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= -0.879 USER MOD Single : A 5 SER OG : rot 180:sc= -0.458 USER MOD Single : A 20 THR OG1 : rot 170:sc= -0.194 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00511 USER MOD Single : A 52 LYS NZ :NH3+ -101:sc= -2.42 (180deg=-4.67!) USER MOD Single : A 53 THR OG1 : rot 110:sc= 0.865 USER MOD Single : B 5 SER OG : rot 122:sc= -1.75 USER MOD Single : B 20 THR OG1 : rot 180:sc= 0.013 USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N THR A 3 72.277 14.866 -18.369 1.00 0.00 N ATOM 22 CA THR A 3 73.358 13.948 -18.020 1.00 0.00 C ATOM 23 C THR A 3 73.601 12.958 -19.154 1.00 0.00 C ATOM 24 O THR A 3 72.808 12.878 -20.093 1.00 0.00 O ATOM 25 CB THR A 3 73.001 13.185 -16.742 1.00 0.00 C ATOM 26 OG1 THR A 3 73.847 12.051 -16.617 1.00 0.00 O ATOM 27 CG2 THR A 3 71.541 12.732 -16.807 1.00 0.00 C ATOM 0 HA THR A 3 74.266 14.527 -17.855 1.00 0.00 H new ATOM 0 HB THR A 3 73.138 13.837 -15.879 1.00 0.00 H new ATOM 0 HG1 THR A 3 73.621 11.563 -15.798 1.00 0.00 H new ATOM 0 HG21 THR A 3 71.288 12.189 -15.897 1.00 0.00 H new ATOM 0 HG22 THR A 3 70.893 13.604 -16.901 1.00 0.00 H new ATOM 0 HG23 THR A 3 71.400 12.080 -17.669 1.00 0.00 H new ATOM 35 N VAL A 4 74.698 12.203 -19.053 1.00 0.00 N ATOM 36 CA VAL A 4 75.050 11.205 -20.073 1.00 0.00 C ATOM 37 C VAL A 4 74.617 11.649 -21.468 1.00 0.00 C ATOM 38 O VAL A 4 74.237 10.831 -22.306 1.00 0.00 O ATOM 39 CB VAL A 4 74.411 9.859 -19.722 1.00 0.00 C ATOM 40 CG1 VAL A 4 74.997 9.355 -18.400 1.00 0.00 C ATOM 41 CG2 VAL A 4 72.894 10.024 -19.570 1.00 0.00 C ATOM 0 H VAL A 4 75.358 12.262 -18.278 1.00 0.00 H new ATOM 0 HA VAL A 4 76.135 11.101 -20.084 1.00 0.00 H new ATOM 0 HB VAL A 4 74.617 9.144 -20.519 1.00 0.00 H new ATOM 0 HG11 VAL A 4 74.546 8.396 -18.144 1.00 0.00 H new ATOM 0 HG12 VAL A 4 76.075 9.233 -18.503 1.00 0.00 H new ATOM 0 HG13 VAL A 4 74.788 10.077 -17.611 1.00 0.00 H new ATOM 0 HG21 VAL A 4 72.447 9.062 -19.320 1.00 0.00 H new ATOM 0 HG22 VAL A 4 72.684 10.739 -18.775 1.00 0.00 H new ATOM 0 HG23 VAL A 4 72.472 10.388 -20.507 1.00 0.00 H new ATOM 51 N SER A 5 74.695 12.955 -21.708 1.00 0.00 N ATOM 52 CA SER A 5 74.328 13.521 -23.003 1.00 0.00 C ATOM 53 C SER A 5 75.529 13.492 -23.956 1.00 0.00 C ATOM 54 O SER A 5 75.381 13.172 -25.135 1.00 0.00 O ATOM 55 CB SER A 5 73.829 14.966 -22.822 1.00 0.00 C ATOM 56 OG SER A 5 74.811 15.881 -23.297 1.00 0.00 O ATOM 0 H SER A 5 75.009 13.642 -21.022 1.00 0.00 H new ATOM 0 HA SER A 5 73.527 12.921 -23.435 1.00 0.00 H new ATOM 0 HB2 SER A 5 72.894 15.108 -23.365 1.00 0.00 H new ATOM 0 HB3 SER A 5 73.619 15.158 -21.770 1.00 0.00 H new ATOM 0 HG SER A 5 74.487 16.798 -23.181 1.00 0.00 H new ATOM 62 N PRO A 6 76.706 13.814 -23.471 1.00 0.00 N ATOM 63 CA PRO A 6 77.949 13.818 -24.304 1.00 0.00 C ATOM 64 C PRO A 6 78.106 12.551 -25.130 1.00 0.00 C ATOM 65 O PRO A 6 78.438 12.619 -26.313 1.00 0.00 O ATOM 66 CB PRO A 6 79.063 13.966 -23.264 1.00 0.00 C ATOM 67 CG PRO A 6 78.425 14.754 -22.175 1.00 0.00 C ATOM 68 CD PRO A 6 77.002 14.212 -22.079 1.00 0.00 C ATOM 0 HA PRO A 6 77.949 14.613 -25.049 1.00 0.00 H new ATOM 0 HB2 PRO A 6 79.409 12.996 -22.907 1.00 0.00 H new ATOM 0 HB3 PRO A 6 79.930 14.482 -23.676 1.00 0.00 H new ATOM 0 HG2 PRO A 6 78.959 14.630 -21.233 1.00 0.00 H new ATOM 0 HG3 PRO A 6 78.427 15.819 -22.405 1.00 0.00 H new ATOM 0 HD2 PRO A 6 76.937 13.366 -21.394 1.00 0.00 H new ATOM 0 HD3 PRO A 6 76.305 14.968 -21.718 1.00 0.00 H new ATOM 76 N GLY A 7 77.873 11.400 -24.512 1.00 0.00 N ATOM 77 CA GLY A 7 78.017 10.138 -25.238 1.00 0.00 C ATOM 78 C GLY A 7 79.493 9.881 -25.505 1.00 0.00 C ATOM 79 O GLY A 7 80.014 8.802 -25.215 1.00 0.00 O ATOM 0 H GLY A 7 77.591 11.310 -23.536 1.00 0.00 H new ATOM 0 HA2 GLY A 7 77.592 9.320 -24.657 1.00 0.00 H new ATOM 0 HA3 GLY A 7 77.467 10.180 -26.178 1.00 0.00 H new ATOM 83 N VAL A 8 80.175 10.894 -26.030 1.00 0.00 N ATOM 84 CA VAL A 8 81.596 10.775 -26.293 1.00 0.00 C ATOM 85 C VAL A 8 82.282 10.366 -25.006 1.00 0.00 C ATOM 86 O VAL A 8 83.156 9.493 -24.997 1.00 0.00 O ATOM 87 CB VAL A 8 82.157 12.107 -26.793 1.00 0.00 C ATOM 88 CG1 VAL A 8 83.685 12.030 -26.869 1.00 0.00 C ATOM 89 CG2 VAL A 8 81.595 12.395 -28.186 1.00 0.00 C ATOM 0 H VAL A 8 79.768 11.796 -26.278 1.00 0.00 H new ATOM 0 HA VAL A 8 81.772 10.026 -27.065 1.00 0.00 H new ATOM 0 HB VAL A 8 81.871 12.903 -26.105 1.00 0.00 H new ATOM 0 HG11 VAL A 8 84.080 12.981 -27.226 1.00 0.00 H new ATOM 0 HG12 VAL A 8 84.088 11.818 -25.879 1.00 0.00 H new ATOM 0 HG13 VAL A 8 83.976 11.236 -27.557 1.00 0.00 H new ATOM 0 HG21 VAL A 8 81.991 13.344 -28.549 1.00 0.00 H new ATOM 0 HG22 VAL A 8 81.885 11.596 -28.868 1.00 0.00 H new ATOM 0 HG23 VAL A 8 80.508 12.451 -28.135 1.00 0.00 H new ATOM 99 N LEU A 9 81.858 10.973 -23.898 1.00 0.00 N ATOM 100 CA LEU A 9 82.439 10.605 -22.618 1.00 0.00 C ATOM 101 C LEU A 9 82.280 9.089 -22.439 1.00 0.00 C ATOM 102 O LEU A 9 83.184 8.395 -21.958 1.00 0.00 O ATOM 103 CB LEU A 9 81.771 11.364 -21.467 1.00 0.00 C ATOM 104 CG LEU A 9 82.077 12.873 -21.560 1.00 0.00 C ATOM 105 CD1 LEU A 9 81.435 13.585 -20.366 1.00 0.00 C ATOM 106 CD2 LEU A 9 83.600 13.129 -21.543 1.00 0.00 C ATOM 0 H LEU A 9 81.140 11.696 -23.863 1.00 0.00 H new ATOM 0 HA LEU A 9 83.495 10.874 -22.603 1.00 0.00 H new ATOM 0 HB2 LEU A 9 80.693 11.204 -21.496 1.00 0.00 H new ATOM 0 HB3 LEU A 9 82.126 10.974 -20.513 1.00 0.00 H new ATOM 0 HG LEU A 9 81.671 13.255 -22.497 1.00 0.00 H new ATOM 0 HD11 LEU A 9 81.646 14.653 -20.423 1.00 0.00 H new ATOM 0 HD12 LEU A 9 80.357 13.427 -20.385 1.00 0.00 H new ATOM 0 HD13 LEU A 9 81.845 13.183 -19.439 1.00 0.00 H new ATOM 0 HD21 LEU A 9 83.790 14.200 -21.610 1.00 0.00 H new ATOM 0 HD22 LEU A 9 84.024 12.742 -20.616 1.00 0.00 H new ATOM 0 HD23 LEU A 9 84.063 12.625 -22.391 1.00 0.00 H new ATOM 118 N ALA A 10 81.138 8.564 -22.885 1.00 0.00 N ATOM 119 CA ALA A 10 80.912 7.128 -22.815 1.00 0.00 C ATOM 120 C ALA A 10 82.014 6.442 -23.613 1.00 0.00 C ATOM 121 O ALA A 10 82.527 5.388 -23.227 1.00 0.00 O ATOM 122 CB ALA A 10 79.529 6.774 -23.384 1.00 0.00 C ATOM 0 H ALA A 10 80.372 9.102 -23.290 1.00 0.00 H new ATOM 0 HA ALA A 10 80.936 6.791 -21.779 1.00 0.00 H new ATOM 0 HB1 ALA A 10 79.376 5.696 -23.324 1.00 0.00 H new ATOM 0 HB2 ALA A 10 78.757 7.283 -22.807 1.00 0.00 H new ATOM 0 HB3 ALA A 10 79.472 7.091 -24.425 1.00 0.00 H new ATOM 128 N GLY A 11 82.397 7.082 -24.718 1.00 0.00 N ATOM 129 CA GLY A 11 83.468 6.560 -25.552 1.00 0.00 C ATOM 130 C GLY A 11 84.752 6.497 -24.736 1.00 0.00 C ATOM 131 O GLY A 11 85.613 5.653 -24.972 1.00 0.00 O ATOM 0 H GLY A 11 81.984 7.953 -25.050 1.00 0.00 H new ATOM 0 HA2 GLY A 11 83.208 5.568 -25.920 1.00 0.00 H new ATOM 0 HA3 GLY A 11 83.609 7.197 -26.425 1.00 0.00 H new ATOM 135 N ILE A 12 84.857 7.398 -23.760 1.00 0.00 N ATOM 136 CA ILE A 12 86.031 7.442 -22.883 1.00 0.00 C ATOM 137 C ILE A 12 86.054 6.174 -22.037 1.00 0.00 C ATOM 138 O ILE A 12 87.106 5.576 -21.825 1.00 0.00 O ATOM 139 CB ILE A 12 86.003 8.738 -21.996 1.00 0.00 C ATOM 140 CG1 ILE A 12 87.352 9.486 -22.068 1.00 0.00 C ATOM 141 CG2 ILE A 12 85.694 8.433 -20.505 1.00 0.00 C ATOM 142 CD1 ILE A 12 87.157 10.931 -21.598 1.00 0.00 C ATOM 0 H ILE A 12 84.150 8.104 -23.556 1.00 0.00 H new ATOM 0 HA ILE A 12 86.945 7.484 -23.476 1.00 0.00 H new ATOM 0 HB ILE A 12 85.203 9.359 -22.399 1.00 0.00 H new ATOM 0 HG12 ILE A 12 88.092 8.985 -21.444 1.00 0.00 H new ATOM 0 HG13 ILE A 12 87.734 9.472 -23.089 1.00 0.00 H new ATOM 0 HG21 ILE A 12 85.687 9.363 -19.937 1.00 0.00 H new ATOM 0 HG22 ILE A 12 84.719 7.952 -20.426 1.00 0.00 H new ATOM 0 HG23 ILE A 12 86.459 7.769 -20.103 1.00 0.00 H new ATOM 0 HD11 ILE A 12 88.108 11.461 -21.648 1.00 0.00 H new ATOM 0 HD12 ILE A 12 86.430 11.428 -22.241 1.00 0.00 H new ATOM 0 HD13 ILE A 12 86.794 10.933 -20.570 1.00 0.00 H new ATOM 154 N VAL A 13 84.879 5.769 -21.566 1.00 0.00 N ATOM 155 CA VAL A 13 84.782 4.560 -20.756 1.00 0.00 C ATOM 156 C VAL A 13 85.264 3.362 -21.562 1.00 0.00 C ATOM 157 O VAL A 13 86.116 2.589 -21.108 1.00 0.00 O ATOM 158 CB VAL A 13 83.337 4.336 -20.302 1.00 0.00 C ATOM 159 CG1 VAL A 13 83.253 3.037 -19.499 1.00 0.00 C ATOM 160 CG2 VAL A 13 82.891 5.506 -19.424 1.00 0.00 C ATOM 0 H VAL A 13 83.994 6.251 -21.727 1.00 0.00 H new ATOM 0 HA VAL A 13 85.410 4.677 -19.873 1.00 0.00 H new ATOM 0 HB VAL A 13 82.688 4.269 -21.175 1.00 0.00 H new ATOM 0 HG11 VAL A 13 82.225 2.876 -19.175 1.00 0.00 H new ATOM 0 HG12 VAL A 13 83.572 2.202 -20.123 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.902 3.106 -18.626 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.862 5.347 -19.101 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.540 5.573 -18.551 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.953 6.433 -19.994 1.00 0.00 H new ATOM 170 N VAL A 14 84.732 3.222 -22.770 1.00 0.00 N ATOM 171 CA VAL A 14 85.138 2.120 -23.636 1.00 0.00 C ATOM 172 C VAL A 14 86.642 2.184 -23.879 1.00 0.00 C ATOM 173 O VAL A 14 87.341 1.171 -23.810 1.00 0.00 O ATOM 174 CB VAL A 14 84.398 2.199 -24.975 1.00 0.00 C ATOM 175 CG1 VAL A 14 84.920 1.109 -25.914 1.00 0.00 C ATOM 176 CG2 VAL A 14 82.899 1.996 -24.741 1.00 0.00 C ATOM 0 H VAL A 14 84.030 3.846 -23.168 1.00 0.00 H new ATOM 0 HA VAL A 14 84.888 1.178 -23.148 1.00 0.00 H new ATOM 0 HB VAL A 14 84.567 3.177 -25.426 1.00 0.00 H new ATOM 0 HG11 VAL A 14 84.393 1.166 -26.866 1.00 0.00 H new ATOM 0 HG12 VAL A 14 85.987 1.253 -26.081 1.00 0.00 H new ATOM 0 HG13 VAL A 14 84.752 0.130 -25.464 1.00 0.00 H new ATOM 0 HG21 VAL A 14 82.371 2.052 -25.693 1.00 0.00 H new ATOM 0 HG22 VAL A 14 82.730 1.018 -24.290 1.00 0.00 H new ATOM 0 HG23 VAL A 14 82.526 2.773 -24.073 1.00 0.00 H new ATOM 186 N GLY A 15 87.124 3.393 -24.158 1.00 0.00 N ATOM 187 CA GLY A 15 88.542 3.617 -24.413 1.00 0.00 C ATOM 188 C GLY A 15 89.390 3.155 -23.233 1.00 0.00 C ATOM 189 O GLY A 15 90.489 2.636 -23.412 1.00 0.00 O ATOM 0 H GLY A 15 86.550 4.234 -24.213 1.00 0.00 H new ATOM 0 HA2 GLY A 15 88.842 3.081 -25.313 1.00 0.00 H new ATOM 0 HA3 GLY A 15 88.719 4.676 -24.599 1.00 0.00 H new ATOM 193 N ASP A 16 88.872 3.355 -22.028 1.00 0.00 N ATOM 194 CA ASP A 16 89.588 2.964 -20.822 1.00 0.00 C ATOM 195 C ASP A 16 89.745 1.448 -20.759 1.00 0.00 C ATOM 196 O ASP A 16 90.839 0.934 -20.512 1.00 0.00 O ATOM 197 CB ASP A 16 88.826 3.454 -19.590 1.00 0.00 C ATOM 198 CG ASP A 16 89.696 3.315 -18.346 1.00 0.00 C ATOM 199 OD1 ASP A 16 90.598 2.494 -18.366 1.00 0.00 O ATOM 200 OD2 ASP A 16 89.446 4.032 -17.393 1.00 0.00 O ATOM 0 H ASP A 16 87.962 3.784 -21.861 1.00 0.00 H new ATOM 0 HA ASP A 16 90.579 3.416 -20.843 1.00 0.00 H new ATOM 0 HB2 ASP A 16 88.534 4.495 -19.724 1.00 0.00 H new ATOM 0 HB3 ASP A 16 87.908 2.878 -19.468 1.00 0.00 H new ATOM 205 N LEU A 17 88.643 0.736 -20.979 1.00 0.00 N ATOM 206 CA LEU A 17 88.675 -0.721 -20.937 1.00 0.00 C ATOM 207 C LEU A 17 89.726 -1.267 -21.904 1.00 0.00 C ATOM 208 O LEU A 17 90.579 -2.079 -21.522 1.00 0.00 O ATOM 209 CB LEU A 17 87.296 -1.283 -21.304 1.00 0.00 C ATOM 210 CG LEU A 17 87.261 -2.808 -21.093 1.00 0.00 C ATOM 211 CD1 LEU A 17 87.304 -3.148 -19.592 1.00 0.00 C ATOM 212 CD2 LEU A 17 85.974 -3.365 -21.710 1.00 0.00 C ATOM 0 H LEU A 17 87.729 1.138 -21.185 1.00 0.00 H new ATOM 0 HA LEU A 17 88.938 -1.031 -19.925 1.00 0.00 H new ATOM 0 HB2 LEU A 17 86.529 -0.808 -20.693 1.00 0.00 H new ATOM 0 HB3 LEU A 17 87.066 -1.048 -22.343 1.00 0.00 H new ATOM 0 HG LEU A 17 88.131 -3.256 -21.573 1.00 0.00 H new ATOM 0 HD11 LEU A 17 87.278 -4.230 -19.463 1.00 0.00 H new ATOM 0 HD12 LEU A 17 88.221 -2.752 -19.155 1.00 0.00 H new ATOM 0 HD13 LEU A 17 86.443 -2.703 -19.093 1.00 0.00 H new ATOM 0 HD21 LEU A 17 85.939 -4.445 -21.566 1.00 0.00 H new ATOM 0 HD22 LEU A 17 85.111 -2.907 -21.227 1.00 0.00 H new ATOM 0 HD23 LEU A 17 85.955 -3.140 -22.776 1.00 0.00 H new ATOM 224 N VAL A 18 89.669 -0.824 -23.157 1.00 0.00 N ATOM 225 CA VAL A 18 90.628 -1.297 -24.146 1.00 0.00 C ATOM 226 C VAL A 18 92.042 -0.862 -23.780 1.00 0.00 C ATOM 227 O VAL A 18 92.997 -1.539 -24.125 1.00 0.00 O ATOM 228 CB VAL A 18 90.277 -0.782 -25.544 1.00 0.00 C ATOM 229 CG1 VAL A 18 88.955 -1.401 -26.000 1.00 0.00 C ATOM 230 CG2 VAL A 18 90.138 0.733 -25.501 1.00 0.00 C ATOM 0 H VAL A 18 88.984 -0.153 -23.505 1.00 0.00 H new ATOM 0 HA VAL A 18 90.582 -2.386 -24.153 1.00 0.00 H new ATOM 0 HB VAL A 18 91.066 -1.058 -26.243 1.00 0.00 H new ATOM 0 HG11 VAL A 18 88.706 -1.034 -26.996 1.00 0.00 H new ATOM 0 HG12 VAL A 18 89.052 -2.486 -26.027 1.00 0.00 H new ATOM 0 HG13 VAL A 18 88.164 -1.125 -25.303 1.00 0.00 H new ATOM 0 HG21 VAL A 18 89.888 1.104 -26.495 1.00 0.00 H new ATOM 0 HG22 VAL A 18 89.347 1.006 -24.802 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.079 1.176 -25.175 1.00 0.00 H new ATOM 240 N LEU A 19 92.175 0.267 -23.081 1.00 0.00 N ATOM 241 CA LEU A 19 93.505 0.744 -22.694 1.00 0.00 C ATOM 242 C LEU A 19 94.189 -0.289 -21.794 1.00 0.00 C ATOM 243 O LEU A 19 95.283 -0.777 -22.106 1.00 0.00 O ATOM 244 CB LEU A 19 93.383 2.093 -21.957 1.00 0.00 C ATOM 245 CG LEU A 19 94.652 2.944 -22.153 1.00 0.00 C ATOM 246 CD1 LEU A 19 95.883 2.134 -21.735 1.00 0.00 C ATOM 247 CD2 LEU A 19 94.790 3.392 -23.627 1.00 0.00 C ATOM 0 H LEU A 19 91.400 0.856 -22.777 1.00 0.00 H new ATOM 0 HA LEU A 19 94.109 0.884 -23.590 1.00 0.00 H new ATOM 0 HB2 LEU A 19 92.515 2.637 -22.328 1.00 0.00 H new ATOM 0 HB3 LEU A 19 93.219 1.917 -20.894 1.00 0.00 H new ATOM 0 HG LEU A 19 94.574 3.835 -21.530 1.00 0.00 H new ATOM 0 HD11 LEU A 19 96.780 2.737 -21.874 1.00 0.00 H new ATOM 0 HD12 LEU A 19 95.794 1.853 -20.686 1.00 0.00 H new ATOM 0 HD13 LEU A 19 95.952 1.235 -22.347 1.00 0.00 H new ATOM 0 HD21 LEU A 19 95.693 3.992 -23.742 1.00 0.00 H new ATOM 0 HD22 LEU A 19 94.853 2.514 -24.270 1.00 0.00 H new ATOM 0 HD23 LEU A 19 93.921 3.987 -23.909 1.00 0.00 H new ATOM 259 N THR A 20 93.532 -0.629 -20.685 1.00 0.00 N ATOM 260 CA THR A 20 94.080 -1.612 -19.762 1.00 0.00 C ATOM 261 C THR A 20 94.387 -2.915 -20.493 1.00 0.00 C ATOM 262 O THR A 20 95.420 -3.542 -20.258 1.00 0.00 O ATOM 263 CB THR A 20 93.077 -1.885 -18.641 1.00 0.00 C ATOM 264 OG1 THR A 20 92.637 -0.650 -18.095 1.00 0.00 O ATOM 265 CG2 THR A 20 93.740 -2.726 -17.548 1.00 0.00 C ATOM 0 H THR A 20 92.630 -0.241 -20.409 1.00 0.00 H new ATOM 0 HA THR A 20 95.003 -1.215 -19.340 1.00 0.00 H new ATOM 0 HB THR A 20 92.223 -2.431 -19.041 1.00 0.00 H new ATOM 0 HG1 THR A 20 91.881 -0.810 -17.492 1.00 0.00 H new ATOM 0 HG21 THR A 20 93.022 -2.918 -16.751 1.00 0.00 H new ATOM 0 HG22 THR A 20 94.075 -3.673 -17.971 1.00 0.00 H new ATOM 0 HG23 THR A 20 94.596 -2.186 -17.143 1.00 0.00 H new ATOM 273 N VAL A 21 93.474 -3.325 -21.368 1.00 0.00 N ATOM 274 CA VAL A 21 93.653 -4.567 -22.116 1.00 0.00 C ATOM 275 C VAL A 21 94.815 -4.471 -23.110 1.00 0.00 C ATOM 276 O VAL A 21 95.436 -5.481 -23.440 1.00 0.00 O ATOM 277 CB VAL A 21 92.367 -4.903 -22.870 1.00 0.00 C ATOM 278 CG1 VAL A 21 92.575 -6.170 -23.701 1.00 0.00 C ATOM 279 CG2 VAL A 21 91.235 -5.133 -21.865 1.00 0.00 C ATOM 0 H VAL A 21 92.611 -2.822 -21.576 1.00 0.00 H new ATOM 0 HA VAL A 21 93.887 -5.355 -21.400 1.00 0.00 H new ATOM 0 HB VAL A 21 92.107 -4.076 -23.531 1.00 0.00 H new ATOM 0 HG11 VAL A 21 91.657 -6.408 -24.238 1.00 0.00 H new ATOM 0 HG12 VAL A 21 93.382 -6.008 -24.416 1.00 0.00 H new ATOM 0 HG13 VAL A 21 92.835 -6.999 -23.042 1.00 0.00 H new ATOM 0 HG21 VAL A 21 90.316 -5.373 -22.400 1.00 0.00 H new ATOM 0 HG22 VAL A 21 91.497 -5.960 -21.205 1.00 0.00 H new ATOM 0 HG23 VAL A 21 91.085 -4.230 -21.273 1.00 0.00 H new ATOM 289 N LEU A 22 95.088 -3.267 -23.603 1.00 0.00 N ATOM 290 CA LEU A 22 96.160 -3.078 -24.578 1.00 0.00 C ATOM 291 C LEU A 22 97.531 -3.261 -23.933 1.00 0.00 C ATOM 292 O LEU A 22 98.346 -4.050 -24.410 1.00 0.00 O ATOM 293 CB LEU A 22 96.057 -1.671 -25.206 1.00 0.00 C ATOM 294 CG LEU A 22 96.622 -1.658 -26.643 1.00 0.00 C ATOM 295 CD1 LEU A 22 98.047 -2.218 -26.653 1.00 0.00 C ATOM 296 CD2 LEU A 22 95.726 -2.488 -27.591 1.00 0.00 C ATOM 0 H LEU A 22 94.589 -2.415 -23.348 1.00 0.00 H new ATOM 0 HA LEU A 22 96.048 -3.832 -25.357 1.00 0.00 H new ATOM 0 HB2 LEU A 22 95.015 -1.351 -25.219 1.00 0.00 H new ATOM 0 HB3 LEU A 22 96.602 -0.955 -24.591 1.00 0.00 H new ATOM 0 HG LEU A 22 96.639 -0.627 -26.995 1.00 0.00 H new ATOM 0 HD11 LEU A 22 98.436 -2.204 -27.671 1.00 0.00 H new ATOM 0 HD12 LEU A 22 98.683 -1.606 -26.013 1.00 0.00 H new ATOM 0 HD13 LEU A 22 98.038 -3.243 -26.282 1.00 0.00 H new ATOM 0 HD21 LEU A 22 96.143 -2.465 -28.598 1.00 0.00 H new ATOM 0 HD22 LEU A 22 95.682 -3.519 -27.240 1.00 0.00 H new ATOM 0 HD23 LEU A 22 94.721 -2.066 -27.604 1.00 0.00 H new ATOM 308 N ILE A 23 97.795 -2.530 -22.853 1.00 0.00 N ATOM 309 CA ILE A 23 99.089 -2.646 -22.193 1.00 0.00 C ATOM 310 C ILE A 23 99.252 -4.035 -21.582 1.00 0.00 C ATOM 311 O ILE A 23 100.314 -4.649 -21.692 1.00 0.00 O ATOM 312 CB ILE A 23 99.239 -1.570 -21.114 1.00 0.00 C ATOM 313 CG1 ILE A 23 98.867 -0.204 -21.704 1.00 0.00 C ATOM 314 CG2 ILE A 23 100.696 -1.531 -20.635 1.00 0.00 C ATOM 315 CD1 ILE A 23 99.200 0.900 -20.696 1.00 0.00 C ATOM 0 H ILE A 23 97.148 -1.867 -22.426 1.00 0.00 H new ATOM 0 HA ILE A 23 99.870 -2.500 -22.939 1.00 0.00 H new ATOM 0 HB ILE A 23 98.582 -1.800 -20.275 1.00 0.00 H new ATOM 0 HG12 ILE A 23 99.412 -0.038 -22.633 1.00 0.00 H new ATOM 0 HG13 ILE A 23 97.805 -0.179 -21.948 1.00 0.00 H new ATOM 0 HG21 ILE A 23 100.806 -0.766 -19.867 1.00 0.00 H new ATOM 0 HG22 ILE A 23 100.969 -2.502 -20.222 1.00 0.00 H new ATOM 0 HG23 ILE A 23 101.349 -1.298 -21.476 1.00 0.00 H new ATOM 0 HD11 ILE A 23 98.935 1.870 -21.118 1.00 0.00 H new ATOM 0 HD12 ILE A 23 98.636 0.737 -19.778 1.00 0.00 H new ATOM 0 HD13 ILE A 23 100.267 0.880 -20.474 1.00 0.00 H new ATOM 327 N ALA A 24 98.192 -4.528 -20.947 1.00 0.00 N ATOM 328 CA ALA A 24 98.232 -5.849 -20.329 1.00 0.00 C ATOM 329 C ALA A 24 98.495 -6.922 -21.382 1.00 0.00 C ATOM 330 O ALA A 24 99.239 -7.874 -21.145 1.00 0.00 O ATOM 331 CB ALA A 24 96.905 -6.137 -19.627 1.00 0.00 C ATOM 0 H ALA A 24 97.303 -4.038 -20.848 1.00 0.00 H new ATOM 0 HA ALA A 24 99.040 -5.865 -19.598 1.00 0.00 H new ATOM 0 HB1 ALA A 24 96.943 -7.125 -19.168 1.00 0.00 H new ATOM 0 HB2 ALA A 24 96.730 -5.386 -18.857 1.00 0.00 H new ATOM 0 HB3 ALA A 24 96.094 -6.106 -20.355 1.00 0.00 H new ATOM 337 N LEU A 25 97.881 -6.758 -22.547 1.00 0.00 N ATOM 338 CA LEU A 25 98.058 -7.713 -23.633 1.00 0.00 C ATOM 339 C LEU A 25 99.479 -7.625 -24.180 1.00 0.00 C ATOM 340 O LEU A 25 100.083 -8.636 -24.539 1.00 0.00 O ATOM 341 CB LEU A 25 97.045 -7.420 -24.749 1.00 0.00 C ATOM 342 CG LEU A 25 97.306 -8.316 -25.969 1.00 0.00 C ATOM 343 CD1 LEU A 25 97.321 -9.793 -25.550 1.00 0.00 C ATOM 344 CD2 LEU A 25 96.194 -8.089 -26.997 1.00 0.00 C ATOM 0 H LEU A 25 97.260 -5.978 -22.763 1.00 0.00 H new ATOM 0 HA LEU A 25 97.890 -8.721 -23.254 1.00 0.00 H new ATOM 0 HB2 LEU A 25 96.033 -7.585 -24.380 1.00 0.00 H new ATOM 0 HB3 LEU A 25 97.111 -6.372 -25.041 1.00 0.00 H new ATOM 0 HG LEU A 25 98.274 -8.064 -26.401 1.00 0.00 H new ATOM 0 HD11 LEU A 25 97.507 -10.417 -26.424 1.00 0.00 H new ATOM 0 HD12 LEU A 25 98.109 -9.955 -24.814 1.00 0.00 H new ATOM 0 HD13 LEU A 25 96.358 -10.057 -25.114 1.00 0.00 H new ATOM 0 HD21 LEU A 25 96.369 -8.720 -27.868 1.00 0.00 H new ATOM 0 HD22 LEU A 25 95.231 -8.342 -26.553 1.00 0.00 H new ATOM 0 HD23 LEU A 25 96.189 -7.043 -27.303 1.00 0.00 H new ATOM 356 N ALA A 26 100.006 -6.407 -24.240 1.00 0.00 N ATOM 357 CA ALA A 26 101.355 -6.190 -24.747 1.00 0.00 C ATOM 358 C ALA A 26 102.376 -6.975 -23.930 1.00 0.00 C ATOM 359 O ALA A 26 103.206 -7.694 -24.487 1.00 0.00 O ATOM 360 CB ALA A 26 101.698 -4.700 -24.697 1.00 0.00 C ATOM 0 H ALA A 26 99.522 -5.559 -23.945 1.00 0.00 H new ATOM 0 HA ALA A 26 101.391 -6.540 -25.779 1.00 0.00 H new ATOM 0 HB1 ALA A 26 102.708 -4.546 -25.078 1.00 0.00 H new ATOM 0 HB2 ALA A 26 100.990 -4.143 -25.311 1.00 0.00 H new ATOM 0 HB3 ALA A 26 101.641 -4.348 -23.667 1.00 0.00 H new ATOM 366 N VAL A 27 102.314 -6.836 -22.609 1.00 0.00 N ATOM 367 CA VAL A 27 103.249 -7.544 -21.741 1.00 0.00 C ATOM 368 C VAL A 27 102.994 -9.048 -21.789 1.00 0.00 C ATOM 369 O VAL A 27 103.929 -9.845 -21.725 1.00 0.00 O ATOM 370 CB VAL A 27 103.119 -7.044 -20.301 1.00 0.00 C ATOM 371 CG1 VAL A 27 103.578 -5.588 -20.224 1.00 0.00 C ATOM 372 CG2 VAL A 27 101.660 -7.136 -19.859 1.00 0.00 C ATOM 0 H VAL A 27 101.637 -6.249 -22.122 1.00 0.00 H new ATOM 0 HA VAL A 27 104.260 -7.348 -22.098 1.00 0.00 H new ATOM 0 HB VAL A 27 103.738 -7.658 -19.648 1.00 0.00 H new ATOM 0 HG11 VAL A 27 103.486 -5.231 -19.198 1.00 0.00 H new ATOM 0 HG12 VAL A 27 104.619 -5.517 -20.540 1.00 0.00 H new ATOM 0 HG13 VAL A 27 102.957 -4.976 -20.878 1.00 0.00 H new ATOM 0 HG21 VAL A 27 101.567 -6.780 -18.833 1.00 0.00 H new ATOM 0 HG22 VAL A 27 101.042 -6.521 -20.514 1.00 0.00 H new ATOM 0 HG23 VAL A 27 101.328 -8.173 -19.914 1.00 0.00 H new ATOM 382 N TYR A 28 101.725 -9.430 -21.905 1.00 0.00 N ATOM 383 CA TYR A 28 101.371 -10.844 -21.963 1.00 0.00 C ATOM 384 C TYR A 28 102.031 -11.512 -23.166 1.00 0.00 C ATOM 385 O TYR A 28 102.533 -12.630 -23.069 1.00 0.00 O ATOM 386 CB TYR A 28 99.851 -11.002 -22.059 1.00 0.00 C ATOM 387 CG TYR A 28 99.505 -12.468 -22.169 1.00 0.00 C ATOM 388 CD1 TYR A 28 99.468 -13.087 -23.424 1.00 0.00 C ATOM 389 CD2 TYR A 28 99.221 -13.209 -21.015 1.00 0.00 C ATOM 390 CE1 TYR A 28 99.146 -14.445 -23.526 1.00 0.00 C ATOM 391 CE2 TYR A 28 98.900 -14.568 -21.117 1.00 0.00 C ATOM 392 CZ TYR A 28 98.863 -15.186 -22.372 1.00 0.00 C ATOM 393 OH TYR A 28 98.547 -16.526 -22.473 1.00 0.00 O ATOM 0 H TYR A 28 100.934 -8.789 -21.960 1.00 0.00 H new ATOM 0 HA TYR A 28 101.728 -11.325 -21.052 1.00 0.00 H new ATOM 0 HB2 TYR A 28 99.373 -10.569 -21.180 1.00 0.00 H new ATOM 0 HB3 TYR A 28 99.472 -10.462 -22.926 1.00 0.00 H new ATOM 0 HD1 TYR A 28 99.688 -12.516 -24.314 1.00 0.00 H new ATOM 0 HD2 TYR A 28 99.250 -12.732 -20.046 1.00 0.00 H new ATOM 0 HE1 TYR A 28 99.116 -14.922 -24.495 1.00 0.00 H new ATOM 0 HE2 TYR A 28 98.681 -15.139 -20.227 1.00 0.00 H new ATOM 0 HH TYR A 28 98.380 -16.891 -21.579 1.00 0.00 H new ATOM 403 N PHE A 29 102.024 -10.816 -24.299 1.00 0.00 N ATOM 404 CA PHE A 29 102.626 -11.350 -25.516 1.00 0.00 C ATOM 405 C PHE A 29 104.136 -11.494 -25.353 1.00 0.00 C ATOM 406 O PHE A 29 104.732 -12.460 -25.828 1.00 0.00 O ATOM 407 CB PHE A 29 102.329 -10.422 -26.695 1.00 0.00 C ATOM 408 CG PHE A 29 102.775 -11.079 -27.981 1.00 0.00 C ATOM 409 CD1 PHE A 29 104.089 -10.912 -28.433 1.00 0.00 C ATOM 410 CD2 PHE A 29 101.873 -11.854 -28.720 1.00 0.00 C ATOM 411 CE1 PHE A 29 104.502 -11.521 -29.625 1.00 0.00 C ATOM 412 CE2 PHE A 29 102.286 -12.463 -29.911 1.00 0.00 C ATOM 413 CZ PHE A 29 103.600 -12.296 -30.363 1.00 0.00 C ATOM 0 H PHE A 29 101.612 -9.888 -24.400 1.00 0.00 H new ATOM 0 HA PHE A 29 102.197 -12.334 -25.707 1.00 0.00 H new ATOM 0 HB2 PHE A 29 101.262 -10.202 -26.738 1.00 0.00 H new ATOM 0 HB3 PHE A 29 102.846 -9.471 -26.562 1.00 0.00 H new ATOM 0 HD1 PHE A 29 104.784 -10.314 -27.863 1.00 0.00 H new ATOM 0 HD2 PHE A 29 100.859 -11.982 -28.371 1.00 0.00 H new ATOM 0 HE1 PHE A 29 105.516 -11.393 -29.974 1.00 0.00 H new ATOM 0 HE2 PHE A 29 101.591 -13.062 -30.481 1.00 0.00 H new ATOM 0 HZ PHE A 29 103.918 -12.766 -31.282 1.00 0.00 H new ATOM 423 N LEU A 30 104.748 -10.524 -24.681 1.00 0.00 N ATOM 424 CA LEU A 30 106.191 -10.548 -24.466 1.00 0.00 C ATOM 425 C LEU A 30 106.597 -11.802 -23.695 1.00 0.00 C ATOM 426 O LEU A 30 107.589 -12.452 -24.027 1.00 0.00 O ATOM 427 CB LEU A 30 106.616 -9.296 -23.688 1.00 0.00 C ATOM 428 CG LEU A 30 108.144 -9.259 -23.518 1.00 0.00 C ATOM 429 CD1 LEU A 30 108.833 -9.166 -24.891 1.00 0.00 C ATOM 430 CD2 LEU A 30 108.518 -8.037 -22.672 1.00 0.00 C ATOM 0 H LEU A 30 104.272 -9.717 -24.278 1.00 0.00 H new ATOM 0 HA LEU A 30 106.691 -10.561 -25.435 1.00 0.00 H new ATOM 0 HB2 LEU A 30 106.281 -8.402 -24.215 1.00 0.00 H new ATOM 0 HB3 LEU A 30 106.135 -9.288 -22.710 1.00 0.00 H new ATOM 0 HG LEU A 30 108.475 -10.173 -23.024 1.00 0.00 H new ATOM 0 HD11 LEU A 30 109.914 -9.141 -24.755 1.00 0.00 H new ATOM 0 HD12 LEU A 30 108.563 -10.034 -25.493 1.00 0.00 H new ATOM 0 HD13 LEU A 30 108.510 -8.257 -25.399 1.00 0.00 H new ATOM 0 HD21 LEU A 30 109.600 -8.000 -22.544 1.00 0.00 H new ATOM 0 HD22 LEU A 30 108.181 -7.130 -23.174 1.00 0.00 H new ATOM 0 HD23 LEU A 30 108.040 -8.111 -21.695 1.00 0.00 H new ATOM 523 N GLU A 37 104.925 -15.786 -11.431 1.00 0.00 N ATOM 524 CA GLU A 37 104.601 -14.500 -10.821 1.00 0.00 C ATOM 525 C GLU A 37 103.576 -13.753 -11.668 1.00 0.00 C ATOM 526 O GLU A 37 103.467 -12.529 -11.594 1.00 0.00 O ATOM 527 CB GLU A 37 105.868 -13.654 -10.681 1.00 0.00 C ATOM 528 CG GLU A 37 106.831 -14.333 -9.706 1.00 0.00 C ATOM 529 CD GLU A 37 106.258 -14.295 -8.294 1.00 0.00 C ATOM 530 OE1 GLU A 37 105.503 -13.381 -8.007 1.00 0.00 O ATOM 531 OE2 GLU A 37 106.583 -15.180 -7.519 1.00 0.00 O ATOM 0 HA GLU A 37 104.177 -14.681 -9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 37 106.345 -13.531 -11.653 1.00 0.00 H new ATOM 0 HB3 GLU A 37 105.614 -12.657 -10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 37 107.001 -15.366 -10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 37 107.798 -13.831 -9.728 1.00 0.00 H new ATOM 538 N VAL A 38 102.828 -14.500 -12.471 1.00 0.00 N ATOM 539 CA VAL A 38 101.812 -13.907 -13.332 1.00 0.00 C ATOM 540 C VAL A 38 100.650 -13.365 -12.503 1.00 0.00 C ATOM 541 O VAL A 38 99.920 -12.478 -12.946 1.00 0.00 O ATOM 542 CB VAL A 38 101.294 -14.948 -14.327 1.00 0.00 C ATOM 543 CG1 VAL A 38 102.457 -15.460 -15.179 1.00 0.00 C ATOM 544 CG2 VAL A 38 100.670 -16.117 -13.565 1.00 0.00 C ATOM 0 H VAL A 38 102.905 -15.514 -12.544 1.00 0.00 H new ATOM 0 HA VAL A 38 102.267 -13.080 -13.878 1.00 0.00 H new ATOM 0 HB VAL A 38 100.542 -14.492 -14.971 1.00 0.00 H new ATOM 0 HG11 VAL A 38 102.090 -16.202 -15.888 1.00 0.00 H new ATOM 0 HG12 VAL A 38 102.904 -14.628 -15.723 1.00 0.00 H new ATOM 0 HG13 VAL A 38 103.208 -15.916 -14.534 1.00 0.00 H new ATOM 0 HG21 VAL A 38 100.301 -16.858 -14.274 1.00 0.00 H new ATOM 0 HG22 VAL A 38 101.421 -16.574 -12.921 1.00 0.00 H new ATOM 0 HG23 VAL A 38 99.842 -15.754 -12.956 1.00 0.00 H new ATOM 554 N LEU A 39 100.477 -13.911 -11.304 1.00 0.00 N ATOM 555 CA LEU A 39 99.393 -13.482 -10.426 1.00 0.00 C ATOM 556 C LEU A 39 99.315 -11.956 -10.374 1.00 0.00 C ATOM 557 O LEU A 39 98.228 -11.385 -10.294 1.00 0.00 O ATOM 558 CB LEU A 39 99.613 -14.031 -9.010 1.00 0.00 C ATOM 559 CG LEU A 39 99.254 -15.521 -8.959 1.00 0.00 C ATOM 560 CD1 LEU A 39 100.251 -16.331 -9.796 1.00 0.00 C ATOM 561 CD2 LEU A 39 99.302 -16.000 -7.505 1.00 0.00 C ATOM 0 H LEU A 39 101.069 -14.647 -10.919 1.00 0.00 H new ATOM 0 HA LEU A 39 98.456 -13.871 -10.825 1.00 0.00 H new ATOM 0 HB2 LEU A 39 100.653 -13.889 -8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 39 99.001 -13.477 -8.298 1.00 0.00 H new ATOM 0 HG LEU A 39 98.252 -15.664 -9.364 1.00 0.00 H new ATOM 0 HD11 LEU A 39 99.988 -17.388 -9.753 1.00 0.00 H new ATOM 0 HD12 LEU A 39 100.219 -15.990 -10.831 1.00 0.00 H new ATOM 0 HD13 LEU A 39 101.257 -16.191 -9.400 1.00 0.00 H new ATOM 0 HD21 LEU A 39 99.048 -17.059 -7.462 1.00 0.00 H new ATOM 0 HD22 LEU A 39 100.305 -15.851 -7.106 1.00 0.00 H new ATOM 0 HD23 LEU A 39 98.587 -15.431 -6.911 1.00 0.00 H new ATOM 573 N GLY A 40 100.471 -11.301 -10.419 1.00 0.00 N ATOM 574 CA GLY A 40 100.511 -9.843 -10.374 1.00 0.00 C ATOM 575 C GLY A 40 99.680 -9.239 -11.500 1.00 0.00 C ATOM 576 O GLY A 40 98.892 -8.318 -11.280 1.00 0.00 O ATOM 0 H GLY A 40 101.384 -11.751 -10.486 1.00 0.00 H new ATOM 0 HA2 GLY A 40 100.134 -9.495 -9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 40 101.543 -9.501 -10.455 1.00 0.00 H new ATOM 580 N ILE A 41 99.860 -9.765 -12.708 1.00 0.00 N ATOM 581 CA ILE A 41 99.122 -9.271 -13.867 1.00 0.00 C ATOM 582 C ILE A 41 97.618 -9.414 -13.647 1.00 0.00 C ATOM 583 O ILE A 41 96.833 -8.549 -14.042 1.00 0.00 O ATOM 584 CB ILE A 41 99.532 -10.050 -15.118 1.00 0.00 C ATOM 585 CG1 ILE A 41 101.055 -10.003 -15.273 1.00 0.00 C ATOM 586 CG2 ILE A 41 98.877 -9.422 -16.349 1.00 0.00 C ATOM 587 CD1 ILE A 41 101.481 -10.925 -16.418 1.00 0.00 C ATOM 0 H ILE A 41 100.506 -10.528 -12.910 1.00 0.00 H new ATOM 0 HA ILE A 41 99.359 -8.216 -14.002 1.00 0.00 H new ATOM 0 HB ILE A 41 99.207 -11.086 -15.022 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.379 -8.982 -15.474 1.00 0.00 H new ATOM 0 HG13 ILE A 41 101.535 -10.313 -14.345 1.00 0.00 H new ATOM 0 HG21 ILE A 41 99.170 -9.977 -17.240 1.00 0.00 H new ATOM 0 HG22 ILE A 41 97.793 -9.455 -16.241 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.201 -8.386 -16.445 1.00 0.00 H new ATOM 0 HD11 ILE A 41 102.565 -10.891 -16.528 1.00 0.00 H new ATOM 0 HD12 ILE A 41 101.170 -11.946 -16.198 1.00 0.00 H new ATOM 0 HD13 ILE A 41 101.012 -10.595 -17.345 1.00 0.00 H new ATOM 599 N ILE A 42 97.223 -10.513 -13.020 1.00 0.00 N ATOM 600 CA ILE A 42 95.813 -10.763 -12.754 1.00 0.00 C ATOM 601 C ILE A 42 95.274 -9.757 -11.740 1.00 0.00 C ATOM 602 O ILE A 42 94.146 -9.284 -11.861 1.00 0.00 O ATOM 603 CB ILE A 42 95.629 -12.184 -12.215 1.00 0.00 C ATOM 604 CG1 ILE A 42 96.423 -13.174 -13.079 1.00 0.00 C ATOM 605 CG2 ILE A 42 94.146 -12.558 -12.243 1.00 0.00 C ATOM 606 CD1 ILE A 42 96.087 -12.971 -14.561 1.00 0.00 C ATOM 0 H ILE A 42 97.854 -11.242 -12.688 1.00 0.00 H new ATOM 0 HA ILE A 42 95.259 -10.654 -13.687 1.00 0.00 H new ATOM 0 HB ILE A 42 95.994 -12.227 -11.189 1.00 0.00 H new ATOM 0 HG12 ILE A 42 97.492 -13.032 -12.918 1.00 0.00 H new ATOM 0 HG13 ILE A 42 96.189 -14.196 -12.782 1.00 0.00 H new ATOM 0 HG21 ILE A 42 94.019 -13.570 -11.859 1.00 0.00 H new ATOM 0 HG22 ILE A 42 93.583 -11.861 -11.622 1.00 0.00 H new ATOM 0 HG23 ILE A 42 93.778 -12.510 -13.268 1.00 0.00 H new ATOM 0 HD11 ILE A 42 96.656 -13.679 -15.163 1.00 0.00 H new ATOM 0 HD12 ILE A 42 95.021 -13.136 -14.718 1.00 0.00 H new ATOM 0 HD13 ILE A 42 96.344 -11.954 -14.856 1.00 0.00 H new ATOM 618 N SER A 43 96.088 -9.444 -10.737 1.00 0.00 N ATOM 619 CA SER A 43 95.681 -8.503 -9.699 1.00 0.00 C ATOM 620 C SER A 43 95.389 -7.119 -10.277 1.00 0.00 C ATOM 621 O SER A 43 94.328 -6.546 -10.029 1.00 0.00 O ATOM 622 CB SER A 43 96.783 -8.387 -8.647 1.00 0.00 C ATOM 623 OG SER A 43 96.378 -7.468 -7.641 1.00 0.00 O ATOM 0 H SER A 43 97.027 -9.825 -10.621 1.00 0.00 H new ATOM 0 HA SER A 43 94.766 -8.884 -9.245 1.00 0.00 H new ATOM 0 HB2 SER A 43 96.983 -9.363 -8.205 1.00 0.00 H new ATOM 0 HB3 SER A 43 97.710 -8.051 -9.111 1.00 0.00 H new ATOM 0 HG SER A 43 97.082 -7.393 -6.964 1.00 0.00 H new ATOM 629 N ILE A 44 96.336 -6.580 -11.040 1.00 0.00 N ATOM 630 CA ILE A 44 96.155 -5.253 -11.626 1.00 0.00 C ATOM 631 C ILE A 44 94.952 -5.233 -12.571 1.00 0.00 C ATOM 632 O ILE A 44 94.130 -4.312 -12.525 1.00 0.00 O ATOM 633 CB ILE A 44 97.429 -4.823 -12.367 1.00 0.00 C ATOM 634 CG1 ILE A 44 97.843 -5.915 -13.359 1.00 0.00 C ATOM 635 CG2 ILE A 44 98.562 -4.606 -11.358 1.00 0.00 C ATOM 636 CD1 ILE A 44 99.219 -5.596 -13.963 1.00 0.00 C ATOM 0 H ILE A 44 97.223 -7.031 -11.265 1.00 0.00 H new ATOM 0 HA ILE A 44 95.962 -4.545 -10.820 1.00 0.00 H new ATOM 0 HB ILE A 44 97.233 -3.895 -12.905 1.00 0.00 H new ATOM 0 HG12 ILE A 44 97.875 -6.881 -12.854 1.00 0.00 H new ATOM 0 HG13 ILE A 44 97.100 -5.995 -14.153 1.00 0.00 H new ATOM 0 HG21 ILE A 44 99.466 -4.301 -11.886 1.00 0.00 H new ATOM 0 HG22 ILE A 44 98.275 -3.828 -10.650 1.00 0.00 H new ATOM 0 HG23 ILE A 44 98.752 -5.534 -10.819 1.00 0.00 H new ATOM 0 HD11 ILE A 44 99.499 -6.381 -14.665 1.00 0.00 H new ATOM 0 HD12 ILE A 44 99.174 -4.640 -14.486 1.00 0.00 H new ATOM 0 HD13 ILE A 44 99.962 -5.540 -13.167 1.00 0.00 H new ATOM 648 N VAL A 45 94.835 -6.255 -13.415 1.00 0.00 N ATOM 649 CA VAL A 45 93.709 -6.326 -14.342 1.00 0.00 C ATOM 650 C VAL A 45 92.394 -6.275 -13.564 1.00 0.00 C ATOM 651 O VAL A 45 91.453 -5.581 -13.953 1.00 0.00 O ATOM 652 CB VAL A 45 93.783 -7.623 -15.161 1.00 0.00 C ATOM 653 CG1 VAL A 45 92.471 -7.838 -15.925 1.00 0.00 C ATOM 654 CG2 VAL A 45 94.936 -7.529 -16.164 1.00 0.00 C ATOM 0 H VAL A 45 95.493 -7.032 -13.477 1.00 0.00 H new ATOM 0 HA VAL A 45 93.755 -5.476 -15.023 1.00 0.00 H new ATOM 0 HB VAL A 45 93.948 -8.460 -14.483 1.00 0.00 H new ATOM 0 HG11 VAL A 45 92.533 -8.760 -16.503 1.00 0.00 H new ATOM 0 HG12 VAL A 45 91.645 -7.908 -15.217 1.00 0.00 H new ATOM 0 HG13 VAL A 45 92.301 -6.998 -16.599 1.00 0.00 H new ATOM 0 HG21 VAL A 45 94.989 -8.450 -16.745 1.00 0.00 H new ATOM 0 HG22 VAL A 45 94.768 -6.686 -16.834 1.00 0.00 H new ATOM 0 HG23 VAL A 45 95.874 -7.385 -15.628 1.00 0.00 H new ATOM 664 N LEU A 46 92.340 -7.021 -12.467 1.00 0.00 N ATOM 665 CA LEU A 46 91.140 -7.065 -11.642 1.00 0.00 C ATOM 666 C LEU A 46 90.859 -5.707 -11.004 1.00 0.00 C ATOM 667 O LEU A 46 89.701 -5.344 -10.806 1.00 0.00 O ATOM 668 CB LEU A 46 91.292 -8.125 -10.547 1.00 0.00 C ATOM 669 CG LEU A 46 91.200 -9.533 -11.157 1.00 0.00 C ATOM 670 CD1 LEU A 46 91.701 -10.555 -10.132 1.00 0.00 C ATOM 671 CD2 LEU A 46 89.743 -9.866 -11.547 1.00 0.00 C ATOM 0 H LEU A 46 93.109 -7.600 -12.130 1.00 0.00 H new ATOM 0 HA LEU A 46 90.300 -7.324 -12.286 1.00 0.00 H new ATOM 0 HB2 LEU A 46 92.250 -8.001 -10.041 1.00 0.00 H new ATOM 0 HB3 LEU A 46 90.515 -7.995 -9.794 1.00 0.00 H new ATOM 0 HG LEU A 46 91.815 -9.570 -12.056 1.00 0.00 H new ATOM 0 HD11 LEU A 46 91.639 -11.557 -10.557 1.00 0.00 H new ATOM 0 HD12 LEU A 46 92.737 -10.334 -9.874 1.00 0.00 H new ATOM 0 HD13 LEU A 46 91.084 -10.503 -9.235 1.00 0.00 H new ATOM 0 HD21 LEU A 46 89.701 -10.867 -11.977 1.00 0.00 H new ATOM 0 HD22 LEU A 46 89.111 -9.825 -10.660 1.00 0.00 H new ATOM 0 HD23 LEU A 46 89.388 -9.141 -12.280 1.00 0.00 H new ATOM 683 N VAL A 47 91.910 -4.953 -10.687 1.00 0.00 N ATOM 684 CA VAL A 47 91.722 -3.642 -10.079 1.00 0.00 C ATOM 685 C VAL A 47 91.046 -2.707 -11.076 1.00 0.00 C ATOM 686 O VAL A 47 90.224 -1.869 -10.704 1.00 0.00 O ATOM 687 CB VAL A 47 93.073 -3.063 -9.633 1.00 0.00 C ATOM 688 CG1 VAL A 47 92.904 -1.590 -9.240 1.00 0.00 C ATOM 689 CG2 VAL A 47 93.590 -3.853 -8.425 1.00 0.00 C ATOM 0 H VAL A 47 92.882 -5.222 -10.838 1.00 0.00 H new ATOM 0 HA VAL A 47 91.086 -3.744 -9.200 1.00 0.00 H new ATOM 0 HB VAL A 47 93.785 -3.137 -10.455 1.00 0.00 H new ATOM 0 HG11 VAL A 47 93.866 -1.185 -8.925 1.00 0.00 H new ATOM 0 HG12 VAL A 47 92.535 -1.025 -10.096 1.00 0.00 H new ATOM 0 HG13 VAL A 47 92.191 -1.512 -8.420 1.00 0.00 H new ATOM 0 HG21 VAL A 47 94.549 -3.444 -8.106 1.00 0.00 H new ATOM 0 HG22 VAL A 47 92.873 -3.777 -7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 47 93.716 -4.900 -8.702 1.00 0.00 H new ATOM 699 N ALA A 48 91.397 -2.857 -12.347 1.00 0.00 N ATOM 700 CA ALA A 48 90.814 -2.017 -13.388 1.00 0.00 C ATOM 701 C ALA A 48 89.339 -2.344 -13.597 1.00 0.00 C ATOM 702 O ALA A 48 88.490 -1.453 -13.601 1.00 0.00 O ATOM 703 CB ALA A 48 91.567 -2.220 -14.704 1.00 0.00 C ATOM 0 H ALA A 48 92.074 -3.543 -12.680 1.00 0.00 H new ATOM 0 HA ALA A 48 90.899 -0.978 -13.068 1.00 0.00 H new ATOM 0 HB1 ALA A 48 91.126 -1.590 -15.476 1.00 0.00 H new ATOM 0 HB2 ALA A 48 92.614 -1.950 -14.569 1.00 0.00 H new ATOM 0 HB3 ALA A 48 91.498 -3.265 -15.005 1.00 0.00 H new ATOM 709 N THR A 49 89.039 -3.621 -13.784 1.00 0.00 N ATOM 710 CA THR A 49 87.661 -4.039 -14.013 1.00 0.00 C ATOM 711 C THR A 49 86.744 -3.589 -12.876 1.00 0.00 C ATOM 712 O THR A 49 85.669 -3.039 -13.118 1.00 0.00 O ATOM 713 CB THR A 49 87.594 -5.561 -14.151 1.00 0.00 C ATOM 714 OG1 THR A 49 88.599 -5.998 -15.056 1.00 0.00 O ATOM 715 CG2 THR A 49 86.217 -5.968 -14.680 1.00 0.00 C ATOM 0 H THR A 49 89.721 -4.379 -13.782 1.00 0.00 H new ATOM 0 HA THR A 49 87.318 -3.569 -14.935 1.00 0.00 H new ATOM 0 HB THR A 49 87.757 -6.021 -13.176 1.00 0.00 H new ATOM 0 HG1 THR A 49 88.558 -6.973 -15.144 1.00 0.00 H new ATOM 0 HG21 THR A 49 86.171 -7.053 -14.778 1.00 0.00 H new ATOM 0 HG22 THR A 49 85.447 -5.633 -13.985 1.00 0.00 H new ATOM 0 HG23 THR A 49 86.051 -5.508 -15.654 1.00 0.00 H new ATOM 723 N VAL A 50 87.160 -3.841 -11.639 1.00 0.00 N ATOM 724 CA VAL A 50 86.345 -3.475 -10.484 1.00 0.00 C ATOM 725 C VAL A 50 86.310 -1.964 -10.267 1.00 0.00 C ATOM 726 O VAL A 50 85.341 -1.442 -9.720 1.00 0.00 O ATOM 727 CB VAL A 50 86.865 -4.159 -9.216 1.00 0.00 C ATOM 728 CG1 VAL A 50 86.980 -5.670 -9.448 1.00 0.00 C ATOM 729 CG2 VAL A 50 88.237 -3.585 -8.844 1.00 0.00 C ATOM 0 H VAL A 50 88.046 -4.292 -11.411 1.00 0.00 H new ATOM 0 HA VAL A 50 85.330 -3.814 -10.692 1.00 0.00 H new ATOM 0 HB VAL A 50 86.166 -3.977 -8.400 1.00 0.00 H new ATOM 0 HG11 VAL A 50 87.350 -6.150 -8.542 1.00 0.00 H new ATOM 0 HG12 VAL A 50 86.000 -6.075 -9.699 1.00 0.00 H new ATOM 0 HG13 VAL A 50 87.672 -5.861 -10.268 1.00 0.00 H new ATOM 0 HG21 VAL A 50 88.603 -4.074 -7.941 1.00 0.00 H new ATOM 0 HG22 VAL A 50 88.938 -3.759 -9.661 1.00 0.00 H new ATOM 0 HG23 VAL A 50 88.147 -2.514 -8.665 1.00 0.00 H new ATOM 739 N LEU A 51 87.361 -1.253 -10.670 1.00 0.00 N ATOM 740 CA LEU A 51 87.381 0.194 -10.468 1.00 0.00 C ATOM 741 C LEU A 51 86.336 0.876 -11.337 1.00 0.00 C ATOM 742 O LEU A 51 85.497 1.616 -10.833 1.00 0.00 O ATOM 743 CB LEU A 51 88.779 0.752 -10.778 1.00 0.00 C ATOM 744 CG LEU A 51 88.818 2.275 -10.572 1.00 0.00 C ATOM 745 CD1 LEU A 51 88.526 2.622 -9.104 1.00 0.00 C ATOM 746 CD2 LEU A 51 90.211 2.791 -10.952 1.00 0.00 C ATOM 0 H LEU A 51 88.187 -1.641 -11.125 1.00 0.00 H new ATOM 0 HA LEU A 51 87.142 0.399 -9.424 1.00 0.00 H new ATOM 0 HB2 LEU A 51 89.517 0.274 -10.133 1.00 0.00 H new ATOM 0 HB3 LEU A 51 89.051 0.513 -11.806 1.00 0.00 H new ATOM 0 HG LEU A 51 88.060 2.744 -11.200 1.00 0.00 H new ATOM 0 HD11 LEU A 51 88.557 3.704 -8.973 1.00 0.00 H new ATOM 0 HD12 LEU A 51 87.538 2.252 -8.832 1.00 0.00 H new ATOM 0 HD13 LEU A 51 89.276 2.157 -8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 51 90.250 3.871 -10.810 1.00 0.00 H new ATOM 0 HD22 LEU A 51 90.960 2.314 -10.320 1.00 0.00 H new ATOM 0 HD23 LEU A 51 90.414 2.555 -11.997 1.00 0.00 H new ATOM 758 N LYS A 52 86.385 0.628 -12.636 1.00 0.00 N ATOM 759 CA LYS A 52 85.425 1.238 -13.548 1.00 0.00 C ATOM 760 C LYS A 52 84.017 0.729 -13.257 1.00 0.00 C ATOM 761 O LYS A 52 83.070 1.499 -13.214 1.00 0.00 O ATOM 762 CB LYS A 52 85.814 0.917 -14.996 1.00 0.00 C ATOM 763 CG LYS A 52 86.958 1.840 -15.450 1.00 0.00 C ATOM 764 CD LYS A 52 88.092 1.821 -14.413 1.00 0.00 C ATOM 765 CE LYS A 52 89.338 2.501 -14.984 1.00 0.00 C ATOM 766 NZ LYS A 52 89.133 3.976 -14.996 1.00 0.00 N ATOM 0 H LYS A 52 87.070 0.016 -13.081 1.00 0.00 H new ATOM 0 HA LYS A 52 85.437 2.318 -13.404 1.00 0.00 H new ATOM 0 HB2 LYS A 52 86.123 -0.125 -15.076 1.00 0.00 H new ATOM 0 HB3 LYS A 52 84.951 1.045 -15.650 1.00 0.00 H new ATOM 0 HG2 LYS A 52 87.335 1.515 -16.420 1.00 0.00 H new ATOM 0 HG3 LYS A 52 86.587 2.857 -15.577 1.00 0.00 H new ATOM 0 HD2 LYS A 52 87.773 2.332 -13.505 1.00 0.00 H new ATOM 0 HD3 LYS A 52 88.324 0.793 -14.135 1.00 0.00 H new ATOM 0 HE2 LYS A 52 90.212 2.249 -14.383 1.00 0.00 H new ATOM 0 HE3 LYS A 52 89.532 2.141 -15.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 88.882 4.284 -15.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 88.364 4.225 -14.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 90.009 4.451 -14.698 1.00 0.00 H new ATOM 780 N THR A 53 83.886 -0.572 -13.064 1.00 0.00 N ATOM 781 CA THR A 53 82.577 -1.155 -12.793 1.00 0.00 C ATOM 782 C THR A 53 81.951 -0.601 -11.507 1.00 0.00 C ATOM 783 O THR A 53 80.766 -0.257 -11.487 1.00 0.00 O ATOM 784 CB THR A 53 82.708 -2.678 -12.679 1.00 0.00 C ATOM 785 OG1 THR A 53 83.412 -3.176 -13.809 1.00 0.00 O ATOM 786 CG2 THR A 53 81.318 -3.316 -12.623 1.00 0.00 C ATOM 0 H THR A 53 84.657 -1.240 -13.089 1.00 0.00 H new ATOM 0 HA THR A 53 81.921 -0.890 -13.622 1.00 0.00 H new ATOM 0 HB THR A 53 83.253 -2.926 -11.768 1.00 0.00 H new ATOM 0 HG1 THR A 53 84.297 -3.491 -13.530 1.00 0.00 H new ATOM 0 HG21 THR A 53 81.417 -4.398 -12.542 1.00 0.00 H new ATOM 0 HG22 THR A 53 80.778 -2.935 -11.756 1.00 0.00 H new ATOM 0 HG23 THR A 53 80.768 -3.069 -13.531 1.00 0.00 H new ATOM 794 N ILE A 54 82.728 -0.551 -10.427 1.00 0.00 N ATOM 795 CA ILE A 54 82.196 -0.086 -9.144 1.00 0.00 C ATOM 796 C ILE A 54 81.912 1.414 -9.112 1.00 0.00 C ATOM 797 O ILE A 54 80.894 1.828 -8.568 1.00 0.00 O ATOM 798 CB ILE A 54 83.160 -0.457 -8.013 1.00 0.00 C ATOM 799 CG1 ILE A 54 83.237 -1.981 -7.888 1.00 0.00 C ATOM 800 CG2 ILE A 54 82.660 0.128 -6.687 1.00 0.00 C ATOM 801 CD1 ILE A 54 84.411 -2.358 -6.984 1.00 0.00 C ATOM 0 H ILE A 54 83.711 -0.821 -10.411 1.00 0.00 H new ATOM 0 HA ILE A 54 81.238 -0.588 -9.006 1.00 0.00 H new ATOM 0 HB ILE A 54 84.146 -0.052 -8.240 1.00 0.00 H new ATOM 0 HG12 ILE A 54 82.306 -2.370 -7.475 1.00 0.00 H new ATOM 0 HG13 ILE A 54 83.362 -2.432 -8.872 1.00 0.00 H new ATOM 0 HG21 ILE A 54 83.351 -0.140 -5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 54 82.602 1.213 -6.767 1.00 0.00 H new ATOM 0 HG23 ILE A 54 81.672 -0.273 -6.462 1.00 0.00 H new ATOM 0 HD11 ILE A 54 84.467 -3.443 -6.894 1.00 0.00 H new ATOM 0 HD12 ILE A 54 85.338 -1.981 -7.416 1.00 0.00 H new ATOM 0 HD13 ILE A 54 84.266 -1.919 -5.997 1.00 0.00 H new ATOM 813 N VAL A 55 82.806 2.230 -9.649 1.00 0.00 N ATOM 814 CA VAL A 55 82.589 3.677 -9.620 1.00 0.00 C ATOM 815 C VAL A 55 81.545 4.107 -10.647 1.00 0.00 C ATOM 816 O VAL A 55 80.777 5.033 -10.408 1.00 0.00 O ATOM 817 CB VAL A 55 83.903 4.420 -9.890 1.00 0.00 C ATOM 818 CG1 VAL A 55 84.966 3.944 -8.895 1.00 0.00 C ATOM 819 CG2 VAL A 55 84.374 4.162 -11.340 1.00 0.00 C ATOM 0 H VAL A 55 83.670 1.930 -10.101 1.00 0.00 H new ATOM 0 HA VAL A 55 82.222 3.932 -8.626 1.00 0.00 H new ATOM 0 HB VAL A 55 83.745 5.491 -9.765 1.00 0.00 H new ATOM 0 HG11 VAL A 55 85.902 4.470 -9.083 1.00 0.00 H new ATOM 0 HG12 VAL A 55 84.632 4.151 -7.878 1.00 0.00 H new ATOM 0 HG13 VAL A 55 85.122 2.872 -9.014 1.00 0.00 H new ATOM 0 HG21 VAL A 55 85.308 4.695 -11.519 1.00 0.00 H new ATOM 0 HG22 VAL A 55 84.532 3.094 -11.487 1.00 0.00 H new ATOM 0 HG23 VAL A 55 83.615 4.516 -12.038 1.00 0.00 H new ATOM 829 N LEU A 56 81.549 3.450 -11.799 1.00 0.00 N ATOM 830 CA LEU A 56 80.632 3.789 -12.882 1.00 0.00 C ATOM 831 C LEU A 56 79.180 3.386 -12.598 1.00 0.00 C ATOM 832 O LEU A 56 78.260 4.110 -12.971 1.00 0.00 O ATOM 833 CB LEU A 56 81.108 3.098 -14.166 1.00 0.00 C ATOM 834 CG LEU A 56 80.336 3.626 -15.397 1.00 0.00 C ATOM 835 CD1 LEU A 56 81.061 4.845 -15.978 1.00 0.00 C ATOM 836 CD2 LEU A 56 80.263 2.536 -16.474 1.00 0.00 C ATOM 0 H LEU A 56 82.179 2.676 -12.009 1.00 0.00 H new ATOM 0 HA LEU A 56 80.641 4.874 -12.986 1.00 0.00 H new ATOM 0 HB2 LEU A 56 82.176 3.269 -14.301 1.00 0.00 H new ATOM 0 HB3 LEU A 56 80.966 2.021 -14.078 1.00 0.00 H new ATOM 0 HG LEU A 56 79.329 3.906 -15.087 1.00 0.00 H new ATOM 0 HD11 LEU A 56 80.514 5.214 -16.845 1.00 0.00 H new ATOM 0 HD12 LEU A 56 81.116 5.629 -15.223 1.00 0.00 H new ATOM 0 HD13 LEU A 56 82.069 4.559 -16.279 1.00 0.00 H new ATOM 0 HD21 LEU A 56 79.718 2.915 -17.339 1.00 0.00 H new ATOM 0 HD22 LEU A 56 81.272 2.255 -16.776 1.00 0.00 H new ATOM 0 HD23 LEU A 56 79.747 1.663 -16.074 1.00 0.00 H new ATOM 848 N ILE A 57 78.960 2.224 -11.986 1.00 0.00 N ATOM 849 CA ILE A 57 77.587 1.773 -11.742 1.00 0.00 C ATOM 850 C ILE A 57 76.773 2.740 -10.853 1.00 0.00 C ATOM 851 O ILE A 57 75.649 3.084 -11.216 1.00 0.00 O ATOM 852 CB ILE A 57 77.592 0.319 -11.167 1.00 0.00 C ATOM 853 CG1 ILE A 57 77.376 -0.715 -12.294 1.00 0.00 C ATOM 854 CG2 ILE A 57 76.473 0.119 -10.130 1.00 0.00 C ATOM 855 CD1 ILE A 57 78.567 -0.728 -13.261 1.00 0.00 C ATOM 0 H ILE A 57 79.690 1.592 -11.657 1.00 0.00 H new ATOM 0 HA ILE A 57 77.075 1.769 -12.704 1.00 0.00 H new ATOM 0 HB ILE A 57 78.563 0.173 -10.694 1.00 0.00 H new ATOM 0 HG12 ILE A 57 77.242 -1.707 -11.862 1.00 0.00 H new ATOM 0 HG13 ILE A 57 76.462 -0.479 -12.839 1.00 0.00 H new ATOM 0 HG21 ILE A 57 76.506 -0.903 -9.751 1.00 0.00 H new ATOM 0 HG22 ILE A 57 76.613 0.817 -9.304 1.00 0.00 H new ATOM 0 HG23 ILE A 57 75.506 0.301 -10.599 1.00 0.00 H new ATOM 0 HD11 ILE A 57 78.391 -1.464 -14.045 1.00 0.00 H new ATOM 0 HD12 ILE A 57 78.683 0.259 -13.709 1.00 0.00 H new ATOM 0 HD13 ILE A 57 79.475 -0.988 -12.717 1.00 0.00 H new ATOM 867 N PRO A 58 77.256 3.167 -9.710 1.00 0.00 N ATOM 868 CA PRO A 58 76.455 4.070 -8.834 1.00 0.00 C ATOM 869 C PRO A 58 75.909 5.268 -9.609 1.00 0.00 C ATOM 870 O PRO A 58 74.742 5.629 -9.460 1.00 0.00 O ATOM 871 CB PRO A 58 77.422 4.486 -7.702 1.00 0.00 C ATOM 872 CG PRO A 58 78.783 4.002 -8.116 1.00 0.00 C ATOM 873 CD PRO A 58 78.571 2.871 -9.127 1.00 0.00 C ATOM 0 HA PRO A 58 75.568 3.577 -8.435 1.00 0.00 H new ATOM 0 HB2 PRO A 58 77.418 5.567 -7.564 1.00 0.00 H new ATOM 0 HB3 PRO A 58 77.123 4.043 -6.752 1.00 0.00 H new ATOM 0 HG2 PRO A 58 79.361 4.812 -8.560 1.00 0.00 H new ATOM 0 HG3 PRO A 58 79.344 3.646 -7.252 1.00 0.00 H new ATOM 0 HD2 PRO A 58 79.353 2.861 -9.887 1.00 0.00 H new ATOM 0 HD3 PRO A 58 78.584 1.894 -8.644 1.00 0.00 H new ATOM 881 N PHE A 59 76.746 5.874 -10.442 1.00 0.00 N ATOM 882 CA PHE A 59 76.330 6.999 -11.227 1.00 0.00 C ATOM 883 C PHE A 59 75.437 6.551 -12.378 1.00 0.00 C ATOM 884 O PHE A 59 74.244 6.851 -12.402 1.00 0.00 O ATOM 885 CB PHE A 59 77.566 7.679 -11.781 1.00 0.00 C ATOM 886 CG PHE A 59 78.569 7.947 -10.672 1.00 0.00 C ATOM 887 CD1 PHE A 59 78.198 8.687 -9.537 1.00 0.00 C ATOM 888 CD2 PHE A 59 79.878 7.457 -10.784 1.00 0.00 C ATOM 889 CE1 PHE A 59 79.132 8.929 -8.521 1.00 0.00 C ATOM 890 CE2 PHE A 59 80.809 7.702 -9.768 1.00 0.00 C ATOM 891 CZ PHE A 59 80.436 8.436 -8.637 1.00 0.00 C ATOM 0 H PHE A 59 77.717 5.594 -10.582 1.00 0.00 H new ATOM 0 HA PHE A 59 75.762 7.687 -10.601 1.00 0.00 H new ATOM 0 HB2 PHE A 59 78.021 7.051 -12.547 1.00 0.00 H new ATOM 0 HB3 PHE A 59 77.288 8.617 -12.262 1.00 0.00 H new ATOM 0 HD1 PHE A 59 77.192 9.070 -9.447 1.00 0.00 H new ATOM 0 HD2 PHE A 59 80.168 6.890 -11.656 1.00 0.00 H new ATOM 0 HE1 PHE A 59 78.845 9.496 -7.648 1.00 0.00 H new ATOM 0 HE2 PHE A 59 81.817 7.324 -9.857 1.00 0.00 H new ATOM 0 HZ PHE A 59 81.155 8.622 -7.853 1.00 0.00 H new ATOM 901 N LEU A 60 76.022 5.833 -13.334 1.00 0.00 N ATOM 902 CA LEU A 60 75.255 5.358 -14.481 1.00 0.00 C ATOM 903 C LEU A 60 74.019 4.594 -14.012 1.00 0.00 C ATOM 904 O LEU A 60 73.039 4.474 -14.749 1.00 0.00 O ATOM 905 CB LEU A 60 76.129 4.455 -15.365 1.00 0.00 C ATOM 906 CG LEU A 60 77.049 5.306 -16.263 1.00 0.00 C ATOM 907 CD1 LEU A 60 76.238 6.017 -17.367 1.00 0.00 C ATOM 908 CD2 LEU A 60 77.784 6.348 -15.408 1.00 0.00 C ATOM 0 H LEU A 60 77.008 5.571 -13.338 1.00 0.00 H new ATOM 0 HA LEU A 60 74.933 6.220 -15.066 1.00 0.00 H new ATOM 0 HB2 LEU A 60 76.730 3.796 -14.739 1.00 0.00 H new ATOM 0 HB3 LEU A 60 75.496 3.818 -15.983 1.00 0.00 H new ATOM 0 HG LEU A 60 77.773 4.645 -16.740 1.00 0.00 H new ATOM 0 HD11 LEU A 60 76.910 6.611 -17.987 1.00 0.00 H new ATOM 0 HD12 LEU A 60 75.736 5.273 -17.986 1.00 0.00 H new ATOM 0 HD13 LEU A 60 75.495 6.670 -16.909 1.00 0.00 H new ATOM 0 HD21 LEU A 60 78.434 6.948 -16.045 1.00 0.00 H new ATOM 0 HD22 LEU A 60 77.057 6.996 -14.919 1.00 0.00 H new ATOM 0 HD23 LEU A 60 78.384 5.841 -14.653 1.00 0.00 H new ATOM 1000 N VAL B 4 76.557 15.748 -13.892 1.00 0.00 N ATOM 1001 CA VAL B 4 77.160 14.477 -13.482 1.00 0.00 C ATOM 1002 C VAL B 4 78.102 13.944 -14.551 1.00 0.00 C ATOM 1003 O VAL B 4 79.306 13.854 -14.330 1.00 0.00 O ATOM 1004 CB VAL B 4 76.069 13.438 -13.205 1.00 0.00 C ATOM 1005 CG1 VAL B 4 76.666 12.262 -12.433 1.00 0.00 C ATOM 1006 CG2 VAL B 4 74.948 14.076 -12.380 1.00 0.00 C ATOM 0 HA VAL B 4 77.732 14.660 -12.573 1.00 0.00 H new ATOM 0 HB VAL B 4 75.663 13.081 -14.151 1.00 0.00 H new ATOM 0 HG11 VAL B 4 75.889 11.524 -12.237 1.00 0.00 H new ATOM 0 HG12 VAL B 4 77.460 11.805 -13.023 1.00 0.00 H new ATOM 0 HG13 VAL B 4 77.076 12.618 -11.488 1.00 0.00 H new ATOM 0 HG21 VAL B 4 74.173 13.335 -12.184 1.00 0.00 H new ATOM 0 HG22 VAL B 4 75.352 14.437 -11.434 1.00 0.00 H new ATOM 0 HG23 VAL B 4 74.519 14.912 -12.933 1.00 0.00 H new ATOM 1016 N SER B 5 77.539 13.576 -15.696 1.00 0.00 N ATOM 1017 CA SER B 5 78.320 13.036 -16.807 1.00 0.00 C ATOM 1018 C SER B 5 79.724 13.650 -16.888 1.00 0.00 C ATOM 1019 O SER B 5 80.718 12.933 -16.780 1.00 0.00 O ATOM 1020 CB SER B 5 77.556 13.277 -18.118 1.00 0.00 C ATOM 1021 OG SER B 5 78.458 13.684 -19.136 1.00 0.00 O ATOM 0 H SER B 5 76.538 13.642 -15.882 1.00 0.00 H new ATOM 0 HA SER B 5 78.455 11.968 -16.639 1.00 0.00 H new ATOM 0 HB2 SER B 5 77.040 12.366 -18.421 1.00 0.00 H new ATOM 0 HB3 SER B 5 76.793 14.041 -17.969 1.00 0.00 H new ATOM 0 HG SER B 5 78.405 13.059 -19.889 1.00 0.00 H new ATOM 1027 N PRO B 6 79.835 14.942 -17.084 1.00 0.00 N ATOM 1028 CA PRO B 6 81.166 15.618 -17.188 1.00 0.00 C ATOM 1029 C PRO B 6 81.969 15.515 -15.891 1.00 0.00 C ATOM 1030 O PRO B 6 83.006 16.161 -15.742 1.00 0.00 O ATOM 1031 CB PRO B 6 80.811 17.080 -17.522 1.00 0.00 C ATOM 1032 CG PRO B 6 79.411 17.257 -17.033 1.00 0.00 C ATOM 1033 CD PRO B 6 78.727 15.904 -17.224 1.00 0.00 C ATOM 0 HA PRO B 6 81.805 15.157 -17.941 1.00 0.00 H new ATOM 0 HB2 PRO B 6 81.492 17.774 -17.030 1.00 0.00 H new ATOM 0 HB3 PRO B 6 80.882 17.269 -18.593 1.00 0.00 H new ATOM 0 HG2 PRO B 6 79.398 17.557 -15.985 1.00 0.00 H new ATOM 0 HG3 PRO B 6 78.897 18.037 -17.594 1.00 0.00 H new ATOM 0 HD2 PRO B 6 77.951 15.736 -16.477 1.00 0.00 H new ATOM 0 HD3 PRO B 6 78.250 15.829 -18.201 1.00 0.00 H new ATOM 1041 N GLY B 7 81.479 14.700 -14.954 1.00 0.00 N ATOM 1042 CA GLY B 7 82.155 14.519 -13.664 1.00 0.00 C ATOM 1043 C GLY B 7 82.546 13.061 -13.423 1.00 0.00 C ATOM 1044 O GLY B 7 83.729 12.744 -13.315 1.00 0.00 O ATOM 0 H GLY B 7 80.622 14.157 -15.062 1.00 0.00 H new ATOM 0 HA2 GLY B 7 83.047 15.144 -13.631 1.00 0.00 H new ATOM 0 HA3 GLY B 7 81.500 14.856 -12.861 1.00 0.00 H new ATOM 1048 N VAL B 8 81.560 12.175 -13.321 1.00 0.00 N ATOM 1049 CA VAL B 8 81.859 10.769 -13.074 1.00 0.00 C ATOM 1050 C VAL B 8 82.694 10.187 -14.217 1.00 0.00 C ATOM 1051 O VAL B 8 83.792 9.666 -13.991 1.00 0.00 O ATOM 1052 CB VAL B 8 80.553 9.979 -12.894 1.00 0.00 C ATOM 1053 CG1 VAL B 8 79.790 10.516 -11.670 1.00 0.00 C ATOM 1054 CG2 VAL B 8 79.680 10.113 -14.154 1.00 0.00 C ATOM 0 H VAL B 8 80.568 12.398 -13.403 1.00 0.00 H new ATOM 0 HA VAL B 8 82.443 10.689 -12.157 1.00 0.00 H new ATOM 0 HB VAL B 8 80.789 8.926 -12.738 1.00 0.00 H new ATOM 0 HG11 VAL B 8 78.864 9.955 -11.544 1.00 0.00 H new ATOM 0 HG12 VAL B 8 80.407 10.404 -10.779 1.00 0.00 H new ATOM 0 HG13 VAL B 8 79.558 11.570 -11.820 1.00 0.00 H new ATOM 0 HG21 VAL B 8 78.756 9.550 -14.018 1.00 0.00 H new ATOM 0 HG22 VAL B 8 79.443 11.164 -14.323 1.00 0.00 H new ATOM 0 HG23 VAL B 8 80.221 9.720 -15.015 1.00 0.00 H new ATOM 1064 N LEU B 9 82.197 10.301 -15.445 1.00 0.00 N ATOM 1065 CA LEU B 9 82.946 9.796 -16.589 1.00 0.00 C ATOM 1066 C LEU B 9 84.353 10.398 -16.569 1.00 0.00 C ATOM 1067 O LEU B 9 85.351 9.709 -16.846 1.00 0.00 O ATOM 1068 CB LEU B 9 82.216 10.136 -17.895 1.00 0.00 C ATOM 1069 CG LEU B 9 80.740 9.712 -17.785 1.00 0.00 C ATOM 1070 CD1 LEU B 9 80.004 10.060 -19.081 1.00 0.00 C ATOM 1071 CD2 LEU B 9 80.640 8.196 -17.537 1.00 0.00 C ATOM 0 H LEU B 9 81.299 10.729 -15.670 1.00 0.00 H new ATOM 0 HA LEU B 9 83.025 8.711 -16.529 1.00 0.00 H new ATOM 0 HB2 LEU B 9 82.284 11.206 -18.094 1.00 0.00 H new ATOM 0 HB3 LEU B 9 82.691 9.625 -18.733 1.00 0.00 H new ATOM 0 HG LEU B 9 80.285 10.244 -16.950 1.00 0.00 H new ATOM 0 HD11 LEU B 9 78.960 9.758 -18.999 1.00 0.00 H new ATOM 0 HD12 LEU B 9 80.059 11.135 -19.253 1.00 0.00 H new ATOM 0 HD13 LEU B 9 80.469 9.535 -19.916 1.00 0.00 H new ATOM 0 HD21 LEU B 9 79.591 7.908 -17.461 1.00 0.00 H new ATOM 0 HD22 LEU B 9 81.104 7.660 -18.365 1.00 0.00 H new ATOM 0 HD23 LEU B 9 81.153 7.944 -16.609 1.00 0.00 H new ATOM 1083 N ALA B 10 84.441 11.673 -16.181 1.00 0.00 N ATOM 1084 CA ALA B 10 85.739 12.316 -16.073 1.00 0.00 C ATOM 1085 C ALA B 10 86.579 11.488 -15.102 1.00 0.00 C ATOM 1086 O ALA B 10 87.790 11.304 -15.273 1.00 0.00 O ATOM 1087 CB ALA B 10 85.588 13.752 -15.553 1.00 0.00 C ATOM 0 H ALA B 10 83.644 12.264 -15.943 1.00 0.00 H new ATOM 0 HA ALA B 10 86.219 12.369 -17.050 1.00 0.00 H new ATOM 0 HB1 ALA B 10 86.571 14.217 -15.479 1.00 0.00 H new ATOM 0 HB2 ALA B 10 84.966 14.325 -16.241 1.00 0.00 H new ATOM 0 HB3 ALA B 10 85.119 13.735 -14.569 1.00 0.00 H new ATOM 1093 N GLY B 11 85.891 10.977 -14.085 1.00 0.00 N ATOM 1094 CA GLY B 11 86.520 10.150 -13.072 1.00 0.00 C ATOM 1095 C GLY B 11 87.098 8.883 -13.685 1.00 0.00 C ATOM 1096 O GLY B 11 88.151 8.410 -13.256 1.00 0.00 O ATOM 0 H GLY B 11 84.892 11.125 -13.944 1.00 0.00 H new ATOM 0 HA2 GLY B 11 87.312 10.713 -12.578 1.00 0.00 H new ATOM 0 HA3 GLY B 11 85.790 9.888 -12.307 1.00 0.00 H new ATOM 1100 N ILE B 12 86.422 8.328 -14.692 1.00 0.00 N ATOM 1101 CA ILE B 12 86.931 7.120 -15.320 1.00 0.00 C ATOM 1102 C ILE B 12 88.258 7.424 -16.014 1.00 0.00 C ATOM 1103 O ILE B 12 89.222 6.679 -15.854 1.00 0.00 O ATOM 1104 CB ILE B 12 85.890 6.538 -16.300 1.00 0.00 C ATOM 1105 CG1 ILE B 12 84.855 5.714 -15.513 1.00 0.00 C ATOM 1106 CG2 ILE B 12 86.568 5.624 -17.343 1.00 0.00 C ATOM 1107 CD1 ILE B 12 84.263 6.554 -14.384 1.00 0.00 C ATOM 0 H ILE B 12 85.548 8.686 -15.077 1.00 0.00 H new ATOM 0 HA ILE B 12 87.112 6.362 -14.558 1.00 0.00 H new ATOM 0 HB ILE B 12 85.404 7.365 -16.818 1.00 0.00 H new ATOM 0 HG12 ILE B 12 84.062 5.379 -16.181 1.00 0.00 H new ATOM 0 HG13 ILE B 12 85.326 4.820 -15.103 1.00 0.00 H new ATOM 0 HG21 ILE B 12 85.814 5.226 -18.022 1.00 0.00 H new ATOM 0 HG22 ILE B 12 87.300 6.199 -17.910 1.00 0.00 H new ATOM 0 HG23 ILE B 12 87.069 4.801 -16.834 1.00 0.00 H new ATOM 0 HD11 ILE B 12 83.532 5.961 -13.834 1.00 0.00 H new ATOM 0 HD12 ILE B 12 85.059 6.867 -13.708 1.00 0.00 H new ATOM 0 HD13 ILE B 12 83.775 7.434 -14.803 1.00 0.00 H new ATOM 1119 N VAL B 13 88.327 8.521 -16.770 1.00 0.00 N ATOM 1120 CA VAL B 13 89.595 8.849 -17.433 1.00 0.00 C ATOM 1121 C VAL B 13 90.708 8.890 -16.386 1.00 0.00 C ATOM 1122 O VAL B 13 91.795 8.349 -16.599 1.00 0.00 O ATOM 1123 CB VAL B 13 89.514 10.184 -18.233 1.00 0.00 C ATOM 1124 CG1 VAL B 13 88.059 10.538 -18.483 1.00 0.00 C ATOM 1125 CG2 VAL B 13 90.179 11.357 -17.486 1.00 0.00 C ATOM 0 H VAL B 13 87.560 9.172 -16.936 1.00 0.00 H new ATOM 0 HA VAL B 13 89.816 8.073 -18.166 1.00 0.00 H new ATOM 0 HB VAL B 13 90.048 10.029 -19.170 1.00 0.00 H new ATOM 0 HG11 VAL B 13 88.003 11.472 -19.043 1.00 0.00 H new ATOM 0 HG12 VAL B 13 87.584 9.742 -19.057 1.00 0.00 H new ATOM 0 HG13 VAL B 13 87.544 10.655 -17.529 1.00 0.00 H new ATOM 0 HG21 VAL B 13 90.096 12.264 -18.085 1.00 0.00 H new ATOM 0 HG22 VAL B 13 89.681 11.508 -16.528 1.00 0.00 H new ATOM 0 HG23 VAL B 13 91.231 11.130 -17.316 1.00 0.00 H new ATOM 1135 N VAL B 14 90.425 9.528 -15.250 1.00 0.00 N ATOM 1136 CA VAL B 14 91.418 9.617 -14.182 1.00 0.00 C ATOM 1137 C VAL B 14 91.874 8.216 -13.782 1.00 0.00 C ATOM 1138 O VAL B 14 93.069 7.964 -13.608 1.00 0.00 O ATOM 1139 CB VAL B 14 90.827 10.340 -12.967 1.00 0.00 C ATOM 1140 CG1 VAL B 14 91.832 10.308 -11.813 1.00 0.00 C ATOM 1141 CG2 VAL B 14 90.529 11.794 -13.338 1.00 0.00 C ATOM 0 H VAL B 14 89.534 9.982 -15.048 1.00 0.00 H new ATOM 0 HA VAL B 14 92.276 10.184 -14.544 1.00 0.00 H new ATOM 0 HB VAL B 14 89.906 9.843 -12.661 1.00 0.00 H new ATOM 0 HG11 VAL B 14 91.411 10.822 -10.949 1.00 0.00 H new ATOM 0 HG12 VAL B 14 92.049 9.273 -11.548 1.00 0.00 H new ATOM 0 HG13 VAL B 14 92.753 10.806 -12.118 1.00 0.00 H new ATOM 0 HG21 VAL B 14 90.108 12.311 -12.475 1.00 0.00 H new ATOM 0 HG22 VAL B 14 91.452 12.288 -13.643 1.00 0.00 H new ATOM 0 HG23 VAL B 14 89.814 11.820 -14.161 1.00 0.00 H new ATOM 1151 N GLY B 15 90.914 7.306 -13.650 1.00 0.00 N ATOM 1152 CA GLY B 15 91.224 5.931 -13.282 1.00 0.00 C ATOM 1153 C GLY B 15 92.125 5.289 -14.331 1.00 0.00 C ATOM 1154 O GLY B 15 93.017 4.507 -14.003 1.00 0.00 O ATOM 0 H GLY B 15 89.922 7.495 -13.791 1.00 0.00 H new ATOM 0 HA2 GLY B 15 91.716 5.910 -12.310 1.00 0.00 H new ATOM 0 HA3 GLY B 15 90.302 5.357 -13.185 1.00 0.00 H new ATOM 1158 N ASP B 16 91.889 5.632 -15.593 1.00 0.00 N ATOM 1159 CA ASP B 16 92.689 5.089 -16.686 1.00 0.00 C ATOM 1160 C ASP B 16 94.150 5.477 -16.508 1.00 0.00 C ATOM 1161 O ASP B 16 95.047 4.644 -16.642 1.00 0.00 O ATOM 1162 CB ASP B 16 92.179 5.627 -18.023 1.00 0.00 C ATOM 1163 CG ASP B 16 92.765 4.810 -19.169 1.00 0.00 C ATOM 1164 OD1 ASP B 16 93.554 3.921 -18.894 1.00 0.00 O ATOM 1165 OD2 ASP B 16 92.415 5.084 -20.306 1.00 0.00 O ATOM 0 H ASP B 16 91.156 6.279 -15.884 1.00 0.00 H new ATOM 0 HA ASP B 16 92.602 4.002 -16.676 1.00 0.00 H new ATOM 0 HB2 ASP B 16 91.090 5.581 -18.052 1.00 0.00 H new ATOM 0 HB3 ASP B 16 92.457 6.675 -18.133 1.00 0.00 H new ATOM 1170 N LEU B 17 94.379 6.749 -16.202 1.00 0.00 N ATOM 1171 CA LEU B 17 95.735 7.245 -16.002 1.00 0.00 C ATOM 1172 C LEU B 17 96.411 6.454 -14.882 1.00 0.00 C ATOM 1173 O LEU B 17 97.534 5.963 -15.036 1.00 0.00 O ATOM 1174 CB LEU B 17 95.682 8.745 -15.646 1.00 0.00 C ATOM 1175 CG LEU B 17 96.966 9.471 -16.097 1.00 0.00 C ATOM 1176 CD1 LEU B 17 98.201 8.731 -15.571 1.00 0.00 C ATOM 1177 CD2 LEU B 17 97.028 9.568 -17.637 1.00 0.00 C ATOM 0 H LEU B 17 93.648 7.451 -16.088 1.00 0.00 H new ATOM 0 HA LEU B 17 96.314 7.118 -16.917 1.00 0.00 H new ATOM 0 HB2 LEU B 17 94.815 9.204 -16.122 1.00 0.00 H new ATOM 0 HB3 LEU B 17 95.554 8.862 -14.570 1.00 0.00 H new ATOM 0 HG LEU B 17 96.951 10.481 -15.687 1.00 0.00 H new ATOM 0 HD11 LEU B 17 99.102 9.251 -15.895 1.00 0.00 H new ATOM 0 HD12 LEU B 17 98.171 8.701 -14.482 1.00 0.00 H new ATOM 0 HD13 LEU B 17 98.209 7.714 -15.962 1.00 0.00 H new ATOM 0 HD21 LEU B 17 97.942 10.084 -17.933 1.00 0.00 H new ATOM 0 HD22 LEU B 17 97.022 8.566 -18.065 1.00 0.00 H new ATOM 0 HD23 LEU B 17 96.164 10.123 -18.002 1.00 0.00 H new ATOM 1189 N VAL B 18 95.713 6.326 -13.757 1.00 0.00 N ATOM 1190 CA VAL B 18 96.249 5.588 -12.622 1.00 0.00 C ATOM 1191 C VAL B 18 96.665 4.185 -13.057 1.00 0.00 C ATOM 1192 O VAL B 18 97.747 3.712 -12.706 1.00 0.00 O ATOM 1193 CB VAL B 18 95.201 5.500 -11.508 1.00 0.00 C ATOM 1194 CG1 VAL B 18 95.711 4.591 -10.387 1.00 0.00 C ATOM 1195 CG2 VAL B 18 94.938 6.898 -10.944 1.00 0.00 C ATOM 0 H VAL B 18 94.784 6.720 -13.609 1.00 0.00 H new ATOM 0 HA VAL B 18 97.125 6.115 -12.243 1.00 0.00 H new ATOM 0 HB VAL B 18 94.278 5.088 -11.916 1.00 0.00 H new ATOM 0 HG11 VAL B 18 94.962 4.532 -9.597 1.00 0.00 H new ATOM 0 HG12 VAL B 18 95.899 3.594 -10.784 1.00 0.00 H new ATOM 0 HG13 VAL B 18 96.636 4.999 -9.980 1.00 0.00 H new ATOM 0 HG21 VAL B 18 94.192 6.836 -10.151 1.00 0.00 H new ATOM 0 HG22 VAL B 18 95.864 7.308 -10.540 1.00 0.00 H new ATOM 0 HG23 VAL B 18 94.570 7.547 -11.738 1.00 0.00 H new ATOM 1205 N LEU B 19 95.806 3.524 -13.828 1.00 0.00 N ATOM 1206 CA LEU B 19 96.117 2.181 -14.301 1.00 0.00 C ATOM 1207 C LEU B 19 97.387 2.206 -15.137 1.00 0.00 C ATOM 1208 O LEU B 19 98.302 1.431 -14.900 1.00 0.00 O ATOM 1209 CB LEU B 19 94.972 1.619 -15.149 1.00 0.00 C ATOM 1210 CG LEU B 19 93.738 1.327 -14.283 1.00 0.00 C ATOM 1211 CD1 LEU B 19 92.571 0.954 -15.208 1.00 0.00 C ATOM 1212 CD2 LEU B 19 94.023 0.159 -13.311 1.00 0.00 C ATOM 0 H LEU B 19 94.904 3.890 -14.134 1.00 0.00 H new ATOM 0 HA LEU B 19 96.258 1.542 -13.429 1.00 0.00 H new ATOM 0 HB2 LEU B 19 94.711 2.331 -15.932 1.00 0.00 H new ATOM 0 HB3 LEU B 19 95.297 0.705 -15.645 1.00 0.00 H new ATOM 0 HG LEU B 19 93.489 2.210 -13.695 1.00 0.00 H new ATOM 0 HD11 LEU B 19 91.685 0.743 -14.609 1.00 0.00 H new ATOM 0 HD12 LEU B 19 92.363 1.783 -15.884 1.00 0.00 H new ATOM 0 HD13 LEU B 19 92.835 0.070 -15.789 1.00 0.00 H new ATOM 0 HD21 LEU B 19 93.138 -0.034 -12.705 1.00 0.00 H new ATOM 0 HD22 LEU B 19 94.275 -0.735 -13.881 1.00 0.00 H new ATOM 0 HD23 LEU B 19 94.857 0.422 -12.661 1.00 0.00 H new ATOM 1224 N THR B 20 97.442 3.105 -16.116 1.00 0.00 N ATOM 1225 CA THR B 20 98.617 3.203 -16.976 1.00 0.00 C ATOM 1226 C THR B 20 99.894 3.152 -16.143 1.00 0.00 C ATOM 1227 O THR B 20 100.810 2.378 -16.437 1.00 0.00 O ATOM 1228 CB THR B 20 98.575 4.509 -17.773 1.00 0.00 C ATOM 1229 OG1 THR B 20 97.294 4.656 -18.370 1.00 0.00 O ATOM 1230 CG2 THR B 20 99.647 4.479 -18.863 1.00 0.00 C ATOM 0 H THR B 20 96.697 3.768 -16.332 1.00 0.00 H new ATOM 0 HA THR B 20 98.612 2.359 -17.665 1.00 0.00 H new ATOM 0 HB THR B 20 98.764 5.349 -17.105 1.00 0.00 H new ATOM 0 HG1 THR B 20 97.265 5.493 -18.879 1.00 0.00 H new ATOM 0 HG21 THR B 20 99.616 5.410 -19.430 1.00 0.00 H new ATOM 0 HG22 THR B 20 100.629 4.366 -18.404 1.00 0.00 H new ATOM 0 HG23 THR B 20 99.461 3.640 -19.533 1.00 0.00 H new ATOM 1238 N VAL B 21 99.946 3.968 -15.097 1.00 0.00 N ATOM 1239 CA VAL B 21 101.117 3.992 -14.227 1.00 0.00 C ATOM 1240 C VAL B 21 101.305 2.638 -13.543 1.00 0.00 C ATOM 1241 O VAL B 21 102.431 2.180 -13.346 1.00 0.00 O ATOM 1242 CB VAL B 21 100.959 5.079 -13.162 1.00 0.00 C ATOM 1243 CG1 VAL B 21 102.202 5.103 -12.271 1.00 0.00 C ATOM 1244 CG2 VAL B 21 100.794 6.441 -13.840 1.00 0.00 C ATOM 0 H VAL B 21 99.202 4.614 -14.832 1.00 0.00 H new ATOM 0 HA VAL B 21 101.993 4.207 -14.839 1.00 0.00 H new ATOM 0 HB VAL B 21 100.079 4.866 -12.556 1.00 0.00 H new ATOM 0 HG11 VAL B 21 102.091 5.877 -11.512 1.00 0.00 H new ATOM 0 HG12 VAL B 21 102.321 4.134 -11.786 1.00 0.00 H new ATOM 0 HG13 VAL B 21 103.081 5.315 -12.879 1.00 0.00 H new ATOM 0 HG21 VAL B 21 100.682 7.214 -13.080 1.00 0.00 H new ATOM 0 HG22 VAL B 21 101.674 6.654 -14.447 1.00 0.00 H new ATOM 0 HG23 VAL B 21 99.909 6.426 -14.476 1.00 0.00 H new ATOM 1254 N LEU B 22 100.192 2.011 -13.169 1.00 0.00 N ATOM 1255 CA LEU B 22 100.238 0.718 -12.490 1.00 0.00 C ATOM 1256 C LEU B 22 100.841 -0.370 -13.386 1.00 0.00 C ATOM 1257 O LEU B 22 101.748 -1.092 -12.968 1.00 0.00 O ATOM 1258 CB LEU B 22 98.823 0.315 -12.062 1.00 0.00 C ATOM 1259 CG LEU B 22 98.873 -0.847 -11.054 1.00 0.00 C ATOM 1260 CD1 LEU B 22 99.518 -0.388 -9.727 1.00 0.00 C ATOM 1261 CD2 LEU B 22 97.440 -1.340 -10.791 1.00 0.00 C ATOM 0 H LEU B 22 99.252 2.375 -13.324 1.00 0.00 H new ATOM 0 HA LEU B 22 100.878 0.818 -11.613 1.00 0.00 H new ATOM 0 HB2 LEU B 22 98.315 1.170 -11.615 1.00 0.00 H new ATOM 0 HB3 LEU B 22 98.243 0.021 -12.936 1.00 0.00 H new ATOM 0 HG LEU B 22 99.477 -1.655 -11.468 1.00 0.00 H new ATOM 0 HD11 LEU B 22 99.544 -1.223 -9.027 1.00 0.00 H new ATOM 0 HD12 LEU B 22 100.534 -0.042 -9.917 1.00 0.00 H new ATOM 0 HD13 LEU B 22 98.931 0.425 -9.299 1.00 0.00 H new ATOM 0 HD21 LEU B 22 97.464 -2.164 -10.078 1.00 0.00 H new ATOM 0 HD22 LEU B 22 96.844 -0.524 -10.383 1.00 0.00 H new ATOM 0 HD23 LEU B 22 96.996 -1.682 -11.726 1.00 0.00 H new ATOM 1273 N ILE B 23 100.340 -0.489 -14.614 1.00 0.00 N ATOM 1274 CA ILE B 23 100.853 -1.501 -15.534 1.00 0.00 C ATOM 1275 C ILE B 23 102.345 -1.284 -15.756 1.00 0.00 C ATOM 1276 O ILE B 23 103.135 -2.226 -15.693 1.00 0.00 O ATOM 1277 CB ILE B 23 100.114 -1.436 -16.878 1.00 0.00 C ATOM 1278 CG1 ILE B 23 98.595 -1.419 -16.647 1.00 0.00 C ATOM 1279 CG2 ILE B 23 100.480 -2.658 -17.733 1.00 0.00 C ATOM 1280 CD1 ILE B 23 98.180 -2.577 -15.735 1.00 0.00 C ATOM 0 H ILE B 23 99.591 0.093 -14.990 1.00 0.00 H new ATOM 0 HA ILE B 23 100.689 -2.485 -15.095 1.00 0.00 H new ATOM 0 HB ILE B 23 100.411 -0.524 -17.395 1.00 0.00 H new ATOM 0 HG12 ILE B 23 98.300 -0.471 -16.198 1.00 0.00 H new ATOM 0 HG13 ILE B 23 98.075 -1.495 -17.602 1.00 0.00 H new ATOM 0 HG21 ILE B 23 99.953 -2.607 -18.686 1.00 0.00 H new ATOM 0 HG22 ILE B 23 101.555 -2.667 -17.913 1.00 0.00 H new ATOM 0 HG23 ILE B 23 100.192 -3.569 -17.208 1.00 0.00 H new ATOM 0 HD11 ILE B 23 97.101 -2.551 -15.581 1.00 0.00 H new ATOM 0 HD12 ILE B 23 98.457 -3.523 -16.199 1.00 0.00 H new ATOM 0 HD13 ILE B 23 98.686 -2.483 -14.774 1.00 0.00 H new ATOM 1292 N ALA B 24 102.732 -0.034 -15.997 1.00 0.00 N ATOM 1293 CA ALA B 24 104.143 0.279 -16.203 1.00 0.00 C ATOM 1294 C ALA B 24 104.967 -0.279 -15.046 1.00 0.00 C ATOM 1295 O ALA B 24 105.979 -0.956 -15.252 1.00 0.00 O ATOM 1296 CB ALA B 24 104.337 1.794 -16.288 1.00 0.00 C ATOM 0 H ALA B 24 102.101 0.766 -16.054 1.00 0.00 H new ATOM 0 HA ALA B 24 104.475 -0.175 -17.137 1.00 0.00 H new ATOM 0 HB1 ALA B 24 105.393 2.018 -16.442 1.00 0.00 H new ATOM 0 HB2 ALA B 24 103.757 2.189 -17.122 1.00 0.00 H new ATOM 0 HB3 ALA B 24 103.999 2.257 -15.361 1.00 0.00 H new ATOM 1302 N LEU B 25 104.518 -0.003 -13.826 1.00 0.00 N ATOM 1303 CA LEU B 25 105.214 -0.498 -12.648 1.00 0.00 C ATOM 1304 C LEU B 25 105.330 -2.015 -12.731 1.00 0.00 C ATOM 1305 O LEU B 25 106.342 -2.595 -12.338 1.00 0.00 O ATOM 1306 CB LEU B 25 104.453 -0.091 -11.379 1.00 0.00 C ATOM 1307 CG LEU B 25 105.090 -0.733 -10.138 1.00 0.00 C ATOM 1308 CD1 LEU B 25 106.587 -0.395 -10.076 1.00 0.00 C ATOM 1309 CD2 LEU B 25 104.391 -0.193 -8.887 1.00 0.00 C ATOM 0 H LEU B 25 103.686 0.554 -13.630 1.00 0.00 H new ATOM 0 HA LEU B 25 106.213 -0.064 -12.607 1.00 0.00 H new ATOM 0 HB2 LEU B 25 104.459 0.994 -11.277 1.00 0.00 H new ATOM 0 HB3 LEU B 25 103.410 -0.398 -11.459 1.00 0.00 H new ATOM 0 HG LEU B 25 104.977 -1.816 -10.192 1.00 0.00 H new ATOM 0 HD11 LEU B 25 107.028 -0.856 -9.192 1.00 0.00 H new ATOM 0 HD12 LEU B 25 107.083 -0.775 -10.969 1.00 0.00 H new ATOM 0 HD13 LEU B 25 106.714 0.686 -10.023 1.00 0.00 H new ATOM 0 HD21 LEU B 25 104.836 -0.643 -7.999 1.00 0.00 H new ATOM 0 HD22 LEU B 25 104.509 0.890 -8.843 1.00 0.00 H new ATOM 0 HD23 LEU B 25 103.330 -0.441 -8.927 1.00 0.00 H new ATOM 1321 N ALA B 26 104.284 -2.650 -13.256 1.00 0.00 N ATOM 1322 CA ALA B 26 104.280 -4.100 -13.400 1.00 0.00 C ATOM 1323 C ALA B 26 105.381 -4.538 -14.361 1.00 0.00 C ATOM 1324 O ALA B 26 106.026 -5.565 -14.152 1.00 0.00 O ATOM 1325 CB ALA B 26 102.917 -4.577 -13.914 1.00 0.00 C ATOM 0 H ALA B 26 103.437 -2.187 -13.585 1.00 0.00 H new ATOM 0 HA ALA B 26 104.466 -4.547 -12.423 1.00 0.00 H new ATOM 0 HB1 ALA B 26 102.927 -5.662 -14.017 1.00 0.00 H new ATOM 0 HB2 ALA B 26 102.140 -4.287 -13.207 1.00 0.00 H new ATOM 0 HB3 ALA B 26 102.714 -4.122 -14.883 1.00 0.00 H new ATOM 1331 N VAL B 27 105.601 -3.747 -15.411 1.00 0.00 N ATOM 1332 CA VAL B 27 106.639 -4.068 -16.382 1.00 0.00 C ATOM 1333 C VAL B 27 107.994 -4.098 -15.690 1.00 0.00 C ATOM 1334 O VAL B 27 108.775 -5.032 -15.869 1.00 0.00 O ATOM 1335 CB VAL B 27 106.664 -3.032 -17.508 1.00 0.00 C ATOM 1336 CG1 VAL B 27 107.743 -3.413 -18.524 1.00 0.00 C ATOM 1337 CG2 VAL B 27 105.301 -2.993 -18.200 1.00 0.00 C ATOM 0 H VAL B 27 105.081 -2.892 -15.607 1.00 0.00 H new ATOM 0 HA VAL B 27 106.422 -5.046 -16.811 1.00 0.00 H new ATOM 0 HB VAL B 27 106.885 -2.049 -17.092 1.00 0.00 H new ATOM 0 HG11 VAL B 27 107.763 -2.676 -19.327 1.00 0.00 H new ATOM 0 HG12 VAL B 27 108.715 -3.438 -18.031 1.00 0.00 H new ATOM 0 HG13 VAL B 27 107.521 -4.396 -18.939 1.00 0.00 H new ATOM 0 HG21 VAL B 27 105.321 -2.255 -19.002 1.00 0.00 H new ATOM 0 HG22 VAL B 27 105.076 -3.975 -18.617 1.00 0.00 H new ATOM 0 HG23 VAL B 27 104.533 -2.722 -17.476 1.00 0.00 H new ATOM 1347 N TYR B 28 108.263 -3.069 -14.892 1.00 0.00 N ATOM 1348 CA TYR B 28 109.528 -2.996 -14.168 1.00 0.00 C ATOM 1349 C TYR B 28 109.662 -4.183 -13.220 1.00 0.00 C ATOM 1350 O TYR B 28 110.737 -4.768 -13.086 1.00 0.00 O ATOM 1351 CB TYR B 28 109.605 -1.694 -13.370 1.00 0.00 C ATOM 1352 CG TYR B 28 110.936 -1.621 -12.660 1.00 0.00 C ATOM 1353 CD1 TYR B 28 111.084 -2.187 -11.388 1.00 0.00 C ATOM 1354 CD2 TYR B 28 112.023 -0.990 -13.276 1.00 0.00 C ATOM 1355 CE1 TYR B 28 112.319 -2.121 -10.733 1.00 0.00 C ATOM 1356 CE2 TYR B 28 113.258 -0.925 -12.621 1.00 0.00 C ATOM 1357 CZ TYR B 28 113.406 -1.490 -11.349 1.00 0.00 C ATOM 1358 OH TYR B 28 114.624 -1.426 -10.702 1.00 0.00 O ATOM 0 H TYR B 28 107.632 -2.284 -14.731 1.00 0.00 H new ATOM 0 HA TYR B 28 110.343 -3.022 -14.892 1.00 0.00 H new ATOM 0 HB2 TYR B 28 109.488 -0.839 -14.036 1.00 0.00 H new ATOM 0 HB3 TYR B 28 108.791 -1.649 -12.646 1.00 0.00 H new ATOM 0 HD1 TYR B 28 110.246 -2.674 -10.913 1.00 0.00 H new ATOM 0 HD2 TYR B 28 111.909 -0.553 -14.257 1.00 0.00 H new ATOM 0 HE1 TYR B 28 112.433 -2.557 -9.752 1.00 0.00 H new ATOM 0 HE2 TYR B 28 114.097 -0.439 -13.097 1.00 0.00 H new ATOM 0 HH TYR B 28 115.271 -0.956 -11.268 1.00 0.00 H new ATOM 1368 N PHE B 29 108.558 -4.532 -12.566 1.00 0.00 N ATOM 1369 CA PHE B 29 108.547 -5.650 -11.630 1.00 0.00 C ATOM 1370 C PHE B 29 108.969 -6.941 -12.331 1.00 0.00 C ATOM 1371 O PHE B 29 109.768 -7.714 -11.800 1.00 0.00 O ATOM 1372 CB PHE B 29 107.139 -5.805 -11.042 1.00 0.00 C ATOM 1373 CG PHE B 29 107.046 -7.080 -10.227 1.00 0.00 C ATOM 1374 CD1 PHE B 29 107.883 -7.266 -9.119 1.00 0.00 C ATOM 1375 CD2 PHE B 29 106.121 -8.074 -10.580 1.00 0.00 C ATOM 1376 CE1 PHE B 29 107.795 -8.443 -8.366 1.00 0.00 C ATOM 1377 CE2 PHE B 29 106.034 -9.250 -9.825 1.00 0.00 C ATOM 1378 CZ PHE B 29 106.871 -9.435 -8.718 1.00 0.00 C ATOM 0 H PHE B 29 107.661 -4.057 -12.667 1.00 0.00 H new ATOM 0 HA PHE B 29 109.257 -5.450 -10.827 1.00 0.00 H new ATOM 0 HB2 PHE B 29 106.903 -4.946 -10.414 1.00 0.00 H new ATOM 0 HB3 PHE B 29 106.402 -5.824 -11.845 1.00 0.00 H new ATOM 0 HD1 PHE B 29 108.596 -6.502 -8.846 1.00 0.00 H new ATOM 0 HD2 PHE B 29 105.476 -7.932 -11.434 1.00 0.00 H new ATOM 0 HE1 PHE B 29 108.441 -8.586 -7.512 1.00 0.00 H new ATOM 0 HE2 PHE B 29 105.321 -10.014 -10.097 1.00 0.00 H new ATOM 0 HZ PHE B 29 106.804 -10.342 -8.136 1.00 0.00 H new ATOM 1388 N LEU B 30 108.425 -7.170 -13.521 1.00 0.00 N ATOM 1389 CA LEU B 30 108.750 -8.372 -14.281 1.00 0.00 C ATOM 1390 C LEU B 30 110.253 -8.448 -14.540 1.00 0.00 C ATOM 1391 O LEU B 30 110.853 -9.519 -14.457 1.00 0.00 O ATOM 1392 CB LEU B 30 107.986 -8.363 -15.612 1.00 0.00 C ATOM 1393 CG LEU B 30 108.414 -9.547 -16.492 1.00 0.00 C ATOM 1394 CD1 LEU B 30 108.265 -10.866 -15.719 1.00 0.00 C ATOM 1395 CD2 LEU B 30 107.525 -9.586 -17.740 1.00 0.00 C ATOM 0 H LEU B 30 107.762 -6.544 -13.978 1.00 0.00 H new ATOM 0 HA LEU B 30 108.454 -9.247 -13.702 1.00 0.00 H new ATOM 0 HB2 LEU B 30 106.914 -8.414 -15.422 1.00 0.00 H new ATOM 0 HB3 LEU B 30 108.173 -7.427 -16.138 1.00 0.00 H new ATOM 0 HG LEU B 30 109.458 -9.423 -16.778 1.00 0.00 H new ATOM 0 HD11 LEU B 30 108.572 -11.697 -16.354 1.00 0.00 H new ATOM 0 HD12 LEU B 30 108.893 -10.839 -14.829 1.00 0.00 H new ATOM 0 HD13 LEU B 30 107.224 -11.000 -15.425 1.00 0.00 H new ATOM 0 HD21 LEU B 30 107.821 -10.424 -18.372 1.00 0.00 H new ATOM 0 HD22 LEU B 30 106.484 -9.707 -17.441 1.00 0.00 H new ATOM 0 HD23 LEU B 30 107.637 -8.655 -18.296 1.00 0.00 H new