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 Set 1.1: A 3 THR OG1 : rot 180:sc= -0.855 USER MOD Set 1.2: B 5 SER OG : rot -83:sc= -2.11! USER MOD Single : A 5 SER OG : rot -35:sc= 0.99 USER MOD Single : A 20 THR OG1 : rot 140:sc= -0.459 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= 0.0184 USER MOD Single : A 52 LYS NZ :NH3+ -138:sc= -9.06! (180deg=-13.3!) USER MOD Single : A 53 THR OG1 : rot 82:sc= 1.16 USER MOD Single : B 20 THR OG1 : rot 88:sc= 1.23 USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N THR A 3 73.359 16.846 -20.340 1.00 0.00 N ATOM 22 CA THR A 3 74.249 15.846 -19.753 1.00 0.00 C ATOM 23 C THR A 3 74.502 14.714 -20.743 1.00 0.00 C ATOM 24 O THR A 3 73.815 14.604 -21.757 1.00 0.00 O ATOM 25 CB THR A 3 73.623 15.280 -18.476 1.00 0.00 C ATOM 26 OG1 THR A 3 74.221 14.026 -18.175 1.00 0.00 O ATOM 27 CG2 THR A 3 72.120 15.095 -18.680 1.00 0.00 C ATOM 0 HA THR A 3 75.199 16.323 -19.512 1.00 0.00 H new ATOM 0 HB THR A 3 73.791 15.972 -17.651 1.00 0.00 H new ATOM 0 HG1 THR A 3 73.823 13.662 -17.357 1.00 0.00 H new ATOM 0 HG21 THR A 3 71.676 14.692 -17.770 1.00 0.00 H new ATOM 0 HG22 THR A 3 71.663 16.057 -18.911 1.00 0.00 H new ATOM 0 HG23 THR A 3 71.947 14.404 -19.505 1.00 0.00 H new ATOM 35 N VAL A 4 75.495 13.876 -20.435 1.00 0.00 N ATOM 36 CA VAL A 4 75.852 12.742 -21.296 1.00 0.00 C ATOM 37 C VAL A 4 75.658 13.086 -22.768 1.00 0.00 C ATOM 38 O VAL A 4 75.352 12.221 -23.588 1.00 0.00 O ATOM 39 CB VAL A 4 75.015 11.512 -20.925 1.00 0.00 C ATOM 40 CG1 VAL A 4 75.349 11.087 -19.494 1.00 0.00 C ATOM 41 CG2 VAL A 4 73.521 11.841 -21.019 1.00 0.00 C ATOM 0 H VAL A 4 76.068 13.960 -19.595 1.00 0.00 H new ATOM 0 HA VAL A 4 76.907 12.516 -21.138 1.00 0.00 H new ATOM 0 HB VAL A 4 75.246 10.702 -21.618 1.00 0.00 H new ATOM 0 HG11 VAL A 4 74.756 10.213 -19.226 1.00 0.00 H new ATOM 0 HG12 VAL A 4 76.409 10.841 -19.425 1.00 0.00 H new ATOM 0 HG13 VAL A 4 75.121 11.904 -18.809 1.00 0.00 H new ATOM 0 HG21 VAL A 4 72.937 10.960 -20.753 1.00 0.00 H new ATOM 0 HG22 VAL A 4 73.284 12.654 -20.333 1.00 0.00 H new ATOM 0 HG23 VAL A 4 73.278 12.143 -22.038 1.00 0.00 H new ATOM 51 N SER A 5 75.858 14.358 -23.091 1.00 0.00 N ATOM 52 CA SER A 5 75.726 14.828 -24.466 1.00 0.00 C ATOM 53 C SER A 5 77.039 14.625 -25.229 1.00 0.00 C ATOM 54 O SER A 5 77.023 14.263 -26.406 1.00 0.00 O ATOM 55 CB SER A 5 75.321 16.315 -24.485 1.00 0.00 C ATOM 56 OG SER A 5 74.603 16.615 -23.295 1.00 0.00 O ATOM 0 H SER A 5 76.112 15.083 -22.420 1.00 0.00 H new ATOM 0 HA SER A 5 74.946 14.247 -24.958 1.00 0.00 H new ATOM 0 HB2 SER A 5 76.207 16.945 -24.559 1.00 0.00 H new ATOM 0 HB3 SER A 5 74.705 16.526 -25.359 1.00 0.00 H new ATOM 0 HG SER A 5 74.059 15.842 -23.038 1.00 0.00 H new ATOM 62 N PRO A 6 78.169 14.839 -24.591 1.00 0.00 N ATOM 63 CA PRO A 6 79.503 14.660 -25.242 1.00 0.00 C ATOM 64 C PRO A 6 79.619 13.338 -25.979 1.00 0.00 C ATOM 65 O PRO A 6 80.153 13.291 -27.086 1.00 0.00 O ATOM 66 CB PRO A 6 80.480 14.753 -24.066 1.00 0.00 C ATOM 67 CG PRO A 6 79.793 15.669 -23.116 1.00 0.00 C ATOM 68 CD PRO A 6 78.324 15.273 -23.187 1.00 0.00 C ATOM 0 HA PRO A 6 79.695 15.404 -26.015 1.00 0.00 H new ATOM 0 HB2 PRO A 6 80.665 13.776 -23.619 1.00 0.00 H new ATOM 0 HB3 PRO A 6 81.447 15.149 -24.377 1.00 0.00 H new ATOM 0 HG2 PRO A 6 80.185 15.557 -22.105 1.00 0.00 H new ATOM 0 HG3 PRO A 6 79.936 16.712 -23.399 1.00 0.00 H new ATOM 0 HD2 PRO A 6 78.087 14.471 -22.487 1.00 0.00 H new ATOM 0 HD3 PRO A 6 77.668 16.110 -22.947 1.00 0.00 H new ATOM 76 N GLY A 7 79.126 12.266 -25.372 1.00 0.00 N ATOM 77 CA GLY A 7 79.217 10.957 -26.019 1.00 0.00 C ATOM 78 C GLY A 7 80.670 10.510 -26.017 1.00 0.00 C ATOM 79 O GLY A 7 80.994 9.392 -25.612 1.00 0.00 O ATOM 0 H GLY A 7 78.671 12.270 -24.459 1.00 0.00 H new ATOM 0 HA2 GLY A 7 78.598 10.231 -25.491 1.00 0.00 H new ATOM 0 HA3 GLY A 7 78.841 11.014 -27.040 1.00 0.00 H new ATOM 83 N VAL A 8 81.555 11.414 -26.437 1.00 0.00 N ATOM 84 CA VAL A 8 82.972 11.120 -26.438 1.00 0.00 C ATOM 85 C VAL A 8 83.352 10.665 -25.046 1.00 0.00 C ATOM 86 O VAL A 8 84.177 9.767 -24.872 1.00 0.00 O ATOM 87 CB VAL A 8 83.777 12.360 -26.826 1.00 0.00 C ATOM 88 CG1 VAL A 8 85.271 12.077 -26.646 1.00 0.00 C ATOM 89 CG2 VAL A 8 83.498 12.703 -28.289 1.00 0.00 C ATOM 0 H VAL A 8 81.311 12.344 -26.776 1.00 0.00 H new ATOM 0 HA VAL A 8 83.192 10.340 -27.167 1.00 0.00 H new ATOM 0 HB VAL A 8 83.488 13.197 -26.191 1.00 0.00 H new ATOM 0 HG11 VAL A 8 85.845 12.961 -26.923 1.00 0.00 H new ATOM 0 HG12 VAL A 8 85.471 11.826 -25.604 1.00 0.00 H new ATOM 0 HG13 VAL A 8 85.562 11.242 -27.283 1.00 0.00 H new ATOM 0 HG21 VAL A 8 84.070 13.587 -28.571 1.00 0.00 H new ATOM 0 HG22 VAL A 8 83.790 11.865 -28.921 1.00 0.00 H new ATOM 0 HG23 VAL A 8 82.434 12.902 -28.420 1.00 0.00 H new ATOM 99 N LEU A 9 82.714 11.272 -24.044 1.00 0.00 N ATOM 100 CA LEU A 9 82.988 10.869 -22.675 1.00 0.00 C ATOM 101 C LEU A 9 82.757 9.355 -22.565 1.00 0.00 C ATOM 102 O LEU A 9 83.561 8.620 -21.972 1.00 0.00 O ATOM 103 CB LEU A 9 82.094 11.634 -21.686 1.00 0.00 C ATOM 104 CG LEU A 9 82.648 13.057 -21.450 1.00 0.00 C ATOM 105 CD1 LEU A 9 81.666 13.849 -20.574 1.00 0.00 C ATOM 106 CD2 LEU A 9 84.029 12.999 -20.750 1.00 0.00 C ATOM 0 H LEU A 9 82.028 12.019 -24.152 1.00 0.00 H new ATOM 0 HA LEU A 9 84.021 11.106 -22.420 1.00 0.00 H new ATOM 0 HB2 LEU A 9 81.077 11.692 -22.075 1.00 0.00 H new ATOM 0 HB3 LEU A 9 82.043 11.095 -20.740 1.00 0.00 H new ATOM 0 HG LEU A 9 82.766 13.549 -22.416 1.00 0.00 H new ATOM 0 HD11 LEU A 9 82.056 14.853 -20.407 1.00 0.00 H new ATOM 0 HD12 LEU A 9 80.701 13.913 -21.076 1.00 0.00 H new ATOM 0 HD13 LEU A 9 81.543 13.343 -19.616 1.00 0.00 H new ATOM 0 HD21 LEU A 9 84.400 14.012 -20.594 1.00 0.00 H new ATOM 0 HD22 LEU A 9 83.928 12.497 -19.788 1.00 0.00 H new ATOM 0 HD23 LEU A 9 84.731 12.448 -21.375 1.00 0.00 H new ATOM 118 N ALA A 10 81.682 8.878 -23.195 1.00 0.00 N ATOM 119 CA ALA A 10 81.401 7.450 -23.203 1.00 0.00 C ATOM 120 C ALA A 10 82.593 6.744 -23.832 1.00 0.00 C ATOM 121 O ALA A 10 83.017 5.672 -23.390 1.00 0.00 O ATOM 122 CB ALA A 10 80.129 7.159 -24.008 1.00 0.00 C ATOM 0 H ALA A 10 81.005 9.452 -23.697 1.00 0.00 H new ATOM 0 HA ALA A 10 81.241 7.093 -22.186 1.00 0.00 H new ATOM 0 HB1 ALA A 10 79.933 6.087 -24.004 1.00 0.00 H new ATOM 0 HB2 ALA A 10 79.286 7.684 -23.558 1.00 0.00 H new ATOM 0 HB3 ALA A 10 80.262 7.500 -25.035 1.00 0.00 H new ATOM 128 N GLY A 11 83.151 7.388 -24.855 1.00 0.00 N ATOM 129 CA GLY A 11 84.320 6.857 -25.531 1.00 0.00 C ATOM 130 C GLY A 11 85.469 6.742 -24.539 1.00 0.00 C ATOM 131 O GLY A 11 86.368 5.921 -24.704 1.00 0.00 O ATOM 0 H GLY A 11 82.810 8.274 -25.229 1.00 0.00 H new ATOM 0 HA2 GLY A 11 84.094 5.880 -25.958 1.00 0.00 H new ATOM 0 HA3 GLY A 11 84.603 7.508 -26.358 1.00 0.00 H new ATOM 135 N ILE A 12 85.423 7.578 -23.502 1.00 0.00 N ATOM 136 CA ILE A 12 86.457 7.566 -22.468 1.00 0.00 C ATOM 137 C ILE A 12 86.308 6.294 -21.639 1.00 0.00 C ATOM 138 O ILE A 12 87.298 5.672 -21.253 1.00 0.00 O ATOM 139 CB ILE A 12 86.365 8.871 -21.598 1.00 0.00 C ATOM 140 CG1 ILE A 12 87.756 9.529 -21.446 1.00 0.00 C ATOM 141 CG2 ILE A 12 85.788 8.611 -20.178 1.00 0.00 C ATOM 142 CD1 ILE A 12 87.605 11.010 -21.062 1.00 0.00 C ATOM 0 H ILE A 12 84.686 8.268 -23.356 1.00 0.00 H new ATOM 0 HA ILE A 12 87.450 7.560 -22.917 1.00 0.00 H new ATOM 0 HB ILE A 12 85.684 9.535 -22.130 1.00 0.00 H new ATOM 0 HG12 ILE A 12 88.332 9.005 -20.683 1.00 0.00 H new ATOM 0 HG13 ILE A 12 88.311 9.443 -22.380 1.00 0.00 H new ATOM 0 HG21 ILE A 12 85.749 9.549 -19.624 1.00 0.00 H new ATOM 0 HG22 ILE A 12 84.783 8.198 -20.264 1.00 0.00 H new ATOM 0 HG23 ILE A 12 86.427 7.904 -19.649 1.00 0.00 H new ATOM 0 HD11 ILE A 12 88.592 11.461 -20.958 1.00 0.00 H new ATOM 0 HD12 ILE A 12 87.047 11.532 -21.839 1.00 0.00 H new ATOM 0 HD13 ILE A 12 87.069 11.088 -20.116 1.00 0.00 H new ATOM 154 N VAL A 13 85.062 5.907 -21.387 1.00 0.00 N ATOM 155 CA VAL A 13 84.804 4.691 -20.623 1.00 0.00 C ATOM 156 C VAL A 13 85.382 3.492 -21.364 1.00 0.00 C ATOM 157 O VAL A 13 86.189 2.726 -20.820 1.00 0.00 O ATOM 158 CB VAL A 13 83.297 4.489 -20.435 1.00 0.00 C ATOM 159 CG1 VAL A 13 83.043 3.188 -19.671 1.00 0.00 C ATOM 160 CG2 VAL A 13 82.716 5.665 -19.648 1.00 0.00 C ATOM 0 H VAL A 13 84.228 6.407 -21.694 1.00 0.00 H new ATOM 0 HA VAL A 13 85.275 4.785 -19.645 1.00 0.00 H new ATOM 0 HB VAL A 13 82.817 4.434 -21.412 1.00 0.00 H new ATOM 0 HG11 VAL A 13 81.970 3.047 -19.539 1.00 0.00 H new ATOM 0 HG12 VAL A 13 83.452 2.349 -20.234 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.525 3.239 -18.695 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.644 5.520 -19.515 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.198 5.723 -18.672 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.892 6.591 -20.195 1.00 0.00 H new ATOM 170 N VAL A 14 84.976 3.344 -22.620 1.00 0.00 N ATOM 171 CA VAL A 14 85.469 2.243 -23.437 1.00 0.00 C ATOM 172 C VAL A 14 86.984 2.331 -23.584 1.00 0.00 C ATOM 173 O VAL A 14 87.674 1.312 -23.613 1.00 0.00 O ATOM 174 CB VAL A 14 84.817 2.280 -24.819 1.00 0.00 C ATOM 175 CG1 VAL A 14 85.135 0.985 -25.569 1.00 0.00 C ATOM 176 CG2 VAL A 14 83.300 2.419 -24.665 1.00 0.00 C ATOM 0 H VAL A 14 84.316 3.964 -23.089 1.00 0.00 H new ATOM 0 HA VAL A 14 85.213 1.305 -22.944 1.00 0.00 H new ATOM 0 HB VAL A 14 85.205 3.130 -25.380 1.00 0.00 H new ATOM 0 HG11 VAL A 14 84.670 1.012 -26.554 1.00 0.00 H new ATOM 0 HG12 VAL A 14 86.215 0.885 -25.680 1.00 0.00 H new ATOM 0 HG13 VAL A 14 84.747 0.135 -25.008 1.00 0.00 H new ATOM 0 HG21 VAL A 14 82.835 2.445 -25.651 1.00 0.00 H new ATOM 0 HG22 VAL A 14 82.912 1.569 -24.103 1.00 0.00 H new ATOM 0 HG23 VAL A 14 83.071 3.341 -24.131 1.00 0.00 H new ATOM 186 N GLY A 15 87.490 3.556 -23.679 1.00 0.00 N ATOM 187 CA GLY A 15 88.921 3.783 -23.828 1.00 0.00 C ATOM 188 C GLY A 15 89.692 3.237 -22.633 1.00 0.00 C ATOM 189 O GLY A 15 90.780 2.684 -22.783 1.00 0.00 O ATOM 0 H GLY A 15 86.929 4.407 -23.655 1.00 0.00 H new ATOM 0 HA2 GLY A 15 89.275 3.305 -24.742 1.00 0.00 H new ATOM 0 HA3 GLY A 15 89.114 4.851 -23.932 1.00 0.00 H new ATOM 193 N ASP A 16 89.126 3.399 -21.445 1.00 0.00 N ATOM 194 CA ASP A 16 89.779 2.917 -20.236 1.00 0.00 C ATOM 195 C ASP A 16 89.814 1.392 -20.223 1.00 0.00 C ATOM 196 O ASP A 16 90.856 0.783 -19.952 1.00 0.00 O ATOM 197 CB ASP A 16 89.029 3.425 -19.003 1.00 0.00 C ATOM 198 CG ASP A 16 89.769 3.015 -17.734 1.00 0.00 C ATOM 199 OD1 ASP A 16 90.521 2.056 -17.792 1.00 0.00 O ATOM 200 OD2 ASP A 16 89.573 3.668 -16.722 1.00 0.00 O ATOM 0 H ASP A 16 88.226 3.855 -21.293 1.00 0.00 H new ATOM 0 HA ASP A 16 90.802 3.293 -20.218 1.00 0.00 H new ATOM 0 HB2 ASP A 16 88.937 4.510 -19.045 1.00 0.00 H new ATOM 0 HB3 ASP A 16 88.017 3.020 -18.990 1.00 0.00 H new ATOM 205 N LEU A 17 88.670 0.777 -20.511 1.00 0.00 N ATOM 206 CA LEU A 17 88.583 -0.680 -20.517 1.00 0.00 C ATOM 207 C LEU A 17 89.568 -1.285 -21.519 1.00 0.00 C ATOM 208 O LEU A 17 90.337 -2.191 -21.179 1.00 0.00 O ATOM 209 CB LEU A 17 87.156 -1.118 -20.866 1.00 0.00 C ATOM 210 CG LEU A 17 86.990 -2.633 -20.647 1.00 0.00 C ATOM 211 CD1 LEU A 17 86.999 -2.972 -19.143 1.00 0.00 C ATOM 212 CD2 LEU A 17 85.659 -3.077 -21.267 1.00 0.00 C ATOM 0 H LEU A 17 87.800 1.258 -20.741 1.00 0.00 H new ATOM 0 HA LEU A 17 88.841 -1.039 -19.521 1.00 0.00 H new ATOM 0 HB2 LEU A 17 86.441 -0.575 -20.249 1.00 0.00 H new ATOM 0 HB3 LEU A 17 86.936 -0.868 -21.904 1.00 0.00 H new ATOM 0 HG LEU A 17 87.821 -3.156 -21.120 1.00 0.00 H new ATOM 0 HD11 LEU A 17 86.880 -4.048 -19.012 1.00 0.00 H new ATOM 0 HD12 LEU A 17 87.945 -2.655 -18.704 1.00 0.00 H new ATOM 0 HD13 LEU A 17 86.178 -2.453 -18.648 1.00 0.00 H new ATOM 0 HD21 LEU A 17 85.528 -4.149 -21.119 1.00 0.00 H new ATOM 0 HD22 LEU A 17 84.838 -2.542 -20.789 1.00 0.00 H new ATOM 0 HD23 LEU A 17 85.663 -2.856 -22.334 1.00 0.00 H new ATOM 224 N VAL A 18 89.546 -0.790 -22.754 1.00 0.00 N ATOM 225 CA VAL A 18 90.446 -1.314 -23.775 1.00 0.00 C ATOM 226 C VAL A 18 91.891 -0.949 -23.460 1.00 0.00 C ATOM 227 O VAL A 18 92.807 -1.647 -23.873 1.00 0.00 O ATOM 228 CB VAL A 18 90.070 -0.780 -25.159 1.00 0.00 C ATOM 229 CG1 VAL A 18 88.600 -1.092 -25.448 1.00 0.00 C ATOM 230 CG2 VAL A 18 90.290 0.730 -25.194 1.00 0.00 C ATOM 0 H VAL A 18 88.928 -0.042 -23.067 1.00 0.00 H new ATOM 0 HA VAL A 18 90.348 -2.400 -23.778 1.00 0.00 H new ATOM 0 HB VAL A 18 90.693 -1.257 -25.915 1.00 0.00 H new ATOM 0 HG11 VAL A 18 88.334 -0.711 -26.434 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.445 -2.171 -25.422 1.00 0.00 H new ATOM 0 HG13 VAL A 18 87.972 -0.617 -24.694 1.00 0.00 H new ATOM 0 HG21 VAL A 18 90.023 1.114 -26.179 1.00 0.00 H new ATOM 0 HG22 VAL A 18 89.666 1.206 -24.438 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.338 0.950 -24.991 1.00 0.00 H new ATOM 240 N LEU A 19 92.102 0.145 -22.731 1.00 0.00 N ATOM 241 CA LEU A 19 93.465 0.544 -22.394 1.00 0.00 C ATOM 242 C LEU A 19 94.116 -0.541 -21.533 1.00 0.00 C ATOM 243 O LEU A 19 95.183 -1.053 -21.873 1.00 0.00 O ATOM 244 CB LEU A 19 93.466 1.900 -21.641 1.00 0.00 C ATOM 245 CG LEU A 19 93.716 3.069 -22.617 1.00 0.00 C ATOM 246 CD1 LEU A 19 93.214 4.380 -21.993 1.00 0.00 C ATOM 247 CD2 LEU A 19 95.223 3.199 -22.904 1.00 0.00 C ATOM 0 H LEU A 19 91.369 0.756 -22.371 1.00 0.00 H new ATOM 0 HA LEU A 19 94.037 0.666 -23.314 1.00 0.00 H new ATOM 0 HB2 LEU A 19 92.511 2.041 -21.135 1.00 0.00 H new ATOM 0 HB3 LEU A 19 94.237 1.893 -20.870 1.00 0.00 H new ATOM 0 HG LEU A 19 93.182 2.872 -23.546 1.00 0.00 H new ATOM 0 HD11 LEU A 19 93.392 5.204 -22.684 1.00 0.00 H new ATOM 0 HD12 LEU A 19 92.146 4.301 -21.790 1.00 0.00 H new ATOM 0 HD13 LEU A 19 93.747 4.567 -21.061 1.00 0.00 H new ATOM 0 HD21 LEU A 19 95.392 4.026 -23.594 1.00 0.00 H new ATOM 0 HD22 LEU A 19 95.756 3.389 -21.972 1.00 0.00 H new ATOM 0 HD23 LEU A 19 95.590 2.274 -23.350 1.00 0.00 H new ATOM 259 N THR A 20 93.469 -0.893 -20.423 1.00 0.00 N ATOM 260 CA THR A 20 94.009 -1.919 -19.542 1.00 0.00 C ATOM 261 C THR A 20 94.152 -3.256 -20.269 1.00 0.00 C ATOM 262 O THR A 20 95.157 -3.950 -20.117 1.00 0.00 O ATOM 263 CB THR A 20 93.084 -2.104 -18.339 1.00 0.00 C ATOM 264 OG1 THR A 20 92.711 -0.830 -17.841 1.00 0.00 O ATOM 265 CG2 THR A 20 93.807 -2.895 -17.243 1.00 0.00 C ATOM 0 H THR A 20 92.584 -0.488 -20.118 1.00 0.00 H new ATOM 0 HA THR A 20 94.996 -1.593 -19.213 1.00 0.00 H new ATOM 0 HB THR A 20 92.194 -2.655 -18.644 1.00 0.00 H new ATOM 0 HG1 THR A 20 91.765 -0.843 -17.586 1.00 0.00 H new ATOM 0 HG21 THR A 20 93.143 -3.023 -16.389 1.00 0.00 H new ATOM 0 HG22 THR A 20 94.094 -3.873 -17.629 1.00 0.00 H new ATOM 0 HG23 THR A 20 94.699 -2.352 -16.931 1.00 0.00 H new ATOM 273 N VAL A 21 93.130 -3.624 -21.036 1.00 0.00 N ATOM 274 CA VAL A 21 93.145 -4.899 -21.754 1.00 0.00 C ATOM 275 C VAL A 21 94.277 -4.976 -22.785 1.00 0.00 C ATOM 276 O VAL A 21 95.001 -5.969 -22.842 1.00 0.00 O ATOM 277 CB VAL A 21 91.801 -5.105 -22.458 1.00 0.00 C ATOM 278 CG1 VAL A 21 91.845 -6.393 -23.283 1.00 0.00 C ATOM 279 CG2 VAL A 21 90.689 -5.210 -21.410 1.00 0.00 C ATOM 0 H VAL A 21 92.288 -3.066 -21.177 1.00 0.00 H new ATOM 0 HA VAL A 21 93.316 -5.685 -21.019 1.00 0.00 H new ATOM 0 HB VAL A 21 91.604 -4.260 -23.117 1.00 0.00 H new ATOM 0 HG11 VAL A 21 90.887 -6.538 -23.783 1.00 0.00 H new ATOM 0 HG12 VAL A 21 92.637 -6.321 -24.029 1.00 0.00 H new ATOM 0 HG13 VAL A 21 92.042 -7.240 -22.626 1.00 0.00 H new ATOM 0 HG21 VAL A 21 89.731 -5.357 -21.909 1.00 0.00 H new ATOM 0 HG22 VAL A 21 90.888 -6.055 -20.752 1.00 0.00 H new ATOM 0 HG23 VAL A 21 90.655 -4.293 -20.822 1.00 0.00 H new ATOM 289 N LEU A 22 94.401 -3.950 -23.618 1.00 0.00 N ATOM 290 CA LEU A 22 95.423 -3.940 -24.667 1.00 0.00 C ATOM 291 C LEU A 22 96.838 -3.984 -24.083 1.00 0.00 C ATOM 292 O LEU A 22 97.639 -4.839 -24.460 1.00 0.00 O ATOM 293 CB LEU A 22 95.248 -2.681 -25.543 1.00 0.00 C ATOM 294 CG LEU A 22 95.740 -2.925 -26.985 1.00 0.00 C ATOM 295 CD1 LEU A 22 97.184 -3.435 -26.970 1.00 0.00 C ATOM 296 CD2 LEU A 22 94.832 -3.948 -27.706 1.00 0.00 C ATOM 0 H LEU A 22 93.813 -3.117 -23.591 1.00 0.00 H new ATOM 0 HA LEU A 22 95.294 -4.835 -25.275 1.00 0.00 H new ATOM 0 HB2 LEU A 22 94.197 -2.391 -25.560 1.00 0.00 H new ATOM 0 HB3 LEU A 22 95.801 -1.851 -25.104 1.00 0.00 H new ATOM 0 HG LEU A 22 95.698 -1.979 -27.525 1.00 0.00 H new ATOM 0 HD11 LEU A 22 97.521 -3.604 -27.993 1.00 0.00 H new ATOM 0 HD12 LEU A 22 97.827 -2.694 -26.494 1.00 0.00 H new ATOM 0 HD13 LEU A 22 97.234 -4.370 -26.413 1.00 0.00 H new ATOM 0 HD21 LEU A 22 95.196 -4.106 -28.721 1.00 0.00 H new ATOM 0 HD22 LEU A 22 94.847 -4.894 -27.164 1.00 0.00 H new ATOM 0 HD23 LEU A 22 93.811 -3.567 -27.742 1.00 0.00 H new ATOM 308 N ILE A 23 97.151 -3.066 -23.175 1.00 0.00 N ATOM 309 CA ILE A 23 98.484 -3.038 -22.583 1.00 0.00 C ATOM 310 C ILE A 23 98.780 -4.366 -21.890 1.00 0.00 C ATOM 311 O ILE A 23 99.869 -4.924 -22.037 1.00 0.00 O ATOM 312 CB ILE A 23 98.599 -1.876 -21.589 1.00 0.00 C ATOM 313 CG1 ILE A 23 98.214 -0.568 -22.288 1.00 0.00 C ATOM 314 CG2 ILE A 23 100.043 -1.757 -21.084 1.00 0.00 C ATOM 315 CD1 ILE A 23 98.032 0.531 -21.241 1.00 0.00 C ATOM 0 H ILE A 23 96.514 -2.344 -22.838 1.00 0.00 H new ATOM 0 HA ILE A 23 99.218 -2.889 -23.375 1.00 0.00 H new ATOM 0 HB ILE A 23 97.932 -2.064 -20.748 1.00 0.00 H new ATOM 0 HG12 ILE A 23 98.987 -0.282 -23.001 1.00 0.00 H new ATOM 0 HG13 ILE A 23 97.292 -0.703 -22.854 1.00 0.00 H new ATOM 0 HG21 ILE A 23 100.115 -0.929 -20.379 1.00 0.00 H new ATOM 0 HG22 ILE A 23 100.332 -2.683 -20.587 1.00 0.00 H new ATOM 0 HG23 ILE A 23 100.709 -1.574 -21.927 1.00 0.00 H new ATOM 0 HD11 ILE A 23 97.758 1.463 -21.736 1.00 0.00 H new ATOM 0 HD12 ILE A 23 97.243 0.244 -20.545 1.00 0.00 H new ATOM 0 HD13 ILE A 23 98.965 0.671 -20.694 1.00 0.00 H new ATOM 327 N ALA A 24 97.807 -4.871 -21.141 1.00 0.00 N ATOM 328 CA ALA A 24 97.980 -6.138 -20.440 1.00 0.00 C ATOM 329 C ALA A 24 98.258 -7.260 -21.436 1.00 0.00 C ATOM 330 O ALA A 24 99.066 -8.150 -21.174 1.00 0.00 O ATOM 331 CB ALA A 24 96.723 -6.466 -19.635 1.00 0.00 C ATOM 0 H ALA A 24 96.898 -4.428 -21.004 1.00 0.00 H new ATOM 0 HA ALA A 24 98.828 -6.047 -19.762 1.00 0.00 H new ATOM 0 HB1 ALA A 24 96.861 -7.414 -19.115 1.00 0.00 H new ATOM 0 HB2 ALA A 24 96.541 -5.676 -18.907 1.00 0.00 H new ATOM 0 HB3 ALA A 24 95.869 -6.543 -20.308 1.00 0.00 H new ATOM 337 N LEU A 25 97.587 -7.204 -22.583 1.00 0.00 N ATOM 338 CA LEU A 25 97.772 -8.215 -23.619 1.00 0.00 C ATOM 339 C LEU A 25 99.199 -8.136 -24.164 1.00 0.00 C ATOM 340 O LEU A 25 99.890 -9.148 -24.282 1.00 0.00 O ATOM 341 CB LEU A 25 96.748 -7.987 -24.751 1.00 0.00 C ATOM 342 CG LEU A 25 96.422 -9.303 -25.489 1.00 0.00 C ATOM 343 CD1 LEU A 25 97.712 -9.989 -25.944 1.00 0.00 C ATOM 344 CD2 LEU A 25 95.618 -10.256 -24.577 1.00 0.00 C ATOM 0 H LEU A 25 96.914 -6.474 -22.818 1.00 0.00 H new ATOM 0 HA LEU A 25 97.613 -9.207 -23.197 1.00 0.00 H new ATOM 0 HB2 LEU A 25 95.833 -7.564 -24.336 1.00 0.00 H new ATOM 0 HB3 LEU A 25 97.143 -7.259 -25.460 1.00 0.00 H new ATOM 0 HG LEU A 25 95.817 -9.062 -26.363 1.00 0.00 H new ATOM 0 HD11 LEU A 25 97.468 -10.916 -26.463 1.00 0.00 H new ATOM 0 HD12 LEU A 25 98.257 -9.328 -26.618 1.00 0.00 H new ATOM 0 HD13 LEU A 25 98.331 -10.212 -25.075 1.00 0.00 H new ATOM 0 HD21 LEU A 25 95.399 -11.177 -25.117 1.00 0.00 H new ATOM 0 HD22 LEU A 25 96.203 -10.487 -23.687 1.00 0.00 H new ATOM 0 HD23 LEU A 25 94.684 -9.777 -24.283 1.00 0.00 H new ATOM 356 N ALA A 26 99.634 -6.923 -24.487 1.00 0.00 N ATOM 357 CA ALA A 26 100.979 -6.721 -25.013 1.00 0.00 C ATOM 358 C ALA A 26 102.013 -7.373 -24.101 1.00 0.00 C ATOM 359 O ALA A 26 102.910 -8.074 -24.567 1.00 0.00 O ATOM 360 CB ALA A 26 101.276 -5.225 -25.133 1.00 0.00 C ATOM 0 H ALA A 26 99.080 -6.071 -24.395 1.00 0.00 H new ATOM 0 HA ALA A 26 101.035 -7.182 -25.999 1.00 0.00 H new ATOM 0 HB1 ALA A 26 102.283 -5.084 -25.527 1.00 0.00 H new ATOM 0 HB2 ALA A 26 100.555 -4.764 -25.808 1.00 0.00 H new ATOM 0 HB3 ALA A 26 101.202 -4.759 -24.150 1.00 0.00 H new ATOM 366 N VAL A 27 101.880 -7.135 -22.802 1.00 0.00 N ATOM 367 CA VAL A 27 102.810 -7.705 -21.832 1.00 0.00 C ATOM 368 C VAL A 27 102.752 -9.230 -21.858 1.00 0.00 C ATOM 369 O VAL A 27 103.786 -9.897 -21.853 1.00 0.00 O ATOM 370 CB VAL A 27 102.472 -7.201 -20.428 1.00 0.00 C ATOM 371 CG1 VAL A 27 103.384 -7.880 -19.404 1.00 0.00 C ATOM 372 CG2 VAL A 27 102.683 -5.688 -20.369 1.00 0.00 C ATOM 0 H VAL A 27 101.144 -6.556 -22.397 1.00 0.00 H new ATOM 0 HA VAL A 27 103.819 -7.391 -22.098 1.00 0.00 H new ATOM 0 HB VAL A 27 101.433 -7.437 -20.199 1.00 0.00 H new ATOM 0 HG11 VAL A 27 103.141 -7.519 -18.405 1.00 0.00 H new ATOM 0 HG12 VAL A 27 103.238 -8.959 -19.446 1.00 0.00 H new ATOM 0 HG13 VAL A 27 104.424 -7.646 -19.631 1.00 0.00 H new ATOM 0 HG21 VAL A 27 102.443 -5.326 -19.369 1.00 0.00 H new ATOM 0 HG22 VAL A 27 103.723 -5.456 -20.599 1.00 0.00 H new ATOM 0 HG23 VAL A 27 102.034 -5.201 -21.097 1.00 0.00 H new ATOM 382 N TYR A 28 101.539 -9.775 -21.881 1.00 0.00 N ATOM 383 CA TYR A 28 101.364 -11.223 -21.902 1.00 0.00 C ATOM 384 C TYR A 28 102.124 -11.840 -23.074 1.00 0.00 C ATOM 385 O TYR A 28 102.785 -12.866 -22.925 1.00 0.00 O ATOM 386 CB TYR A 28 99.879 -11.571 -22.016 1.00 0.00 C ATOM 387 CG TYR A 28 99.693 -13.056 -21.810 1.00 0.00 C ATOM 388 CD1 TYR A 28 99.497 -13.566 -20.522 1.00 0.00 C ATOM 389 CD2 TYR A 28 99.720 -13.924 -22.910 1.00 0.00 C ATOM 390 CE1 TYR A 28 99.325 -14.943 -20.331 1.00 0.00 C ATOM 391 CE2 TYR A 28 99.548 -15.300 -22.719 1.00 0.00 C ATOM 392 CZ TYR A 28 99.352 -15.810 -21.429 1.00 0.00 C ATOM 393 OH TYR A 28 99.183 -17.166 -21.242 1.00 0.00 O ATOM 0 H TYR A 28 100.670 -9.241 -21.886 1.00 0.00 H new ATOM 0 HA TYR A 28 101.761 -11.629 -20.972 1.00 0.00 H new ATOM 0 HB2 TYR A 28 99.306 -11.015 -21.274 1.00 0.00 H new ATOM 0 HB3 TYR A 28 99.500 -11.278 -22.995 1.00 0.00 H new ATOM 0 HD1 TYR A 28 99.478 -12.897 -19.674 1.00 0.00 H new ATOM 0 HD2 TYR A 28 99.873 -13.532 -23.904 1.00 0.00 H new ATOM 0 HE1 TYR A 28 99.172 -15.335 -19.337 1.00 0.00 H new ATOM 0 HE2 TYR A 28 99.566 -15.969 -23.567 1.00 0.00 H new ATOM 0 HH TYR A 28 99.228 -17.624 -22.107 1.00 0.00 H new ATOM 403 N PHE A 29 102.024 -11.207 -24.239 1.00 0.00 N ATOM 404 CA PHE A 29 102.706 -11.704 -25.428 1.00 0.00 C ATOM 405 C PHE A 29 104.212 -11.768 -25.193 1.00 0.00 C ATOM 406 O PHE A 29 104.852 -12.780 -25.478 1.00 0.00 O ATOM 407 CB PHE A 29 102.411 -10.792 -26.620 1.00 0.00 C ATOM 408 CG PHE A 29 103.101 -11.330 -27.851 1.00 0.00 C ATOM 409 CD1 PHE A 29 102.497 -12.344 -28.605 1.00 0.00 C ATOM 410 CD2 PHE A 29 104.345 -10.816 -28.239 1.00 0.00 C ATOM 411 CE1 PHE A 29 103.136 -12.842 -29.747 1.00 0.00 C ATOM 412 CE2 PHE A 29 104.983 -11.314 -29.381 1.00 0.00 C ATOM 413 CZ PHE A 29 104.379 -12.327 -30.135 1.00 0.00 C ATOM 0 H PHE A 29 101.482 -10.355 -24.384 1.00 0.00 H new ATOM 0 HA PHE A 29 102.340 -12.708 -25.641 1.00 0.00 H new ATOM 0 HB2 PHE A 29 101.336 -10.734 -26.789 1.00 0.00 H new ATOM 0 HB3 PHE A 29 102.756 -9.779 -26.410 1.00 0.00 H new ATOM 0 HD1 PHE A 29 101.539 -12.742 -28.306 1.00 0.00 H new ATOM 0 HD2 PHE A 29 104.812 -10.035 -27.657 1.00 0.00 H new ATOM 0 HE1 PHE A 29 102.670 -13.624 -30.329 1.00 0.00 H new ATOM 0 HE2 PHE A 29 105.942 -10.917 -29.680 1.00 0.00 H new ATOM 0 HZ PHE A 29 104.872 -12.711 -31.016 1.00 0.00 H new ATOM 423 N LEU A 30 104.771 -10.682 -24.671 1.00 0.00 N ATOM 424 CA LEU A 30 106.203 -10.627 -24.401 1.00 0.00 C ATOM 425 C LEU A 30 106.583 -11.647 -23.333 1.00 0.00 C ATOM 426 O LEU A 30 107.593 -12.339 -23.454 1.00 0.00 O ATOM 427 CB LEU A 30 106.592 -9.214 -23.939 1.00 0.00 C ATOM 428 CG LEU A 30 108.130 -9.112 -23.728 1.00 0.00 C ATOM 429 CD1 LEU A 30 108.641 -7.754 -24.227 1.00 0.00 C ATOM 430 CD2 LEU A 30 108.476 -9.244 -22.236 1.00 0.00 C ATOM 0 H LEU A 30 104.259 -9.834 -24.428 1.00 0.00 H new ATOM 0 HA LEU A 30 106.742 -10.866 -25.318 1.00 0.00 H new ATOM 0 HB2 LEU A 30 106.272 -8.482 -24.680 1.00 0.00 H new ATOM 0 HB3 LEU A 30 106.075 -8.974 -23.010 1.00 0.00 H new ATOM 0 HG LEU A 30 108.603 -9.918 -24.288 1.00 0.00 H new ATOM 0 HD11 LEU A 30 109.719 -7.692 -24.075 1.00 0.00 H new ATOM 0 HD12 LEU A 30 108.418 -7.649 -25.289 1.00 0.00 H new ATOM 0 HD13 LEU A 30 108.150 -6.954 -23.672 1.00 0.00 H new ATOM 0 HD21 LEU A 30 109.556 -9.171 -22.105 1.00 0.00 H new ATOM 0 HD22 LEU A 30 107.988 -8.446 -21.677 1.00 0.00 H new ATOM 0 HD23 LEU A 30 108.131 -10.209 -21.866 1.00 0.00 H new ATOM 523 N GLU A 37 105.502 -15.171 -11.087 1.00 0.00 N ATOM 524 CA GLU A 37 105.123 -13.884 -10.516 1.00 0.00 C ATOM 525 C GLU A 37 103.895 -13.325 -11.228 1.00 0.00 C ATOM 526 O GLU A 37 103.603 -12.132 -11.138 1.00 0.00 O ATOM 527 CB GLU A 37 106.281 -12.894 -10.641 1.00 0.00 C ATOM 528 CG GLU A 37 107.438 -13.346 -9.746 1.00 0.00 C ATOM 529 CD GLU A 37 108.625 -12.405 -9.915 1.00 0.00 C ATOM 530 OE1 GLU A 37 108.478 -11.418 -10.617 1.00 0.00 O ATOM 531 OE2 GLU A 37 109.663 -12.685 -9.338 1.00 0.00 O ATOM 0 HA GLU A 37 104.885 -14.031 -9.463 1.00 0.00 H new ATOM 0 HB2 GLU A 37 106.611 -12.834 -11.678 1.00 0.00 H new ATOM 0 HB3 GLU A 37 105.953 -11.896 -10.352 1.00 0.00 H new ATOM 0 HG2 GLU A 37 107.119 -13.359 -8.704 1.00 0.00 H new ATOM 0 HG3 GLU A 37 107.731 -14.364 -10.002 1.00 0.00 H new ATOM 538 N VAL A 38 103.179 -14.195 -11.932 1.00 0.00 N ATOM 539 CA VAL A 38 101.983 -13.780 -12.655 1.00 0.00 C ATOM 540 C VAL A 38 100.987 -13.117 -11.707 1.00 0.00 C ATOM 541 O VAL A 38 100.150 -12.319 -12.129 1.00 0.00 O ATOM 542 CB VAL A 38 101.331 -14.986 -13.335 1.00 0.00 C ATOM 543 CG1 VAL A 38 102.340 -15.647 -14.275 1.00 0.00 C ATOM 544 CG2 VAL A 38 100.889 -15.996 -12.273 1.00 0.00 C ATOM 0 H VAL A 38 103.404 -15.186 -12.017 1.00 0.00 H new ATOM 0 HA VAL A 38 102.275 -13.057 -13.417 1.00 0.00 H new ATOM 0 HB VAL A 38 100.463 -14.655 -13.905 1.00 0.00 H new ATOM 0 HG11 VAL A 38 101.877 -16.506 -14.760 1.00 0.00 H new ATOM 0 HG12 VAL A 38 102.656 -14.930 -15.032 1.00 0.00 H new ATOM 0 HG13 VAL A 38 103.208 -15.977 -13.704 1.00 0.00 H new ATOM 0 HG21 VAL A 38 100.425 -16.855 -12.758 1.00 0.00 H new ATOM 0 HG22 VAL A 38 101.757 -16.327 -11.702 1.00 0.00 H new ATOM 0 HG23 VAL A 38 100.170 -15.527 -11.601 1.00 0.00 H new ATOM 554 N LEU A 39 101.082 -13.455 -10.423 1.00 0.00 N ATOM 555 CA LEU A 39 100.180 -12.886 -9.425 1.00 0.00 C ATOM 556 C LEU A 39 100.076 -11.371 -9.603 1.00 0.00 C ATOM 557 O LEU A 39 99.032 -10.778 -9.338 1.00 0.00 O ATOM 558 CB LEU A 39 100.696 -13.201 -8.013 1.00 0.00 C ATOM 559 CG LEU A 39 100.358 -14.649 -7.639 1.00 0.00 C ATOM 560 CD1 LEU A 39 101.110 -15.612 -8.561 1.00 0.00 C ATOM 561 CD2 LEU A 39 100.773 -14.904 -6.187 1.00 0.00 C ATOM 0 H LEU A 39 101.767 -14.113 -10.052 1.00 0.00 H new ATOM 0 HA LEU A 39 99.193 -13.328 -9.558 1.00 0.00 H new ATOM 0 HB2 LEU A 39 101.774 -13.048 -7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 39 100.247 -12.517 -7.293 1.00 0.00 H new ATOM 0 HG LEU A 39 99.286 -14.811 -7.750 1.00 0.00 H new ATOM 0 HD11 LEU A 39 100.866 -16.639 -8.291 1.00 0.00 H new ATOM 0 HD12 LEU A 39 100.817 -15.429 -9.595 1.00 0.00 H new ATOM 0 HD13 LEU A 39 102.183 -15.454 -8.455 1.00 0.00 H new ATOM 0 HD21 LEU A 39 100.535 -15.932 -5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 39 101.845 -14.740 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 39 100.235 -14.221 -5.529 1.00 0.00 H new ATOM 573 N GLY A 40 101.166 -10.753 -10.047 1.00 0.00 N ATOM 574 CA GLY A 40 101.181 -9.308 -10.251 1.00 0.00 C ATOM 575 C GLY A 40 100.254 -8.903 -11.393 1.00 0.00 C ATOM 576 O GLY A 40 99.418 -8.012 -11.238 1.00 0.00 O ATOM 0 H GLY A 40 102.043 -11.224 -10.271 1.00 0.00 H new ATOM 0 HA2 GLY A 40 100.874 -8.805 -9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 40 102.197 -8.979 -10.470 1.00 0.00 H new ATOM 580 N ILE A 41 100.410 -9.560 -12.538 1.00 0.00 N ATOM 581 CA ILE A 41 99.583 -9.259 -13.705 1.00 0.00 C ATOM 582 C ILE A 41 98.109 -9.504 -13.398 1.00 0.00 C ATOM 583 O ILE A 41 97.240 -8.728 -13.797 1.00 0.00 O ATOM 584 CB ILE A 41 100.010 -10.132 -14.886 1.00 0.00 C ATOM 585 CG1 ILE A 41 101.514 -9.965 -15.127 1.00 0.00 C ATOM 586 CG2 ILE A 41 99.244 -9.706 -16.139 1.00 0.00 C ATOM 587 CD1 ILE A 41 101.977 -10.973 -16.180 1.00 0.00 C ATOM 0 H ILE A 41 101.097 -10.300 -12.684 1.00 0.00 H new ATOM 0 HA ILE A 41 99.719 -8.208 -13.960 1.00 0.00 H new ATOM 0 HB ILE A 41 99.791 -11.176 -14.663 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.729 -8.950 -15.461 1.00 0.00 H new ATOM 0 HG13 ILE A 41 102.061 -10.118 -14.197 1.00 0.00 H new ATOM 0 HG21 ILE A 41 99.548 -10.328 -16.981 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.174 -9.824 -15.969 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.463 -8.662 -16.362 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.047 -10.854 -16.352 1.00 0.00 H new ATOM 0 HD12 ILE A 41 101.776 -11.985 -15.828 1.00 0.00 H new ATOM 0 HD13 ILE A 41 101.439 -10.799 -17.112 1.00 0.00 H new ATOM 599 N ILE A 42 97.834 -10.589 -12.689 1.00 0.00 N ATOM 600 CA ILE A 42 96.461 -10.922 -12.336 1.00 0.00 C ATOM 601 C ILE A 42 95.891 -9.881 -11.378 1.00 0.00 C ATOM 602 O ILE A 42 94.725 -9.506 -11.476 1.00 0.00 O ATOM 603 CB ILE A 42 96.411 -12.305 -11.685 1.00 0.00 C ATOM 604 CG1 ILE A 42 96.967 -13.346 -12.661 1.00 0.00 C ATOM 605 CG2 ILE A 42 94.963 -12.655 -11.339 1.00 0.00 C ATOM 606 CD1 ILE A 42 97.146 -14.681 -11.937 1.00 0.00 C ATOM 0 H ILE A 42 98.535 -11.248 -12.350 1.00 0.00 H new ATOM 0 HA ILE A 42 95.860 -10.930 -13.245 1.00 0.00 H new ATOM 0 HB ILE A 42 97.011 -12.300 -10.775 1.00 0.00 H new ATOM 0 HG12 ILE A 42 96.289 -13.467 -13.506 1.00 0.00 H new ATOM 0 HG13 ILE A 42 97.922 -13.008 -13.064 1.00 0.00 H new ATOM 0 HG21 ILE A 42 94.928 -13.641 -10.875 1.00 0.00 H new ATOM 0 HG22 ILE A 42 94.565 -11.914 -10.646 1.00 0.00 H new ATOM 0 HG23 ILE A 42 94.363 -12.661 -12.249 1.00 0.00 H new ATOM 0 HD11 ILE A 42 97.542 -15.422 -12.632 1.00 0.00 H new ATOM 0 HD12 ILE A 42 97.841 -14.554 -11.107 1.00 0.00 H new ATOM 0 HD13 ILE A 42 96.183 -15.020 -11.555 1.00 0.00 H new ATOM 618 N SER A 43 96.722 -9.429 -10.444 1.00 0.00 N ATOM 619 CA SER A 43 96.294 -8.442 -9.457 1.00 0.00 C ATOM 620 C SER A 43 95.846 -7.138 -10.116 1.00 0.00 C ATOM 621 O SER A 43 94.768 -6.624 -9.816 1.00 0.00 O ATOM 622 CB SER A 43 97.442 -8.151 -8.489 1.00 0.00 C ATOM 623 OG SER A 43 97.162 -6.956 -7.773 1.00 0.00 O ATOM 0 H SER A 43 97.692 -9.729 -10.349 1.00 0.00 H new ATOM 0 HA SER A 43 95.443 -8.859 -8.919 1.00 0.00 H new ATOM 0 HB2 SER A 43 97.568 -8.983 -7.796 1.00 0.00 H new ATOM 0 HB3 SER A 43 98.378 -8.049 -9.038 1.00 0.00 H new ATOM 0 HG SER A 43 97.895 -6.768 -7.151 1.00 0.00 H new ATOM 629 N ILE A 44 96.679 -6.593 -10.999 1.00 0.00 N ATOM 630 CA ILE A 44 96.342 -5.336 -11.665 1.00 0.00 C ATOM 631 C ILE A 44 95.108 -5.496 -12.557 1.00 0.00 C ATOM 632 O ILE A 44 94.212 -4.651 -12.550 1.00 0.00 O ATOM 633 CB ILE A 44 97.536 -4.833 -12.489 1.00 0.00 C ATOM 634 CG1 ILE A 44 98.014 -5.942 -13.431 1.00 0.00 C ATOM 635 CG2 ILE A 44 98.681 -4.443 -11.549 1.00 0.00 C ATOM 636 CD1 ILE A 44 99.313 -5.519 -14.131 1.00 0.00 C ATOM 0 H ILE A 44 97.578 -6.993 -11.267 1.00 0.00 H new ATOM 0 HA ILE A 44 96.108 -4.599 -10.897 1.00 0.00 H new ATOM 0 HB ILE A 44 97.229 -3.965 -13.072 1.00 0.00 H new ATOM 0 HG12 ILE A 44 98.178 -6.861 -12.869 1.00 0.00 H new ATOM 0 HG13 ILE A 44 97.245 -6.155 -14.173 1.00 0.00 H new ATOM 0 HG21 ILE A 44 99.528 -4.086 -12.135 1.00 0.00 H new ATOM 0 HG22 ILE A 44 98.347 -3.653 -10.877 1.00 0.00 H new ATOM 0 HG23 ILE A 44 98.984 -5.312 -10.965 1.00 0.00 H new ATOM 0 HD11 ILE A 44 99.643 -6.316 -14.798 1.00 0.00 H new ATOM 0 HD12 ILE A 44 99.136 -4.612 -14.709 1.00 0.00 H new ATOM 0 HD13 ILE A 44 100.084 -5.329 -13.384 1.00 0.00 H new ATOM 648 N VAL A 45 95.048 -6.579 -13.318 1.00 0.00 N ATOM 649 CA VAL A 45 93.898 -6.804 -14.187 1.00 0.00 C ATOM 650 C VAL A 45 92.609 -6.822 -13.361 1.00 0.00 C ATOM 651 O VAL A 45 91.586 -6.256 -13.763 1.00 0.00 O ATOM 652 CB VAL A 45 94.060 -8.136 -14.933 1.00 0.00 C ATOM 653 CG1 VAL A 45 92.751 -8.508 -15.640 1.00 0.00 C ATOM 654 CG2 VAL A 45 95.170 -8.002 -15.978 1.00 0.00 C ATOM 0 H VAL A 45 95.765 -7.303 -13.354 1.00 0.00 H new ATOM 0 HA VAL A 45 93.840 -5.993 -14.913 1.00 0.00 H new ATOM 0 HB VAL A 45 94.315 -8.915 -14.214 1.00 0.00 H new ATOM 0 HG11 VAL A 45 92.878 -9.454 -16.166 1.00 0.00 H new ATOM 0 HG12 VAL A 45 91.954 -8.606 -14.903 1.00 0.00 H new ATOM 0 HG13 VAL A 45 92.489 -7.728 -16.355 1.00 0.00 H new ATOM 0 HG21 VAL A 45 95.286 -8.947 -16.509 1.00 0.00 H new ATOM 0 HG22 VAL A 45 94.909 -7.217 -16.688 1.00 0.00 H new ATOM 0 HG23 VAL A 45 96.107 -7.746 -15.483 1.00 0.00 H new ATOM 664 N LEU A 46 92.665 -7.493 -12.217 1.00 0.00 N ATOM 665 CA LEU A 46 91.501 -7.612 -11.346 1.00 0.00 C ATOM 666 C LEU A 46 91.085 -6.253 -10.766 1.00 0.00 C ATOM 667 O LEU A 46 89.889 -5.966 -10.654 1.00 0.00 O ATOM 668 CB LEU A 46 91.817 -8.608 -10.207 1.00 0.00 C ATOM 669 CG LEU A 46 90.573 -9.442 -9.821 1.00 0.00 C ATOM 670 CD1 LEU A 46 89.386 -8.514 -9.532 1.00 0.00 C ATOM 671 CD2 LEU A 46 90.206 -10.426 -10.955 1.00 0.00 C ATOM 0 H LEU A 46 93.502 -7.962 -11.871 1.00 0.00 H new ATOM 0 HA LEU A 46 90.664 -7.981 -11.938 1.00 0.00 H new ATOM 0 HB2 LEU A 46 92.621 -9.275 -10.518 1.00 0.00 H new ATOM 0 HB3 LEU A 46 92.175 -8.062 -9.334 1.00 0.00 H new ATOM 0 HG LEU A 46 90.807 -10.015 -8.924 1.00 0.00 H new ATOM 0 HD11 LEU A 46 88.515 -9.111 -9.261 1.00 0.00 H new ATOM 0 HD12 LEU A 46 89.638 -7.846 -8.708 1.00 0.00 H new ATOM 0 HD13 LEU A 46 89.160 -7.925 -10.421 1.00 0.00 H new ATOM 0 HD21 LEU A 46 89.328 -11.004 -10.665 1.00 0.00 H new ATOM 0 HD22 LEU A 46 89.988 -9.867 -11.865 1.00 0.00 H new ATOM 0 HD23 LEU A 46 91.042 -11.102 -11.135 1.00 0.00 H new ATOM 683 N VAL A 47 92.060 -5.422 -10.389 1.00 0.00 N ATOM 684 CA VAL A 47 91.739 -4.120 -9.813 1.00 0.00 C ATOM 685 C VAL A 47 91.048 -3.251 -10.861 1.00 0.00 C ATOM 686 O VAL A 47 90.230 -2.394 -10.534 1.00 0.00 O ATOM 687 CB VAL A 47 93.024 -3.442 -9.256 1.00 0.00 C ATOM 688 CG1 VAL A 47 93.631 -2.454 -10.269 1.00 0.00 C ATOM 689 CG2 VAL A 47 92.700 -2.682 -7.960 1.00 0.00 C ATOM 0 H VAL A 47 93.057 -5.624 -10.471 1.00 0.00 H new ATOM 0 HA VAL A 47 91.053 -4.251 -8.976 1.00 0.00 H new ATOM 0 HB VAL A 47 93.749 -4.232 -9.061 1.00 0.00 H new ATOM 0 HG11 VAL A 47 94.526 -2.001 -9.844 1.00 0.00 H new ATOM 0 HG12 VAL A 47 93.893 -2.986 -11.184 1.00 0.00 H new ATOM 0 HG13 VAL A 47 92.904 -1.675 -10.498 1.00 0.00 H new ATOM 0 HG21 VAL A 47 93.606 -2.211 -7.578 1.00 0.00 H new ATOM 0 HG22 VAL A 47 91.952 -1.916 -8.165 1.00 0.00 H new ATOM 0 HG23 VAL A 47 92.312 -3.379 -7.217 1.00 0.00 H new ATOM 699 N ALA A 48 91.394 -3.478 -12.121 1.00 0.00 N ATOM 700 CA ALA A 48 90.807 -2.709 -13.209 1.00 0.00 C ATOM 701 C ALA A 48 89.351 -3.091 -13.442 1.00 0.00 C ATOM 702 O ALA A 48 88.482 -2.223 -13.529 1.00 0.00 O ATOM 703 CB ALA A 48 91.603 -2.931 -14.495 1.00 0.00 C ATOM 0 H ALA A 48 92.072 -4.182 -12.413 1.00 0.00 H new ATOM 0 HA ALA A 48 90.843 -1.657 -12.928 1.00 0.00 H new ATOM 0 HB1 ALA A 48 91.157 -2.352 -15.304 1.00 0.00 H new ATOM 0 HB2 ALA A 48 92.634 -2.610 -14.345 1.00 0.00 H new ATOM 0 HB3 ALA A 48 91.587 -3.989 -14.755 1.00 0.00 H new ATOM 709 N THR A 49 89.088 -4.385 -13.562 1.00 0.00 N ATOM 710 CA THR A 49 87.725 -4.840 -13.807 1.00 0.00 C ATOM 711 C THR A 49 86.783 -4.378 -12.697 1.00 0.00 C ATOM 712 O THR A 49 85.692 -3.872 -12.968 1.00 0.00 O ATOM 713 CB THR A 49 87.691 -6.368 -13.915 1.00 0.00 C ATOM 714 OG1 THR A 49 88.813 -6.811 -14.665 1.00 0.00 O ATOM 715 CG2 THR A 49 86.402 -6.809 -14.615 1.00 0.00 C ATOM 0 H THR A 49 89.785 -5.127 -13.495 1.00 0.00 H new ATOM 0 HA THR A 49 87.387 -4.404 -14.747 1.00 0.00 H new ATOM 0 HB THR A 49 87.723 -6.802 -12.916 1.00 0.00 H new ATOM 0 HG1 THR A 49 88.795 -7.788 -14.734 1.00 0.00 H new ATOM 0 HG21 THR A 49 86.382 -7.896 -14.690 1.00 0.00 H new ATOM 0 HG22 THR A 49 85.541 -6.469 -14.040 1.00 0.00 H new ATOM 0 HG23 THR A 49 86.364 -6.376 -15.615 1.00 0.00 H new ATOM 723 N VAL A 50 87.198 -4.562 -11.446 1.00 0.00 N ATOM 724 CA VAL A 50 86.359 -4.164 -10.318 1.00 0.00 C ATOM 725 C VAL A 50 86.238 -2.646 -10.216 1.00 0.00 C ATOM 726 O VAL A 50 85.148 -2.126 -10.004 1.00 0.00 O ATOM 727 CB VAL A 50 86.929 -4.722 -9.011 1.00 0.00 C ATOM 728 CG1 VAL A 50 87.017 -6.249 -9.101 1.00 0.00 C ATOM 729 CG2 VAL A 50 88.322 -4.131 -8.771 1.00 0.00 C ATOM 0 H VAL A 50 88.094 -4.977 -11.190 1.00 0.00 H new ATOM 0 HA VAL A 50 85.364 -4.575 -10.488 1.00 0.00 H new ATOM 0 HB VAL A 50 86.276 -4.451 -8.181 1.00 0.00 H new ATOM 0 HG11 VAL A 50 87.423 -6.646 -8.170 1.00 0.00 H new ATOM 0 HG12 VAL A 50 86.022 -6.662 -9.268 1.00 0.00 H new ATOM 0 HG13 VAL A 50 87.669 -6.528 -9.929 1.00 0.00 H new ATOM 0 HG21 VAL A 50 88.730 -4.527 -7.841 1.00 0.00 H new ATOM 0 HG22 VAL A 50 88.979 -4.400 -9.599 1.00 0.00 H new ATOM 0 HG23 VAL A 50 88.250 -3.046 -8.703 1.00 0.00 H new ATOM 739 N LEU A 51 87.351 -1.929 -10.359 1.00 0.00 N ATOM 740 CA LEU A 51 87.302 -0.474 -10.262 1.00 0.00 C ATOM 741 C LEU A 51 86.258 0.083 -11.215 1.00 0.00 C ATOM 742 O LEU A 51 85.396 0.857 -10.811 1.00 0.00 O ATOM 743 CB LEU A 51 88.681 0.123 -10.579 1.00 0.00 C ATOM 744 CG LEU A 51 88.667 1.656 -10.428 1.00 0.00 C ATOM 745 CD1 LEU A 51 88.542 2.048 -8.948 1.00 0.00 C ATOM 746 CD2 LEU A 51 89.972 2.219 -10.998 1.00 0.00 C ATOM 0 H LEU A 51 88.276 -2.321 -10.538 1.00 0.00 H new ATOM 0 HA LEU A 51 87.026 -0.200 -9.244 1.00 0.00 H new ATOM 0 HB2 LEU A 51 89.429 -0.305 -9.911 1.00 0.00 H new ATOM 0 HB3 LEU A 51 88.972 -0.143 -11.595 1.00 0.00 H new ATOM 0 HG LEU A 51 87.813 2.064 -10.968 1.00 0.00 H new ATOM 0 HD11 LEU A 51 88.534 3.134 -8.859 1.00 0.00 H new ATOM 0 HD12 LEU A 51 87.615 1.643 -8.541 1.00 0.00 H new ATOM 0 HD13 LEU A 51 89.388 1.645 -8.392 1.00 0.00 H new ATOM 0 HD21 LEU A 51 89.975 3.304 -10.897 1.00 0.00 H new ATOM 0 HD22 LEU A 51 90.818 1.802 -10.451 1.00 0.00 H new ATOM 0 HD23 LEU A 51 90.054 1.952 -12.052 1.00 0.00 H new ATOM 758 N LYS A 52 86.337 -0.313 -12.474 1.00 0.00 N ATOM 759 CA LYS A 52 85.386 0.169 -13.461 1.00 0.00 C ATOM 760 C LYS A 52 83.966 -0.224 -13.081 1.00 0.00 C ATOM 761 O LYS A 52 83.049 0.574 -13.191 1.00 0.00 O ATOM 762 CB LYS A 52 85.724 -0.405 -14.840 1.00 0.00 C ATOM 763 CG LYS A 52 87.016 0.239 -15.383 1.00 0.00 C ATOM 764 CD LYS A 52 86.702 1.573 -16.091 1.00 0.00 C ATOM 765 CE LYS A 52 86.328 1.318 -17.554 1.00 0.00 C ATOM 766 NZ LYS A 52 87.498 0.737 -18.269 1.00 0.00 N ATOM 0 H LYS A 52 87.040 -0.959 -12.834 1.00 0.00 H new ATOM 0 HA LYS A 52 85.451 1.257 -13.493 1.00 0.00 H new ATOM 0 HB2 LYS A 52 85.849 -1.486 -14.772 1.00 0.00 H new ATOM 0 HB3 LYS A 52 84.900 -0.222 -15.530 1.00 0.00 H new ATOM 0 HG2 LYS A 52 87.715 0.411 -14.564 1.00 0.00 H new ATOM 0 HG3 LYS A 52 87.503 -0.443 -16.080 1.00 0.00 H new ATOM 0 HD2 LYS A 52 85.883 2.080 -15.581 1.00 0.00 H new ATOM 0 HD3 LYS A 52 87.567 2.234 -16.039 1.00 0.00 H new ATOM 0 HE2 LYS A 52 85.479 0.637 -17.610 1.00 0.00 H new ATOM 0 HE3 LYS A 52 86.022 2.249 -18.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 87.584 1.176 -19.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 88.364 0.917 -17.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 87.364 -0.289 -18.378 1.00 0.00 H new ATOM 780 N THR A 53 83.782 -1.461 -12.653 1.00 0.00 N ATOM 781 CA THR A 53 82.449 -1.931 -12.291 1.00 0.00 C ATOM 782 C THR A 53 81.820 -1.106 -11.155 1.00 0.00 C ATOM 783 O THR A 53 80.664 -0.687 -11.258 1.00 0.00 O ATOM 784 CB THR A 53 82.520 -3.407 -11.883 1.00 0.00 C ATOM 785 OG1 THR A 53 82.937 -4.184 -12.997 1.00 0.00 O ATOM 786 CG2 THR A 53 81.142 -3.884 -11.417 1.00 0.00 C ATOM 0 H THR A 53 84.525 -2.152 -12.547 1.00 0.00 H new ATOM 0 HA THR A 53 81.811 -1.810 -13.167 1.00 0.00 H new ATOM 0 HB THR A 53 83.234 -3.521 -11.067 1.00 0.00 H new ATOM 0 HG1 THR A 53 83.913 -4.140 -13.080 1.00 0.00 H new ATOM 0 HG21 THR A 53 81.199 -4.934 -11.128 1.00 0.00 H new ATOM 0 HG22 THR A 53 80.821 -3.289 -10.562 1.00 0.00 H new ATOM 0 HG23 THR A 53 80.424 -3.769 -12.229 1.00 0.00 H new ATOM 794 N ILE A 54 82.560 -0.902 -10.063 1.00 0.00 N ATOM 795 CA ILE A 54 82.019 -0.167 -8.914 1.00 0.00 C ATOM 796 C ILE A 54 81.851 1.329 -9.187 1.00 0.00 C ATOM 797 O ILE A 54 80.838 1.905 -8.804 1.00 0.00 O ATOM 798 CB ILE A 54 82.918 -0.384 -7.668 1.00 0.00 C ATOM 799 CG1 ILE A 54 82.698 -1.798 -7.077 1.00 0.00 C ATOM 800 CG2 ILE A 54 82.595 0.663 -6.588 1.00 0.00 C ATOM 801 CD1 ILE A 54 83.550 -2.822 -7.827 1.00 0.00 C ATOM 0 H ILE A 54 83.520 -1.228 -9.949 1.00 0.00 H new ATOM 0 HA ILE A 54 81.023 -0.568 -8.726 1.00 0.00 H new ATOM 0 HB ILE A 54 83.957 -0.280 -7.981 1.00 0.00 H new ATOM 0 HG12 ILE A 54 82.959 -1.802 -6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.645 -2.069 -7.147 1.00 0.00 H new ATOM 0 HG21 ILE A 54 83.233 0.499 -5.720 1.00 0.00 H new ATOM 0 HG22 ILE A 54 82.773 1.662 -6.985 1.00 0.00 H new ATOM 0 HG23 ILE A 54 81.550 0.571 -6.293 1.00 0.00 H new ATOM 0 HD11 ILE A 54 83.387 -3.812 -7.402 1.00 0.00 H new ATOM 0 HD12 ILE A 54 83.269 -2.828 -8.880 1.00 0.00 H new ATOM 0 HD13 ILE A 54 84.603 -2.557 -7.734 1.00 0.00 H new ATOM 813 N VAL A 55 82.840 1.972 -9.793 1.00 0.00 N ATOM 814 CA VAL A 55 82.735 3.412 -10.036 1.00 0.00 C ATOM 815 C VAL A 55 81.777 3.728 -11.187 1.00 0.00 C ATOM 816 O VAL A 55 81.104 4.757 -11.174 1.00 0.00 O ATOM 817 CB VAL A 55 84.118 4.012 -10.328 1.00 0.00 C ATOM 818 CG1 VAL A 55 85.107 3.566 -9.246 1.00 0.00 C ATOM 819 CG2 VAL A 55 84.615 3.556 -11.712 1.00 0.00 C ATOM 0 H VAL A 55 83.703 1.538 -10.119 1.00 0.00 H new ATOM 0 HA VAL A 55 82.331 3.863 -9.130 1.00 0.00 H new ATOM 0 HB VAL A 55 84.043 5.099 -10.325 1.00 0.00 H new ATOM 0 HG11 VAL A 55 86.089 3.992 -9.453 1.00 0.00 H new ATOM 0 HG12 VAL A 55 84.760 3.910 -8.272 1.00 0.00 H new ATOM 0 HG13 VAL A 55 85.176 2.478 -9.243 1.00 0.00 H new ATOM 0 HG21 VAL A 55 85.596 3.988 -11.907 1.00 0.00 H new ATOM 0 HG22 VAL A 55 84.687 2.469 -11.733 1.00 0.00 H new ATOM 0 HG23 VAL A 55 83.914 3.888 -12.478 1.00 0.00 H new ATOM 829 N LEU A 56 81.737 2.858 -12.190 1.00 0.00 N ATOM 830 CA LEU A 56 80.881 3.080 -13.351 1.00 0.00 C ATOM 831 C LEU A 56 79.398 2.808 -13.061 1.00 0.00 C ATOM 832 O LEU A 56 78.531 3.495 -13.602 1.00 0.00 O ATOM 833 CB LEU A 56 81.343 2.190 -14.506 1.00 0.00 C ATOM 834 CG LEU A 56 80.658 2.610 -15.824 1.00 0.00 C ATOM 835 CD1 LEU A 56 81.402 3.791 -16.463 1.00 0.00 C ATOM 836 CD2 LEU A 56 80.668 1.432 -16.804 1.00 0.00 C ATOM 0 H LEU A 56 82.283 1.997 -12.224 1.00 0.00 H new ATOM 0 HA LEU A 56 80.970 4.133 -13.616 1.00 0.00 H new ATOM 0 HB2 LEU A 56 82.425 2.259 -14.615 1.00 0.00 H new ATOM 0 HB3 LEU A 56 81.110 1.148 -14.285 1.00 0.00 H new ATOM 0 HG LEU A 56 79.633 2.908 -15.603 1.00 0.00 H new ATOM 0 HD11 LEU A 56 80.906 4.074 -17.391 1.00 0.00 H new ATOM 0 HD12 LEU A 56 81.398 4.638 -15.777 1.00 0.00 H new ATOM 0 HD13 LEU A 56 82.431 3.501 -16.676 1.00 0.00 H new ATOM 0 HD21 LEU A 56 80.184 1.729 -17.735 1.00 0.00 H new ATOM 0 HD22 LEU A 56 81.697 1.137 -17.008 1.00 0.00 H new ATOM 0 HD23 LEU A 56 80.130 0.591 -16.367 1.00 0.00 H new ATOM 848 N ILE A 57 79.095 1.791 -12.254 1.00 0.00 N ATOM 849 CA ILE A 57 77.693 1.456 -11.986 1.00 0.00 C ATOM 850 C ILE A 57 76.897 2.636 -11.388 1.00 0.00 C ATOM 851 O ILE A 57 75.838 2.976 -11.913 1.00 0.00 O ATOM 852 CB ILE A 57 77.613 0.189 -11.087 1.00 0.00 C ATOM 853 CG1 ILE A 57 77.654 -1.073 -11.962 1.00 0.00 C ATOM 854 CG2 ILE A 57 76.314 0.175 -10.266 1.00 0.00 C ATOM 855 CD1 ILE A 57 77.890 -2.303 -11.082 1.00 0.00 C ATOM 0 H ILE A 57 79.779 1.198 -11.785 1.00 0.00 H new ATOM 0 HA ILE A 57 77.217 1.238 -12.942 1.00 0.00 H new ATOM 0 HB ILE A 57 78.464 0.207 -10.406 1.00 0.00 H new ATOM 0 HG12 ILE A 57 76.717 -1.179 -12.508 1.00 0.00 H new ATOM 0 HG13 ILE A 57 78.448 -0.987 -12.704 1.00 0.00 H new ATOM 0 HG21 ILE A 57 76.285 -0.722 -9.647 1.00 0.00 H new ATOM 0 HG22 ILE A 57 76.277 1.058 -9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 57 75.457 0.179 -10.940 1.00 0.00 H new ATOM 0 HD11 ILE A 57 77.919 -3.197 -11.706 1.00 0.00 H new ATOM 0 HD12 ILE A 57 78.839 -2.197 -10.556 1.00 0.00 H new ATOM 0 HD13 ILE A 57 77.081 -2.392 -10.357 1.00 0.00 H new ATOM 867 N PRO A 58 77.347 3.261 -10.326 1.00 0.00 N ATOM 868 CA PRO A 58 76.598 4.399 -9.717 1.00 0.00 C ATOM 869 C PRO A 58 76.630 5.628 -10.621 1.00 0.00 C ATOM 870 O PRO A 58 75.723 6.460 -10.597 1.00 0.00 O ATOM 871 CB PRO A 58 77.323 4.649 -8.385 1.00 0.00 C ATOM 872 CG PRO A 58 78.710 4.130 -8.596 1.00 0.00 C ATOM 873 CD PRO A 58 78.593 2.976 -9.599 1.00 0.00 C ATOM 0 HA PRO A 58 75.540 4.180 -9.575 1.00 0.00 H new ATOM 0 HB2 PRO A 58 77.332 5.710 -8.134 1.00 0.00 H new ATOM 0 HB3 PRO A 58 76.829 4.131 -7.563 1.00 0.00 H new ATOM 0 HG2 PRO A 58 79.363 4.913 -8.980 1.00 0.00 H new ATOM 0 HG3 PRO A 58 79.143 3.786 -7.657 1.00 0.00 H new ATOM 0 HD2 PRO A 58 79.450 2.944 -10.272 1.00 0.00 H new ATOM 0 HD3 PRO A 58 78.549 2.011 -9.094 1.00 0.00 H new ATOM 881 N PHE A 59 77.685 5.723 -11.417 1.00 0.00 N ATOM 882 CA PHE A 59 77.857 6.828 -12.331 1.00 0.00 C ATOM 883 C PHE A 59 76.748 6.824 -13.381 1.00 0.00 C ATOM 884 O PHE A 59 76.027 7.811 -13.535 1.00 0.00 O ATOM 885 CB PHE A 59 79.221 6.695 -13.011 1.00 0.00 C ATOM 886 CG PHE A 59 80.363 7.121 -12.090 1.00 0.00 C ATOM 887 CD1 PHE A 59 80.214 7.172 -10.685 1.00 0.00 C ATOM 888 CD2 PHE A 59 81.596 7.465 -12.663 1.00 0.00 C ATOM 889 CE1 PHE A 59 81.292 7.563 -9.882 1.00 0.00 C ATOM 890 CE2 PHE A 59 82.668 7.856 -11.851 1.00 0.00 C ATOM 891 CZ PHE A 59 82.515 7.904 -10.463 1.00 0.00 C ATOM 0 H PHE A 59 78.439 5.037 -11.443 1.00 0.00 H new ATOM 0 HA PHE A 59 77.806 7.768 -11.782 1.00 0.00 H new ATOM 0 HB2 PHE A 59 79.372 5.661 -13.322 1.00 0.00 H new ATOM 0 HB3 PHE A 59 79.237 7.305 -13.914 1.00 0.00 H new ATOM 0 HD1 PHE A 59 79.270 6.910 -10.232 1.00 0.00 H new ATOM 0 HD2 PHE A 59 81.719 7.428 -13.735 1.00 0.00 H new ATOM 0 HE1 PHE A 59 81.177 7.601 -8.809 1.00 0.00 H new ATOM 0 HE2 PHE A 59 83.615 8.121 -12.298 1.00 0.00 H new ATOM 0 HZ PHE A 59 83.343 8.205 -9.839 1.00 0.00 H new ATOM 901 N LEU A 60 76.615 5.711 -14.098 1.00 0.00 N ATOM 902 CA LEU A 60 75.584 5.604 -15.125 1.00 0.00 C ATOM 903 C LEU A 60 74.227 5.344 -14.480 1.00 0.00 C ATOM 904 O LEU A 60 73.291 4.888 -15.137 1.00 0.00 O ATOM 905 CB LEU A 60 75.927 4.468 -16.100 1.00 0.00 C ATOM 906 CG LEU A 60 77.014 4.924 -17.093 1.00 0.00 C ATOM 907 CD1 LEU A 60 76.448 5.950 -18.097 1.00 0.00 C ATOM 908 CD2 LEU A 60 78.183 5.548 -16.319 1.00 0.00 C ATOM 0 H LEU A 60 77.199 4.882 -13.989 1.00 0.00 H new ATOM 0 HA LEU A 60 75.539 6.543 -15.677 1.00 0.00 H new ATOM 0 HB2 LEU A 60 76.274 3.596 -15.545 1.00 0.00 H new ATOM 0 HB3 LEU A 60 75.033 4.164 -16.644 1.00 0.00 H new ATOM 0 HG LEU A 60 77.362 4.055 -17.651 1.00 0.00 H new ATOM 0 HD11 LEU A 60 77.235 6.256 -18.787 1.00 0.00 H new ATOM 0 HD12 LEU A 60 75.630 5.498 -18.657 1.00 0.00 H new ATOM 0 HD13 LEU A 60 76.079 6.822 -17.557 1.00 0.00 H new ATOM 0 HD21 LEU A 60 78.953 5.871 -17.020 1.00 0.00 H new ATOM 0 HD22 LEU A 60 77.826 6.407 -15.751 1.00 0.00 H new ATOM 0 HD23 LEU A 60 78.602 4.810 -15.635 1.00 0.00 H new ATOM 1000 N VAL B 4 76.215 16.292 -14.280 1.00 0.00 N ATOM 1001 CA VAL B 4 77.031 15.287 -13.608 1.00 0.00 C ATOM 1002 C VAL B 4 78.003 14.646 -14.591 1.00 0.00 C ATOM 1003 O VAL B 4 79.118 14.275 -14.223 1.00 0.00 O ATOM 1004 CB VAL B 4 76.139 14.207 -12.993 1.00 0.00 C ATOM 1005 CG1 VAL B 4 75.302 14.816 -11.867 1.00 0.00 C ATOM 1006 CG2 VAL B 4 75.211 13.637 -14.069 1.00 0.00 C ATOM 0 HA VAL B 4 77.598 15.779 -12.817 1.00 0.00 H new ATOM 0 HB VAL B 4 76.762 13.408 -12.591 1.00 0.00 H new ATOM 0 HG11 VAL B 4 74.666 14.046 -11.429 1.00 0.00 H new ATOM 0 HG12 VAL B 4 75.963 15.221 -11.100 1.00 0.00 H new ATOM 0 HG13 VAL B 4 74.679 15.616 -12.268 1.00 0.00 H new ATOM 0 HG21 VAL B 4 74.575 12.867 -13.631 1.00 0.00 H new ATOM 0 HG22 VAL B 4 74.588 14.435 -14.473 1.00 0.00 H new ATOM 0 HG23 VAL B 4 75.808 13.202 -14.871 1.00 0.00 H new ATOM 1016 N SER B 5 77.573 14.519 -15.842 1.00 0.00 N ATOM 1017 CA SER B 5 78.411 13.922 -16.876 1.00 0.00 C ATOM 1018 C SER B 5 79.869 14.383 -16.744 1.00 0.00 C ATOM 1019 O SER B 5 80.760 13.565 -16.513 1.00 0.00 O ATOM 1020 CB SER B 5 77.850 14.267 -18.265 1.00 0.00 C ATOM 1021 OG SER B 5 77.120 13.151 -18.757 1.00 0.00 O ATOM 0 H SER B 5 76.653 14.820 -16.164 1.00 0.00 H new ATOM 0 HA SER B 5 78.399 12.839 -16.750 1.00 0.00 H new ATOM 0 HB2 SER B 5 77.204 15.143 -18.204 1.00 0.00 H new ATOM 0 HB3 SER B 5 78.662 14.517 -18.948 1.00 0.00 H new ATOM 0 HG SER B 5 77.738 12.511 -19.167 1.00 0.00 H new ATOM 1027 N PRO B 6 80.134 15.661 -16.889 1.00 0.00 N ATOM 1028 CA PRO B 6 81.525 16.202 -16.779 1.00 0.00 C ATOM 1029 C PRO B 6 82.130 15.968 -15.391 1.00 0.00 C ATOM 1030 O PRO B 6 83.178 16.524 -15.064 1.00 0.00 O ATOM 1031 CB PRO B 6 81.364 17.705 -17.084 1.00 0.00 C ATOM 1032 CG PRO B 6 79.921 18.005 -16.824 1.00 0.00 C ATOM 1033 CD PRO B 6 79.157 16.729 -17.169 1.00 0.00 C ATOM 0 HA PRO B 6 82.214 15.706 -17.463 1.00 0.00 H new ATOM 0 HB2 PRO B 6 82.012 18.308 -16.448 1.00 0.00 H new ATOM 0 HB3 PRO B 6 81.633 17.928 -18.116 1.00 0.00 H new ATOM 0 HG2 PRO B 6 79.762 18.285 -15.783 1.00 0.00 H new ATOM 0 HG3 PRO B 6 79.580 18.841 -17.435 1.00 0.00 H new ATOM 0 HD2 PRO B 6 78.259 16.622 -16.561 1.00 0.00 H new ATOM 0 HD3 PRO B 6 78.839 16.720 -18.212 1.00 0.00 H new ATOM 1041 N GLY B 7 81.462 15.142 -14.581 1.00 0.00 N ATOM 1042 CA GLY B 7 81.940 14.834 -13.230 1.00 0.00 C ATOM 1043 C GLY B 7 82.205 13.340 -13.067 1.00 0.00 C ATOM 1044 O GLY B 7 83.348 12.918 -12.885 1.00 0.00 O ATOM 0 H GLY B 7 80.591 14.676 -14.836 1.00 0.00 H new ATOM 0 HA2 GLY B 7 82.854 15.392 -13.028 1.00 0.00 H new ATOM 0 HA3 GLY B 7 81.201 15.157 -12.497 1.00 0.00 H new ATOM 1048 N VAL B 8 81.148 12.538 -13.129 1.00 0.00 N ATOM 1049 CA VAL B 8 81.294 11.095 -12.981 1.00 0.00 C ATOM 1050 C VAL B 8 82.177 10.533 -14.104 1.00 0.00 C ATOM 1051 O VAL B 8 83.155 9.817 -13.850 1.00 0.00 O ATOM 1052 CB VAL B 8 79.902 10.429 -12.992 1.00 0.00 C ATOM 1053 CG1 VAL B 8 79.323 10.393 -11.572 1.00 0.00 C ATOM 1054 CG2 VAL B 8 78.953 11.230 -13.893 1.00 0.00 C ATOM 0 H VAL B 8 80.191 12.858 -13.279 1.00 0.00 H new ATOM 0 HA VAL B 8 81.778 10.877 -12.029 1.00 0.00 H new ATOM 0 HB VAL B 8 80.005 9.412 -13.370 1.00 0.00 H new ATOM 0 HG11 VAL B 8 78.341 9.921 -11.591 1.00 0.00 H new ATOM 0 HG12 VAL B 8 79.987 9.822 -10.923 1.00 0.00 H new ATOM 0 HG13 VAL B 8 79.229 11.410 -11.191 1.00 0.00 H new ATOM 0 HG21 VAL B 8 77.971 10.757 -13.899 1.00 0.00 H new ATOM 0 HG22 VAL B 8 78.863 12.248 -13.513 1.00 0.00 H new ATOM 0 HG23 VAL B 8 79.349 11.255 -14.908 1.00 0.00 H new ATOM 1064 N LEU B 9 81.850 10.876 -15.344 1.00 0.00 N ATOM 1065 CA LEU B 9 82.645 10.408 -16.465 1.00 0.00 C ATOM 1066 C LEU B 9 84.078 10.919 -16.298 1.00 0.00 C ATOM 1067 O LEU B 9 85.056 10.199 -16.567 1.00 0.00 O ATOM 1068 CB LEU B 9 82.021 10.879 -17.782 1.00 0.00 C ATOM 1069 CG LEU B 9 80.502 10.610 -17.750 1.00 0.00 C ATOM 1070 CD1 LEU B 9 79.885 10.890 -19.125 1.00 0.00 C ATOM 1071 CD2 LEU B 9 80.234 9.146 -17.361 1.00 0.00 C ATOM 0 H LEU B 9 81.055 11.465 -15.593 1.00 0.00 H new ATOM 0 HA LEU B 9 82.666 9.318 -16.489 1.00 0.00 H new ATOM 0 HB2 LEU B 9 82.211 11.942 -17.928 1.00 0.00 H new ATOM 0 HB3 LEU B 9 82.477 10.355 -18.622 1.00 0.00 H new ATOM 0 HG LEU B 9 80.049 11.271 -17.011 1.00 0.00 H new ATOM 0 HD11 LEU B 9 78.813 10.696 -19.089 1.00 0.00 H new ATOM 0 HD12 LEU B 9 80.057 11.932 -19.395 1.00 0.00 H new ATOM 0 HD13 LEU B 9 80.346 10.241 -19.870 1.00 0.00 H new ATOM 0 HD21 LEU B 9 79.159 8.966 -17.341 1.00 0.00 H new ATOM 0 HD22 LEU B 9 80.699 8.484 -18.092 1.00 0.00 H new ATOM 0 HD23 LEU B 9 80.653 8.949 -16.374 1.00 0.00 H new ATOM 1083 N ALA B 10 84.200 12.148 -15.789 1.00 0.00 N ATOM 1084 CA ALA B 10 85.511 12.716 -15.526 1.00 0.00 C ATOM 1085 C ALA B 10 86.253 11.762 -14.588 1.00 0.00 C ATOM 1086 O ALA B 10 87.474 11.581 -14.662 1.00 0.00 O ATOM 1087 CB ALA B 10 85.370 14.098 -14.872 1.00 0.00 C ATOM 0 H ALA B 10 83.415 12.756 -15.556 1.00 0.00 H new ATOM 0 HA ALA B 10 86.064 12.840 -16.457 1.00 0.00 H new ATOM 0 HB1 ALA B 10 86.360 14.512 -14.680 1.00 0.00 H new ATOM 0 HB2 ALA B 10 84.822 14.762 -15.540 1.00 0.00 H new ATOM 0 HB3 ALA B 10 84.828 14.002 -13.931 1.00 0.00 H new ATOM 1093 N GLY B 11 85.476 11.139 -13.707 1.00 0.00 N ATOM 1094 CA GLY B 11 86.016 10.189 -12.750 1.00 0.00 C ATOM 1095 C GLY B 11 86.603 8.974 -13.460 1.00 0.00 C ATOM 1096 O GLY B 11 87.684 8.506 -13.104 1.00 0.00 O ATOM 0 H GLY B 11 84.468 11.278 -13.639 1.00 0.00 H new ATOM 0 HA2 GLY B 11 86.787 10.671 -12.149 1.00 0.00 H new ATOM 0 HA3 GLY B 11 85.230 9.870 -12.065 1.00 0.00 H new ATOM 1100 N ILE B 12 85.894 8.459 -14.467 1.00 0.00 N ATOM 1101 CA ILE B 12 86.389 7.303 -15.197 1.00 0.00 C ATOM 1102 C ILE B 12 87.757 7.605 -15.795 1.00 0.00 C ATOM 1103 O ILE B 12 88.654 6.765 -15.753 1.00 0.00 O ATOM 1104 CB ILE B 12 85.401 6.920 -16.302 1.00 0.00 C ATOM 1105 CG1 ILE B 12 84.000 6.759 -15.689 1.00 0.00 C ATOM 1106 CG2 ILE B 12 85.840 5.611 -16.988 1.00 0.00 C ATOM 1107 CD1 ILE B 12 84.011 5.721 -14.564 1.00 0.00 C ATOM 0 H ILE B 12 84.995 8.819 -14.786 1.00 0.00 H new ATOM 0 HA ILE B 12 86.488 6.465 -14.507 1.00 0.00 H new ATOM 0 HB ILE B 12 85.380 7.706 -17.057 1.00 0.00 H new ATOM 0 HG12 ILE B 12 83.656 7.718 -15.301 1.00 0.00 H new ATOM 0 HG13 ILE B 12 83.293 6.456 -16.462 1.00 0.00 H new ATOM 0 HG21 ILE B 12 85.127 5.353 -17.771 1.00 0.00 H new ATOM 0 HG22 ILE B 12 86.829 5.744 -17.428 1.00 0.00 H new ATOM 0 HG23 ILE B 12 85.876 4.808 -16.251 1.00 0.00 H new ATOM 0 HD11 ILE B 12 83.008 5.626 -14.147 1.00 0.00 H new ATOM 0 HD12 ILE B 12 84.332 4.758 -14.961 1.00 0.00 H new ATOM 0 HD13 ILE B 12 84.700 6.039 -13.782 1.00 0.00 H new ATOM 1119 N VAL B 13 87.927 8.807 -16.345 1.00 0.00 N ATOM 1120 CA VAL B 13 89.228 9.162 -16.925 1.00 0.00 C ATOM 1121 C VAL B 13 90.301 9.107 -15.837 1.00 0.00 C ATOM 1122 O VAL B 13 91.396 8.590 -16.061 1.00 0.00 O ATOM 1123 CB VAL B 13 89.191 10.555 -17.629 1.00 0.00 C ATOM 1124 CG1 VAL B 13 87.746 10.968 -17.855 1.00 0.00 C ATOM 1125 CG2 VAL B 13 89.891 11.646 -16.796 1.00 0.00 C ATOM 0 H VAL B 13 87.210 9.531 -16.403 1.00 0.00 H new ATOM 0 HA VAL B 13 89.474 8.436 -17.700 1.00 0.00 H new ATOM 0 HB VAL B 13 89.722 10.457 -18.576 1.00 0.00 H new ATOM 0 HG11 VAL B 13 87.718 11.941 -18.346 1.00 0.00 H new ATOM 0 HG12 VAL B 13 87.251 10.229 -18.485 1.00 0.00 H new ATOM 0 HG13 VAL B 13 87.231 11.031 -16.896 1.00 0.00 H new ATOM 0 HG21 VAL B 13 89.840 12.597 -17.326 1.00 0.00 H new ATOM 0 HG22 VAL B 13 89.394 11.741 -15.830 1.00 0.00 H new ATOM 0 HG23 VAL B 13 90.935 11.372 -16.642 1.00 0.00 H new ATOM 1135 N VAL B 14 89.980 9.634 -14.655 1.00 0.00 N ATOM 1136 CA VAL B 14 90.940 9.615 -13.553 1.00 0.00 C ATOM 1137 C VAL B 14 91.360 8.178 -13.254 1.00 0.00 C ATOM 1138 O VAL B 14 92.550 7.878 -13.124 1.00 0.00 O ATOM 1139 CB VAL B 14 90.322 10.245 -12.303 1.00 0.00 C ATOM 1140 CG1 VAL B 14 91.283 10.094 -11.121 1.00 0.00 C ATOM 1141 CG2 VAL B 14 90.063 11.732 -12.557 1.00 0.00 C ATOM 0 H VAL B 14 89.083 10.070 -14.439 1.00 0.00 H new ATOM 0 HA VAL B 14 91.818 10.192 -13.842 1.00 0.00 H new ATOM 0 HB VAL B 14 89.382 9.743 -12.073 1.00 0.00 H new ATOM 0 HG11 VAL B 14 90.840 10.544 -10.232 1.00 0.00 H new ATOM 0 HG12 VAL B 14 91.471 9.036 -10.937 1.00 0.00 H new ATOM 0 HG13 VAL B 14 92.224 10.595 -11.351 1.00 0.00 H new ATOM 0 HG21 VAL B 14 89.623 12.182 -11.667 1.00 0.00 H new ATOM 0 HG22 VAL B 14 91.004 12.231 -12.788 1.00 0.00 H new ATOM 0 HG23 VAL B 14 89.377 11.844 -13.397 1.00 0.00 H new ATOM 1151 N GLY B 15 90.376 7.290 -13.160 1.00 0.00 N ATOM 1152 CA GLY B 15 90.651 5.884 -12.892 1.00 0.00 C ATOM 1153 C GLY B 15 91.522 5.294 -13.993 1.00 0.00 C ATOM 1154 O GLY B 15 92.393 4.463 -13.734 1.00 0.00 O ATOM 0 H GLY B 15 89.387 7.517 -13.265 1.00 0.00 H new ATOM 0 HA2 GLY B 15 91.152 5.782 -11.929 1.00 0.00 H new ATOM 0 HA3 GLY B 15 89.715 5.330 -12.824 1.00 0.00 H new ATOM 1158 N ASP B 16 91.284 5.740 -15.222 1.00 0.00 N ATOM 1159 CA ASP B 16 92.053 5.261 -16.363 1.00 0.00 C ATOM 1160 C ASP B 16 93.520 5.645 -16.206 1.00 0.00 C ATOM 1161 O ASP B 16 94.415 4.851 -16.495 1.00 0.00 O ATOM 1162 CB ASP B 16 91.499 5.866 -17.653 1.00 0.00 C ATOM 1163 CG ASP B 16 92.079 5.143 -18.863 1.00 0.00 C ATOM 1164 OD1 ASP B 16 92.902 4.265 -18.665 1.00 0.00 O ATOM 1165 OD2 ASP B 16 91.690 5.479 -19.969 1.00 0.00 O ATOM 0 H ASP B 16 90.568 6.429 -15.452 1.00 0.00 H new ATOM 0 HA ASP B 16 91.973 4.175 -16.410 1.00 0.00 H new ATOM 0 HB2 ASP B 16 90.412 5.790 -17.661 1.00 0.00 H new ATOM 0 HB3 ASP B 16 91.745 6.927 -17.701 1.00 0.00 H new ATOM 1170 N LEU B 17 93.755 6.866 -15.739 1.00 0.00 N ATOM 1171 CA LEU B 17 95.117 7.347 -15.539 1.00 0.00 C ATOM 1172 C LEU B 17 95.829 6.477 -14.510 1.00 0.00 C ATOM 1173 O LEU B 17 96.975 6.068 -14.709 1.00 0.00 O ATOM 1174 CB LEU B 17 95.085 8.806 -15.061 1.00 0.00 C ATOM 1175 CG LEU B 17 96.496 9.287 -14.691 1.00 0.00 C ATOM 1176 CD1 LEU B 17 97.459 9.052 -15.863 1.00 0.00 C ATOM 1177 CD2 LEU B 17 96.443 10.783 -14.366 1.00 0.00 C ATOM 0 H LEU B 17 93.026 7.536 -15.493 1.00 0.00 H new ATOM 0 HA LEU B 17 95.659 7.292 -16.483 1.00 0.00 H new ATOM 0 HB2 LEU B 17 94.672 9.442 -15.845 1.00 0.00 H new ATOM 0 HB3 LEU B 17 94.426 8.897 -14.197 1.00 0.00 H new ATOM 0 HG LEU B 17 96.852 8.729 -13.825 1.00 0.00 H new ATOM 0 HD11 LEU B 17 98.456 9.397 -15.589 1.00 0.00 H new ATOM 0 HD12 LEU B 17 97.494 7.988 -16.097 1.00 0.00 H new ATOM 0 HD13 LEU B 17 97.111 9.604 -16.736 1.00 0.00 H new ATOM 0 HD21 LEU B 17 97.441 11.134 -14.102 1.00 0.00 H new ATOM 0 HD22 LEU B 17 96.084 11.332 -15.237 1.00 0.00 H new ATOM 0 HD23 LEU B 17 95.766 10.949 -13.528 1.00 0.00 H new ATOM 1189 N VAL B 18 95.141 6.194 -13.408 1.00 0.00 N ATOM 1190 CA VAL B 18 95.718 5.369 -12.354 1.00 0.00 C ATOM 1191 C VAL B 18 96.145 4.014 -12.913 1.00 0.00 C ATOM 1192 O VAL B 18 97.259 3.554 -12.663 1.00 0.00 O ATOM 1193 CB VAL B 18 94.701 5.169 -11.226 1.00 0.00 C ATOM 1194 CG1 VAL B 18 95.256 4.177 -10.200 1.00 0.00 C ATOM 1195 CG2 VAL B 18 94.436 6.511 -10.538 1.00 0.00 C ATOM 0 H VAL B 18 94.192 6.520 -13.223 1.00 0.00 H new ATOM 0 HA VAL B 18 96.596 5.878 -11.957 1.00 0.00 H new ATOM 0 HB VAL B 18 93.773 4.778 -11.643 1.00 0.00 H new ATOM 0 HG11 VAL B 18 94.530 4.037 -9.399 1.00 0.00 H new ATOM 0 HG12 VAL B 18 95.449 3.221 -10.686 1.00 0.00 H new ATOM 0 HG13 VAL B 18 96.185 4.566 -9.783 1.00 0.00 H new ATOM 0 HG21 VAL B 18 93.712 6.371 -9.735 1.00 0.00 H new ATOM 0 HG22 VAL B 18 95.367 6.898 -10.124 1.00 0.00 H new ATOM 0 HG23 VAL B 18 94.039 7.220 -11.264 1.00 0.00 H new ATOM 1205 N LEU B 19 95.257 3.377 -13.671 1.00 0.00 N ATOM 1206 CA LEU B 19 95.576 2.078 -14.251 1.00 0.00 C ATOM 1207 C LEU B 19 96.775 2.201 -15.184 1.00 0.00 C ATOM 1208 O LEU B 19 97.717 1.426 -15.089 1.00 0.00 O ATOM 1209 CB LEU B 19 94.378 1.525 -15.033 1.00 0.00 C ATOM 1210 CG LEU B 19 93.311 0.974 -14.075 1.00 0.00 C ATOM 1211 CD1 LEU B 19 92.064 0.622 -14.897 1.00 0.00 C ATOM 1212 CD2 LEU B 19 93.830 -0.290 -13.342 1.00 0.00 C ATOM 0 H LEU B 19 94.327 3.732 -13.895 1.00 0.00 H new ATOM 0 HA LEU B 19 95.815 1.392 -13.438 1.00 0.00 H new ATOM 0 HB2 LEU B 19 93.947 2.312 -15.652 1.00 0.00 H new ATOM 0 HB3 LEU B 19 94.711 0.736 -15.707 1.00 0.00 H new ATOM 0 HG LEU B 19 93.074 1.726 -13.322 1.00 0.00 H new ATOM 0 HD11 LEU B 19 91.292 0.228 -14.236 1.00 0.00 H new ATOM 0 HD12 LEU B 19 91.693 1.517 -15.396 1.00 0.00 H new ATOM 0 HD13 LEU B 19 92.321 -0.130 -15.644 1.00 0.00 H new ATOM 0 HD21 LEU B 19 93.058 -0.663 -12.669 1.00 0.00 H new ATOM 0 HD22 LEU B 19 94.076 -1.060 -14.074 1.00 0.00 H new ATOM 0 HD23 LEU B 19 94.721 -0.037 -12.767 1.00 0.00 H new ATOM 1224 N THR B 20 96.738 3.179 -16.082 1.00 0.00 N ATOM 1225 CA THR B 20 97.838 3.372 -17.021 1.00 0.00 C ATOM 1226 C THR B 20 99.177 3.304 -16.296 1.00 0.00 C ATOM 1227 O THR B 20 100.080 2.569 -16.703 1.00 0.00 O ATOM 1228 CB THR B 20 97.699 4.731 -17.716 1.00 0.00 C ATOM 1229 OG1 THR B 20 96.385 4.858 -18.240 1.00 0.00 O ATOM 1230 CG2 THR B 20 98.717 4.832 -18.852 1.00 0.00 C ATOM 0 H THR B 20 95.970 3.843 -16.180 1.00 0.00 H new ATOM 0 HA THR B 20 97.800 2.577 -17.766 1.00 0.00 H new ATOM 0 HB THR B 20 97.883 5.529 -16.997 1.00 0.00 H new ATOM 0 HG1 THR B 20 95.794 5.234 -17.554 1.00 0.00 H new ATOM 0 HG21 THR B 20 98.617 5.799 -19.345 1.00 0.00 H new ATOM 0 HG22 THR B 20 99.724 4.733 -18.448 1.00 0.00 H new ATOM 0 HG23 THR B 20 98.536 4.036 -19.574 1.00 0.00 H new ATOM 1238 N VAL B 21 99.296 4.063 -15.212 1.00 0.00 N ATOM 1239 CA VAL B 21 100.529 4.071 -14.434 1.00 0.00 C ATOM 1240 C VAL B 21 100.758 2.709 -13.780 1.00 0.00 C ATOM 1241 O VAL B 21 101.900 2.291 -13.580 1.00 0.00 O ATOM 1242 CB VAL B 21 100.459 5.154 -13.353 1.00 0.00 C ATOM 1243 CG1 VAL B 21 101.720 5.100 -12.490 1.00 0.00 C ATOM 1244 CG2 VAL B 21 100.356 6.529 -14.016 1.00 0.00 C ATOM 0 H VAL B 21 98.562 4.675 -14.855 1.00 0.00 H new ATOM 0 HA VAL B 21 101.360 4.284 -15.106 1.00 0.00 H new ATOM 0 HB VAL B 21 99.583 4.984 -12.727 1.00 0.00 H new ATOM 0 HG11 VAL B 21 101.668 5.871 -11.722 1.00 0.00 H new ATOM 0 HG12 VAL B 21 101.795 4.121 -12.017 1.00 0.00 H new ATOM 0 HG13 VAL B 21 102.596 5.269 -13.115 1.00 0.00 H new ATOM 0 HG21 VAL B 21 100.306 7.301 -13.248 1.00 0.00 H new ATOM 0 HG22 VAL B 21 101.232 6.697 -14.643 1.00 0.00 H new ATOM 0 HG23 VAL B 21 99.457 6.570 -14.630 1.00 0.00 H new ATOM 1254 N LEU B 22 99.668 2.028 -13.438 1.00 0.00 N ATOM 1255 CA LEU B 22 99.761 0.720 -12.793 1.00 0.00 C ATOM 1256 C LEU B 22 100.364 -0.328 -13.734 1.00 0.00 C ATOM 1257 O LEU B 22 101.315 -1.020 -13.373 1.00 0.00 O ATOM 1258 CB LEU B 22 98.367 0.274 -12.338 1.00 0.00 C ATOM 1259 CG LEU B 22 98.475 -0.829 -11.270 1.00 0.00 C ATOM 1260 CD1 LEU B 22 99.074 -0.269 -9.960 1.00 0.00 C ATOM 1261 CD2 LEU B 22 97.072 -1.394 -10.998 1.00 0.00 C ATOM 0 H LEU B 22 98.715 2.357 -13.595 1.00 0.00 H new ATOM 0 HA LEU B 22 100.420 0.811 -11.930 1.00 0.00 H new ATOM 0 HB2 LEU B 22 97.820 1.126 -11.935 1.00 0.00 H new ATOM 0 HB3 LEU B 22 97.799 -0.094 -13.193 1.00 0.00 H new ATOM 0 HG LEU B 22 99.134 -1.616 -11.636 1.00 0.00 H new ATOM 0 HD11 LEU B 22 99.141 -1.067 -9.220 1.00 0.00 H new ATOM 0 HD12 LEU B 22 100.070 0.128 -10.156 1.00 0.00 H new ATOM 0 HD13 LEU B 22 98.434 0.527 -9.579 1.00 0.00 H new ATOM 0 HD21 LEU B 22 97.135 -2.177 -10.242 1.00 0.00 H new ATOM 0 HD22 LEU B 22 96.422 -0.596 -10.640 1.00 0.00 H new ATOM 0 HD23 LEU B 22 96.663 -1.810 -11.918 1.00 0.00 H new ATOM 1273 N ILE B 23 99.810 -0.445 -14.939 1.00 0.00 N ATOM 1274 CA ILE B 23 100.315 -1.416 -15.904 1.00 0.00 C ATOM 1275 C ILE B 23 101.767 -1.102 -16.246 1.00 0.00 C ATOM 1276 O ILE B 23 102.633 -1.975 -16.178 1.00 0.00 O ATOM 1277 CB ILE B 23 99.468 -1.393 -17.183 1.00 0.00 C ATOM 1278 CG1 ILE B 23 97.977 -1.448 -16.832 1.00 0.00 C ATOM 1279 CG2 ILE B 23 99.821 -2.599 -18.058 1.00 0.00 C ATOM 1280 CD1 ILE B 23 97.700 -2.614 -15.877 1.00 0.00 C ATOM 0 H ILE B 23 99.022 0.113 -15.267 1.00 0.00 H new ATOM 0 HA ILE B 23 100.254 -2.409 -15.459 1.00 0.00 H new ATOM 0 HB ILE B 23 99.677 -0.470 -17.724 1.00 0.00 H new ATOM 0 HG12 ILE B 23 97.670 -0.510 -16.370 1.00 0.00 H new ATOM 0 HG13 ILE B 23 97.386 -1.565 -17.741 1.00 0.00 H new ATOM 0 HG21 ILE B 23 99.217 -2.579 -18.965 1.00 0.00 H new ATOM 0 HG22 ILE B 23 100.877 -2.559 -18.324 1.00 0.00 H new ATOM 0 HG23 ILE B 23 99.620 -3.519 -17.508 1.00 0.00 H new ATOM 0 HD11 ILE B 23 96.637 -2.642 -15.635 1.00 0.00 H new ATOM 0 HD12 ILE B 23 97.989 -3.551 -16.353 1.00 0.00 H new ATOM 0 HD13 ILE B 23 98.277 -2.480 -14.962 1.00 0.00 H new ATOM 1292 N ALA B 24 102.033 0.152 -16.601 1.00 0.00 N ATOM 1293 CA ALA B 24 103.392 0.558 -16.932 1.00 0.00 C ATOM 1294 C ALA B 24 104.341 0.131 -15.818 1.00 0.00 C ATOM 1295 O ALA B 24 105.421 -0.408 -16.071 1.00 0.00 O ATOM 1296 CB ALA B 24 103.459 2.076 -17.113 1.00 0.00 C ATOM 0 H ALA B 24 101.336 0.894 -16.666 1.00 0.00 H new ATOM 0 HA ALA B 24 103.688 0.077 -17.864 1.00 0.00 H new ATOM 0 HB1 ALA B 24 104.480 2.368 -17.360 1.00 0.00 H new ATOM 0 HB2 ALA B 24 102.790 2.376 -17.920 1.00 0.00 H new ATOM 0 HB3 ALA B 24 103.155 2.566 -16.188 1.00 0.00 H new ATOM 1302 N LEU B 25 103.920 0.361 -14.578 1.00 0.00 N ATOM 1303 CA LEU B 25 104.731 -0.019 -13.432 1.00 0.00 C ATOM 1304 C LEU B 25 104.982 -1.522 -13.463 1.00 0.00 C ATOM 1305 O LEU B 25 106.076 -1.987 -13.141 1.00 0.00 O ATOM 1306 CB LEU B 25 104.013 0.369 -12.133 1.00 0.00 C ATOM 1307 CG LEU B 25 104.877 0.014 -10.913 1.00 0.00 C ATOM 1308 CD1 LEU B 25 106.193 0.811 -10.939 1.00 0.00 C ATOM 1309 CD2 LEU B 25 104.093 0.352 -9.639 1.00 0.00 C ATOM 0 H LEU B 25 103.031 0.804 -14.345 1.00 0.00 H new ATOM 0 HA LEU B 25 105.686 0.505 -13.475 1.00 0.00 H new ATOM 0 HB2 LEU B 25 103.798 1.438 -12.135 1.00 0.00 H new ATOM 0 HB3 LEU B 25 103.056 -0.149 -12.071 1.00 0.00 H new ATOM 0 HG LEU B 25 105.116 -1.049 -10.935 1.00 0.00 H new ATOM 0 HD11 LEU B 25 106.794 0.549 -10.069 1.00 0.00 H new ATOM 0 HD12 LEU B 25 106.746 0.571 -11.847 1.00 0.00 H new ATOM 0 HD13 LEU B 25 105.972 1.878 -10.919 1.00 0.00 H new ATOM 0 HD21 LEU B 25 104.695 0.105 -8.765 1.00 0.00 H new ATOM 0 HD22 LEU B 25 103.858 1.416 -9.628 1.00 0.00 H new ATOM 0 HD23 LEU B 25 103.168 -0.224 -9.617 1.00 0.00 H new ATOM 1321 N ALA B 26 103.962 -2.275 -13.864 1.00 0.00 N ATOM 1322 CA ALA B 26 104.081 -3.724 -13.946 1.00 0.00 C ATOM 1323 C ALA B 26 105.149 -4.105 -14.966 1.00 0.00 C ATOM 1324 O ALA B 26 105.917 -5.044 -14.753 1.00 0.00 O ATOM 1325 CB ALA B 26 102.740 -4.342 -14.348 1.00 0.00 C ATOM 0 H ALA B 26 103.050 -1.907 -14.135 1.00 0.00 H new ATOM 0 HA ALA B 26 104.369 -4.106 -12.967 1.00 0.00 H new ATOM 0 HB1 ALA B 26 102.842 -5.426 -14.406 1.00 0.00 H new ATOM 0 HB2 ALA B 26 101.985 -4.088 -13.604 1.00 0.00 H new ATOM 0 HB3 ALA B 26 102.437 -3.953 -15.320 1.00 0.00 H new ATOM 1331 N VAL B 27 105.199 -3.368 -16.072 1.00 0.00 N ATOM 1332 CA VAL B 27 106.186 -3.638 -17.109 1.00 0.00 C ATOM 1333 C VAL B 27 107.591 -3.480 -16.544 1.00 0.00 C ATOM 1334 O VAL B 27 108.459 -4.324 -16.764 1.00 0.00 O ATOM 1335 CB VAL B 27 105.996 -2.682 -18.288 1.00 0.00 C ATOM 1336 CG1 VAL B 27 107.080 -2.941 -19.336 1.00 0.00 C ATOM 1337 CG2 VAL B 27 104.619 -2.912 -18.915 1.00 0.00 C ATOM 0 H VAL B 27 104.574 -2.587 -16.271 1.00 0.00 H new ATOM 0 HA VAL B 27 106.050 -4.661 -17.459 1.00 0.00 H new ATOM 0 HB VAL B 27 106.069 -1.653 -17.935 1.00 0.00 H new ATOM 0 HG11 VAL B 27 106.944 -2.260 -20.176 1.00 0.00 H new ATOM 0 HG12 VAL B 27 108.062 -2.778 -18.892 1.00 0.00 H new ATOM 0 HG13 VAL B 27 107.007 -3.970 -19.688 1.00 0.00 H new ATOM 0 HG21 VAL B 27 104.483 -2.231 -19.755 1.00 0.00 H new ATOM 0 HG22 VAL B 27 104.547 -3.941 -19.267 1.00 0.00 H new ATOM 0 HG23 VAL B 27 103.845 -2.728 -18.170 1.00 0.00 H new ATOM 1347 N TYR B 28 107.805 -2.393 -15.807 1.00 0.00 N ATOM 1348 CA TYR B 28 109.111 -2.141 -15.207 1.00 0.00 C ATOM 1349 C TYR B 28 109.474 -3.268 -14.245 1.00 0.00 C ATOM 1350 O TYR B 28 110.615 -3.729 -14.214 1.00 0.00 O ATOM 1351 CB TYR B 28 109.094 -0.809 -14.453 1.00 0.00 C ATOM 1352 CG TYR B 28 110.496 -0.466 -14.008 1.00 0.00 C ATOM 1353 CD1 TYR B 28 111.390 0.127 -14.908 1.00 0.00 C ATOM 1354 CD2 TYR B 28 110.902 -0.741 -12.696 1.00 0.00 C ATOM 1355 CE1 TYR B 28 112.689 0.446 -14.496 1.00 0.00 C ATOM 1356 CE2 TYR B 28 112.202 -0.422 -12.285 1.00 0.00 C ATOM 1357 CZ TYR B 28 113.096 0.170 -13.185 1.00 0.00 C ATOM 1358 OH TYR B 28 114.376 0.484 -12.780 1.00 0.00 O ATOM 0 H TYR B 28 107.101 -1.681 -15.613 1.00 0.00 H new ATOM 0 HA TYR B 28 109.856 -2.095 -16.001 1.00 0.00 H new ATOM 0 HB2 TYR B 28 108.701 -0.020 -15.095 1.00 0.00 H new ATOM 0 HB3 TYR B 28 108.433 -0.876 -13.589 1.00 0.00 H new ATOM 0 HD1 TYR B 28 111.077 0.338 -15.920 1.00 0.00 H new ATOM 0 HD2 TYR B 28 110.213 -1.199 -12.002 1.00 0.00 H new ATOM 0 HE1 TYR B 28 113.378 0.905 -15.190 1.00 0.00 H new ATOM 0 HE2 TYR B 28 112.515 -0.633 -11.273 1.00 0.00 H new ATOM 0 HH TYR B 28 114.494 0.228 -11.841 1.00 0.00 H new ATOM 1368 N PHE B 29 108.492 -3.709 -13.467 1.00 0.00 N ATOM 1369 CA PHE B 29 108.707 -4.786 -12.507 1.00 0.00 C ATOM 1370 C PHE B 29 109.206 -6.041 -13.218 1.00 0.00 C ATOM 1371 O PHE B 29 110.201 -6.642 -12.812 1.00 0.00 O ATOM 1372 CB PHE B 29 107.392 -5.082 -11.777 1.00 0.00 C ATOM 1373 CG PHE B 29 107.532 -6.334 -10.933 1.00 0.00 C ATOM 1374 CD1 PHE B 29 108.488 -6.386 -9.911 1.00 0.00 C ATOM 1375 CD2 PHE B 29 106.703 -7.440 -11.173 1.00 0.00 C ATOM 1376 CE1 PHE B 29 108.616 -7.542 -9.131 1.00 0.00 C ATOM 1377 CE2 PHE B 29 106.832 -8.594 -10.393 1.00 0.00 C ATOM 1378 CZ PHE B 29 107.789 -8.646 -9.372 1.00 0.00 C ATOM 0 H PHE B 29 107.542 -3.339 -13.482 1.00 0.00 H new ATOM 0 HA PHE B 29 109.463 -4.477 -11.785 1.00 0.00 H new ATOM 0 HB2 PHE B 29 107.120 -4.237 -11.145 1.00 0.00 H new ATOM 0 HB3 PHE B 29 106.587 -5.210 -12.500 1.00 0.00 H new ATOM 0 HD1 PHE B 29 109.126 -5.535 -9.724 1.00 0.00 H new ATOM 0 HD2 PHE B 29 105.965 -7.400 -11.960 1.00 0.00 H new ATOM 0 HE1 PHE B 29 109.353 -7.582 -8.343 1.00 0.00 H new ATOM 0 HE2 PHE B 29 106.193 -9.445 -10.578 1.00 0.00 H new ATOM 0 HZ PHE B 29 107.889 -9.537 -8.771 1.00 0.00 H new ATOM 1388 N LEU B 30 108.509 -6.431 -14.279 1.00 0.00 N ATOM 1389 CA LEU B 30 108.891 -7.615 -15.038 1.00 0.00 C ATOM 1390 C LEU B 30 110.264 -7.420 -15.672 1.00 0.00 C ATOM 1391 O LEU B 30 111.074 -8.347 -15.719 1.00 0.00 O ATOM 1392 CB LEU B 30 107.852 -7.889 -16.134 1.00 0.00 C ATOM 1393 CG LEU B 30 106.502 -8.280 -15.497 1.00 0.00 C ATOM 1394 CD1 LEU B 30 105.363 -7.987 -16.479 1.00 0.00 C ATOM 1395 CD2 LEU B 30 106.486 -9.777 -15.154 1.00 0.00 C ATOM 0 H LEU B 30 107.682 -5.948 -14.631 1.00 0.00 H new ATOM 0 HA LEU B 30 108.934 -8.466 -14.358 1.00 0.00 H new ATOM 0 HB2 LEU B 30 107.726 -7.003 -16.757 1.00 0.00 H new ATOM 0 HB3 LEU B 30 108.201 -8.690 -16.786 1.00 0.00 H new ATOM 0 HG LEU B 30 106.369 -7.698 -14.585 1.00 0.00 H new ATOM 0 HD11 LEU B 30 104.411 -8.264 -16.026 1.00 0.00 H new ATOM 0 HD12 LEU B 30 105.354 -6.924 -16.719 1.00 0.00 H new ATOM 0 HD13 LEU B 30 105.512 -8.564 -17.392 1.00 0.00 H new ATOM 0 HD21 LEU B 30 105.527 -10.037 -14.705 1.00 0.00 H new ATOM 0 HD22 LEU B 30 106.632 -10.360 -16.063 1.00 0.00 H new ATOM 0 HD23 LEU B 30 107.288 -9.997 -14.449 1.00 0.00 H new