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= -0.0157 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 140:sc= -0.431 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 81:sc= 1.19 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= -0.851 (180deg=-0.962) USER MOD Single : A 53 THR OG1 : rot -83:sc= 0.504 USER MOD Single : B 5 SER OG : rot -170:sc= -1.23 USER MOD Single : B 20 THR OG1 : rot 76:sc= -0.115 USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N THR A 3 71.741 13.929 -19.728 1.00 0.00 N ATOM 22 CA THR A 3 73.154 13.694 -19.445 1.00 0.00 C ATOM 23 C THR A 3 73.763 12.771 -20.496 1.00 0.00 C ATOM 24 O THR A 3 73.173 12.550 -21.554 1.00 0.00 O ATOM 25 CB THR A 3 73.308 13.063 -18.059 1.00 0.00 C ATOM 26 OG1 THR A 3 72.993 11.680 -18.132 1.00 0.00 O ATOM 27 CG2 THR A 3 72.362 13.753 -17.074 1.00 0.00 C ATOM 0 HA THR A 3 73.677 14.650 -19.470 1.00 0.00 H new ATOM 0 HB THR A 3 74.336 13.184 -17.717 1.00 0.00 H new ATOM 0 HG1 THR A 3 73.093 11.275 -17.245 1.00 0.00 H new ATOM 0 HG21 THR A 3 72.472 13.303 -16.087 1.00 0.00 H new ATOM 0 HG22 THR A 3 72.606 14.814 -17.018 1.00 0.00 H new ATOM 0 HG23 THR A 3 71.333 13.634 -17.414 1.00 0.00 H new ATOM 35 N VAL A 4 74.947 12.233 -20.192 1.00 0.00 N ATOM 36 CA VAL A 4 75.647 11.327 -21.109 1.00 0.00 C ATOM 37 C VAL A 4 75.421 11.726 -22.564 1.00 0.00 C ATOM 38 O VAL A 4 75.322 10.875 -23.448 1.00 0.00 O ATOM 39 CB VAL A 4 75.189 9.883 -20.876 1.00 0.00 C ATOM 40 CG1 VAL A 4 75.560 9.463 -19.452 1.00 0.00 C ATOM 41 CG2 VAL A 4 73.670 9.773 -21.052 1.00 0.00 C ATOM 0 H VAL A 4 75.442 12.409 -19.318 1.00 0.00 H new ATOM 0 HA VAL A 4 76.715 11.400 -20.905 1.00 0.00 H new ATOM 0 HB VAL A 4 75.680 9.233 -21.600 1.00 0.00 H new ATOM 0 HG11 VAL A 4 75.237 8.436 -19.280 1.00 0.00 H new ATOM 0 HG12 VAL A 4 76.640 9.530 -19.323 1.00 0.00 H new ATOM 0 HG13 VAL A 4 75.068 10.123 -18.738 1.00 0.00 H new ATOM 0 HG21 VAL A 4 73.358 8.742 -20.884 1.00 0.00 H new ATOM 0 HG22 VAL A 4 73.172 10.425 -20.334 1.00 0.00 H new ATOM 0 HG23 VAL A 4 73.398 10.074 -22.064 1.00 0.00 H new ATOM 51 N SER A 5 75.360 13.031 -22.799 1.00 0.00 N ATOM 52 CA SER A 5 75.167 13.556 -24.144 1.00 0.00 C ATOM 53 C SER A 5 76.502 13.599 -24.897 1.00 0.00 C ATOM 54 O SER A 5 76.559 13.278 -26.085 1.00 0.00 O ATOM 55 CB SER A 5 74.533 14.956 -24.080 1.00 0.00 C ATOM 56 OG SER A 5 73.562 15.074 -25.112 1.00 0.00 O ATOM 0 H SER A 5 75.441 13.745 -22.075 1.00 0.00 H new ATOM 0 HA SER A 5 74.491 12.895 -24.686 1.00 0.00 H new ATOM 0 HB2 SER A 5 74.069 15.114 -23.107 1.00 0.00 H new ATOM 0 HB3 SER A 5 75.300 15.722 -24.196 1.00 0.00 H new ATOM 0 HG SER A 5 73.153 15.964 -25.076 1.00 0.00 H new ATOM 62 N PRO A 6 77.573 13.979 -24.235 1.00 0.00 N ATOM 63 CA PRO A 6 78.928 14.048 -24.864 1.00 0.00 C ATOM 64 C PRO A 6 79.257 12.809 -25.677 1.00 0.00 C ATOM 65 O PRO A 6 79.834 12.913 -26.760 1.00 0.00 O ATOM 66 CB PRO A 6 79.857 14.214 -23.661 1.00 0.00 C ATOM 67 CG PRO A 6 79.028 14.987 -22.695 1.00 0.00 C ATOM 68 CD PRO A 6 77.632 14.389 -22.816 1.00 0.00 C ATOM 0 HA PRO A 6 79.016 14.859 -25.587 1.00 0.00 H new ATOM 0 HB2 PRO A 6 80.160 13.251 -23.251 1.00 0.00 H new ATOM 0 HB3 PRO A 6 80.769 14.749 -23.927 1.00 0.00 H new ATOM 0 HG2 PRO A 6 79.412 14.892 -21.679 1.00 0.00 H new ATOM 0 HG3 PRO A 6 79.026 16.050 -22.937 1.00 0.00 H new ATOM 0 HD2 PRO A 6 77.495 13.542 -22.144 1.00 0.00 H new ATOM 0 HD3 PRO A 6 76.858 15.117 -22.573 1.00 0.00 H new ATOM 76 N GLY A 7 78.891 11.642 -25.166 1.00 0.00 N ATOM 77 CA GLY A 7 79.184 10.406 -25.893 1.00 0.00 C ATOM 78 C GLY A 7 80.681 10.149 -25.855 1.00 0.00 C ATOM 79 O GLY A 7 81.130 9.053 -25.520 1.00 0.00 O ATOM 0 H GLY A 7 78.405 11.520 -24.278 1.00 0.00 H new ATOM 0 HA2 GLY A 7 78.648 9.570 -25.444 1.00 0.00 H new ATOM 0 HA3 GLY A 7 78.843 10.487 -26.925 1.00 0.00 H new ATOM 83 N VAL A 8 81.459 11.185 -26.166 1.00 0.00 N ATOM 84 CA VAL A 8 82.903 11.065 -26.122 1.00 0.00 C ATOM 85 C VAL A 8 83.286 10.554 -24.748 1.00 0.00 C ATOM 86 O VAL A 8 84.164 9.697 -24.606 1.00 0.00 O ATOM 87 CB VAL A 8 83.562 12.421 -26.386 1.00 0.00 C ATOM 88 CG1 VAL A 8 85.068 12.321 -26.137 1.00 0.00 C ATOM 89 CG2 VAL A 8 83.314 12.827 -27.841 1.00 0.00 C ATOM 0 H VAL A 8 81.113 12.103 -26.447 1.00 0.00 H new ATOM 0 HA VAL A 8 83.245 10.374 -26.892 1.00 0.00 H new ATOM 0 HB VAL A 8 83.135 13.168 -25.716 1.00 0.00 H new ATOM 0 HG11 VAL A 8 85.533 13.288 -26.326 1.00 0.00 H new ATOM 0 HG12 VAL A 8 85.247 12.028 -25.102 1.00 0.00 H new ATOM 0 HG13 VAL A 8 85.498 11.575 -26.805 1.00 0.00 H new ATOM 0 HG21 VAL A 8 83.782 13.793 -28.034 1.00 0.00 H new ATOM 0 HG22 VAL A 8 83.742 12.077 -28.506 1.00 0.00 H new ATOM 0 HG23 VAL A 8 82.241 12.901 -28.020 1.00 0.00 H new ATOM 99 N LEU A 9 82.587 11.054 -23.729 1.00 0.00 N ATOM 100 CA LEU A 9 82.856 10.584 -22.378 1.00 0.00 C ATOM 101 C LEU A 9 82.693 9.061 -22.364 1.00 0.00 C ATOM 102 O LEU A 9 83.472 8.330 -21.741 1.00 0.00 O ATOM 103 CB LEU A 9 81.908 11.244 -21.372 1.00 0.00 C ATOM 104 CG LEU A 9 82.262 12.736 -21.209 1.00 0.00 C ATOM 105 CD1 LEU A 9 81.233 13.400 -20.289 1.00 0.00 C ATOM 106 CD2 LEU A 9 83.674 12.898 -20.601 1.00 0.00 C ATOM 0 H LEU A 9 81.855 11.760 -23.810 1.00 0.00 H new ATOM 0 HA LEU A 9 83.871 10.852 -22.085 1.00 0.00 H new ATOM 0 HB2 LEU A 9 80.877 11.142 -21.711 1.00 0.00 H new ATOM 0 HB3 LEU A 9 81.978 10.738 -20.409 1.00 0.00 H new ATOM 0 HG LEU A 9 82.249 13.210 -22.190 1.00 0.00 H new ATOM 0 HD11 LEU A 9 81.479 14.455 -20.170 1.00 0.00 H new ATOM 0 HD12 LEU A 9 80.239 13.306 -20.727 1.00 0.00 H new ATOM 0 HD13 LEU A 9 81.248 12.912 -19.314 1.00 0.00 H new ATOM 0 HD21 LEU A 9 83.905 13.958 -20.494 1.00 0.00 H new ATOM 0 HD22 LEU A 9 83.706 12.419 -19.622 1.00 0.00 H new ATOM 0 HD23 LEU A 9 84.408 12.431 -21.257 1.00 0.00 H new ATOM 118 N ALA A 10 81.704 8.573 -23.106 1.00 0.00 N ATOM 119 CA ALA A 10 81.508 7.137 -23.204 1.00 0.00 C ATOM 120 C ALA A 10 82.763 6.538 -23.829 1.00 0.00 C ATOM 121 O ALA A 10 83.177 5.423 -23.498 1.00 0.00 O ATOM 122 CB ALA A 10 80.276 6.817 -24.062 1.00 0.00 C ATOM 0 H ALA A 10 81.041 9.138 -23.636 1.00 0.00 H new ATOM 0 HA ALA A 10 81.337 6.712 -22.215 1.00 0.00 H new ATOM 0 HB1 ALA A 10 80.146 5.737 -24.123 1.00 0.00 H new ATOM 0 HB2 ALA A 10 79.391 7.264 -23.609 1.00 0.00 H new ATOM 0 HB3 ALA A 10 80.415 7.223 -25.064 1.00 0.00 H new ATOM 128 N GLY A 11 83.377 7.317 -24.723 1.00 0.00 N ATOM 129 CA GLY A 11 84.602 6.896 -25.385 1.00 0.00 C ATOM 130 C GLY A 11 85.719 6.723 -24.363 1.00 0.00 C ATOM 131 O GLY A 11 86.583 5.868 -24.520 1.00 0.00 O ATOM 0 H GLY A 11 83.042 8.240 -25.001 1.00 0.00 H new ATOM 0 HA2 GLY A 11 84.434 5.958 -25.914 1.00 0.00 H new ATOM 0 HA3 GLY A 11 84.893 7.635 -26.131 1.00 0.00 H new ATOM 135 N ILE A 12 85.684 7.535 -23.308 1.00 0.00 N ATOM 136 CA ILE A 12 86.691 7.442 -22.251 1.00 0.00 C ATOM 137 C ILE A 12 86.520 6.120 -21.520 1.00 0.00 C ATOM 138 O ILE A 12 87.499 5.448 -21.205 1.00 0.00 O ATOM 139 CB ILE A 12 86.569 8.630 -21.268 1.00 0.00 C ATOM 140 CG1 ILE A 12 86.989 9.910 -22.015 1.00 0.00 C ATOM 141 CG2 ILE A 12 87.455 8.427 -19.994 1.00 0.00 C ATOM 142 CD1 ILE A 12 86.813 11.138 -21.113 1.00 0.00 C ATOM 0 H ILE A 12 84.978 8.257 -23.162 1.00 0.00 H new ATOM 0 HA ILE A 12 87.685 7.485 -22.696 1.00 0.00 H new ATOM 0 HB ILE A 12 85.538 8.705 -20.924 1.00 0.00 H new ATOM 0 HG12 ILE A 12 88.029 9.829 -22.331 1.00 0.00 H new ATOM 0 HG13 ILE A 12 86.389 10.025 -22.918 1.00 0.00 H new ATOM 0 HG21 ILE A 12 87.340 9.284 -19.330 1.00 0.00 H new ATOM 0 HG22 ILE A 12 87.143 7.521 -19.474 1.00 0.00 H new ATOM 0 HG23 ILE A 12 88.500 8.334 -20.289 1.00 0.00 H new ATOM 0 HD11 ILE A 12 87.114 12.034 -21.656 1.00 0.00 H new ATOM 0 HD12 ILE A 12 85.767 11.226 -20.819 1.00 0.00 H new ATOM 0 HD13 ILE A 12 87.432 11.027 -20.223 1.00 0.00 H new ATOM 154 N VAL A 13 85.274 5.745 -21.254 1.00 0.00 N ATOM 155 CA VAL A 13 85.021 4.483 -20.559 1.00 0.00 C ATOM 156 C VAL A 13 85.593 3.310 -21.355 1.00 0.00 C ATOM 157 O VAL A 13 86.403 2.522 -20.843 1.00 0.00 O ATOM 158 CB VAL A 13 83.517 4.287 -20.364 1.00 0.00 C ATOM 159 CG1 VAL A 13 83.270 3.019 -19.544 1.00 0.00 C ATOM 160 CG2 VAL A 13 82.937 5.493 -19.622 1.00 0.00 C ATOM 0 H VAL A 13 84.441 6.279 -21.500 1.00 0.00 H new ATOM 0 HA VAL A 13 85.510 4.520 -19.586 1.00 0.00 H new ATOM 0 HB VAL A 13 83.035 4.192 -21.337 1.00 0.00 H new ATOM 0 HG11 VAL A 13 82.198 2.879 -19.405 1.00 0.00 H new ATOM 0 HG12 VAL A 13 83.683 2.159 -20.071 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.753 3.115 -18.571 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.865 5.353 -19.483 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.420 5.588 -18.649 1.00 0.00 H new ATOM 0 HG23 VAL A 13 83.113 6.397 -20.204 1.00 0.00 H new ATOM 170 N VAL A 14 85.180 3.205 -22.613 1.00 0.00 N ATOM 171 CA VAL A 14 85.662 2.132 -23.474 1.00 0.00 C ATOM 172 C VAL A 14 87.176 2.221 -23.642 1.00 0.00 C ATOM 173 O VAL A 14 87.866 1.204 -23.708 1.00 0.00 O ATOM 174 CB VAL A 14 84.992 2.225 -24.847 1.00 0.00 C ATOM 175 CG1 VAL A 14 85.537 1.122 -25.756 1.00 0.00 C ATOM 176 CG2 VAL A 14 83.479 2.053 -24.688 1.00 0.00 C ATOM 0 H VAL A 14 84.519 3.843 -23.056 1.00 0.00 H new ATOM 0 HA VAL A 14 85.412 1.178 -23.009 1.00 0.00 H new ATOM 0 HB VAL A 14 85.203 3.198 -25.290 1.00 0.00 H new ATOM 0 HG11 VAL A 14 85.060 1.188 -26.734 1.00 0.00 H new ATOM 0 HG12 VAL A 14 86.614 1.243 -25.869 1.00 0.00 H new ATOM 0 HG13 VAL A 14 85.325 0.148 -25.314 1.00 0.00 H new ATOM 0 HG21 VAL A 14 83.001 2.119 -25.665 1.00 0.00 H new ATOM 0 HG22 VAL A 14 83.268 1.079 -24.246 1.00 0.00 H new ATOM 0 HG23 VAL A 14 83.090 2.838 -24.040 1.00 0.00 H new ATOM 186 N GLY A 15 87.681 3.446 -23.716 1.00 0.00 N ATOM 187 CA GLY A 15 89.110 3.674 -23.882 1.00 0.00 C ATOM 188 C GLY A 15 89.899 3.131 -22.700 1.00 0.00 C ATOM 189 O GLY A 15 90.964 2.555 -22.878 1.00 0.00 O ATOM 0 H GLY A 15 87.121 4.297 -23.664 1.00 0.00 H new ATOM 0 HA2 GLY A 15 89.452 3.196 -24.800 1.00 0.00 H new ATOM 0 HA3 GLY A 15 89.300 4.742 -23.988 1.00 0.00 H new ATOM 193 N ASP A 16 89.371 3.321 -21.495 1.00 0.00 N ATOM 194 CA ASP A 16 90.046 2.842 -20.294 1.00 0.00 C ATOM 195 C ASP A 16 90.129 1.320 -20.306 1.00 0.00 C ATOM 196 O ASP A 16 91.207 0.739 -20.129 1.00 0.00 O ATOM 197 CB ASP A 16 89.284 3.303 -19.051 1.00 0.00 C ATOM 198 CG ASP A 16 90.107 3.026 -17.798 1.00 0.00 C ATOM 199 OD1 ASP A 16 90.981 2.178 -17.862 1.00 0.00 O ATOM 200 OD2 ASP A 16 89.850 3.667 -16.793 1.00 0.00 O ATOM 0 H ASP A 16 88.486 3.799 -21.325 1.00 0.00 H new ATOM 0 HA ASP A 16 91.056 3.252 -20.274 1.00 0.00 H new ATOM 0 HB2 ASP A 16 89.065 4.368 -19.124 1.00 0.00 H new ATOM 0 HB3 ASP A 16 88.327 2.785 -18.989 1.00 0.00 H new ATOM 205 N LEU A 17 88.986 0.678 -20.528 1.00 0.00 N ATOM 206 CA LEU A 17 88.949 -0.781 -20.570 1.00 0.00 C ATOM 207 C LEU A 17 89.922 -1.294 -21.629 1.00 0.00 C ATOM 208 O LEU A 17 90.714 -2.207 -21.379 1.00 0.00 O ATOM 209 CB LEU A 17 87.525 -1.250 -20.897 1.00 0.00 C ATOM 210 CG LEU A 17 87.429 -2.783 -20.833 1.00 0.00 C ATOM 211 CD1 LEU A 17 87.603 -3.275 -19.384 1.00 0.00 C ATOM 212 CD2 LEU A 17 86.056 -3.212 -21.361 1.00 0.00 C ATOM 0 H LEU A 17 88.087 1.135 -20.679 1.00 0.00 H new ATOM 0 HA LEU A 17 89.243 -1.177 -19.598 1.00 0.00 H new ATOM 0 HB2 LEU A 17 86.820 -0.807 -20.193 1.00 0.00 H new ATOM 0 HB3 LEU A 17 87.242 -0.904 -21.891 1.00 0.00 H new ATOM 0 HG LEU A 17 88.220 -3.220 -21.442 1.00 0.00 H new ATOM 0 HD11 LEU A 17 87.532 -4.362 -19.358 1.00 0.00 H new ATOM 0 HD12 LEU A 17 88.579 -2.966 -19.010 1.00 0.00 H new ATOM 0 HD13 LEU A 17 86.821 -2.845 -18.758 1.00 0.00 H new ATOM 0 HD21 LEU A 17 85.974 -4.298 -21.321 1.00 0.00 H new ATOM 0 HD22 LEU A 17 85.274 -2.766 -20.746 1.00 0.00 H new ATOM 0 HD23 LEU A 17 85.942 -2.877 -22.392 1.00 0.00 H new ATOM 224 N VAL A 18 89.858 -0.691 -22.810 1.00 0.00 N ATOM 225 CA VAL A 18 90.730 -1.079 -23.910 1.00 0.00 C ATOM 226 C VAL A 18 92.193 -0.815 -23.560 1.00 0.00 C ATOM 227 O VAL A 18 93.082 -1.499 -24.056 1.00 0.00 O ATOM 228 CB VAL A 18 90.348 -0.300 -25.174 1.00 0.00 C ATOM 229 CG1 VAL A 18 91.371 -0.566 -26.282 1.00 0.00 C ATOM 230 CG2 VAL A 18 88.960 -0.748 -25.646 1.00 0.00 C ATOM 0 H VAL A 18 89.212 0.067 -23.030 1.00 0.00 H new ATOM 0 HA VAL A 18 90.606 -2.147 -24.090 1.00 0.00 H new ATOM 0 HB VAL A 18 90.335 0.766 -24.947 1.00 0.00 H new ATOM 0 HG11 VAL A 18 91.092 -0.009 -27.176 1.00 0.00 H new ATOM 0 HG12 VAL A 18 92.359 -0.247 -25.949 1.00 0.00 H new ATOM 0 HG13 VAL A 18 91.391 -1.632 -26.510 1.00 0.00 H new ATOM 0 HG21 VAL A 18 88.686 -0.196 -26.545 1.00 0.00 H new ATOM 0 HG22 VAL A 18 88.978 -1.815 -25.867 1.00 0.00 H new ATOM 0 HG23 VAL A 18 88.228 -0.552 -24.862 1.00 0.00 H new ATOM 240 N LEU A 19 92.438 0.180 -22.714 1.00 0.00 N ATOM 241 CA LEU A 19 93.806 0.510 -22.327 1.00 0.00 C ATOM 242 C LEU A 19 94.421 -0.654 -21.554 1.00 0.00 C ATOM 243 O LEU A 19 95.461 -1.188 -21.943 1.00 0.00 O ATOM 244 CB LEU A 19 93.814 1.789 -21.464 1.00 0.00 C ATOM 245 CG LEU A 19 95.157 2.534 -21.592 1.00 0.00 C ATOM 246 CD1 LEU A 19 96.311 1.582 -21.270 1.00 0.00 C ATOM 247 CD2 LEU A 19 95.334 3.105 -23.018 1.00 0.00 C ATOM 0 H LEU A 19 91.719 0.765 -22.288 1.00 0.00 H new ATOM 0 HA LEU A 19 94.399 0.689 -23.224 1.00 0.00 H new ATOM 0 HB2 LEU A 19 93.000 2.445 -21.772 1.00 0.00 H new ATOM 0 HB3 LEU A 19 93.636 1.529 -20.420 1.00 0.00 H new ATOM 0 HG LEU A 19 95.160 3.363 -20.884 1.00 0.00 H new ATOM 0 HD11 LEU A 19 97.258 2.114 -21.362 1.00 0.00 H new ATOM 0 HD12 LEU A 19 96.202 1.209 -20.252 1.00 0.00 H new ATOM 0 HD13 LEU A 19 96.296 0.744 -21.967 1.00 0.00 H new ATOM 0 HD21 LEU A 19 96.289 3.627 -23.085 1.00 0.00 H new ATOM 0 HD22 LEU A 19 95.314 2.290 -23.741 1.00 0.00 H new ATOM 0 HD23 LEU A 19 94.524 3.802 -23.234 1.00 0.00 H new ATOM 259 N THR A 20 93.767 -1.054 -20.467 1.00 0.00 N ATOM 260 CA THR A 20 94.265 -2.164 -19.670 1.00 0.00 C ATOM 261 C THR A 20 94.434 -3.414 -20.533 1.00 0.00 C ATOM 262 O THR A 20 95.402 -4.155 -20.377 1.00 0.00 O ATOM 263 CB THR A 20 93.298 -2.460 -18.517 1.00 0.00 C ATOM 264 OG1 THR A 20 93.319 -1.378 -17.598 1.00 0.00 O ATOM 265 CG2 THR A 20 93.714 -3.750 -17.802 1.00 0.00 C ATOM 0 H THR A 20 92.904 -0.632 -20.124 1.00 0.00 H new ATOM 0 HA THR A 20 95.237 -1.885 -19.263 1.00 0.00 H new ATOM 0 HB THR A 20 92.291 -2.584 -18.915 1.00 0.00 H new ATOM 0 HG1 THR A 20 92.408 -1.197 -17.285 1.00 0.00 H new ATOM 0 HG21 THR A 20 93.022 -3.952 -16.985 1.00 0.00 H new ATOM 0 HG22 THR A 20 93.694 -4.580 -18.508 1.00 0.00 H new ATOM 0 HG23 THR A 20 94.722 -3.636 -17.404 1.00 0.00 H new ATOM 273 N VAL A 21 93.482 -3.649 -21.430 1.00 0.00 N ATOM 274 CA VAL A 21 93.542 -4.827 -22.294 1.00 0.00 C ATOM 275 C VAL A 21 94.707 -4.745 -23.284 1.00 0.00 C ATOM 276 O VAL A 21 95.278 -5.768 -23.662 1.00 0.00 O ATOM 277 CB VAL A 21 92.228 -4.974 -23.063 1.00 0.00 C ATOM 278 CG1 VAL A 21 92.323 -6.167 -24.017 1.00 0.00 C ATOM 279 CG2 VAL A 21 91.082 -5.207 -22.073 1.00 0.00 C ATOM 0 H VAL A 21 92.670 -3.050 -21.578 1.00 0.00 H new ATOM 0 HA VAL A 21 93.701 -5.697 -21.657 1.00 0.00 H new ATOM 0 HB VAL A 21 92.040 -4.065 -23.635 1.00 0.00 H new ATOM 0 HG11 VAL A 21 91.386 -6.271 -24.564 1.00 0.00 H new ATOM 0 HG12 VAL A 21 93.139 -6.005 -24.722 1.00 0.00 H new ATOM 0 HG13 VAL A 21 92.512 -7.076 -23.445 1.00 0.00 H new ATOM 0 HG21 VAL A 21 90.145 -5.312 -22.620 1.00 0.00 H new ATOM 0 HG22 VAL A 21 91.273 -6.116 -21.503 1.00 0.00 H new ATOM 0 HG23 VAL A 21 91.012 -4.359 -21.392 1.00 0.00 H new ATOM 289 N LEU A 22 95.046 -3.534 -23.718 1.00 0.00 N ATOM 290 CA LEU A 22 96.131 -3.358 -24.683 1.00 0.00 C ATOM 291 C LEU A 22 97.491 -3.649 -24.044 1.00 0.00 C ATOM 292 O LEU A 22 98.250 -4.482 -24.539 1.00 0.00 O ATOM 293 CB LEU A 22 96.103 -1.919 -25.238 1.00 0.00 C ATOM 294 CG LEU A 22 96.684 -1.858 -26.667 1.00 0.00 C ATOM 295 CD1 LEU A 22 98.076 -2.496 -26.694 1.00 0.00 C ATOM 296 CD2 LEU A 22 95.757 -2.584 -27.666 1.00 0.00 C ATOM 0 H LEU A 22 94.593 -2.669 -23.422 1.00 0.00 H new ATOM 0 HA LEU A 22 95.985 -4.066 -25.499 1.00 0.00 H new ATOM 0 HB2 LEU A 22 95.078 -1.549 -25.244 1.00 0.00 H new ATOM 0 HB3 LEU A 22 96.675 -1.263 -24.582 1.00 0.00 H new ATOM 0 HG LEU A 22 96.761 -0.811 -26.962 1.00 0.00 H new ATOM 0 HD11 LEU A 22 98.478 -2.449 -27.706 1.00 0.00 H new ATOM 0 HD12 LEU A 22 98.737 -1.957 -26.015 1.00 0.00 H new ATOM 0 HD13 LEU A 22 98.005 -3.537 -26.380 1.00 0.00 H new ATOM 0 HD21 LEU A 22 96.186 -2.529 -28.667 1.00 0.00 H new ATOM 0 HD22 LEU A 22 95.653 -3.629 -27.373 1.00 0.00 H new ATOM 0 HD23 LEU A 22 94.777 -2.108 -27.665 1.00 0.00 H new ATOM 308 N ILE A 23 97.798 -2.964 -22.946 1.00 0.00 N ATOM 309 CA ILE A 23 99.078 -3.174 -22.276 1.00 0.00 C ATOM 310 C ILE A 23 99.148 -4.576 -21.682 1.00 0.00 C ATOM 311 O ILE A 23 100.164 -5.260 -21.803 1.00 0.00 O ATOM 312 CB ILE A 23 99.285 -2.130 -21.177 1.00 0.00 C ATOM 313 CG1 ILE A 23 99.224 -0.727 -21.791 1.00 0.00 C ATOM 314 CG2 ILE A 23 100.658 -2.341 -20.532 1.00 0.00 C ATOM 315 CD1 ILE A 23 99.236 0.327 -20.680 1.00 0.00 C ATOM 0 H ILE A 23 97.191 -2.271 -22.508 1.00 0.00 H new ATOM 0 HA ILE A 23 99.871 -3.067 -23.016 1.00 0.00 H new ATOM 0 HB ILE A 23 98.505 -2.233 -20.423 1.00 0.00 H new ATOM 0 HG12 ILE A 23 100.072 -0.575 -22.458 1.00 0.00 H new ATOM 0 HG13 ILE A 23 98.322 -0.623 -22.394 1.00 0.00 H new ATOM 0 HG21 ILE A 23 100.810 -1.599 -19.748 1.00 0.00 H new ATOM 0 HG22 ILE A 23 100.707 -3.341 -20.100 1.00 0.00 H new ATOM 0 HG23 ILE A 23 101.436 -2.234 -21.288 1.00 0.00 H new ATOM 0 HD11 ILE A 23 99.193 1.322 -21.122 1.00 0.00 H new ATOM 0 HD12 ILE A 23 98.373 0.181 -20.030 1.00 0.00 H new ATOM 0 HD13 ILE A 23 100.151 0.229 -20.096 1.00 0.00 H new ATOM 327 N ALA A 24 98.062 -5.001 -21.047 1.00 0.00 N ATOM 328 CA ALA A 24 98.013 -6.329 -20.445 1.00 0.00 C ATOM 329 C ALA A 24 98.240 -7.399 -21.509 1.00 0.00 C ATOM 330 O ALA A 24 98.951 -8.380 -21.280 1.00 0.00 O ATOM 331 CB ALA A 24 96.654 -6.551 -19.780 1.00 0.00 C ATOM 0 H ALA A 24 97.210 -4.451 -20.936 1.00 0.00 H new ATOM 0 HA ALA A 24 98.799 -6.400 -19.694 1.00 0.00 H new ATOM 0 HB1 ALA A 24 96.626 -7.545 -19.333 1.00 0.00 H new ATOM 0 HB2 ALA A 24 96.501 -5.800 -19.005 1.00 0.00 H new ATOM 0 HB3 ALA A 24 95.865 -6.467 -20.527 1.00 0.00 H new ATOM 337 N LEU A 25 97.630 -7.201 -22.673 1.00 0.00 N ATOM 338 CA LEU A 25 97.772 -8.150 -23.769 1.00 0.00 C ATOM 339 C LEU A 25 99.193 -8.110 -24.322 1.00 0.00 C ATOM 340 O LEU A 25 99.716 -9.119 -24.790 1.00 0.00 O ATOM 341 CB LEU A 25 96.764 -7.814 -24.878 1.00 0.00 C ATOM 342 CG LEU A 25 96.972 -8.727 -26.095 1.00 0.00 C ATOM 343 CD1 LEU A 25 96.911 -10.202 -25.670 1.00 0.00 C ATOM 344 CD2 LEU A 25 95.868 -8.446 -27.121 1.00 0.00 C ATOM 0 H LEU A 25 97.037 -6.398 -22.880 1.00 0.00 H new ATOM 0 HA LEU A 25 97.573 -9.155 -23.397 1.00 0.00 H new ATOM 0 HB2 LEU A 25 95.748 -7.929 -24.500 1.00 0.00 H new ATOM 0 HB3 LEU A 25 96.877 -6.772 -25.176 1.00 0.00 H new ATOM 0 HG LEU A 25 97.950 -8.528 -26.532 1.00 0.00 H new ATOM 0 HD11 LEU A 25 97.060 -10.838 -26.542 1.00 0.00 H new ATOM 0 HD12 LEU A 25 97.693 -10.402 -24.937 1.00 0.00 H new ATOM 0 HD13 LEU A 25 95.937 -10.413 -25.229 1.00 0.00 H new ATOM 0 HD21 LEU A 25 96.006 -9.089 -27.990 1.00 0.00 H new ATOM 0 HD22 LEU A 25 94.895 -8.646 -26.672 1.00 0.00 H new ATOM 0 HD23 LEU A 25 95.917 -7.402 -27.431 1.00 0.00 H new ATOM 356 N ALA A 26 99.811 -6.934 -24.265 1.00 0.00 N ATOM 357 CA ALA A 26 101.173 -6.774 -24.766 1.00 0.00 C ATOM 358 C ALA A 26 102.151 -7.623 -23.958 1.00 0.00 C ATOM 359 O ALA A 26 102.945 -8.374 -24.523 1.00 0.00 O ATOM 360 CB ALA A 26 101.588 -5.303 -24.692 1.00 0.00 C ATOM 0 H ALA A 26 99.396 -6.085 -23.881 1.00 0.00 H new ATOM 0 HA ALA A 26 101.197 -7.107 -25.804 1.00 0.00 H new ATOM 0 HB1 ALA A 26 102.605 -5.193 -25.068 1.00 0.00 H new ATOM 0 HB2 ALA A 26 100.910 -4.703 -25.299 1.00 0.00 H new ATOM 0 HB3 ALA A 26 101.545 -4.964 -23.657 1.00 0.00 H new ATOM 366 N VAL A 27 102.090 -7.500 -22.635 1.00 0.00 N ATOM 367 CA VAL A 27 102.982 -8.267 -21.771 1.00 0.00 C ATOM 368 C VAL A 27 102.668 -9.757 -21.868 1.00 0.00 C ATOM 369 O VAL A 27 103.571 -10.593 -21.853 1.00 0.00 O ATOM 370 CB VAL A 27 102.848 -7.807 -20.316 1.00 0.00 C ATOM 371 CG1 VAL A 27 103.416 -6.394 -20.172 1.00 0.00 C ATOM 372 CG2 VAL A 27 101.373 -7.802 -19.910 1.00 0.00 C ATOM 0 H VAL A 27 101.442 -6.885 -22.143 1.00 0.00 H new ATOM 0 HA VAL A 27 104.006 -8.096 -22.104 1.00 0.00 H new ATOM 0 HB VAL A 27 103.400 -8.491 -19.671 1.00 0.00 H new ATOM 0 HG11 VAL A 27 103.320 -6.067 -19.137 1.00 0.00 H new ATOM 0 HG12 VAL A 27 104.468 -6.394 -20.457 1.00 0.00 H new ATOM 0 HG13 VAL A 27 102.865 -5.712 -20.820 1.00 0.00 H new ATOM 0 HG21 VAL A 27 101.282 -7.474 -18.874 1.00 0.00 H new ATOM 0 HG22 VAL A 27 100.820 -7.120 -20.556 1.00 0.00 H new ATOM 0 HG23 VAL A 27 100.965 -8.808 -20.010 1.00 0.00 H new ATOM 382 N TYR A 28 101.383 -10.082 -21.967 1.00 0.00 N ATOM 383 CA TYR A 28 100.966 -11.476 -22.067 1.00 0.00 C ATOM 384 C TYR A 28 101.537 -12.117 -23.327 1.00 0.00 C ATOM 385 O TYR A 28 102.072 -13.226 -23.284 1.00 0.00 O ATOM 386 CB TYR A 28 99.438 -11.564 -22.093 1.00 0.00 C ATOM 387 CG TYR A 28 99.019 -13.016 -22.072 1.00 0.00 C ATOM 388 CD1 TYR A 28 99.025 -13.727 -20.867 1.00 0.00 C ATOM 389 CD2 TYR A 28 98.625 -13.650 -23.257 1.00 0.00 C ATOM 390 CE1 TYR A 28 98.638 -15.073 -20.845 1.00 0.00 C ATOM 391 CE2 TYR A 28 98.239 -14.996 -23.235 1.00 0.00 C ATOM 392 CZ TYR A 28 98.245 -15.707 -22.030 1.00 0.00 C ATOM 393 OH TYR A 28 97.864 -17.034 -22.008 1.00 0.00 O ATOM 0 H TYR A 28 100.619 -9.406 -21.980 1.00 0.00 H new ATOM 0 HA TYR A 28 101.345 -12.012 -21.197 1.00 0.00 H new ATOM 0 HB2 TYR A 28 99.018 -11.040 -21.234 1.00 0.00 H new ATOM 0 HB3 TYR A 28 99.050 -11.075 -22.986 1.00 0.00 H new ATOM 0 HD1 TYR A 28 99.328 -13.238 -19.953 1.00 0.00 H new ATOM 0 HD2 TYR A 28 98.619 -13.101 -24.187 1.00 0.00 H new ATOM 0 HE1 TYR A 28 98.643 -15.621 -19.915 1.00 0.00 H new ATOM 0 HE2 TYR A 28 97.936 -15.486 -24.149 1.00 0.00 H new ATOM 0 HH TYR A 28 97.620 -17.319 -22.913 1.00 0.00 H new ATOM 403 N PHE A 29 101.419 -11.413 -24.448 1.00 0.00 N ATOM 404 CA PHE A 29 101.925 -11.921 -25.717 1.00 0.00 C ATOM 405 C PHE A 29 103.450 -11.947 -25.719 1.00 0.00 C ATOM 406 O PHE A 29 104.063 -12.954 -26.071 1.00 0.00 O ATOM 407 CB PHE A 29 101.428 -11.042 -26.866 1.00 0.00 C ATOM 408 CG PHE A 29 101.920 -11.601 -28.179 1.00 0.00 C ATOM 409 CD1 PHE A 29 101.259 -12.685 -28.770 1.00 0.00 C ATOM 410 CD2 PHE A 29 103.037 -11.036 -28.808 1.00 0.00 C ATOM 411 CE1 PHE A 29 101.715 -13.204 -29.988 1.00 0.00 C ATOM 412 CE2 PHE A 29 103.493 -11.555 -30.026 1.00 0.00 C ATOM 413 CZ PHE A 29 102.831 -12.640 -30.616 1.00 0.00 C ATOM 0 H PHE A 29 100.980 -10.494 -24.503 1.00 0.00 H new ATOM 0 HA PHE A 29 101.557 -12.938 -25.850 1.00 0.00 H new ATOM 0 HB2 PHE A 29 100.339 -11.001 -26.862 1.00 0.00 H new ATOM 0 HB3 PHE A 29 101.786 -10.020 -26.737 1.00 0.00 H new ATOM 0 HD1 PHE A 29 100.397 -13.121 -28.286 1.00 0.00 H new ATOM 0 HD2 PHE A 29 103.547 -10.200 -28.353 1.00 0.00 H new ATOM 0 HE1 PHE A 29 101.205 -14.040 -30.443 1.00 0.00 H new ATOM 0 HE2 PHE A 29 104.354 -11.119 -30.510 1.00 0.00 H new ATOM 0 HZ PHE A 29 103.182 -13.041 -31.555 1.00 0.00 H new ATOM 423 N LEU A 30 104.057 -10.832 -25.324 1.00 0.00 N ATOM 424 CA LEU A 30 105.512 -10.739 -25.285 1.00 0.00 C ATOM 425 C LEU A 30 106.084 -11.744 -24.291 1.00 0.00 C ATOM 426 O LEU A 30 107.075 -12.418 -24.573 1.00 0.00 O ATOM 427 CB LEU A 30 105.934 -9.320 -24.884 1.00 0.00 C ATOM 428 CG LEU A 30 107.450 -9.129 -25.106 1.00 0.00 C ATOM 429 CD1 LEU A 30 107.736 -8.765 -26.569 1.00 0.00 C ATOM 430 CD2 LEU A 30 107.963 -7.998 -24.205 1.00 0.00 C ATOM 0 H LEU A 30 103.568 -9.987 -25.029 1.00 0.00 H new ATOM 0 HA LEU A 30 105.901 -10.966 -26.278 1.00 0.00 H new ATOM 0 HB2 LEU A 30 105.379 -8.589 -25.471 1.00 0.00 H new ATOM 0 HB3 LEU A 30 105.688 -9.142 -23.837 1.00 0.00 H new ATOM 0 HG LEU A 30 107.956 -10.063 -24.862 1.00 0.00 H new ATOM 0 HD11 LEU A 30 108.809 -8.634 -26.708 1.00 0.00 H new ATOM 0 HD12 LEU A 30 107.381 -9.565 -27.219 1.00 0.00 H new ATOM 0 HD13 LEU A 30 107.222 -7.838 -26.820 1.00 0.00 H new ATOM 0 HD21 LEU A 30 109.033 -7.864 -24.363 1.00 0.00 H new ATOM 0 HD22 LEU A 30 107.442 -7.073 -24.450 1.00 0.00 H new ATOM 0 HD23 LEU A 30 107.779 -8.253 -23.161 1.00 0.00 H new ATOM 523 N GLU A 37 106.516 -12.732 -9.834 1.00 0.00 N ATOM 524 CA GLU A 37 105.179 -12.844 -9.258 1.00 0.00 C ATOM 525 C GLU A 37 104.117 -12.776 -10.351 1.00 0.00 C ATOM 526 O GLU A 37 103.705 -11.692 -10.764 1.00 0.00 O ATOM 527 CB GLU A 37 104.950 -11.714 -8.251 1.00 0.00 C ATOM 528 CG GLU A 37 103.726 -12.034 -7.390 1.00 0.00 C ATOM 529 CD GLU A 37 104.053 -13.164 -6.421 1.00 0.00 C ATOM 530 OE1 GLU A 37 105.228 -13.385 -6.175 1.00 0.00 O ATOM 531 OE2 GLU A 37 103.126 -13.792 -5.937 1.00 0.00 O ATOM 0 HA GLU A 37 105.101 -13.806 -8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 37 105.830 -11.592 -7.619 1.00 0.00 H new ATOM 0 HB3 GLU A 37 104.801 -10.770 -8.776 1.00 0.00 H new ATOM 0 HG2 GLU A 37 103.418 -11.147 -6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 37 102.888 -12.320 -8.026 1.00 0.00 H new ATOM 538 N VAL A 38 103.677 -13.941 -10.814 1.00 0.00 N ATOM 539 CA VAL A 38 102.661 -14.005 -11.859 1.00 0.00 C ATOM 540 C VAL A 38 101.334 -13.447 -11.352 1.00 0.00 C ATOM 541 O VAL A 38 100.532 -12.925 -12.126 1.00 0.00 O ATOM 542 CB VAL A 38 102.467 -15.455 -12.308 1.00 0.00 C ATOM 543 CG1 VAL A 38 101.372 -15.518 -13.374 1.00 0.00 C ATOM 544 CG2 VAL A 38 103.777 -15.988 -12.890 1.00 0.00 C ATOM 0 H VAL A 38 104.005 -14.849 -10.485 1.00 0.00 H new ATOM 0 HA VAL A 38 102.996 -13.403 -12.704 1.00 0.00 H new ATOM 0 HB VAL A 38 102.175 -16.064 -11.452 1.00 0.00 H new ATOM 0 HG11 VAL A 38 101.234 -16.551 -13.693 1.00 0.00 H new ATOM 0 HG12 VAL A 38 100.438 -15.139 -12.959 1.00 0.00 H new ATOM 0 HG13 VAL A 38 101.662 -14.909 -14.230 1.00 0.00 H new ATOM 0 HG21 VAL A 38 103.639 -17.021 -13.210 1.00 0.00 H new ATOM 0 HG22 VAL A 38 104.070 -15.379 -13.745 1.00 0.00 H new ATOM 0 HG23 VAL A 38 104.557 -15.945 -12.130 1.00 0.00 H new ATOM 554 N LEU A 39 101.110 -13.569 -10.049 1.00 0.00 N ATOM 555 CA LEU A 39 99.875 -13.083 -9.443 1.00 0.00 C ATOM 556 C LEU A 39 99.727 -11.577 -9.648 1.00 0.00 C ATOM 557 O LEU A 39 98.613 -11.060 -9.713 1.00 0.00 O ATOM 558 CB LEU A 39 99.874 -13.405 -7.945 1.00 0.00 C ATOM 559 CG LEU A 39 98.525 -13.026 -7.312 1.00 0.00 C ATOM 560 CD1 LEU A 39 97.395 -13.897 -7.894 1.00 0.00 C ATOM 561 CD2 LEU A 39 98.613 -13.238 -5.796 1.00 0.00 C ATOM 0 H LEU A 39 101.764 -13.998 -9.394 1.00 0.00 H new ATOM 0 HA LEU A 39 99.033 -13.581 -9.924 1.00 0.00 H new ATOM 0 HB2 LEU A 39 100.066 -14.467 -7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 39 100.680 -12.862 -7.450 1.00 0.00 H new ATOM 0 HG LEU A 39 98.304 -11.981 -7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 39 96.447 -13.616 -7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 39 97.336 -13.745 -8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 39 97.601 -14.947 -7.687 1.00 0.00 H new ATOM 0 HD21 LEU A 39 97.661 -12.972 -5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 39 98.838 -14.284 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 39 99.403 -12.609 -5.386 1.00 0.00 H new ATOM 573 N GLY A 40 100.852 -10.877 -9.742 1.00 0.00 N ATOM 574 CA GLY A 40 100.829 -9.429 -9.930 1.00 0.00 C ATOM 575 C GLY A 40 99.995 -9.038 -11.147 1.00 0.00 C ATOM 576 O GLY A 40 99.133 -8.160 -11.065 1.00 0.00 O ATOM 0 H GLY A 40 101.786 -11.284 -9.692 1.00 0.00 H new ATOM 0 HA2 GLY A 40 100.421 -8.951 -9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 40 101.848 -9.060 -10.051 1.00 0.00 H new ATOM 580 N ILE A 41 100.256 -9.687 -12.276 1.00 0.00 N ATOM 581 CA ILE A 41 99.524 -9.389 -13.503 1.00 0.00 C ATOM 582 C ILE A 41 98.020 -9.528 -13.280 1.00 0.00 C ATOM 583 O ILE A 41 97.239 -8.646 -13.645 1.00 0.00 O ATOM 584 CB ILE A 41 99.965 -10.346 -14.614 1.00 0.00 C ATOM 585 CG1 ILE A 41 101.497 -10.437 -14.644 1.00 0.00 C ATOM 586 CG2 ILE A 41 99.456 -9.835 -15.964 1.00 0.00 C ATOM 587 CD1 ILE A 41 102.108 -9.032 -14.685 1.00 0.00 C ATOM 0 H ILE A 41 100.963 -10.417 -12.368 1.00 0.00 H new ATOM 0 HA ILE A 41 99.742 -8.362 -13.795 1.00 0.00 H new ATOM 0 HB ILE A 41 99.550 -11.335 -14.420 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.854 -10.972 -13.764 1.00 0.00 H new ATOM 0 HG13 ILE A 41 101.818 -11.007 -15.516 1.00 0.00 H new ATOM 0 HG21 ILE A 41 99.771 -10.517 -16.754 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.368 -9.779 -15.945 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.867 -8.844 -16.156 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.195 -9.108 -14.706 1.00 0.00 H new ATOM 0 HD12 ILE A 41 101.763 -8.511 -15.579 1.00 0.00 H new ATOM 0 HD13 ILE A 41 101.801 -8.476 -13.800 1.00 0.00 H new ATOM 599 N ILE A 42 97.618 -10.637 -12.679 1.00 0.00 N ATOM 600 CA ILE A 42 96.207 -10.874 -12.416 1.00 0.00 C ATOM 601 C ILE A 42 95.649 -9.799 -11.490 1.00 0.00 C ATOM 602 O ILE A 42 94.492 -9.403 -11.611 1.00 0.00 O ATOM 603 CB ILE A 42 96.018 -12.249 -11.773 1.00 0.00 C ATOM 604 CG1 ILE A 42 96.596 -13.327 -12.694 1.00 0.00 C ATOM 605 CG2 ILE A 42 94.527 -12.511 -11.557 1.00 0.00 C ATOM 606 CD1 ILE A 42 96.642 -14.663 -11.948 1.00 0.00 C ATOM 0 H ILE A 42 98.242 -11.381 -12.367 1.00 0.00 H new ATOM 0 HA ILE A 42 95.670 -10.839 -13.364 1.00 0.00 H new ATOM 0 HB ILE A 42 96.534 -12.275 -10.813 1.00 0.00 H new ATOM 0 HG12 ILE A 42 95.984 -13.420 -13.591 1.00 0.00 H new ATOM 0 HG13 ILE A 42 97.597 -13.045 -13.019 1.00 0.00 H new ATOM 0 HG21 ILE A 42 94.392 -13.491 -11.099 1.00 0.00 H new ATOM 0 HG22 ILE A 42 94.114 -11.744 -10.902 1.00 0.00 H new ATOM 0 HG23 ILE A 42 94.010 -12.485 -12.516 1.00 0.00 H new ATOM 0 HD11 ILE A 42 97.053 -15.431 -12.603 1.00 0.00 H new ATOM 0 HD12 ILE A 42 97.272 -14.565 -11.064 1.00 0.00 H new ATOM 0 HD13 ILE A 42 95.634 -14.946 -11.646 1.00 0.00 H new ATOM 618 N SER A 43 96.477 -9.339 -10.558 1.00 0.00 N ATOM 619 CA SER A 43 96.054 -8.321 -9.602 1.00 0.00 C ATOM 620 C SER A 43 95.661 -7.021 -10.299 1.00 0.00 C ATOM 621 O SER A 43 94.582 -6.485 -10.054 1.00 0.00 O ATOM 622 CB SER A 43 97.181 -8.040 -8.609 1.00 0.00 C ATOM 623 OG SER A 43 97.657 -9.270 -8.078 1.00 0.00 O ATOM 0 H SER A 43 97.441 -9.653 -10.444 1.00 0.00 H new ATOM 0 HA SER A 43 95.179 -8.705 -9.077 1.00 0.00 H new ATOM 0 HB2 SER A 43 97.992 -7.506 -9.104 1.00 0.00 H new ATOM 0 HB3 SER A 43 96.821 -7.398 -7.805 1.00 0.00 H new ATOM 0 HG SER A 43 98.282 -9.680 -8.712 1.00 0.00 H new ATOM 629 N ILE A 44 96.537 -6.508 -11.159 1.00 0.00 N ATOM 630 CA ILE A 44 96.247 -5.258 -11.858 1.00 0.00 C ATOM 631 C ILE A 44 95.025 -5.409 -12.761 1.00 0.00 C ATOM 632 O ILE A 44 94.171 -4.522 -12.814 1.00 0.00 O ATOM 633 CB ILE A 44 97.461 -4.802 -12.681 1.00 0.00 C ATOM 634 CG1 ILE A 44 98.007 -5.975 -13.498 1.00 0.00 C ATOM 635 CG2 ILE A 44 98.555 -4.289 -11.741 1.00 0.00 C ATOM 636 CD1 ILE A 44 99.184 -5.501 -14.353 1.00 0.00 C ATOM 0 H ILE A 44 97.438 -6.929 -11.386 1.00 0.00 H new ATOM 0 HA ILE A 44 96.029 -4.498 -11.108 1.00 0.00 H new ATOM 0 HB ILE A 44 97.153 -4.004 -13.356 1.00 0.00 H new ATOM 0 HG12 ILE A 44 98.327 -6.777 -12.833 1.00 0.00 H new ATOM 0 HG13 ILE A 44 97.223 -6.384 -14.135 1.00 0.00 H new ATOM 0 HG21 ILE A 44 99.416 -3.966 -12.327 1.00 0.00 H new ATOM 0 HG22 ILE A 44 98.173 -3.448 -11.163 1.00 0.00 H new ATOM 0 HG23 ILE A 44 98.856 -5.088 -11.063 1.00 0.00 H new ATOM 0 HD11 ILE A 44 99.572 -6.338 -14.934 1.00 0.00 H new ATOM 0 HD12 ILE A 44 98.849 -4.714 -15.029 1.00 0.00 H new ATOM 0 HD13 ILE A 44 99.971 -5.113 -13.706 1.00 0.00 H new ATOM 648 N VAL A 45 94.936 -6.533 -13.465 1.00 0.00 N ATOM 649 CA VAL A 45 93.801 -6.767 -14.351 1.00 0.00 C ATOM 650 C VAL A 45 92.494 -6.758 -13.556 1.00 0.00 C ATOM 651 O VAL A 45 91.497 -6.167 -13.980 1.00 0.00 O ATOM 652 CB VAL A 45 93.964 -8.115 -15.065 1.00 0.00 C ATOM 653 CG1 VAL A 45 92.685 -8.455 -15.837 1.00 0.00 C ATOM 654 CG2 VAL A 45 95.135 -8.030 -16.046 1.00 0.00 C ATOM 0 H VAL A 45 95.624 -7.285 -13.441 1.00 0.00 H new ATOM 0 HA VAL A 45 93.767 -5.969 -15.092 1.00 0.00 H new ATOM 0 HB VAL A 45 94.155 -8.891 -14.324 1.00 0.00 H new ATOM 0 HG11 VAL A 45 92.808 -9.413 -16.341 1.00 0.00 H new ATOM 0 HG12 VAL A 45 91.846 -8.515 -15.143 1.00 0.00 H new ATOM 0 HG13 VAL A 45 92.489 -7.679 -16.576 1.00 0.00 H new ATOM 0 HG21 VAL A 45 95.253 -8.987 -16.555 1.00 0.00 H new ATOM 0 HG22 VAL A 45 94.938 -7.250 -16.781 1.00 0.00 H new ATOM 0 HG23 VAL A 45 96.049 -7.793 -15.502 1.00 0.00 H new ATOM 664 N LEU A 46 92.507 -7.422 -12.406 1.00 0.00 N ATOM 665 CA LEU A 46 91.319 -7.494 -11.563 1.00 0.00 C ATOM 666 C LEU A 46 90.952 -6.103 -11.033 1.00 0.00 C ATOM 667 O LEU A 46 89.773 -5.779 -10.882 1.00 0.00 O ATOM 668 CB LEU A 46 91.575 -8.475 -10.392 1.00 0.00 C ATOM 669 CG LEU A 46 90.323 -9.326 -10.076 1.00 0.00 C ATOM 670 CD1 LEU A 46 89.104 -8.418 -9.852 1.00 0.00 C ATOM 671 CD2 LEU A 46 90.035 -10.318 -11.227 1.00 0.00 C ATOM 0 H LEU A 46 93.320 -7.915 -12.038 1.00 0.00 H new ATOM 0 HA LEU A 46 90.481 -7.860 -12.156 1.00 0.00 H new ATOM 0 HB2 LEU A 46 92.408 -9.132 -10.643 1.00 0.00 H new ATOM 0 HB3 LEU A 46 91.867 -7.914 -9.504 1.00 0.00 H new ATOM 0 HG LEU A 46 90.516 -9.893 -9.165 1.00 0.00 H new ATOM 0 HD11 LEU A 46 88.230 -9.030 -9.631 1.00 0.00 H new ATOM 0 HD12 LEU A 46 89.299 -7.747 -9.015 1.00 0.00 H new ATOM 0 HD13 LEU A 46 88.917 -7.831 -10.751 1.00 0.00 H new ATOM 0 HD21 LEU A 46 89.151 -10.908 -10.986 1.00 0.00 H new ATOM 0 HD22 LEU A 46 89.862 -9.764 -12.150 1.00 0.00 H new ATOM 0 HD23 LEU A 46 90.889 -10.982 -11.357 1.00 0.00 H new ATOM 683 N VAL A 47 91.969 -5.284 -10.762 1.00 0.00 N ATOM 684 CA VAL A 47 91.733 -3.938 -10.257 1.00 0.00 C ATOM 685 C VAL A 47 91.053 -3.097 -11.331 1.00 0.00 C ATOM 686 O VAL A 47 90.228 -2.239 -11.032 1.00 0.00 O ATOM 687 CB VAL A 47 93.064 -3.296 -9.839 1.00 0.00 C ATOM 688 CG1 VAL A 47 92.867 -1.799 -9.576 1.00 0.00 C ATOM 689 CG2 VAL A 47 93.574 -3.970 -8.558 1.00 0.00 C ATOM 0 H VAL A 47 92.952 -5.528 -10.883 1.00 0.00 H new ATOM 0 HA VAL A 47 91.081 -3.989 -9.385 1.00 0.00 H new ATOM 0 HB VAL A 47 93.789 -3.427 -10.642 1.00 0.00 H new ATOM 0 HG11 VAL A 47 93.817 -1.353 -9.280 1.00 0.00 H new ATOM 0 HG12 VAL A 47 92.506 -1.315 -10.483 1.00 0.00 H new ATOM 0 HG13 VAL A 47 92.138 -1.663 -8.777 1.00 0.00 H new ATOM 0 HG21 VAL A 47 94.519 -3.516 -8.259 1.00 0.00 H new ATOM 0 HG22 VAL A 47 92.841 -3.840 -7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 47 93.725 -5.034 -8.742 1.00 0.00 H new ATOM 699 N ALA A 48 91.414 -3.351 -12.582 1.00 0.00 N ATOM 700 CA ALA A 48 90.839 -2.610 -13.697 1.00 0.00 C ATOM 701 C ALA A 48 89.367 -2.950 -13.892 1.00 0.00 C ATOM 702 O ALA A 48 88.533 -2.057 -14.041 1.00 0.00 O ATOM 703 CB ALA A 48 91.617 -2.921 -14.976 1.00 0.00 C ATOM 0 H ALA A 48 92.098 -4.059 -12.849 1.00 0.00 H new ATOM 0 HA ALA A 48 90.911 -1.546 -13.470 1.00 0.00 H new ATOM 0 HB1 ALA A 48 91.185 -2.366 -15.809 1.00 0.00 H new ATOM 0 HB2 ALA A 48 92.660 -2.630 -14.848 1.00 0.00 H new ATOM 0 HB3 ALA A 48 91.562 -3.989 -15.185 1.00 0.00 H new ATOM 709 N THR A 49 89.050 -4.237 -13.904 1.00 0.00 N ATOM 710 CA THR A 49 87.669 -4.662 -14.100 1.00 0.00 C ATOM 711 C THR A 49 86.755 -4.128 -12.993 1.00 0.00 C ATOM 712 O THR A 49 85.685 -3.582 -13.271 1.00 0.00 O ATOM 713 CB THR A 49 87.593 -6.191 -14.132 1.00 0.00 C ATOM 714 OG1 THR A 49 88.671 -6.699 -14.906 1.00 0.00 O ATOM 715 CG2 THR A 49 86.266 -6.630 -14.755 1.00 0.00 C ATOM 0 H THR A 49 89.719 -4.997 -13.782 1.00 0.00 H new ATOM 0 HA THR A 49 87.327 -4.254 -15.051 1.00 0.00 H new ATOM 0 HB THR A 49 87.657 -6.578 -13.115 1.00 0.00 H new ATOM 0 HG1 THR A 49 88.626 -7.678 -14.927 1.00 0.00 H new ATOM 0 HG21 THR A 49 86.216 -7.719 -14.776 1.00 0.00 H new ATOM 0 HG22 THR A 49 85.439 -6.240 -14.162 1.00 0.00 H new ATOM 0 HG23 THR A 49 86.196 -6.244 -15.772 1.00 0.00 H new ATOM 723 N VAL A 50 87.170 -4.301 -11.741 1.00 0.00 N ATOM 724 CA VAL A 50 86.359 -3.847 -10.610 1.00 0.00 C ATOM 725 C VAL A 50 86.310 -2.324 -10.512 1.00 0.00 C ATOM 726 O VAL A 50 85.302 -1.764 -10.091 1.00 0.00 O ATOM 727 CB VAL A 50 86.912 -4.417 -9.302 1.00 0.00 C ATOM 728 CG1 VAL A 50 87.003 -5.939 -9.406 1.00 0.00 C ATOM 729 CG2 VAL A 50 88.303 -3.832 -9.043 1.00 0.00 C ATOM 0 H VAL A 50 88.051 -4.746 -11.483 1.00 0.00 H new ATOM 0 HA VAL A 50 85.345 -4.209 -10.778 1.00 0.00 H new ATOM 0 HB VAL A 50 86.249 -4.153 -8.478 1.00 0.00 H new ATOM 0 HG11 VAL A 50 87.397 -6.344 -8.474 1.00 0.00 H new ATOM 0 HG12 VAL A 50 86.011 -6.351 -9.590 1.00 0.00 H new ATOM 0 HG13 VAL A 50 87.666 -6.209 -10.228 1.00 0.00 H new ATOM 0 HG21 VAL A 50 88.700 -4.236 -8.112 1.00 0.00 H new ATOM 0 HG22 VAL A 50 88.968 -4.096 -9.866 1.00 0.00 H new ATOM 0 HG23 VAL A 50 88.233 -2.747 -8.967 1.00 0.00 H new ATOM 739 N LEU A 51 87.394 -1.652 -10.879 1.00 0.00 N ATOM 740 CA LEU A 51 87.420 -0.193 -10.795 1.00 0.00 C ATOM 741 C LEU A 51 86.423 0.421 -11.768 1.00 0.00 C ATOM 742 O LEU A 51 85.594 1.234 -11.374 1.00 0.00 O ATOM 743 CB LEU A 51 88.835 0.329 -11.086 1.00 0.00 C ATOM 744 CG LEU A 51 88.898 1.859 -10.940 1.00 0.00 C ATOM 745 CD1 LEU A 51 88.676 2.266 -9.472 1.00 0.00 C ATOM 746 CD2 LEU A 51 90.277 2.344 -11.403 1.00 0.00 C ATOM 0 H LEU A 51 88.250 -2.080 -11.231 1.00 0.00 H new ATOM 0 HA LEU A 51 87.136 0.098 -9.784 1.00 0.00 H new ATOM 0 HB2 LEU A 51 89.546 -0.135 -10.402 1.00 0.00 H new ATOM 0 HB3 LEU A 51 89.131 0.044 -12.095 1.00 0.00 H new ATOM 0 HG LEU A 51 88.116 2.312 -11.549 1.00 0.00 H new ATOM 0 HD11 LEU A 51 88.723 3.351 -9.384 1.00 0.00 H new ATOM 0 HD12 LEU A 51 87.697 1.918 -9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 51 89.450 1.818 -8.849 1.00 0.00 H new ATOM 0 HD21 LEU A 51 90.334 3.428 -11.304 1.00 0.00 H new ATOM 0 HD22 LEU A 51 91.050 1.883 -10.789 1.00 0.00 H new ATOM 0 HD23 LEU A 51 90.429 2.066 -12.446 1.00 0.00 H new ATOM 758 N LYS A 52 86.504 0.031 -13.033 1.00 0.00 N ATOM 759 CA LYS A 52 85.593 0.568 -14.039 1.00 0.00 C ATOM 760 C LYS A 52 84.147 0.217 -13.687 1.00 0.00 C ATOM 761 O LYS A 52 83.278 1.077 -13.685 1.00 0.00 O ATOM 762 CB LYS A 52 85.955 -0.003 -15.433 1.00 0.00 C ATOM 763 CG LYS A 52 86.892 0.955 -16.200 1.00 0.00 C ATOM 764 CD LYS A 52 88.304 0.962 -15.565 1.00 0.00 C ATOM 765 CE LYS A 52 89.218 -0.041 -16.281 1.00 0.00 C ATOM 766 NZ LYS A 52 88.471 -1.302 -16.548 1.00 0.00 N ATOM 0 H LYS A 52 87.181 -0.646 -13.385 1.00 0.00 H new ATOM 0 HA LYS A 52 85.692 1.653 -14.061 1.00 0.00 H new ATOM 0 HB2 LYS A 52 86.437 -0.974 -15.318 1.00 0.00 H new ATOM 0 HB3 LYS A 52 85.045 -0.166 -16.010 1.00 0.00 H new ATOM 0 HG2 LYS A 52 86.959 0.649 -17.244 1.00 0.00 H new ATOM 0 HG3 LYS A 52 86.478 1.963 -16.189 1.00 0.00 H new ATOM 0 HD2 LYS A 52 88.732 1.962 -15.627 1.00 0.00 H new ATOM 0 HD3 LYS A 52 88.235 0.710 -14.507 1.00 0.00 H new ATOM 0 HE2 LYS A 52 89.578 0.385 -17.218 1.00 0.00 H new ATOM 0 HE3 LYS A 52 90.095 -0.250 -15.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 89.120 -2.014 -16.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 88.062 -1.658 -15.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 87.708 -1.116 -17.230 1.00 0.00 H new ATOM 780 N THR A 53 83.895 -1.053 -13.412 1.00 0.00 N ATOM 781 CA THR A 53 82.541 -1.493 -13.090 1.00 0.00 C ATOM 782 C THR A 53 81.976 -0.799 -11.846 1.00 0.00 C ATOM 783 O THR A 53 80.804 -0.423 -11.821 1.00 0.00 O ATOM 784 CB THR A 53 82.531 -3.008 -12.872 1.00 0.00 C ATOM 785 OG1 THR A 53 83.478 -3.346 -11.869 1.00 0.00 O ATOM 786 CG2 THR A 53 82.892 -3.717 -14.179 1.00 0.00 C ATOM 0 H THR A 53 84.599 -1.792 -13.404 1.00 0.00 H new ATOM 0 HA THR A 53 81.906 -1.222 -13.933 1.00 0.00 H new ATOM 0 HB THR A 53 81.537 -3.323 -12.555 1.00 0.00 H new ATOM 0 HG1 THR A 53 84.369 -3.417 -12.271 1.00 0.00 H new ATOM 0 HG21 THR A 53 82.884 -4.796 -14.022 1.00 0.00 H new ATOM 0 HG22 THR A 53 82.164 -3.457 -14.947 1.00 0.00 H new ATOM 0 HG23 THR A 53 83.885 -3.404 -14.500 1.00 0.00 H new ATOM 794 N ILE A 54 82.792 -0.669 -10.803 1.00 0.00 N ATOM 795 CA ILE A 54 82.328 -0.066 -9.553 1.00 0.00 C ATOM 796 C ILE A 54 82.137 1.450 -9.642 1.00 0.00 C ATOM 797 O ILE A 54 81.152 1.968 -9.137 1.00 0.00 O ATOM 798 CB ILE A 54 83.300 -0.410 -8.417 1.00 0.00 C ATOM 799 CG1 ILE A 54 83.251 -1.916 -8.151 1.00 0.00 C ATOM 800 CG2 ILE A 54 82.902 0.340 -7.141 1.00 0.00 C ATOM 801 CD1 ILE A 54 84.443 -2.323 -7.281 1.00 0.00 C ATOM 0 H ILE A 54 83.767 -0.969 -10.796 1.00 0.00 H new ATOM 0 HA ILE A 54 81.344 -0.488 -9.348 1.00 0.00 H new ATOM 0 HB ILE A 54 84.308 -0.115 -8.707 1.00 0.00 H new ATOM 0 HG12 ILE A 54 82.318 -2.177 -7.652 1.00 0.00 H new ATOM 0 HG13 ILE A 54 83.272 -2.463 -9.094 1.00 0.00 H new ATOM 0 HG21 ILE A 54 83.597 0.090 -6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 54 82.932 1.414 -7.326 1.00 0.00 H new ATOM 0 HG23 ILE A 54 81.893 0.051 -6.849 1.00 0.00 H new ATOM 0 HD11 ILE A 54 84.406 -3.396 -7.093 1.00 0.00 H new ATOM 0 HD12 ILE A 54 85.371 -2.077 -7.797 1.00 0.00 H new ATOM 0 HD13 ILE A 54 84.402 -1.787 -6.333 1.00 0.00 H new ATOM 813 N VAL A 55 83.073 2.169 -10.238 1.00 0.00 N ATOM 814 CA VAL A 55 82.936 3.625 -10.322 1.00 0.00 C ATOM 815 C VAL A 55 81.936 4.030 -11.409 1.00 0.00 C ATOM 816 O VAL A 55 81.334 5.100 -11.345 1.00 0.00 O ATOM 817 CB VAL A 55 84.293 4.275 -10.611 1.00 0.00 C ATOM 818 CG1 VAL A 55 85.325 3.779 -9.592 1.00 0.00 C ATOM 819 CG2 VAL A 55 84.748 3.924 -12.041 1.00 0.00 C ATOM 0 H VAL A 55 83.918 1.787 -10.663 1.00 0.00 H new ATOM 0 HA VAL A 55 82.563 3.974 -9.359 1.00 0.00 H new ATOM 0 HB VAL A 55 84.201 5.358 -10.528 1.00 0.00 H new ATOM 0 HG11 VAL A 55 86.290 4.241 -9.797 1.00 0.00 H new ATOM 0 HG12 VAL A 55 85.001 4.047 -8.586 1.00 0.00 H new ATOM 0 HG13 VAL A 55 85.418 2.696 -9.667 1.00 0.00 H new ATOM 0 HG21 VAL A 55 85.713 4.389 -12.240 1.00 0.00 H new ATOM 0 HG22 VAL A 55 84.839 2.842 -12.138 1.00 0.00 H new ATOM 0 HG23 VAL A 55 84.013 4.292 -12.757 1.00 0.00 H new ATOM 829 N LEU A 56 81.807 3.196 -12.431 1.00 0.00 N ATOM 830 CA LEU A 56 80.925 3.491 -13.556 1.00 0.00 C ATOM 831 C LEU A 56 79.447 3.139 -13.319 1.00 0.00 C ATOM 832 O LEU A 56 78.573 3.850 -13.807 1.00 0.00 O ATOM 833 CB LEU A 56 81.428 2.729 -14.787 1.00 0.00 C ATOM 834 CG LEU A 56 80.728 3.227 -16.072 1.00 0.00 C ATOM 835 CD1 LEU A 56 81.487 4.426 -16.648 1.00 0.00 C ATOM 836 CD2 LEU A 56 80.710 2.106 -17.119 1.00 0.00 C ATOM 0 H LEU A 56 82.302 2.307 -12.506 1.00 0.00 H new ATOM 0 HA LEU A 56 80.958 4.571 -13.698 1.00 0.00 H new ATOM 0 HB2 LEU A 56 82.506 2.857 -14.883 1.00 0.00 H new ATOM 0 HB3 LEU A 56 81.244 1.662 -14.659 1.00 0.00 H new ATOM 0 HG LEU A 56 79.708 3.521 -15.824 1.00 0.00 H new ATOM 0 HD11 LEU A 56 80.988 4.772 -17.553 1.00 0.00 H new ATOM 0 HD12 LEU A 56 81.506 5.232 -15.914 1.00 0.00 H new ATOM 0 HD13 LEU A 56 82.508 4.129 -16.887 1.00 0.00 H new ATOM 0 HD21 LEU A 56 80.216 2.461 -18.023 1.00 0.00 H new ATOM 0 HD22 LEU A 56 81.733 1.813 -17.356 1.00 0.00 H new ATOM 0 HD23 LEU A 56 80.169 1.247 -16.723 1.00 0.00 H new ATOM 848 N ILE A 57 79.146 2.013 -12.661 1.00 0.00 N ATOM 849 CA ILE A 57 77.733 1.613 -12.518 1.00 0.00 C ATOM 850 C ILE A 57 76.936 2.424 -11.475 1.00 0.00 C ATOM 851 O ILE A 57 75.981 3.106 -11.846 1.00 0.00 O ATOM 852 CB ILE A 57 77.656 0.092 -12.241 1.00 0.00 C ATOM 853 CG1 ILE A 57 77.943 -0.692 -13.546 1.00 0.00 C ATOM 854 CG2 ILE A 57 76.275 -0.297 -11.688 1.00 0.00 C ATOM 855 CD1 ILE A 57 76.682 -0.820 -14.420 1.00 0.00 C ATOM 0 H ILE A 57 79.826 1.383 -12.234 1.00 0.00 H new ATOM 0 HA ILE A 57 77.244 1.845 -13.464 1.00 0.00 H new ATOM 0 HB ILE A 57 78.407 -0.161 -11.492 1.00 0.00 H new ATOM 0 HG12 ILE A 57 78.727 -0.187 -14.110 1.00 0.00 H new ATOM 0 HG13 ILE A 57 78.318 -1.685 -13.299 1.00 0.00 H new ATOM 0 HG21 ILE A 57 76.247 -1.371 -11.502 1.00 0.00 H new ATOM 0 HG22 ILE A 57 76.092 0.238 -10.756 1.00 0.00 H new ATOM 0 HG23 ILE A 57 75.505 -0.034 -12.414 1.00 0.00 H new ATOM 0 HD11 ILE A 57 76.922 -1.376 -15.326 1.00 0.00 H new ATOM 0 HD12 ILE A 57 75.907 -1.349 -13.865 1.00 0.00 H new ATOM 0 HD13 ILE A 57 76.323 0.174 -14.688 1.00 0.00 H new ATOM 867 N PRO A 58 77.266 2.372 -10.211 1.00 0.00 N ATOM 868 CA PRO A 58 76.506 3.127 -9.167 1.00 0.00 C ATOM 869 C PRO A 58 76.380 4.612 -9.507 1.00 0.00 C ATOM 870 O PRO A 58 75.336 5.222 -9.273 1.00 0.00 O ATOM 871 CB PRO A 58 77.313 2.894 -7.870 1.00 0.00 C ATOM 872 CG PRO A 58 78.640 2.368 -8.323 1.00 0.00 C ATOM 873 CD PRO A 58 78.366 1.614 -9.622 1.00 0.00 C ATOM 0 HA PRO A 58 75.475 2.783 -9.079 1.00 0.00 H new ATOM 0 HB2 PRO A 58 77.428 3.820 -7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 58 76.810 2.182 -7.215 1.00 0.00 H new ATOM 0 HG2 PRO A 58 79.348 3.180 -8.484 1.00 0.00 H new ATOM 0 HG3 PRO A 58 79.076 1.709 -7.573 1.00 0.00 H new ATOM 0 HD2 PRO A 58 79.240 1.599 -10.273 1.00 0.00 H new ATOM 0 HD3 PRO A 58 78.088 0.576 -9.436 1.00 0.00 H new ATOM 881 N PHE A 59 77.440 5.188 -10.059 1.00 0.00 N ATOM 882 CA PHE A 59 77.424 6.583 -10.421 1.00 0.00 C ATOM 883 C PHE A 59 76.447 6.831 -11.572 1.00 0.00 C ATOM 884 O PHE A 59 75.497 7.600 -11.425 1.00 0.00 O ATOM 885 CB PHE A 59 78.835 7.021 -10.810 1.00 0.00 C ATOM 886 CG PHE A 59 79.678 7.209 -9.563 1.00 0.00 C ATOM 887 CD1 PHE A 59 80.283 6.106 -8.953 1.00 0.00 C ATOM 888 CD2 PHE A 59 79.849 8.487 -9.019 1.00 0.00 C ATOM 889 CE1 PHE A 59 81.060 6.279 -7.801 1.00 0.00 C ATOM 890 CE2 PHE A 59 80.626 8.661 -7.867 1.00 0.00 C ATOM 891 CZ PHE A 59 81.231 7.557 -7.258 1.00 0.00 C ATOM 0 H PHE A 59 78.315 4.705 -10.262 1.00 0.00 H new ATOM 0 HA PHE A 59 77.089 7.170 -9.566 1.00 0.00 H new ATOM 0 HB2 PHE A 59 79.291 6.274 -11.459 1.00 0.00 H new ATOM 0 HB3 PHE A 59 78.794 7.952 -11.376 1.00 0.00 H new ATOM 0 HD1 PHE A 59 80.151 5.119 -9.371 1.00 0.00 H new ATOM 0 HD2 PHE A 59 79.381 9.340 -9.488 1.00 0.00 H new ATOM 0 HE1 PHE A 59 81.527 5.426 -7.332 1.00 0.00 H new ATOM 0 HE2 PHE A 59 80.758 9.648 -7.449 1.00 0.00 H new ATOM 0 HZ PHE A 59 81.830 7.691 -6.369 1.00 0.00 H new ATOM 901 N LEU A 60 76.672 6.180 -12.714 1.00 0.00 N ATOM 902 CA LEU A 60 75.779 6.360 -13.855 1.00 0.00 C ATOM 903 C LEU A 60 74.349 5.982 -13.461 1.00 0.00 C ATOM 904 O LEU A 60 73.405 6.726 -13.724 1.00 0.00 O ATOM 905 CB LEU A 60 76.260 5.495 -15.037 1.00 0.00 C ATOM 906 CG LEU A 60 75.846 6.111 -16.390 1.00 0.00 C ATOM 907 CD1 LEU A 60 74.337 6.378 -16.412 1.00 0.00 C ATOM 908 CD2 LEU A 60 76.612 7.428 -16.649 1.00 0.00 C ATOM 0 H LEU A 60 77.448 5.537 -12.871 1.00 0.00 H new ATOM 0 HA LEU A 60 75.791 7.406 -14.161 1.00 0.00 H new ATOM 0 HB2 LEU A 60 77.345 5.394 -14.998 1.00 0.00 H new ATOM 0 HB3 LEU A 60 75.843 4.492 -14.949 1.00 0.00 H new ATOM 0 HG LEU A 60 76.096 5.400 -17.177 1.00 0.00 H new ATOM 0 HD11 LEU A 60 74.058 6.813 -17.372 1.00 0.00 H new ATOM 0 HD12 LEU A 60 73.800 5.441 -16.268 1.00 0.00 H new ATOM 0 HD13 LEU A 60 74.078 7.071 -15.611 1.00 0.00 H new ATOM 0 HD21 LEU A 60 76.305 7.845 -17.608 1.00 0.00 H new ATOM 0 HD22 LEU A 60 76.389 8.141 -15.855 1.00 0.00 H new ATOM 0 HD23 LEU A 60 77.683 7.228 -16.667 1.00 0.00 H new ATOM 1000 N VAL B 4 75.626 15.173 -14.429 1.00 0.00 N ATOM 1001 CA VAL B 4 76.538 14.304 -13.687 1.00 0.00 C ATOM 1002 C VAL B 4 77.583 13.711 -14.626 1.00 0.00 C ATOM 1003 O VAL B 4 78.761 13.614 -14.282 1.00 0.00 O ATOM 1004 CB VAL B 4 75.755 13.172 -13.019 1.00 0.00 C ATOM 1005 CG1 VAL B 4 74.652 13.762 -12.138 1.00 0.00 C ATOM 1006 CG2 VAL B 4 75.123 12.287 -14.096 1.00 0.00 C ATOM 0 HA VAL B 4 77.039 14.899 -12.923 1.00 0.00 H new ATOM 0 HB VAL B 4 76.431 12.577 -12.405 1.00 0.00 H new ATOM 0 HG11 VAL B 4 74.095 12.955 -11.663 1.00 0.00 H new ATOM 0 HG12 VAL B 4 75.098 14.395 -11.371 1.00 0.00 H new ATOM 0 HG13 VAL B 4 73.976 14.357 -12.752 1.00 0.00 H new ATOM 0 HG21 VAL B 4 74.565 11.480 -13.622 1.00 0.00 H new ATOM 0 HG22 VAL B 4 74.448 12.885 -14.708 1.00 0.00 H new ATOM 0 HG23 VAL B 4 75.906 11.865 -14.726 1.00 0.00 H new ATOM 1016 N SER B 5 77.141 13.319 -15.817 1.00 0.00 N ATOM 1017 CA SER B 5 78.038 12.739 -16.810 1.00 0.00 C ATOM 1018 C SER B 5 79.383 13.473 -16.844 1.00 0.00 C ATOM 1019 O SER B 5 80.418 12.883 -16.534 1.00 0.00 O ATOM 1020 CB SER B 5 77.373 12.783 -18.196 1.00 0.00 C ATOM 1021 OG SER B 5 78.344 13.098 -19.185 1.00 0.00 O ATOM 0 H SER B 5 76.169 13.392 -16.117 1.00 0.00 H new ATOM 0 HA SER B 5 78.232 11.703 -16.532 1.00 0.00 H new ATOM 0 HB2 SER B 5 76.912 11.821 -18.419 1.00 0.00 H new ATOM 0 HB3 SER B 5 76.577 13.528 -18.204 1.00 0.00 H new ATOM 0 HG SER B 5 77.896 13.280 -20.037 1.00 0.00 H new ATOM 1027 N PRO B 6 79.399 14.734 -17.209 1.00 0.00 N ATOM 1028 CA PRO B 6 80.663 15.530 -17.275 1.00 0.00 C ATOM 1029 C PRO B 6 81.394 15.569 -15.930 1.00 0.00 C ATOM 1030 O PRO B 6 82.419 16.234 -15.791 1.00 0.00 O ATOM 1031 CB PRO B 6 80.198 16.937 -17.713 1.00 0.00 C ATOM 1032 CG PRO B 6 78.731 16.974 -17.422 1.00 0.00 C ATOM 1033 CD PRO B 6 78.232 15.543 -17.601 1.00 0.00 C ATOM 0 HA PRO B 6 81.385 15.094 -17.965 1.00 0.00 H new ATOM 0 HB2 PRO B 6 80.728 17.715 -17.164 1.00 0.00 H new ATOM 0 HB3 PRO B 6 80.394 17.104 -18.772 1.00 0.00 H new ATOM 0 HG2 PRO B 6 78.543 17.329 -16.409 1.00 0.00 H new ATOM 0 HG3 PRO B 6 78.216 17.655 -18.099 1.00 0.00 H new ATOM 0 HD2 PRO B 6 77.367 15.335 -16.971 1.00 0.00 H new ATOM 0 HD3 PRO B 6 77.932 15.346 -18.630 1.00 0.00 H new ATOM 1041 N GLY B 7 80.859 14.848 -14.942 1.00 0.00 N ATOM 1042 CA GLY B 7 81.464 14.801 -13.609 1.00 0.00 C ATOM 1043 C GLY B 7 81.960 13.394 -13.282 1.00 0.00 C ATOM 1044 O GLY B 7 83.165 13.151 -13.179 1.00 0.00 O ATOM 0 H GLY B 7 80.011 14.290 -15.039 1.00 0.00 H new ATOM 0 HA2 GLY B 7 82.295 15.504 -13.558 1.00 0.00 H new ATOM 0 HA3 GLY B 7 80.734 15.116 -12.863 1.00 0.00 H new ATOM 1048 N VAL B 8 81.028 12.465 -13.115 1.00 0.00 N ATOM 1049 CA VAL B 8 81.404 11.097 -12.793 1.00 0.00 C ATOM 1050 C VAL B 8 82.321 10.533 -13.876 1.00 0.00 C ATOM 1051 O VAL B 8 83.424 10.053 -13.587 1.00 0.00 O ATOM 1052 CB VAL B 8 80.150 10.232 -12.634 1.00 0.00 C ATOM 1053 CG1 VAL B 8 79.182 10.923 -11.672 1.00 0.00 C ATOM 1054 CG2 VAL B 8 79.458 10.040 -13.986 1.00 0.00 C ATOM 0 H VAL B 8 80.025 12.629 -13.195 1.00 0.00 H new ATOM 0 HA VAL B 8 81.948 11.090 -11.849 1.00 0.00 H new ATOM 0 HB VAL B 8 80.441 9.257 -12.242 1.00 0.00 H new ATOM 0 HG11 VAL B 8 78.287 10.312 -11.555 1.00 0.00 H new ATOM 0 HG12 VAL B 8 79.663 11.052 -10.702 1.00 0.00 H new ATOM 0 HG13 VAL B 8 78.905 11.898 -12.072 1.00 0.00 H new ATOM 0 HG21 VAL B 8 78.569 9.423 -13.855 1.00 0.00 H new ATOM 0 HG22 VAL B 8 79.170 11.011 -14.388 1.00 0.00 H new ATOM 0 HG23 VAL B 8 80.142 9.549 -14.678 1.00 0.00 H new ATOM 1064 N LEU B 9 81.889 10.620 -15.127 1.00 0.00 N ATOM 1065 CA LEU B 9 82.713 10.133 -16.216 1.00 0.00 C ATOM 1066 C LEU B 9 84.076 10.814 -16.130 1.00 0.00 C ATOM 1067 O LEU B 9 85.106 10.211 -16.441 1.00 0.00 O ATOM 1068 CB LEU B 9 82.031 10.395 -17.561 1.00 0.00 C ATOM 1069 CG LEU B 9 80.588 9.857 -17.517 1.00 0.00 C ATOM 1070 CD1 LEU B 9 79.846 10.242 -18.805 1.00 0.00 C ATOM 1071 CD2 LEU B 9 80.600 8.323 -17.372 1.00 0.00 C ATOM 0 H LEU B 9 80.991 11.015 -15.406 1.00 0.00 H new ATOM 0 HA LEU B 9 82.850 9.055 -16.135 1.00 0.00 H new ATOM 0 HB2 LEU B 9 82.026 11.463 -17.777 1.00 0.00 H new ATOM 0 HB3 LEU B 9 82.587 9.911 -18.364 1.00 0.00 H new ATOM 0 HG LEU B 9 80.077 10.295 -16.660 1.00 0.00 H new ATOM 0 HD11 LEU B 9 78.827 9.858 -18.766 1.00 0.00 H new ATOM 0 HD12 LEU B 9 79.822 11.328 -18.900 1.00 0.00 H new ATOM 0 HD13 LEU B 9 80.362 9.814 -19.664 1.00 0.00 H new ATOM 0 HD21 LEU B 9 79.575 7.952 -17.342 1.00 0.00 H new ATOM 0 HD22 LEU B 9 81.121 7.881 -18.222 1.00 0.00 H new ATOM 0 HD23 LEU B 9 81.112 8.049 -16.450 1.00 0.00 H new ATOM 1083 N ALA B 10 84.078 12.057 -15.638 1.00 0.00 N ATOM 1084 CA ALA B 10 85.331 12.775 -15.445 1.00 0.00 C ATOM 1085 C ALA B 10 86.195 11.924 -14.506 1.00 0.00 C ATOM 1086 O ALA B 10 87.428 11.823 -14.634 1.00 0.00 O ATOM 1087 CB ALA B 10 85.059 14.164 -14.826 1.00 0.00 C ATOM 0 H ALA B 10 83.240 12.575 -15.372 1.00 0.00 H new ATOM 0 HA ALA B 10 85.841 12.935 -16.395 1.00 0.00 H new ATOM 0 HB1 ALA B 10 86.003 14.691 -14.686 1.00 0.00 H new ATOM 0 HB2 ALA B 10 84.417 14.740 -15.492 1.00 0.00 H new ATOM 0 HB3 ALA B 10 84.565 14.042 -13.862 1.00 0.00 H new ATOM 1093 N GLY B 11 85.501 11.296 -13.561 1.00 0.00 N ATOM 1094 CA GLY B 11 86.142 10.430 -12.588 1.00 0.00 C ATOM 1095 C GLY B 11 86.722 9.182 -13.252 1.00 0.00 C ATOM 1096 O GLY B 11 87.731 8.651 -12.789 1.00 0.00 O ATOM 0 H GLY B 11 84.490 11.374 -13.452 1.00 0.00 H new ATOM 0 HA2 GLY B 11 86.936 10.976 -12.079 1.00 0.00 H new ATOM 0 HA3 GLY B 11 85.419 10.137 -11.827 1.00 0.00 H new ATOM 1100 N ILE B 12 86.098 8.709 -14.340 1.00 0.00 N ATOM 1101 CA ILE B 12 86.618 7.524 -15.013 1.00 0.00 C ATOM 1102 C ILE B 12 87.918 7.877 -15.728 1.00 0.00 C ATOM 1103 O ILE B 12 88.862 7.095 -15.711 1.00 0.00 O ATOM 1104 CB ILE B 12 85.582 6.942 -15.997 1.00 0.00 C ATOM 1105 CG1 ILE B 12 84.520 6.130 -15.232 1.00 0.00 C ATOM 1106 CG2 ILE B 12 86.275 5.998 -16.987 1.00 0.00 C ATOM 1107 CD1 ILE B 12 84.015 6.907 -14.016 1.00 0.00 C ATOM 0 H ILE B 12 85.261 9.116 -14.757 1.00 0.00 H new ATOM 0 HA ILE B 12 86.821 6.754 -14.268 1.00 0.00 H new ATOM 0 HB ILE B 12 85.112 7.771 -16.526 1.00 0.00 H new ATOM 0 HG12 ILE B 12 83.685 5.899 -15.894 1.00 0.00 H new ATOM 0 HG13 ILE B 12 84.945 5.179 -14.911 1.00 0.00 H new ATOM 0 HG21 ILE B 12 85.537 5.591 -17.679 1.00 0.00 H new ATOM 0 HG22 ILE B 12 87.032 6.549 -17.546 1.00 0.00 H new ATOM 0 HG23 ILE B 12 86.749 5.183 -16.441 1.00 0.00 H new ATOM 0 HD11 ILE B 12 83.266 6.314 -13.491 1.00 0.00 H new ATOM 0 HD12 ILE B 12 84.849 7.115 -13.345 1.00 0.00 H new ATOM 0 HD13 ILE B 12 83.570 7.846 -14.344 1.00 0.00 H new ATOM 1119 N VAL B 13 87.976 9.057 -16.342 1.00 0.00 N ATOM 1120 CA VAL B 13 89.204 9.460 -17.025 1.00 0.00 C ATOM 1121 C VAL B 13 90.346 9.447 -16.008 1.00 0.00 C ATOM 1122 O VAL B 13 91.436 8.944 -16.287 1.00 0.00 O ATOM 1123 CB VAL B 13 89.060 10.855 -17.723 1.00 0.00 C ATOM 1124 CG1 VAL B 13 87.591 11.259 -17.799 1.00 0.00 C ATOM 1125 CG2 VAL B 13 89.815 11.965 -16.968 1.00 0.00 C ATOM 0 H VAL B 13 87.213 9.733 -16.382 1.00 0.00 H new ATOM 0 HA VAL B 13 89.420 8.753 -17.826 1.00 0.00 H new ATOM 0 HB VAL B 13 89.488 10.748 -18.720 1.00 0.00 H new ATOM 0 HG11 VAL B 13 87.506 12.230 -18.286 1.00 0.00 H new ATOM 0 HG12 VAL B 13 87.038 10.515 -18.373 1.00 0.00 H new ATOM 0 HG13 VAL B 13 87.178 11.321 -16.792 1.00 0.00 H new ATOM 0 HG21 VAL B 13 89.686 12.913 -17.490 1.00 0.00 H new ATOM 0 HG22 VAL B 13 89.419 12.051 -15.956 1.00 0.00 H new ATOM 0 HG23 VAL B 13 90.876 11.718 -16.923 1.00 0.00 H new ATOM 1135 N VAL B 14 90.082 9.993 -14.819 1.00 0.00 N ATOM 1136 CA VAL B 14 91.101 10.020 -13.772 1.00 0.00 C ATOM 1137 C VAL B 14 91.541 8.595 -13.423 1.00 0.00 C ATOM 1138 O VAL B 14 92.738 8.291 -13.364 1.00 0.00 O ATOM 1139 CB VAL B 14 90.546 10.708 -12.521 1.00 0.00 C ATOM 1140 CG1 VAL B 14 91.564 10.610 -11.382 1.00 0.00 C ATOM 1141 CG2 VAL B 14 90.270 12.181 -12.827 1.00 0.00 C ATOM 0 H VAL B 14 89.189 10.414 -14.562 1.00 0.00 H new ATOM 0 HA VAL B 14 91.963 10.578 -14.138 1.00 0.00 H new ATOM 0 HB VAL B 14 89.620 10.216 -12.223 1.00 0.00 H new ATOM 0 HG11 VAL B 14 91.165 11.101 -10.494 1.00 0.00 H new ATOM 0 HG12 VAL B 14 91.761 9.561 -11.159 1.00 0.00 H new ATOM 0 HG13 VAL B 14 92.492 11.098 -11.680 1.00 0.00 H new ATOM 0 HG21 VAL B 14 89.875 12.670 -11.936 1.00 0.00 H new ATOM 0 HG22 VAL B 14 91.196 12.670 -13.129 1.00 0.00 H new ATOM 0 HG23 VAL B 14 89.541 12.255 -13.634 1.00 0.00 H new ATOM 1151 N GLY B 15 90.561 7.725 -13.198 1.00 0.00 N ATOM 1152 CA GLY B 15 90.848 6.337 -12.859 1.00 0.00 C ATOM 1153 C GLY B 15 91.660 5.664 -13.960 1.00 0.00 C ATOM 1154 O GLY B 15 92.513 4.824 -13.687 1.00 0.00 O ATOM 0 H GLY B 15 89.568 7.955 -13.244 1.00 0.00 H new ATOM 0 HA2 GLY B 15 91.398 6.294 -11.919 1.00 0.00 H new ATOM 0 HA3 GLY B 15 89.914 5.795 -12.707 1.00 0.00 H new ATOM 1158 N ASP B 16 91.387 6.045 -15.203 1.00 0.00 N ATOM 1159 CA ASP B 16 92.097 5.479 -16.341 1.00 0.00 C ATOM 1160 C ASP B 16 93.563 5.880 -16.296 1.00 0.00 C ATOM 1161 O ASP B 16 94.445 5.080 -16.598 1.00 0.00 O ATOM 1162 CB ASP B 16 91.472 5.971 -17.648 1.00 0.00 C ATOM 1163 CG ASP B 16 92.080 5.224 -18.831 1.00 0.00 C ATOM 1164 OD1 ASP B 16 92.897 4.348 -18.596 1.00 0.00 O ATOM 1165 OD2 ASP B 16 91.722 5.539 -19.953 1.00 0.00 O ATOM 0 H ASP B 16 90.682 6.741 -15.446 1.00 0.00 H new ATOM 0 HA ASP B 16 92.021 4.393 -16.293 1.00 0.00 H new ATOM 0 HB2 ASP B 16 90.393 5.817 -17.625 1.00 0.00 H new ATOM 0 HB3 ASP B 16 91.638 7.042 -17.760 1.00 0.00 H new ATOM 1170 N LEU B 17 93.817 7.123 -15.908 1.00 0.00 N ATOM 1171 CA LEU B 17 95.184 7.612 -15.818 1.00 0.00 C ATOM 1172 C LEU B 17 95.962 6.778 -14.805 1.00 0.00 C ATOM 1173 O LEU B 17 97.079 6.331 -15.077 1.00 0.00 O ATOM 1174 CB LEU B 17 95.177 9.088 -15.398 1.00 0.00 C ATOM 1175 CG LEU B 17 96.605 9.583 -15.127 1.00 0.00 C ATOM 1176 CD1 LEU B 17 97.504 9.290 -16.335 1.00 0.00 C ATOM 1177 CD2 LEU B 17 96.563 11.093 -14.874 1.00 0.00 C ATOM 0 H LEU B 17 93.102 7.804 -15.653 1.00 0.00 H new ATOM 0 HA LEU B 17 95.667 7.524 -16.791 1.00 0.00 H new ATOM 0 HB2 LEU B 17 94.720 9.692 -16.182 1.00 0.00 H new ATOM 0 HB3 LEU B 17 94.567 9.214 -14.503 1.00 0.00 H new ATOM 0 HG LEU B 17 97.010 9.068 -14.256 1.00 0.00 H new ATOM 0 HD11 LEU B 17 98.514 9.645 -16.131 1.00 0.00 H new ATOM 0 HD12 LEU B 17 97.527 8.216 -16.519 1.00 0.00 H new ATOM 0 HD13 LEU B 17 97.110 9.800 -17.214 1.00 0.00 H new ATOM 0 HD21 LEU B 17 97.572 11.458 -14.680 1.00 0.00 H new ATOM 0 HD22 LEU B 17 96.157 11.598 -15.751 1.00 0.00 H new ATOM 0 HD23 LEU B 17 95.930 11.300 -14.011 1.00 0.00 H new ATOM 1189 N VAL B 18 95.360 6.566 -13.639 1.00 0.00 N ATOM 1190 CA VAL B 18 96.005 5.777 -12.592 1.00 0.00 C ATOM 1191 C VAL B 18 96.163 4.318 -13.027 1.00 0.00 C ATOM 1192 O VAL B 18 97.144 3.661 -12.680 1.00 0.00 O ATOM 1193 CB VAL B 18 95.179 5.839 -11.305 1.00 0.00 C ATOM 1194 CG1 VAL B 18 95.832 4.961 -10.236 1.00 0.00 C ATOM 1195 CG2 VAL B 18 95.119 7.286 -10.806 1.00 0.00 C ATOM 0 H VAL B 18 94.437 6.924 -13.395 1.00 0.00 H new ATOM 0 HA VAL B 18 96.995 6.197 -12.412 1.00 0.00 H new ATOM 0 HB VAL B 18 94.170 5.480 -11.505 1.00 0.00 H new ATOM 0 HG11 VAL B 18 95.244 5.005 -9.320 1.00 0.00 H new ATOM 0 HG12 VAL B 18 95.877 3.931 -10.589 1.00 0.00 H new ATOM 0 HG13 VAL B 18 96.842 5.321 -10.037 1.00 0.00 H new ATOM 0 HG21 VAL B 18 94.531 7.331 -9.889 1.00 0.00 H new ATOM 0 HG22 VAL B 18 96.129 7.644 -10.607 1.00 0.00 H new ATOM 0 HG23 VAL B 18 94.654 7.914 -11.566 1.00 0.00 H new ATOM 1205 N LEU B 19 95.187 3.819 -13.779 1.00 0.00 N ATOM 1206 CA LEU B 19 95.214 2.436 -14.255 1.00 0.00 C ATOM 1207 C LEU B 19 96.374 2.228 -15.229 1.00 0.00 C ATOM 1208 O LEU B 19 97.147 1.280 -15.094 1.00 0.00 O ATOM 1209 CB LEU B 19 93.861 2.119 -14.933 1.00 0.00 C ATOM 1210 CG LEU B 19 93.509 0.617 -14.893 1.00 0.00 C ATOM 1211 CD1 LEU B 19 94.707 -0.237 -15.314 1.00 0.00 C ATOM 1212 CD2 LEU B 19 93.019 0.204 -13.488 1.00 0.00 C ATOM 0 H LEU B 19 94.367 4.350 -14.073 1.00 0.00 H new ATOM 0 HA LEU B 19 95.365 1.759 -13.414 1.00 0.00 H new ATOM 0 HB2 LEU B 19 93.071 2.686 -14.440 1.00 0.00 H new ATOM 0 HB3 LEU B 19 93.893 2.453 -15.970 1.00 0.00 H new ATOM 0 HG LEU B 19 92.700 0.445 -15.603 1.00 0.00 H new ATOM 0 HD11 LEU B 19 94.433 -1.291 -15.277 1.00 0.00 H new ATOM 0 HD12 LEU B 19 95.002 0.026 -16.330 1.00 0.00 H new ATOM 0 HD13 LEU B 19 95.540 -0.055 -14.635 1.00 0.00 H new ATOM 0 HD21 LEU B 19 92.777 -0.859 -13.485 1.00 0.00 H new ATOM 0 HD22 LEU B 19 93.803 0.400 -12.757 1.00 0.00 H new ATOM 0 HD23 LEU B 19 92.130 0.779 -13.229 1.00 0.00 H new ATOM 1224 N THR B 20 96.498 3.122 -16.203 1.00 0.00 N ATOM 1225 CA THR B 20 97.574 3.021 -17.182 1.00 0.00 C ATOM 1226 C THR B 20 98.934 3.078 -16.491 1.00 0.00 C ATOM 1227 O THR B 20 99.836 2.303 -16.807 1.00 0.00 O ATOM 1228 CB THR B 20 97.465 4.161 -18.198 1.00 0.00 C ATOM 1229 OG1 THR B 20 96.228 4.060 -18.888 1.00 0.00 O ATOM 1230 CG2 THR B 20 98.618 4.067 -19.199 1.00 0.00 C ATOM 0 H THR B 20 95.874 3.918 -16.336 1.00 0.00 H new ATOM 0 HA THR B 20 97.482 2.066 -17.699 1.00 0.00 H new ATOM 0 HB THR B 20 97.515 5.118 -17.678 1.00 0.00 H new ATOM 0 HG1 THR B 20 95.502 4.367 -18.305 1.00 0.00 H new ATOM 0 HG21 THR B 20 98.539 4.879 -19.922 1.00 0.00 H new ATOM 0 HG22 THR B 20 99.567 4.144 -18.669 1.00 0.00 H new ATOM 0 HG23 THR B 20 98.570 3.111 -19.721 1.00 0.00 H new ATOM 1238 N VAL B 21 99.073 4.004 -15.547 1.00 0.00 N ATOM 1239 CA VAL B 21 100.328 4.158 -14.818 1.00 0.00 C ATOM 1240 C VAL B 21 100.639 2.910 -13.994 1.00 0.00 C ATOM 1241 O VAL B 21 101.788 2.476 -13.917 1.00 0.00 O ATOM 1242 CB VAL B 21 100.244 5.378 -13.897 1.00 0.00 C ATOM 1243 CG1 VAL B 21 101.511 5.469 -13.041 1.00 0.00 C ATOM 1244 CG2 VAL B 21 100.111 6.647 -14.744 1.00 0.00 C ATOM 0 H VAL B 21 98.338 4.655 -15.270 1.00 0.00 H new ATOM 0 HA VAL B 21 101.130 4.300 -15.542 1.00 0.00 H new ATOM 0 HB VAL B 21 99.375 5.278 -13.246 1.00 0.00 H new ATOM 0 HG11 VAL B 21 101.447 6.339 -12.387 1.00 0.00 H new ATOM 0 HG12 VAL B 21 101.607 4.567 -12.437 1.00 0.00 H new ATOM 0 HG13 VAL B 21 102.382 5.566 -13.689 1.00 0.00 H new ATOM 0 HG21 VAL B 21 100.051 7.517 -14.090 1.00 0.00 H new ATOM 0 HG22 VAL B 21 100.980 6.742 -15.395 1.00 0.00 H new ATOM 0 HG23 VAL B 21 99.207 6.586 -15.351 1.00 0.00 H new ATOM 1254 N LEU B 22 99.611 2.344 -13.369 1.00 0.00 N ATOM 1255 CA LEU B 22 99.792 1.154 -12.543 1.00 0.00 C ATOM 1256 C LEU B 22 100.375 0.006 -13.365 1.00 0.00 C ATOM 1257 O LEU B 22 101.369 -0.611 -12.975 1.00 0.00 O ATOM 1258 CB LEU B 22 98.444 0.737 -11.938 1.00 0.00 C ATOM 1259 CG LEU B 22 98.572 -0.604 -11.197 1.00 0.00 C ATOM 1260 CD1 LEU B 22 99.731 -0.544 -10.194 1.00 0.00 C ATOM 1261 CD2 LEU B 22 97.265 -0.890 -10.449 1.00 0.00 C ATOM 0 H LEU B 22 98.651 2.686 -13.417 1.00 0.00 H new ATOM 0 HA LEU B 22 100.492 1.389 -11.742 1.00 0.00 H new ATOM 0 HB2 LEU B 22 98.095 1.507 -11.249 1.00 0.00 H new ATOM 0 HB3 LEU B 22 97.696 0.652 -12.727 1.00 0.00 H new ATOM 0 HG LEU B 22 98.769 -1.397 -11.919 1.00 0.00 H new ATOM 0 HD11 LEU B 22 99.813 -1.499 -9.675 1.00 0.00 H new ATOM 0 HD12 LEU B 22 100.661 -0.339 -10.724 1.00 0.00 H new ATOM 0 HD13 LEU B 22 99.544 0.248 -9.469 1.00 0.00 H new ATOM 0 HD21 LEU B 22 97.348 -1.840 -9.921 1.00 0.00 H new ATOM 0 HD22 LEU B 22 97.074 -0.092 -9.732 1.00 0.00 H new ATOM 0 HD23 LEU B 22 96.442 -0.942 -11.162 1.00 0.00 H new ATOM 1273 N ILE B 23 99.757 -0.282 -14.505 1.00 0.00 N ATOM 1274 CA ILE B 23 100.241 -1.361 -15.356 1.00 0.00 C ATOM 1275 C ILE B 23 101.681 -1.089 -15.774 1.00 0.00 C ATOM 1276 O ILE B 23 102.539 -1.962 -15.669 1.00 0.00 O ATOM 1277 CB ILE B 23 99.354 -1.502 -16.592 1.00 0.00 C ATOM 1278 CG1 ILE B 23 97.908 -1.719 -16.150 1.00 0.00 C ATOM 1279 CG2 ILE B 23 99.813 -2.708 -17.413 1.00 0.00 C ATOM 1280 CD1 ILE B 23 96.982 -1.575 -17.355 1.00 0.00 C ATOM 0 H ILE B 23 98.934 0.207 -14.856 1.00 0.00 H new ATOM 0 HA ILE B 23 100.205 -2.294 -14.793 1.00 0.00 H new ATOM 0 HB ILE B 23 99.425 -0.598 -17.197 1.00 0.00 H new ATOM 0 HG12 ILE B 23 97.796 -2.709 -15.708 1.00 0.00 H new ATOM 0 HG13 ILE B 23 97.638 -0.994 -15.382 1.00 0.00 H new ATOM 0 HG21 ILE B 23 99.181 -2.810 -18.295 1.00 0.00 H new ATOM 0 HG22 ILE B 23 100.848 -2.564 -17.723 1.00 0.00 H new ATOM 0 HG23 ILE B 23 99.738 -3.611 -16.807 1.00 0.00 H new ATOM 0 HD11 ILE B 23 95.950 -1.730 -17.041 1.00 0.00 H new ATOM 0 HD12 ILE B 23 97.087 -0.576 -17.777 1.00 0.00 H new ATOM 0 HD13 ILE B 23 97.247 -2.317 -18.108 1.00 0.00 H new ATOM 1292 N ALA B 24 101.944 0.130 -16.236 1.00 0.00 N ATOM 1293 CA ALA B 24 103.293 0.499 -16.649 1.00 0.00 C ATOM 1294 C ALA B 24 104.296 0.092 -15.573 1.00 0.00 C ATOM 1295 O ALA B 24 105.329 -0.516 -15.864 1.00 0.00 O ATOM 1296 CB ALA B 24 103.375 2.009 -16.884 1.00 0.00 C ATOM 0 H ALA B 24 101.250 0.871 -16.333 1.00 0.00 H new ATOM 0 HA ALA B 24 103.531 -0.020 -17.577 1.00 0.00 H new ATOM 0 HB1 ALA B 24 104.386 2.275 -17.192 1.00 0.00 H new ATOM 0 HB2 ALA B 24 102.671 2.294 -17.665 1.00 0.00 H new ATOM 0 HB3 ALA B 24 103.127 2.535 -15.962 1.00 0.00 H new ATOM 1302 N LEU B 25 103.978 0.413 -14.323 1.00 0.00 N ATOM 1303 CA LEU B 25 104.856 0.054 -13.219 1.00 0.00 C ATOM 1304 C LEU B 25 105.051 -1.458 -13.209 1.00 0.00 C ATOM 1305 O LEU B 25 106.155 -1.953 -12.984 1.00 0.00 O ATOM 1306 CB LEU B 25 104.249 0.522 -11.889 1.00 0.00 C ATOM 1307 CG LEU B 25 105.109 0.049 -10.706 1.00 0.00 C ATOM 1308 CD1 LEU B 25 106.558 0.528 -10.876 1.00 0.00 C ATOM 1309 CD2 LEU B 25 104.528 0.622 -9.409 1.00 0.00 C ATOM 0 H LEU B 25 103.131 0.914 -14.053 1.00 0.00 H new ATOM 0 HA LEU B 25 105.822 0.542 -13.346 1.00 0.00 H new ATOM 0 HB2 LEU B 25 104.175 1.609 -11.880 1.00 0.00 H new ATOM 0 HB3 LEU B 25 103.236 0.132 -11.788 1.00 0.00 H new ATOM 0 HG LEU B 25 105.104 -1.040 -10.669 1.00 0.00 H new ATOM 0 HD11 LEU B 25 107.156 0.186 -10.031 1.00 0.00 H new ATOM 0 HD12 LEU B 25 106.970 0.122 -11.800 1.00 0.00 H new ATOM 0 HD13 LEU B 25 106.579 1.617 -10.918 1.00 0.00 H new ATOM 0 HD21 LEU B 25 105.131 0.292 -8.563 1.00 0.00 H new ATOM 0 HD22 LEU B 25 104.535 1.711 -9.457 1.00 0.00 H new ATOM 0 HD23 LEU B 25 103.504 0.271 -9.283 1.00 0.00 H new ATOM 1321 N ALA B 26 103.967 -2.184 -13.468 1.00 0.00 N ATOM 1322 CA ALA B 26 104.027 -3.641 -13.503 1.00 0.00 C ATOM 1323 C ALA B 26 104.999 -4.105 -14.586 1.00 0.00 C ATOM 1324 O ALA B 26 105.722 -5.084 -14.407 1.00 0.00 O ATOM 1325 CB ALA B 26 102.634 -4.220 -13.774 1.00 0.00 C ATOM 0 H ALA B 26 103.044 -1.791 -13.655 1.00 0.00 H new ATOM 0 HA ALA B 26 104.379 -3.997 -12.535 1.00 0.00 H new ATOM 0 HB1 ALA B 26 102.691 -5.308 -13.798 1.00 0.00 H new ATOM 0 HB2 ALA B 26 101.951 -3.910 -12.983 1.00 0.00 H new ATOM 0 HB3 ALA B 26 102.268 -3.854 -14.734 1.00 0.00 H new ATOM 1331 N VAL B 27 105.020 -3.389 -15.708 1.00 0.00 N ATOM 1332 CA VAL B 27 105.921 -3.739 -16.799 1.00 0.00 C ATOM 1333 C VAL B 27 107.362 -3.621 -16.322 1.00 0.00 C ATOM 1334 O VAL B 27 108.196 -4.476 -16.611 1.00 0.00 O ATOM 1335 CB VAL B 27 105.694 -2.818 -17.999 1.00 0.00 C ATOM 1336 CG1 VAL B 27 106.608 -3.244 -19.149 1.00 0.00 C ATOM 1337 CG2 VAL B 27 104.233 -2.914 -18.447 1.00 0.00 C ATOM 0 H VAL B 27 104.432 -2.574 -15.883 1.00 0.00 H new ATOM 0 HA VAL B 27 105.720 -4.765 -17.108 1.00 0.00 H new ATOM 0 HB VAL B 27 105.921 -1.790 -17.716 1.00 0.00 H new ATOM 0 HG11 VAL B 27 106.446 -2.588 -20.004 1.00 0.00 H new ATOM 0 HG12 VAL B 27 107.648 -3.176 -18.831 1.00 0.00 H new ATOM 0 HG13 VAL B 27 106.381 -4.272 -19.432 1.00 0.00 H new ATOM 0 HG21 VAL B 27 104.071 -2.258 -19.302 1.00 0.00 H new ATOM 0 HG22 VAL B 27 104.006 -3.942 -18.730 1.00 0.00 H new ATOM 0 HG23 VAL B 27 103.581 -2.611 -17.628 1.00 0.00 H new ATOM 1347 N TYR B 28 107.643 -2.558 -15.575 1.00 0.00 N ATOM 1348 CA TYR B 28 108.985 -2.348 -15.047 1.00 0.00 C ATOM 1349 C TYR B 28 109.351 -3.478 -14.088 1.00 0.00 C ATOM 1350 O TYR B 28 110.487 -3.949 -14.068 1.00 0.00 O ATOM 1351 CB TYR B 28 109.057 -1.008 -14.313 1.00 0.00 C ATOM 1352 CG TYR B 28 110.461 -0.783 -13.806 1.00 0.00 C ATOM 1353 CD1 TYR B 28 110.832 -1.254 -12.540 1.00 0.00 C ATOM 1354 CD2 TYR B 28 111.392 -0.103 -14.599 1.00 0.00 C ATOM 1355 CE1 TYR B 28 112.134 -1.045 -12.069 1.00 0.00 C ATOM 1356 CE2 TYR B 28 112.694 0.105 -14.129 1.00 0.00 C ATOM 1357 CZ TYR B 28 113.065 -0.365 -12.864 1.00 0.00 C ATOM 1358 OH TYR B 28 114.348 -0.159 -12.399 1.00 0.00 O ATOM 0 H TYR B 28 106.967 -1.836 -15.324 1.00 0.00 H new ATOM 0 HA TYR B 28 109.691 -2.339 -15.877 1.00 0.00 H new ATOM 0 HB2 TYR B 28 108.768 -0.199 -14.983 1.00 0.00 H new ATOM 0 HB3 TYR B 28 108.353 -1.000 -13.481 1.00 0.00 H new ATOM 0 HD1 TYR B 28 110.114 -1.778 -11.927 1.00 0.00 H new ATOM 0 HD2 TYR B 28 111.106 0.262 -15.574 1.00 0.00 H new ATOM 0 HE1 TYR B 28 112.420 -1.408 -11.093 1.00 0.00 H new ATOM 0 HE2 TYR B 28 113.412 0.628 -14.743 1.00 0.00 H new ATOM 0 HH TYR B 28 114.866 0.327 -13.074 1.00 0.00 H new ATOM 1368 N PHE B 29 108.371 -3.908 -13.296 1.00 0.00 N ATOM 1369 CA PHE B 29 108.582 -4.984 -12.334 1.00 0.00 C ATOM 1370 C PHE B 29 108.990 -6.275 -13.046 1.00 0.00 C ATOM 1371 O PHE B 29 109.866 -7.000 -12.577 1.00 0.00 O ATOM 1372 CB PHE B 29 107.297 -5.210 -11.530 1.00 0.00 C ATOM 1373 CG PHE B 29 107.427 -6.453 -10.672 1.00 0.00 C ATOM 1374 CD1 PHE B 29 108.374 -6.496 -9.643 1.00 0.00 C ATOM 1375 CD2 PHE B 29 106.599 -7.560 -10.908 1.00 0.00 C ATOM 1376 CE1 PHE B 29 108.494 -7.645 -8.849 1.00 0.00 C ATOM 1377 CE2 PHE B 29 106.719 -8.707 -10.115 1.00 0.00 C ATOM 1378 CZ PHE B 29 107.667 -8.750 -9.086 1.00 0.00 C ATOM 0 H PHE B 29 107.425 -3.527 -13.302 1.00 0.00 H new ATOM 0 HA PHE B 29 109.388 -4.698 -11.658 1.00 0.00 H new ATOM 0 HB2 PHE B 29 107.097 -4.344 -10.900 1.00 0.00 H new ATOM 0 HB3 PHE B 29 106.449 -5.314 -12.207 1.00 0.00 H new ATOM 0 HD1 PHE B 29 109.012 -5.644 -9.460 1.00 0.00 H new ATOM 0 HD2 PHE B 29 105.868 -7.527 -11.702 1.00 0.00 H new ATOM 0 HE1 PHE B 29 109.224 -7.678 -8.054 1.00 0.00 H new ATOM 0 HE2 PHE B 29 106.080 -9.559 -10.297 1.00 0.00 H new ATOM 0 HZ PHE B 29 107.761 -9.635 -8.475 1.00 0.00 H new ATOM 1388 N LEU B 30 108.348 -6.558 -14.175 1.00 0.00 N ATOM 1389 CA LEU B 30 108.660 -7.768 -14.930 1.00 0.00 C ATOM 1390 C LEU B 30 110.170 -7.906 -15.108 1.00 0.00 C ATOM 1391 O LEU B 30 110.717 -9.005 -15.024 1.00 0.00 O ATOM 1392 CB LEU B 30 107.972 -7.723 -16.301 1.00 0.00 C ATOM 1393 CG LEU B 30 108.399 -8.920 -17.165 1.00 0.00 C ATOM 1394 CD1 LEU B 30 108.150 -10.234 -16.412 1.00 0.00 C ATOM 1395 CD2 LEU B 30 107.584 -8.913 -18.463 1.00 0.00 C ATOM 0 H LEU B 30 107.618 -5.975 -14.584 1.00 0.00 H new ATOM 0 HA LEU B 30 108.292 -8.631 -14.376 1.00 0.00 H new ATOM 0 HB2 LEU B 30 106.890 -7.731 -16.170 1.00 0.00 H new ATOM 0 HB3 LEU B 30 108.225 -6.793 -16.810 1.00 0.00 H new ATOM 0 HG LEU B 30 109.462 -8.840 -17.390 1.00 0.00 H new ATOM 0 HD11 LEU B 30 108.457 -11.074 -17.035 1.00 0.00 H new ATOM 0 HD12 LEU B 30 108.727 -10.238 -15.487 1.00 0.00 H new ATOM 0 HD13 LEU B 30 107.089 -10.324 -16.178 1.00 0.00 H new ATOM 0 HD21 LEU B 30 107.880 -9.759 -19.083 1.00 0.00 H new ATOM 0 HD22 LEU B 30 106.523 -8.990 -18.227 1.00 0.00 H new ATOM 0 HD23 LEU B 30 107.769 -7.985 -19.004 1.00 0.00 H new