 12.679 -12.656 1.00 0.00 H new ATOM 0 HG11 VAL B 4 74.193 13.198 -11.856 1.00 0.00 H new ATOM 0 HG12 VAL B 4 75.353 14.438 -11.324 1.00 0.00 H new ATOM 0 HG13 VAL B 4 74.260 14.770 -12.688 1.00 0.00 H new ATOM 0 HG21 VAL B 4 74.526 12.026 -14.038 1.00 0.00 H new ATOM 0 HG22 VAL B 4 74.593 13.596 -14.874 1.00 0.00 H new ATOM 0 HG23 VAL B 4 75.925 12.431 -15.062 1.00 0.00 H new ATOM 1016 N SER B 5 77.452 13.787 -15.826 1.00 0.00 N ATOM 1017 CA SER B 5 78.354 13.253 -16.842 1.00 0.00 C ATOM 1018 C SER B 5 79.763 13.848 -16.715 1.00 0.00 C ATOM 1019 O SER B 5 80.719 13.123 -16.438 1.00 0.00 O ATOM 1020 CB SER B 5 77.771 13.521 -18.239 1.00 0.00 C ATOM 1021 OG SER B 5 77.111 12.349 -18.695 1.00 0.00 O ATOM 0 H SER B 5 76.503 13.962 -16.155 1.00 0.00 H new ATOM 0 HA SER B 5 78.446 12.177 -16.691 1.00 0.00 H new ATOM 0 HB2 SER B 5 77.072 14.357 -18.202 1.00 0.00 H new ATOM 0 HB3 SER B 5 78.565 13.800 -18.932 1.00 0.00 H new ATOM 0 HG SER B 5 76.774 11.843 -17.926 1.00 0.00 H new ATOM 1027 N PRO B 6 79.917 15.136 -16.914 1.00 0.00 N ATOM 1028 CA PRO B 6 81.253 15.807 -16.820 1.00 0.00 C ATOM 1029 C PRO B 6 81.892 15.638 -15.439 1.00 0.00 C ATOM 1030 O PRO B 6 82.938 16.223 -15.156 1.00 0.00 O ATOM 1031 CB PRO B 6 80.947 17.289 -17.131 1.00 0.00 C ATOM 1032 CG PRO B 6 79.478 17.444 -16.896 1.00 0.00 C ATOM 1033 CD PRO B 6 78.853 16.098 -17.250 1.00 0.00 C ATOM 0 HA PRO B 6 81.979 15.374 -17.508 1.00 0.00 H new ATOM 0 HB2 PRO B 6 81.521 17.953 -16.485 1.00 0.00 H new ATOM 0 HB3 PRO B 6 81.210 17.538 -18.159 1.00 0.00 H new ATOM 0 HG2 PRO B 6 79.274 17.708 -15.858 1.00 0.00 H new ATOM 0 HG3 PRO B 6 79.065 18.241 -17.515 1.00 0.00 H new ATOM 0 HD2 PRO B 6 77.945 15.912 -16.676 1.00 0.00 H new ATOM 0 HD3 PRO B 6 78.580 16.045 -18.304 1.00 0.00 H new ATOM 1041 N GLY B 7 81.257 14.835 -14.583 1.00 0.00 N ATOM 1042 CA GLY B 7 81.769 14.589 -13.230 1.00 0.00 C ATOM 1043 C GLY B 7 82.109 13.114 -13.030 1.00 0.00 C ATOM 1044 O GLY B 7 83.274 12.753 -12.859 1.00 0.00 O ATOM 0 H GLY B 7 80.390 14.344 -14.800 1.00 0.00 H new ATOM 0 HA2 GLY B 7 82.657 15.197 -13.058 1.00 0.00 H new ATOM 0 HA3 GLY B 7 81.025 14.897 -12.495 1.00 0.00 H new ATOM 1048 N VAL B 8 81.090 12.263 -13.051 1.00 0.00 N ATOM 1049 CA VAL B 8 81.307 10.834 -12.867 1.00 0.00 C ATOM 1050 C VAL B 8 82.220 10.292 -13.975 1.00 0.00 C ATOM 1051 O VAL B 8 83.240 9.650 -13.704 1.00 0.00 O ATOM 1052 CB VAL B 8 79.949 10.098 -12.867 1.00 0.00 C ATOM 1053 CG1 VAL B 8 79.390 10.024 -11.439 1.00 0.00 C ATOM 1054 CG2 VAL B 8 78.948 10.852 -13.754 1.00 0.00 C ATOM 0 H VAL B 8 80.117 12.533 -13.192 1.00 0.00 H new ATOM 0 HA VAL B 8 81.797 10.663 -11.908 1.00 0.00 H new ATOM 0 HB VAL B 8 80.099 9.090 -13.253 1.00 0.00 H new ATOM 0 HG11 VAL B 8 78.432 9.503 -11.450 1.00 0.00 H new ATOM 0 HG12 VAL B 8 80.090 9.483 -10.802 1.00 0.00 H new ATOM 0 HG13 VAL B 8 79.250 11.033 -11.050 1.00 0.00 H new ATOM 0 HG21 VAL B 8 77.992 10.328 -13.750 1.00 0.00 H new ATOM 0 HG22 VAL B 8 78.810 11.862 -13.369 1.00 0.00 H new ATOM 0 HG23 VAL B 8 79.331 10.901 -14.773 1.00 0.00 H new ATOM 1064 N LEU B 9 81.864 10.572 -15.220 1.00 0.00 N ATOM 1065 CA LEU B 9 82.677 10.121 -16.337 1.00 0.00 C ATOM 1066 C LEU B 9 84.091 10.676 -16.171 1.00 0.00 C ATOM 1067 O LEU B 9 85.084 9.985 -16.435 1.00 0.00 O ATOM 1068 CB LEU B 9 82.045 10.577 -17.655 1.00 0.00 C ATOM 1069 CG LEU B 9 80.566 10.151 -17.680 1.00 0.00 C ATOM 1070 CD1 LEU B 9 79.886 10.689 -18.947 1.00 0.00 C ATOM 1071 CD2 LEU B 9 80.460 8.615 -17.644 1.00 0.00 C ATOM 0 H LEU B 9 81.031 11.101 -15.479 1.00 0.00 H new ATOM 0 HA LEU B 9 82.729 9.032 -16.355 1.00 0.00 H new ATOM 0 HB2 LEU B 9 82.126 11.659 -17.756 1.00 0.00 H new ATOM 0 HB3 LEU B 9 82.577 10.137 -18.499 1.00 0.00 H new ATOM 0 HG LEU B 9 80.065 10.564 -16.804 1.00 0.00 H new ATOM 0 HD11 LEU B 9 78.840 10.383 -18.956 1.00 0.00 H new ATOM 0 HD12 LEU B 9 79.946 11.777 -18.958 1.00 0.00 H new ATOM 0 HD13 LEU B 9 80.389 10.289 -19.828 1.00 0.00 H new ATOM 0 HD21 LEU B 9 79.410 8.322 -17.662 1.00 0.00 H new ATOM 0 HD22 LEU B 9 80.969 8.195 -18.512 1.00 0.00 H new ATOM 0 HD23 LEU B 9 80.926 8.239 -16.733 1.00 0.00 H new ATOM 1083 N ALA B 10 84.176 11.911 -15.672 1.00 0.00 N ATOM 1084 CA ALA B 10 85.471 12.523 -15.415 1.00 0.00 C ATOM 1085 C ALA B 10 86.235 11.608 -14.457 1.00 0.00 C ATOM 1086 O ALA B 10 87.464 11.458 -14.521 1.00 0.00 O ATOM 1087 CB ALA B 10 85.284 13.914 -14.788 1.00 0.00 C ATOM 0 H ALA B 10 83.373 12.496 -15.442 1.00 0.00 H new ATOM 0 HA ALA B 10 86.026 12.647 -16.345 1.00 0.00 H new ATOM 0 HB1 ALA B 10 86.260 14.362 -14.600 1.00 0.00 H new ATOM 0 HB2 ALA B 10 84.719 14.548 -15.471 1.00 0.00 H new ATOM 0 HB3 ALA B 10 84.741 13.819 -13.848 1.00 0.00 H new ATOM 1093 N GLY B 11 85.467 10.988 -13.566 1.00 0.00 N ATOM 1094 CA GLY B 11 86.023 10.074 -12.584 1.00 0.00 C ATOM 1095 C GLY B 11 86.589 8.824 -13.248 1.00 0.00 C ATOM 1096 O GLY B 11 87.610 8.297 -12.807 1.00 0.00 O ATOM 0 H GLY B 11 84.455 11.105 -13.507 1.00 0.00 H new ATOM 0 HA2 GLY B 11 86.809 10.577 -12.021 1.00 0.00 H new ATOM 0 HA3 GLY B 11 85.250 9.791 -11.870 1.00 0.00 H new ATOM 1100 N ILE B 12 85.937 8.342 -14.309 1.00 0.00 N ATOM 1101 CA ILE B 12 86.438 7.154 -14.977 1.00 0.00 C ATOM 1102 C ILE B 12 87.795 7.461 -15.608 1.00 0.00 C ATOM 1103 O ILE B 12 88.716 6.649 -15.521 1.00 0.00 O ATOM 1104 CB ILE B 12 85.406 6.642 -16.009 1.00 0.00 C ATOM 1105 CG1 ILE B 12 84.382 5.756 -15.278 1.00 0.00 C ATOM 1106 CG2 ILE B 12 86.099 5.819 -17.108 1.00 0.00 C ATOM 1107 CD1 ILE B 12 83.197 5.438 -16.190 1.00 0.00 C ATOM 0 H ILE B 12 85.089 8.745 -14.709 1.00 0.00 H new ATOM 0 HA ILE B 12 86.583 6.352 -14.254 1.00 0.00 H new ATOM 0 HB ILE B 12 84.912 7.494 -16.476 1.00 0.00 H new ATOM 0 HG12 ILE B 12 84.859 4.830 -14.956 1.00 0.00 H new ATOM 0 HG13 ILE B 12 84.030 6.263 -14.379 1.00 0.00 H new ATOM 0 HG21 ILE B 12 85.355 5.468 -17.824 1.00 0.00 H new ATOM 0 HG22 ILE B 12 86.831 6.442 -17.622 1.00 0.00 H new ATOM 0 HG23 ILE B 12 86.602 4.963 -16.659 1.00 0.00 H new ATOM 0 HD11 ILE B 12 82.484 4.811 -15.655 1.00 0.00 H new ATOM 0 HD12 ILE B 12 82.710 6.366 -16.490 1.00 0.00 H new ATOM 0 HD13 ILE B 12 83.551 4.911 -17.076 1.00 0.00 H new ATOM 1119 N VAL B 13 87.932 8.637 -16.216 1.00 0.00 N ATOM 1120 CA VAL B 13 89.221 9.003 -16.811 1.00 0.00 C ATOM 1121 C VAL B 13 90.296 8.956 -15.725 1.00 0.00 C ATOM 1122 O VAL B 13 91.385 8.427 -15.944 1.00 0.00 O ATOM 1123 CB VAL B 13 89.169 10.402 -17.509 1.00 0.00 C ATOM 1124 CG1 VAL B 13 87.722 10.823 -17.696 1.00 0.00 C ATOM 1125 CG2 VAL B 13 89.885 11.493 -16.692 1.00 0.00 C ATOM 0 H VAL B 13 87.194 9.335 -16.310 1.00 0.00 H new ATOM 0 HA VAL B 13 89.466 8.285 -17.594 1.00 0.00 H new ATOM 0 HB VAL B 13 89.679 10.299 -18.467 1.00 0.00 H new ATOM 0 HG11 VAL B 13 87.687 11.798 -18.182 1.00 0.00 H new ATOM 0 HG12 VAL B 13 87.207 10.089 -18.316 1.00 0.00 H new ATOM 0 HG13 VAL B 13 87.232 10.885 -16.724 1.00 0.00 H new ATOM 0 HG21 VAL B 13 89.820 12.444 -17.220 1.00 0.00 H new ATOM 0 HG22 VAL B 13 89.410 11.587 -15.715 1.00 0.00 H new ATOM 0 HG23 VAL B 13 90.932 11.221 -16.561 1.00 0.00 H new ATOM 1135 N VAL B 14 89.983 9.502 -14.549 1.00 0.00 N ATOM 1136 CA VAL B 14 90.949 9.490 -13.454 1.00 0.00 C ATOM 1137 C VAL B 14 91.416 8.057 -13.195 1.00 0.00 C ATOM 1138 O VAL B 14 92.618 7.786 -13.143 1.00 0.00 O ATOM 1139 CB VAL B 14 90.327 10.073 -12.181 1.00 0.00 C ATOM 1140 CG1 VAL B 14 91.306 9.915 -11.015 1.00 0.00 C ATOM 1141 CG2 VAL B 14 90.031 11.560 -12.390 1.00 0.00 C ATOM 0 H VAL B 14 89.091 9.947 -14.334 1.00 0.00 H new ATOM 0 HA VAL B 14 91.804 10.105 -13.735 1.00 0.00 H new ATOM 0 HB VAL B 14 89.401 9.543 -11.958 1.00 0.00 H new ATOM 0 HG11 VAL B 14 90.863 10.330 -10.109 1.00 0.00 H new ATOM 0 HG12 VAL B 14 91.522 8.858 -10.862 1.00 0.00 H new ATOM 0 HG13 VAL B 14 92.231 10.445 -11.242 1.00 0.00 H new ATOM 0 HG21 VAL B 14 89.589 11.974 -11.484 1.00 0.00 H new ATOM 0 HG22 VAL B 14 90.958 12.087 -12.615 1.00 0.00 H new ATOM 0 HG23 VAL B 14 89.335 11.679 -13.221 1.00 0.00 H new ATOM 1151 N GLY B 15 90.453 7.146 -13.054 1.00 0.00 N ATOM 1152 CA GLY B 15 90.762 5.736 -12.818 1.00 0.00 C ATOM 1153 C GLY B 15 91.624 5.178 -13.948 1.00 0.00 C ATOM 1154 O GLY B 15 92.457 4.295 -13.735 1.00 0.00 O ATOM 0 H GLY B 15 89.456 7.358 -13.099 1.00 0.00 H new ATOM 0 HA2 GLY B 15 91.284 5.627 -11.867 1.00 0.00 H new ATOM 0 HA3 GLY B 15 89.838 5.163 -12.742 1.00 0.00 H new ATOM 1158 N ASP B 16 91.419 5.701 -15.153 1.00 0.00 N ATOM 1159 CA ASP B 16 92.182 5.251 -16.310 1.00 0.00 C ATOM 1160 C ASP B 16 93.640 5.690 -16.203 1.00 0.00 C ATOM 1161 O ASP B 16 94.552 4.930 -16.528 1.00 0.00 O ATOM 1162 CB ASP B 16 91.568 5.821 -17.591 1.00 0.00 C ATOM 1163 CG ASP B 16 92.121 5.087 -18.808 1.00 0.00 C ATOM 1164 OD1 ASP B 16 92.433 3.915 -18.676 1.00 0.00 O ATOM 1165 OD2 ASP B 16 92.222 5.706 -19.853 1.00 0.00 O ATOM 0 H ASP B 16 90.736 6.432 -15.352 1.00 0.00 H new ATOM 0 HA ASP B 16 92.148 4.162 -16.341 1.00 0.00 H new ATOM 0 HB2 ASP B 16 90.483 5.722 -17.559 1.00 0.00 H new ATOM 0 HB3 ASP B 16 91.789 6.886 -17.667 1.00 0.00 H new ATOM 1170 N LEU B 17 93.853 6.921 -15.747 1.00 0.00 N ATOM 1171 CA LEU B 17 95.205 7.450 -15.603 1.00 0.00 C ATOM 1172 C LEU B 17 96.002 6.610 -14.608 1.00 0.00 C ATOM 1173 O LEU B 17 97.105 6.144 -14.909 1.00 0.00 O ATOM 1174 CB LEU B 17 95.136 8.907 -15.122 1.00 0.00 C ATOM 1175 CG LEU B 17 96.536 9.430 -14.770 1.00 0.00 C ATOM 1176 CD1 LEU B 17 97.500 9.180 -15.936 1.00 0.00 C ATOM 1177 CD2 LEU B 17 96.449 10.935 -14.495 1.00 0.00 C ATOM 0 H LEU B 17 93.113 7.567 -15.473 1.00 0.00 H new ATOM 0 HA LEU B 17 95.707 7.410 -16.570 1.00 0.00 H new ATOM 0 HB2 LEU B 17 94.694 9.531 -15.899 1.00 0.00 H new ATOM 0 HB3 LEU B 17 94.486 8.977 -14.249 1.00 0.00 H new ATOM 0 HG LEU B 17 96.906 8.909 -13.887 1.00 0.00 H new ATOM 0 HD11 LEU B 17 98.490 9.555 -15.676 1.00 0.00 H new ATOM 0 HD12 LEU B 17 97.558 8.110 -16.137 1.00 0.00 H new ATOM 0 HD13 LEU B 17 97.138 9.697 -16.825 1.00 0.00 H new ATOM 0 HD21 LEU B 17 97.439 11.317 -14.244 1.00 0.00 H new ATOM 0 HD22 LEU B 17 96.077 11.446 -15.383 1.00 0.00 H new ATOM 0 HD23 LEU B 17 95.769 11.114 -13.662 1.00 0.00 H new ATOM 1189 N VAL B 18 95.434 6.416 -13.423 1.00 0.00 N ATOM 1190 CA VAL B 18 96.100 5.625 -12.392 1.00 0.00 C ATOM 1191 C VAL B 18 96.378 4.215 -12.909 1.00 0.00 C ATOM 1192 O VAL B 18 97.438 3.649 -12.637 1.00 0.00 O ATOM 1193 CB VAL B 18 95.237 5.577 -11.123 1.00 0.00 C ATOM 1194 CG1 VAL B 18 93.818 5.180 -11.484 1.00 0.00 C ATOM 1195 CG2 VAL B 18 95.784 4.549 -10.137 1.00 0.00 C ATOM 0 H VAL B 18 94.524 6.790 -13.153 1.00 0.00 H new ATOM 0 HA VAL B 18 97.052 6.095 -12.144 1.00 0.00 H new ATOM 0 HB VAL B 18 95.253 6.566 -10.665 1.00 0.00 H new ATOM 0 HG11 VAL B 18 93.209 5.147 -10.581 1.00 0.00 H new ATOM 0 HG12 VAL B 18 93.401 5.911 -12.177 1.00 0.00 H new ATOM 0 HG13 VAL B 18 93.824 4.197 -11.954 1.00 0.00 H new ATOM 0 HG21 VAL B 18 95.158 4.531 -9.245 1.00 0.00 H new ATOM 0 HG22 VAL B 18 95.782 3.563 -10.601 1.00 0.00 H new ATOM 0 HG23 VAL B 18 96.803 4.818 -9.859 1.00 0.00 H new ATOM 1205 N LEU B 19 95.436 3.651 -13.663 1.00 0.00 N ATOM 1206 CA LEU B 19 95.633 2.310 -14.206 1.00 0.00 C ATOM 1207 C LEU B 19 96.859 2.301 -15.118 1.00 0.00 C ATOM 1208 O LEU B 19 97.761 1.485 -14.952 1.00 0.00 O ATOM 1209 CB LEU B 19 94.389 1.859 -15.011 1.00 0.00 C ATOM 1210 CG LEU B 19 93.427 1.030 -14.138 1.00 0.00 C ATOM 1211 CD1 LEU B 19 92.035 1.028 -14.787 1.00 0.00 C ATOM 1212 CD2 LEU B 19 93.932 -0.423 -14.029 1.00 0.00 C ATOM 0 H LEU B 19 94.548 4.090 -13.907 1.00 0.00 H new ATOM 0 HA LEU B 19 95.784 1.618 -13.377 1.00 0.00 H new ATOM 0 HB2 LEU B 19 93.868 2.734 -15.400 1.00 0.00 H new ATOM 0 HB3 LEU B 19 94.704 1.268 -15.871 1.00 0.00 H new ATOM 0 HG LEU B 19 93.378 1.470 -13.142 1.00 0.00 H new ATOM 0 HD11 LEU B 19 91.349 0.443 -14.175 1.00 0.00 H new ATOM 0 HD12 LEU B 19 91.669 2.052 -14.866 1.00 0.00 H new ATOM 0 HD13 LEU B 19 92.098 0.588 -15.782 1.00 0.00 H new ATOM 0 HD21 LEU B 19 93.246 -1.001 -13.410 1.00 0.00 H new ATOM 0 HD22 LEU B 19 93.984 -0.866 -15.024 1.00 0.00 H new ATOM 0 HD23 LEU B 19 94.923 -0.431 -13.576 1.00 0.00 H new ATOM 1224 N THR B 20 96.877 3.217 -16.083 1.00 0.00 N ATOM 1225 CA THR B 20 97.990 3.300 -17.021 1.00 0.00 C ATOM 1226 C THR B 20 99.318 3.277 -16.277 1.00 0.00 C ATOM 1227 O THR B 20 100.241 2.557 -16.657 1.00 0.00 O ATOM 1228 CB THR B 20 97.884 4.584 -17.850 1.00 0.00 C ATOM 1229 OG1 THR B 20 96.548 4.738 -18.310 1.00 0.00 O ATOM 1230 CG2 THR B 20 98.831 4.499 -19.049 1.00 0.00 C ATOM 0 H THR B 20 96.140 3.906 -16.234 1.00 0.00 H new ATOM 0 HA THR B 20 97.945 2.438 -17.686 1.00 0.00 H new ATOM 0 HB THR B 20 98.159 5.440 -17.233 1.00 0.00 H new ATOM 0 HG1 THR B 20 95.994 5.104 -17.589 1.00 0.00 H new ATOM 0 HG21 THR B 20 98.755 5.413 -19.638 1.00 0.00 H new ATOM 0 HG22 THR B 20 99.855 4.379 -18.696 1.00 0.00 H new ATOM 0 HG23 THR B 20 98.558 3.644 -19.668 1.00 0.00 H new ATOM 1238 N VAL B 21 99.408 4.065 -15.213 1.00 0.00 N ATOM 1239 CA VAL B 21 100.632 4.119 -14.423 1.00 0.00 C ATOM 1240 C VAL B 21 100.896 2.776 -13.742 1.00 0.00 C ATOM 1241 O VAL B 21 102.047 2.379 -13.556 1.00 0.00 O ATOM 1242 CB VAL B 21 100.519 5.220 -13.365 1.00 0.00 C ATOM 1243 CG1 VAL B 21 101.758 5.198 -12.467 1.00 0.00 C ATOM 1244 CG2 VAL B 21 100.415 6.581 -14.055 1.00 0.00 C ATOM 0 H VAL B 21 98.657 4.669 -14.880 1.00 0.00 H new ATOM 0 HA VAL B 21 101.464 4.340 -15.091 1.00 0.00 H new ATOM 0 HB VAL B 21 99.629 5.049 -12.759 1.00 0.00 H new ATOM 0 HG11 VAL B 21 101.676 5.982 -11.715 1.00 0.00 H new ATOM 0 HG12 VAL B 21 101.833 4.229 -11.974 1.00 0.00 H new ATOM 0 HG13 VAL B 21 102.649 5.367 -13.072 1.00 0.00 H new ATOM 0 HG21 VAL B 21 100.334 7.365 -13.302 1.00 0.00 H new ATOM 0 HG22 VAL B 21 101.305 6.750 -14.662 1.00 0.00 H new ATOM 0 HG23 VAL B 21 99.532 6.599 -14.693 1.00 0.00 H new ATOM 1254 N LEU B 22 99.824 2.088 -13.358 1.00 0.00 N ATOM 1255 CA LEU B 22 99.954 0.800 -12.682 1.00 0.00 C ATOM 1256 C LEU B 22 100.506 -0.273 -13.622 1.00 0.00 C ATOM 1257 O LEU B 22 101.500 -0.930 -13.308 1.00 0.00 O ATOM 1258 CB LEU B 22 98.586 0.365 -12.148 1.00 0.00 C ATOM 1259 CG LEU B 22 98.750 -0.723 -11.072 1.00 0.00 C ATOM 1260 CD1 LEU B 22 99.404 -0.142 -9.799 1.00 0.00 C ATOM 1261 CD2 LEU B 22 97.367 -1.295 -10.732 1.00 0.00 C ATOM 0 H LEU B 22 98.863 2.397 -13.502 1.00 0.00 H new ATOM 0 HA LEU B 22 100.657 0.917 -11.857 1.00 0.00 H new ATOM 0 HB2 LEU B 22 98.063 1.224 -11.728 1.00 0.00 H new ATOM 0 HB3 LEU B 22 97.973 -0.013 -12.966 1.00 0.00 H new ATOM 0 HG LEU B 22 99.398 -1.511 -11.456 1.00 0.00 H new ATOM 0 HD11 LEU B 22 99.510 -0.929 -9.053 1.00 0.00 H new ATOM 0 HD12 LEU B 22 100.387 0.259 -10.046 1.00 0.00 H new ATOM 0 HD13 LEU B 22 98.777 0.655 -9.399 1.00 0.00 H new ATOM 0 HD21 LEU B 22 97.470 -2.068 -9.970 1.00 0.00 H new ATOM 0 HD22 LEU B 22 96.726 -0.498 -10.356 1.00 0.00 H new ATOM 0 HD23 LEU B 22 96.921 -1.727 -11.628 1.00 0.00 H new ATOM 1273 N ILE B 23 99.864 -0.452 -14.774 1.00 0.00 N ATOM 1274 CA ILE B 23 100.319 -1.454 -15.731 1.00 0.00 C ATOM 1275 C ILE B 23 101.739 -1.133 -16.184 1.00 0.00 C ATOM 1276 O ILE B 23 102.606 -2.006 -16.204 1.00 0.00 O ATOM 1277 CB ILE B 23 99.389 -1.499 -16.947 1.00 0.00 C ATOM 1278 CG1 ILE B 23 97.924 -1.515 -16.491 1.00 0.00 C ATOM 1279 CG2 ILE B 23 99.678 -2.762 -17.763 1.00 0.00 C ATOM 1280 CD1 ILE B 23 97.701 -2.626 -15.459 1.00 0.00 C ATOM 0 H ILE B 23 99.040 0.075 -15.064 1.00 0.00 H new ATOM 0 HA ILE B 23 100.305 -2.429 -15.243 1.00 0.00 H new ATOM 0 HB ILE B 23 99.563 -0.615 -17.560 1.00 0.00 H new ATOM 0 HG12 ILE B 23 97.660 -0.550 -16.059 1.00 0.00 H new ATOM 0 HG13 ILE B 23 97.270 -1.670 -17.349 1.00 0.00 H new ATOM 0 HG21 ILE B 23 99.017 -2.795 -18.629 1.00 0.00 H new ATOM 0 HG22 ILE B 23 100.715 -2.749 -18.099 1.00 0.00 H new ATOM 0 HG23 ILE B 23 99.508 -3.642 -17.143 1.00 0.00 H new ATOM 0 HD11 ILE B 23 96.657 -2.626 -15.144 1.00 0.00 H new ATOM 0 HD12 ILE B 23 97.946 -3.590 -15.904 1.00 0.00 H new ATOM 0 HD13 ILE B 23 98.341 -2.453 -14.594 1.00 0.00 H new ATOM 1292 N ALA B 24 101.975 0.128 -16.537 1.00 0.00 N ATOM 1293 CA ALA B 24 103.301 0.547 -16.974 1.00 0.00 C ATOM 1294 C ALA B 24 104.339 0.145 -15.934 1.00 0.00 C ATOM 1295 O ALA B 24 105.398 -0.392 -16.267 1.00 0.00 O ATOM 1296 CB ALA B 24 103.332 2.064 -17.174 1.00 0.00 C ATOM 0 H ALA B 24 101.274 0.869 -16.529 1.00 0.00 H new ATOM 0 HA ALA B 24 103.532 0.058 -17.920 1.00 0.00 H new ATOM 0 HB1 ALA B 24 104.327 2.368 -17.500 1.00 0.00 H new ATOM 0 HB2 ALA B 24 102.600 2.346 -17.931 1.00 0.00 H new ATOM 0 HB3 ALA B 24 103.092 2.560 -16.234 1.00 0.00 H new ATOM 1302 N LEU B 25 104.023 0.394 -14.668 1.00 0.00 N ATOM 1303 CA LEU B 25 104.930 0.037 -13.588 1.00 0.00 C ATOM 1304 C LEU B 25 105.191 -1.464 -13.625 1.00 0.00 C ATOM 1305 O LEU B 25 106.311 -1.919 -13.393 1.00 0.00 O ATOM 1306 CB LEU B 25 104.320 0.437 -12.238 1.00 0.00 C ATOM 1307 CG LEU B 25 105.189 -0.070 -11.079 1.00 0.00 C ATOM 1308 CD1 LEU B 25 106.637 0.410 -11.254 1.00 0.00 C ATOM 1309 CD2 LEU B 25 104.627 0.471 -9.761 1.00 0.00 C ATOM 0 H LEU B 25 103.155 0.837 -14.368 1.00 0.00 H new ATOM 0 HA LEU B 25 105.873 0.569 -13.714 1.00 0.00 H new ATOM 0 HB2 LEU B 25 104.227 1.522 -12.182 1.00 0.00 H new ATOM 0 HB3 LEU B 25 103.314 0.026 -12.152 1.00 0.00 H new ATOM 0 HG LEU B 25 105.178 -1.160 -11.070 1.00 0.00 H new ATOM 0 HD11 LEU B 25 107.244 0.044 -10.426 1.00 0.00 H new ATOM 0 HD12 LEU B 25 107.036 0.027 -12.193 1.00 0.00 H new ATOM 0 HD13 LEU B 25 106.660 1.500 -11.267 1.00 0.00 H new ATOM 0 HD21 LEU B 25 105.238 0.116 -8.932 1.00 0.00 H new ATOM 0 HD22 LEU B 25 104.639 1.561 -9.780 1.00 0.00 H new ATOM 0 HD23 LEU B 25 103.602 0.122 -9.632 1.00 0.00 H new ATOM 1321 N ALA B 26 104.143 -2.228 -13.928 1.00 0.00 N ATOM 1322 CA ALA B 26 104.265 -3.678 -14.005 1.00 0.00 C ATOM 1323 C ALA B 26 105.229 -4.070 -15.123 1.00 0.00 C ATOM 1324 O ALA B 26 106.008 -5.011 -14.980 1.00 0.00 O ATOM 1325 CB ALA B 26 102.894 -4.308 -14.262 1.00 0.00 C ATOM 0 H ALA B 26 103.208 -1.869 -14.122 1.00 0.00 H new ATOM 0 HA ALA B 26 104.655 -4.044 -13.056 1.00 0.00 H new ATOM 0 HB1 ALA B 26 102.996 -5.392 -14.318 1.00 0.00 H new ATOM 0 HB2 ALA B 26 102.216 -4.049 -13.449 1.00 0.00 H new ATOM 0 HB3 ALA B 26 102.492 -3.933 -15.203 1.00 0.00 H new ATOM 1331 N VAL B 27 105.173 -3.338 -16.234 1.00 0.00 N ATOM 1332 CA VAL B 27 106.052 -3.621 -17.362 1.00 0.00 C ATOM 1333 C VAL B 27 107.508 -3.465 -16.941 1.00 0.00 C ATOM 1334 O VAL B 27 108.340 -4.331 -17.211 1.00 0.00 O ATOM 1335 CB VAL B 27 105.751 -2.671 -18.525 1.00 0.00 C ATOM 1336 CG1 VAL B 27 106.742 -2.923 -19.662 1.00 0.00 C ATOM 1337 CG2 VAL B 27 104.324 -2.912 -19.027 1.00 0.00 C ATOM 0 H VAL B 27 104.536 -2.554 -16.375 1.00 0.00 H new ATOM 0 HA VAL B 27 105.877 -4.647 -17.687 1.00 0.00 H new ATOM 0 HB VAL B 27 105.846 -1.640 -18.184 1.00 0.00 H new ATOM 0 HG11 VAL B 27 106.527 -2.246 -20.489 1.00 0.00 H new ATOM 0 HG12 VAL B 27 107.757 -2.749 -19.305 1.00 0.00 H new ATOM 0 HG13 VAL B 27 106.650 -3.954 -20.003 1.00 0.00 H new ATOM 0 HG21 VAL B 27 104.110 -2.236 -19.855 1.00 0.00 H new ATOM 0 HG22 VAL B 27 104.227 -3.943 -19.367 1.00 0.00 H new ATOM 0 HG23 VAL B 27 103.618 -2.729 -18.217 1.00 0.00 H new ATOM 1347 N TYR B 28 107.807 -2.357 -16.270 1.00 0.00 N ATOM 1348 CA TYR B 28 109.167 -2.104 -15.808 1.00 0.00 C ATOM 1349 C TYR B 28 109.595 -3.188 -14.823 1.00 0.00 C ATOM 1350 O TYR B 28 110.731 -3.663 -14.861 1.00 0.00 O ATOM 1351 CB TYR B 28 109.247 -0.734 -15.131 1.00 0.00 C ATOM 1352 CG TYR B 28 110.693 -0.390 -14.863 1.00 0.00 C ATOM 1353 CD1 TYR B 28 111.472 0.189 -15.872 1.00 0.00 C ATOM 1354 CD2 TYR B 28 111.253 -0.648 -13.607 1.00 0.00 C ATOM 1355 CE1 TYR B 28 112.813 0.508 -15.625 1.00 0.00 C ATOM 1356 CE2 TYR B 28 112.593 -0.328 -13.359 1.00 0.00 C ATOM 1357 CZ TYR B 28 113.373 0.251 -14.368 1.00 0.00 C ATOM 1358 OH TYR B 28 114.694 0.565 -14.124 1.00 0.00 O ATOM 0 H TYR B 28 107.134 -1.627 -16.036 1.00 0.00 H new ATOM 0 HA TYR B 28 109.836 -2.117 -16.668 1.00 0.00 H new ATOM 0 HB2 TYR B 28 108.793 0.025 -15.768 1.00 0.00 H new ATOM 0 HB3 TYR B 28 108.685 -0.744 -14.197 1.00 0.00 H new ATOM 0 HD1 TYR B 28 111.039 0.390 -16.841 1.00 0.00 H new ATOM 0 HD2 TYR B 28 110.651 -1.094 -12.829 1.00 0.00 H new ATOM 0 HE1 TYR B 28 113.415 0.952 -16.404 1.00 0.00 H new ATOM 0 HE2 TYR B 28 113.025 -0.528 -12.390 1.00 0.00 H new ATOM 0 HH TYR B 28 114.923 0.323 -13.202 1.00 0.00 H new ATOM 1368 N PHE B 29 108.674 -3.575 -13.948 1.00 0.00 N ATOM 1369 CA PHE B 29 108.952 -4.606 -12.956 1.00 0.00 C ATOM 1370 C PHE B 29 109.397 -5.898 -13.638 1.00 0.00 C ATOM 1371 O PHE B 29 110.400 -6.500 -13.253 1.00 0.00 O ATOM 1372 CB PHE B 29 107.691 -4.858 -12.119 1.00 0.00 C ATOM 1373 CG PHE B 29 107.881 -6.076 -11.240 1.00 0.00 C ATOM 1374 CD1 PHE B 29 108.909 -6.100 -10.289 1.00 0.00 C ATOM 1375 CD2 PHE B 29 107.030 -7.184 -11.375 1.00 0.00 C ATOM 1376 CE1 PHE B 29 109.086 -7.226 -9.475 1.00 0.00 C ATOM 1377 CE2 PHE B 29 107.207 -8.308 -10.561 1.00 0.00 C ATOM 1378 CZ PHE B 29 108.234 -8.329 -9.611 1.00 0.00 C ATOM 0 H PHE B 29 107.730 -3.191 -13.905 1.00 0.00 H new ATOM 0 HA PHE B 29 109.758 -4.267 -12.306 1.00 0.00 H new ATOM 0 HB2 PHE B 29 107.475 -3.986 -11.502 1.00 0.00 H new ATOM 0 HB3 PHE B 29 106.833 -5.005 -12.776 1.00 0.00 H new ATOM 0 HD1 PHE B 29 109.566 -5.249 -10.183 1.00 0.00 H new ATOM 0 HD2 PHE B 29 106.237 -7.169 -12.108 1.00 0.00 H new ATOM 0 HE1 PHE B 29 109.879 -7.244 -8.743 1.00 0.00 H new ATOM 0 HE2 PHE B 29 106.551 -9.159 -10.666 1.00 0.00 H new ATOM 0 HZ PHE B 29 108.370 -9.196 -8.982 1.00 0.00 H new ATOM 1388 N LEU B 30 108.645 -6.319 -14.649 1.00 0.00 N ATOM 1389 CA LEU B 30 108.972 -7.540 -15.375 1.00 0.00 C ATOM 1390 C LEU B 30 110.335 -7.409 -16.049 1.00 0.00 C ATOM 1391 O LEU B 30 111.144 -8.335 -16.021 1.00 0.00 O ATOM 1392 CB LEU B 30 107.888 -7.825 -16.424 1.00 0.00 C ATOM 1393 CG LEU B 30 108.285 -9.019 -17.305 1.00 0.00 C ATOM 1394 CD1 LEU B 30 108.621 -10.235 -16.430 1.00 0.00 C ATOM 1395 CD2 LEU B 30 107.113 -9.365 -18.229 1.00 0.00 C ATOM 0 H LEU B 30 107.811 -5.837 -14.983 1.00 0.00 H new ATOM 0 HA LEU B 30 109.014 -8.370 -14.670 1.00 0.00 H new ATOM 0 HB2 LEU B 30 106.940 -8.032 -15.927 1.00 0.00 H new ATOM 0 HB3 LEU B 30 107.736 -6.943 -17.046 1.00 0.00 H new ATOM 0 HG LEU B 30 109.163 -8.756 -17.895 1.00 0.00 H new ATOM 0 HD11 LEU B 30 108.901 -11.075 -17.066 1.00 0.00 H new ATOM 0 HD12 LEU B 30 109.451 -9.989 -15.768 1.00 0.00 H new ATOM 0 HD13 LEU B 30 107.750 -10.506 -15.834 1.00 0.00 H new ATOM 0 HD21 LEU B 30 107.384 -10.212 -18.859 1.00 0.00 H new ATOM 0 HD22 LEU B 30 106.241 -9.624 -17.629 1.00 0.00 H new ATOM 0 HD23 LEU B 30 106.879 -8.506 -18.857 1.00 0.00 H new