USER MOD reduce.3.24.130724 H: found=0, std=0, add=335, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 339 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 17 SER OG : rot 75:sc= 1.05 USER MOD Single : A 19 THR OG1 : rot 91:sc= -0.803! USER MOD Single : A 21 MET CE :methyl -165:sc= -0.0358 (180deg=-0.337) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 166:sc=-0.00891 (180deg=-0.238) USER MOD Single : A 36 THR OG1 : rot -150:sc= -1.36 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 130:sc= 1.06! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 CA PRO A 6 -19.467 -43.756 30.519 1.00 0.00 C ATOM 2 C PRO A 6 -18.419 -44.087 29.468 1.00 0.00 C ATOM 3 O PRO A 6 -18.241 -43.350 28.501 1.00 0.00 O ATOM 5 N ALA A 7 -17.730 -45.206 29.675 1.00 0.00 N ATOM 6 CA ALA A 7 -16.690 -45.663 28.759 1.00 0.00 C ATOM 7 C ALA A 7 -17.304 -46.148 27.456 1.00 0.00 C ATOM 8 O ALA A 7 -16.751 -45.933 26.380 1.00 0.00 O ATOM 9 CB ALA A 7 -15.905 -46.809 29.378 1.00 0.00 C ATOM 0 H ALA A 7 -17.876 -45.818 30.478 1.00 0.00 H new ATOM 0 HA ALA A 7 -16.025 -44.822 28.563 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -15.133 -47.139 28.683 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -15.439 -46.472 30.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -16.579 -47.638 29.591 1.00 0.00 H new ATOM 15 N LYS A 8 -18.455 -46.806 27.573 1.00 0.00 N ATOM 16 CA LYS A 8 -19.170 -47.336 26.416 1.00 0.00 C ATOM 17 C LYS A 8 -19.357 -46.256 25.364 1.00 0.00 C ATOM 18 O LYS A 8 -19.145 -46.488 24.176 1.00 0.00 O ATOM 19 CB LYS A 8 -20.550 -47.852 26.829 1.00 0.00 C ATOM 20 CG LYS A 8 -21.342 -48.483 25.695 1.00 0.00 C ATOM 21 CD LYS A 8 -22.675 -49.022 26.186 1.00 0.00 C ATOM 22 CE LYS A 8 -23.473 -49.640 25.050 1.00 0.00 C ATOM 23 NZ LYS A 8 -24.777 -50.184 25.519 1.00 0.00 N ATOM 0 H LYS A 8 -18.915 -46.986 28.465 1.00 0.00 H new ATOM 0 HA LYS A 8 -18.577 -48.153 26.006 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -20.428 -48.586 27.625 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -21.126 -47.025 27.244 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.512 -47.744 24.912 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.762 -49.291 25.249 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -22.504 -49.769 26.962 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -23.250 -48.216 26.641 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -23.649 -48.889 24.280 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -22.891 -50.439 24.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -25.291 -50.597 24.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -24.609 -50.919 26.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -25.344 -49.417 25.935 1.00 0.00 H new ATOM 37 N ALA A 9 -19.757 -45.073 25.820 1.00 0.00 N ATOM 38 CA ALA A 9 -19.982 -43.932 24.937 1.00 0.00 C ATOM 39 C ALA A 9 -18.658 -43.378 24.436 1.00 0.00 C ATOM 40 O ALA A 9 -18.561 -42.902 23.307 1.00 0.00 O ATOM 41 CB ALA A 9 -20.718 -42.826 25.677 1.00 0.00 C ATOM 0 H ALA A 9 -19.934 -44.878 26.806 1.00 0.00 H new ATOM 0 HA ALA A 9 -20.581 -44.276 24.094 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -20.878 -41.983 25.005 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -21.681 -43.200 26.026 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.124 -42.502 26.531 1.00 0.00 H new ATOM 47 N ALA A 10 -17.644 -43.448 25.292 1.00 0.00 N ATOM 48 CA ALA A 10 -16.309 -42.960 24.962 1.00 0.00 C ATOM 49 C ALA A 10 -15.676 -43.824 23.884 1.00 0.00 C ATOM 50 O ALA A 10 -15.124 -43.316 22.911 1.00 0.00 O ATOM 51 CB ALA A 10 -15.414 -42.992 26.191 1.00 0.00 C ATOM 0 H ALA A 10 -17.723 -43.842 26.229 1.00 0.00 H new ATOM 0 HA ALA A 10 -16.409 -41.936 24.602 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -14.422 -42.625 25.928 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -15.841 -42.359 26.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -15.337 -44.015 26.558 1.00 0.00 H new ATOM 57 N PHE A 11 -15.768 -45.138 24.073 1.00 0.00 N ATOM 58 CA PHE A 11 -15.212 -46.103 23.129 1.00 0.00 C ATOM 59 C PHE A 11 -16.064 -46.169 21.873 1.00 0.00 C ATOM 60 O PHE A 11 -15.545 -46.213 20.759 1.00 0.00 O ATOM 61 CB PHE A 11 -15.164 -47.498 23.755 1.00 0.00 C ATOM 62 CG PHE A 11 -14.565 -48.544 22.859 1.00 0.00 C ATOM 63 CD1 PHE A 11 -13.194 -48.632 22.693 1.00 0.00 C ATOM 64 CD2 PHE A 11 -15.373 -49.441 22.181 1.00 0.00 C ATOM 65 CE1 PHE A 11 -12.643 -49.594 21.868 1.00 0.00 C ATOM 66 CE2 PHE A 11 -14.822 -50.404 21.357 1.00 0.00 C ATOM 67 CZ PHE A 11 -13.463 -50.482 21.199 1.00 0.00 C ATOM 0 H PHE A 11 -16.227 -45.562 24.879 1.00 0.00 H new ATOM 0 HA PHE A 11 -14.203 -45.777 22.875 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.588 -47.452 24.679 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -16.176 -47.800 24.025 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.548 -47.941 23.214 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.445 -49.388 22.297 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.571 -49.652 21.746 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.465 -51.098 20.836 1.00 0.00 H new ATOM 0 HZ PHE A 11 -13.035 -51.235 20.554 1.00 0.00 H new ATOM 77 N ASP A 12 -17.379 -46.176 22.071 1.00 0.00 N ATOM 78 CA ASP A 12 -18.335 -46.238 20.968 1.00 0.00 C ATOM 79 C ASP A 12 -18.377 -44.912 20.226 1.00 0.00 C ATOM 80 O ASP A 12 -18.489 -44.877 19.003 1.00 0.00 O ATOM 81 CB ASP A 12 -19.739 -46.544 21.493 1.00 0.00 C ATOM 82 CG ASP A 12 -20.728 -46.829 20.379 1.00 0.00 C ATOM 83 OD1 ASP A 12 -20.464 -47.744 19.571 1.00 0.00 O ATOM 84 OD2 ASP A 12 -21.766 -46.138 20.315 1.00 0.00 O ATOM 0 H ASP A 12 -17.811 -46.139 22.994 1.00 0.00 H new ATOM 0 HA ASP A 12 -18.013 -47.030 20.292 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -19.694 -47.403 22.162 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -20.095 -45.699 22.083 1.00 0.00 H new ATOM 90 N SER A 13 -18.285 -43.824 20.986 1.00 0.00 N ATOM 91 CA SER A 13 -18.310 -42.476 20.427 1.00 0.00 C ATOM 92 C SER A 13 -17.091 -42.242 19.549 1.00 0.00 C ATOM 93 O SER A 13 -17.200 -41.707 18.447 1.00 0.00 O ATOM 94 CB SER A 13 -18.309 -41.432 21.545 1.00 0.00 C ATOM 95 OG SER A 13 -18.333 -40.118 21.016 1.00 0.00 O ATOM 0 H SER A 13 -18.192 -43.851 22.001 1.00 0.00 H new ATOM 0 HA SER A 13 -19.218 -42.379 19.832 1.00 0.00 H new ATOM 0 HB2 SER A 13 -19.175 -41.584 22.189 1.00 0.00 H new ATOM 0 HB3 SER A 13 -17.423 -41.561 22.166 1.00 0.00 H new ATOM 0 HG SER A 13 -18.333 -39.470 21.751 1.00 0.00 H new ATOM 101 N LEU A 14 -15.931 -42.652 20.054 1.00 0.00 N ATOM 102 CA LEU A 14 -14.669 -42.500 19.335 1.00 0.00 C ATOM 103 C LEU A 14 -14.672 -43.341 18.070 1.00 0.00 C ATOM 104 O LEU A 14 -14.319 -42.865 16.994 1.00 0.00 O ATOM 105 CB LEU A 14 -13.496 -42.948 20.210 1.00 0.00 C ATOM 106 CG LEU A 14 -12.103 -42.824 19.591 1.00 0.00 C ATOM 107 CD1 LEU A 14 -11.771 -41.368 19.302 1.00 0.00 C ATOM 108 CD2 LEU A 14 -11.045 -43.374 20.535 1.00 0.00 C ATOM 0 H LEU A 14 -15.839 -43.096 20.967 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.558 -41.446 19.079 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.514 -42.365 21.131 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.655 -43.990 20.488 1.00 0.00 H new ATOM 0 HG LEU A 14 -12.106 -43.396 18.663 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.776 -41.302 18.862 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.503 -40.959 18.606 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.796 -40.798 20.231 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.061 -43.276 20.076 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.066 -42.815 21.470 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.248 -44.426 20.736 1.00 0.00 H new ATOM 120 N GLN A 15 -15.077 -44.601 18.219 1.00 0.00 N ATOM 121 CA GLN A 15 -15.136 -45.538 17.101 1.00 0.00 C ATOM 122 C GLN A 15 -15.977 -44.967 15.971 1.00 0.00 C ATOM 123 O GLN A 15 -15.629 -45.094 14.799 1.00 0.00 O ATOM 124 CB GLN A 15 -15.759 -46.863 17.545 1.00 0.00 C ATOM 125 CG GLN A 15 -15.784 -47.930 16.463 1.00 0.00 C ATOM 126 CD GLN A 15 -16.347 -49.248 16.957 1.00 0.00 C ATOM 127 OE1 GLN A 15 -16.740 -49.370 18.117 1.00 0.00 O ATOM 128 NE2 GLN A 15 -16.388 -50.241 16.076 1.00 0.00 N ATOM 0 H GLN A 15 -15.371 -44.998 19.111 1.00 0.00 H new ATOM 0 HA GLN A 15 -14.116 -45.706 16.755 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -15.205 -47.244 18.403 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -16.779 -46.678 17.881 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -16.381 -47.576 15.623 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.772 -48.088 16.090 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.051 -50.093 15.125 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.757 -51.152 16.351 1.00 0.00 H new ATOM 137 N ALA A 16 -17.088 -44.337 16.345 1.00 0.00 N ATOM 138 CA ALA A 16 -18.003 -43.733 15.380 1.00 0.00 C ATOM 139 C ALA A 16 -17.396 -42.473 14.787 1.00 0.00 C ATOM 140 O ALA A 16 -17.389 -42.287 13.572 1.00 0.00 O ATOM 141 CB ALA A 16 -19.316 -43.364 16.053 1.00 0.00 C ATOM 0 H ALA A 16 -17.378 -44.231 17.317 1.00 0.00 H new ATOM 0 HA ALA A 16 -18.183 -44.462 14.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.987 -42.915 15.320 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.778 -44.261 16.466 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.126 -42.651 16.855 1.00 0.00 H new ATOM 147 N SER A 17 -16.888 -41.612 15.664 1.00 0.00 N ATOM 148 CA SER A 17 -16.268 -40.354 15.255 1.00 0.00 C ATOM 149 C SER A 17 -15.134 -40.613 14.278 1.00 0.00 C ATOM 150 O SER A 17 -15.107 -40.058 13.182 1.00 0.00 O ATOM 151 CB SER A 17 -15.701 -39.616 16.470 1.00 0.00 C ATOM 152 OG SER A 17 -16.736 -39.204 17.345 1.00 0.00 O ATOM 0 H SER A 17 -16.894 -41.764 16.673 1.00 0.00 H new ATOM 0 HA SER A 17 -17.036 -39.745 14.778 1.00 0.00 H new ATOM 0 HB2 SER A 17 -15.007 -40.266 17.003 1.00 0.00 H new ATOM 0 HB3 SER A 17 -15.133 -38.747 16.139 1.00 0.00 H new ATOM 0 HG SER A 17 -17.071 -39.979 17.843 1.00 0.00 H new ATOM 158 N ALA A 18 -14.201 -41.466 14.691 1.00 0.00 N ATOM 159 CA ALA A 18 -13.048 -41.821 13.870 1.00 0.00 C ATOM 160 C ALA A 18 -13.480 -42.667 12.684 1.00 0.00 C ATOM 161 O ALA A 18 -12.862 -42.626 11.622 1.00 0.00 O ATOM 162 CB ALA A 18 -12.040 -42.615 14.687 1.00 0.00 C ATOM 0 H ALA A 18 -14.222 -41.929 15.600 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.592 -40.896 13.517 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.186 -42.872 14.061 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -11.703 -42.015 15.532 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.508 -43.528 15.055 1.00 0.00 H new ATOM 168 N THR A 19 -14.548 -43.435 12.883 1.00 0.00 N ATOM 169 CA THR A 19 -15.087 -44.306 11.844 1.00 0.00 C ATOM 170 C THR A 19 -15.820 -43.489 10.792 1.00 0.00 C ATOM 171 O THR A 19 -15.556 -43.614 9.598 1.00 0.00 O ATOM 172 CB THR A 19 -16.080 -45.330 12.425 1.00 0.00 C ATOM 173 OG1 THR A 19 -15.406 -46.170 13.371 1.00 0.00 O ATOM 174 CG2 THR A 19 -16.657 -46.199 11.318 1.00 0.00 C ATOM 0 H THR A 19 -15.061 -43.471 13.764 1.00 0.00 H new ATOM 0 HA THR A 19 -14.241 -44.830 11.400 1.00 0.00 H new ATOM 0 HB THR A 19 -16.889 -44.788 12.915 1.00 0.00 H new ATOM 0 HG1 THR A 19 -15.471 -45.774 14.265 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.357 -46.917 11.746 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.179 -45.570 10.596 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.850 -46.734 10.817 1.00 0.00 H new ATOM 182 N GLU A 20 -16.744 -42.652 11.256 1.00 0.00 N ATOM 183 CA GLU A 20 -17.536 -41.797 10.375 1.00 0.00 C ATOM 184 C GLU A 20 -16.638 -40.827 9.627 1.00 0.00 C ATOM 185 O GLU A 20 -16.814 -40.595 8.434 1.00 0.00 O ATOM 186 CB GLU A 20 -18.552 -40.989 11.184 1.00 0.00 C ATOM 187 CG GLU A 20 -19.672 -41.824 11.785 1.00 0.00 C ATOM 188 CD GLU A 20 -20.628 -40.998 12.623 1.00 0.00 C ATOM 189 OE1 GLU A 20 -20.387 -39.782 12.776 1.00 0.00 O ATOM 190 OE2 GLU A 20 -21.619 -41.568 13.127 1.00 0.00 O ATOM 0 H GLU A 20 -16.964 -42.547 12.246 1.00 0.00 H new ATOM 0 HA GLU A 20 -18.056 -42.442 9.666 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -18.030 -40.469 11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -18.988 -40.225 10.540 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -20.226 -42.313 10.984 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -19.242 -42.613 12.402 1.00 0.00 H new ATOM 198 N MET A 21 -15.672 -40.265 10.349 1.00 0.00 N ATOM 199 CA MET A 21 -14.725 -39.312 9.777 1.00 0.00 C ATOM 200 C MET A 21 -13.863 -39.984 8.721 1.00 0.00 C ATOM 201 O MET A 21 -13.540 -39.386 7.697 1.00 0.00 O ATOM 202 CB MET A 21 -13.806 -38.751 10.864 1.00 0.00 C ATOM 203 CG MET A 21 -14.505 -37.834 11.855 1.00 0.00 C ATOM 204 SD MET A 21 -15.203 -36.367 11.071 1.00 0.00 S ATOM 205 CE MET A 21 -13.712 -35.497 10.592 1.00 0.00 C ATOM 0 H MET A 21 -15.524 -40.456 11.340 1.00 0.00 H new ATOM 0 HA MET A 21 -15.301 -38.504 9.325 1.00 0.00 H new ATOM 0 HB2 MET A 21 -13.356 -39.581 11.408 1.00 0.00 H new ATOM 0 HB3 MET A 21 -12.992 -38.203 10.389 1.00 0.00 H new ATOM 0 HG2 MET A 21 -15.300 -38.386 12.357 1.00 0.00 H new ATOM 0 HG3 MET A 21 -13.795 -37.528 12.624 1.00 0.00 H new ATOM 0 HE1 MET A 21 -13.958 -34.465 10.341 1.00 0.00 H new ATOM 0 HE2 MET A 21 -13.002 -35.510 11.419 1.00 0.00 H new ATOM 0 HE3 MET A 21 -13.268 -35.986 9.725 1.00 0.00 H new ATOM 215 N ILE A 22 -13.498 -41.234 8.988 1.00 0.00 N ATOM 216 CA ILE A 22 -12.670 -42.017 8.075 1.00 0.00 C ATOM 217 C ILE A 22 -13.332 -42.118 6.711 1.00 0.00 C ATOM 218 O ILE A 22 -12.657 -42.175 5.685 1.00 0.00 O ATOM 219 CB ILE A 22 -12.448 -43.447 8.601 1.00 0.00 C ATOM 220 CG1 ILE A 22 -11.307 -44.124 7.838 1.00 0.00 C ATOM 221 CG2 ILE A 22 -13.707 -44.281 8.424 1.00 0.00 C ATOM 222 CD1 ILE A 22 -10.820 -45.406 8.479 1.00 0.00 C ATOM 0 H ILE A 22 -13.765 -41.731 9.838 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.711 -41.504 7.998 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.197 -43.378 9.660 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.639 -44.340 6.823 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -10.472 -43.428 7.759 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.532 -45.289 8.801 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.527 -43.824 8.978 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.966 -44.329 7.366 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.012 -45.827 7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.456 -45.195 9.484 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.641 -46.121 8.533 1.00 0.00 H new ATOM 234 N GLY A 23 -14.662 -42.139 6.717 1.00 0.00 N ATOM 235 CA GLY A 23 -15.447 -42.233 5.490 1.00 0.00 C ATOM 236 C GLY A 23 -15.376 -40.929 4.711 1.00 0.00 C ATOM 237 O GLY A 23 -15.411 -40.926 3.483 1.00 0.00 O ATOM 0 H GLY A 23 -15.223 -42.092 7.567 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.074 -43.052 4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.485 -42.463 5.732 1.00 0.00 H new ATOM 241 N TYR A 24 -15.276 -39.826 5.446 1.00 0.00 N ATOM 242 CA TYR A 24 -15.198 -38.495 4.850 1.00 0.00 C ATOM 243 C TYR A 24 -13.914 -38.343 4.054 1.00 0.00 C ATOM 244 O TYR A 24 -13.925 -37.859 2.924 1.00 0.00 O ATOM 245 CB TYR A 24 -15.223 -37.419 5.937 1.00 0.00 C ATOM 246 CG TYR A 24 -16.585 -37.207 6.559 1.00 0.00 C ATOM 247 CD1 TYR A 24 -17.534 -36.407 5.936 1.00 0.00 C ATOM 248 CD2 TYR A 24 -16.917 -37.809 7.766 1.00 0.00 C ATOM 249 CE1 TYR A 24 -18.782 -36.208 6.497 1.00 0.00 C ATOM 250 CE2 TYR A 24 -18.160 -37.621 8.341 1.00 0.00 C ATOM 251 CZ TYR A 24 -19.089 -36.824 7.709 1.00 0.00 C ATOM 252 OH TYR A 24 -20.327 -36.635 8.280 1.00 0.00 O ATOM 0 H TYR A 24 -15.247 -39.828 6.466 1.00 0.00 H new ATOM 0 HA TYR A 24 -16.058 -38.375 4.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -14.515 -37.691 6.720 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.879 -36.477 5.510 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -17.293 -35.932 4.997 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -16.191 -38.435 8.264 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -19.510 -35.583 6.002 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -18.401 -38.096 9.280 1.00 0.00 H new ATOM 0 HH TYR A 24 -20.379 -37.135 9.121 1.00 0.00 H new ATOM 262 N ALA A 25 -12.808 -38.765 4.660 1.00 0.00 N ATOM 263 CA ALA A 25 -11.493 -38.689 4.029 1.00 0.00 C ATOM 264 C ALA A 25 -11.475 -39.488 2.737 1.00 0.00 C ATOM 265 O ALA A 25 -11.035 -38.999 1.699 1.00 0.00 O ATOM 266 CB ALA A 25 -10.426 -39.250 4.957 1.00 0.00 C ATOM 0 H ALA A 25 -12.797 -39.167 5.597 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.286 -37.640 3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.452 -39.186 4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.409 -38.674 5.882 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.651 -40.292 5.182 1.00 0.00 H new ATOM 272 N TRP A 26 -11.960 -40.725 2.820 1.00 0.00 N ATOM 273 CA TRP A 26 -12.012 -41.619 1.668 1.00 0.00 C ATOM 274 C TRP A 26 -12.912 -41.044 0.587 1.00 0.00 C ATOM 275 O TRP A 26 -12.579 -41.078 -0.596 1.00 0.00 O ATOM 276 CB TRP A 26 -12.561 -42.988 2.076 1.00 0.00 C ATOM 277 CG TRP A 26 -12.635 -43.966 0.944 1.00 0.00 C ATOM 278 CD1 TRP A 26 -13.758 -44.362 0.275 1.00 0.00 C ATOM 279 CD2 TRP A 26 -11.541 -44.673 0.347 1.00 0.00 C ATOM 280 NE1 TRP A 26 -13.432 -45.272 -0.701 1.00 0.00 N ATOM 281 CE2 TRP A 26 -12.075 -45.479 -0.677 1.00 0.00 C ATOM 282 CE3 TRP A 26 -10.163 -44.703 0.578 1.00 0.00 C ATOM 283 CZ2 TRP A 26 -11.280 -46.306 -1.469 1.00 0.00 C ATOM 284 CZ3 TRP A 26 -9.378 -45.524 -0.209 1.00 0.00 C ATOM 285 CH2 TRP A 26 -9.934 -46.315 -1.219 1.00 0.00 C ATOM 0 H TRP A 26 -12.325 -41.132 3.681 1.00 0.00 H new ATOM 0 HA TRP A 26 -10.997 -41.726 1.286 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -11.931 -43.403 2.863 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -13.557 -42.859 2.500 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -14.758 -44.010 0.483 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -14.090 -45.720 -1.339 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -9.721 -44.097 1.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -11.709 -46.916 -2.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -8.312 -45.555 -0.040 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -9.289 -46.945 -1.813 1.00 0.00 H new ATOM 296 N ALA A 27 -14.056 -40.514 1.012 1.00 0.00 N ATOM 297 CA ALA A 27 -15.028 -39.921 0.099 1.00 0.00 C ATOM 298 C ALA A 27 -14.460 -38.661 -0.537 1.00 0.00 C ATOM 299 O ALA A 27 -14.563 -38.464 -1.745 1.00 0.00 O ATOM 300 CB ALA A 27 -16.301 -39.553 0.846 1.00 0.00 C ATOM 0 H ALA A 27 -14.334 -40.484 1.993 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.252 -40.656 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.016 -39.112 0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.733 -40.449 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.067 -38.834 1.631 1.00 0.00 H new ATOM 306 N MET A 28 -13.864 -37.814 0.297 1.00 0.00 N ATOM 307 CA MET A 28 -13.268 -36.561 -0.157 1.00 0.00 C ATOM 308 C MET A 28 -12.031 -36.833 -0.997 1.00 0.00 C ATOM 309 O MET A 28 -11.883 -36.300 -2.094 1.00 0.00 O ATOM 310 CB MET A 28 -12.860 -35.698 1.038 1.00 0.00 C ATOM 311 CG MET A 28 -12.283 -34.344 0.658 1.00 0.00 C ATOM 312 SD MET A 28 -11.845 -33.346 2.094 1.00 0.00 S ATOM 313 CE MET A 28 -10.419 -34.240 2.706 1.00 0.00 C ATOM 0 H MET A 28 -13.781 -37.975 1.301 1.00 0.00 H new ATOM 0 HA MET A 28 -14.013 -36.037 -0.755 1.00 0.00 H new ATOM 0 HB2 MET A 28 -13.731 -35.544 1.675 1.00 0.00 H new ATOM 0 HB3 MET A 28 -12.124 -36.241 1.630 1.00 0.00 H new ATOM 0 HG2 MET A 28 -11.398 -34.492 0.040 1.00 0.00 H new ATOM 0 HG3 MET A 28 -13.008 -33.802 0.052 1.00 0.00 H new ATOM 0 HE1 MET A 28 -9.887 -33.624 3.431 1.00 0.00 H new ATOM 0 HE2 MET A 28 -10.746 -35.163 3.185 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.755 -34.478 1.875 1.00 0.00 H new ATOM 323 N VAL A 29 -11.146 -37.672 -0.462 1.00 0.00 N ATOM 324 CA VAL A 29 -9.907 -38.036 -1.142 1.00 0.00 C ATOM 325 C VAL A 29 -10.207 -38.777 -2.434 1.00 0.00 C ATOM 326 O VAL A 29 -9.665 -38.453 -3.488 1.00 0.00 O ATOM 327 CB VAL A 29 -9.029 -38.949 -0.266 1.00 0.00 C ATOM 328 CG1 VAL A 29 -7.850 -39.481 -1.065 1.00 0.00 C ATOM 329 CG2 VAL A 29 -8.491 -38.181 0.932 1.00 0.00 C ATOM 0 H VAL A 29 -11.267 -38.115 0.449 1.00 0.00 H new ATOM 0 HA VAL A 29 -9.375 -37.107 -1.348 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.649 -39.778 0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.241 -40.124 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.217 -40.054 -1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.246 -38.647 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.873 -38.842 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.891 -37.340 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.323 -37.811 1.530 1.00 0.00 H new ATOM 339 N VAL A 30 -11.077 -39.778 -2.334 1.00 0.00 N ATOM 340 CA VAL A 30 -11.471 -40.588 -3.482 1.00 0.00 C ATOM 341 C VAL A 30 -12.041 -39.710 -4.584 1.00 0.00 C ATOM 342 O VAL A 30 -11.745 -39.902 -5.761 1.00 0.00 O ATOM 343 CB VAL A 30 -12.545 -41.624 -3.100 1.00 0.00 C ATOM 344 CG1 VAL A 30 -13.089 -42.310 -4.343 1.00 0.00 C ATOM 345 CG2 VAL A 30 -11.958 -42.686 -2.183 1.00 0.00 C ATOM 0 H VAL A 30 -11.527 -40.049 -1.460 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.574 -41.102 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 30 -13.349 -41.096 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -13.847 -43.039 -4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -13.534 -41.566 -5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.277 -42.818 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.731 -43.410 -1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.140 -43.195 -2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.582 -42.215 -1.275 1.00 0.00 H new ATOM 355 N VAL A 31 -12.863 -38.744 -4.180 1.00 0.00 N ATOM 356 CA VAL A 31 -13.494 -37.815 -5.114 1.00 0.00 C ATOM 357 C VAL A 31 -12.478 -36.809 -5.633 1.00 0.00 C ATOM 358 O VAL A 31 -12.392 -36.563 -6.833 1.00 0.00 O ATOM 359 CB VAL A 31 -14.637 -37.030 -4.444 1.00 0.00 C ATOM 360 CG1 VAL A 31 -15.155 -35.944 -5.375 1.00 0.00 C ATOM 361 CG2 VAL A 31 -15.791 -37.960 -4.101 1.00 0.00 C ATOM 0 H VAL A 31 -13.109 -38.584 -3.203 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.894 -38.413 -5.933 1.00 0.00 H new ATOM 0 HB VAL A 31 -14.242 -36.579 -3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.962 -35.399 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.346 -35.254 -5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -15.529 -36.399 -6.292 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.590 -37.389 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -16.167 -38.425 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -15.444 -38.734 -3.416 1.00 0.00 H new ATOM 371 N ILE A 32 -11.714 -36.236 -4.708 1.00 0.00 N ATOM 372 CA ILE A 32 -10.692 -35.250 -5.043 1.00 0.00 C ATOM 373 C ILE A 32 -9.634 -35.865 -5.945 1.00 0.00 C ATOM 374 O ILE A 32 -9.310 -35.322 -6.999 1.00 0.00 O ATOM 375 CB ILE A 32 -9.987 -34.717 -3.782 1.00 0.00 C ATOM 376 CG1 ILE A 32 -10.960 -33.894 -2.935 1.00 0.00 C ATOM 377 CG2 ILE A 32 -8.811 -33.831 -4.163 1.00 0.00 C ATOM 378 CD1 ILE A 32 -10.426 -33.539 -1.564 1.00 0.00 C ATOM 0 H ILE A 32 -11.785 -36.440 -3.711 1.00 0.00 H new ATOM 0 HA ILE A 32 -11.199 -34.430 -5.552 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.632 -35.575 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.205 -32.976 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.889 -34.453 -2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.325 -33.463 -3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.097 -34.407 -4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.168 -32.986 -4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.171 -32.956 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.208 -34.452 -1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.513 -32.953 -1.670 1.00 0.00 H new ATOM 390 N VAL A 33 -9.102 -37.005 -5.513 1.00 0.00 N ATOM 391 CA VAL A 33 -8.075 -37.721 -6.263 1.00 0.00 C ATOM 392 C VAL A 33 -8.686 -38.424 -7.465 1.00 0.00 C ATOM 393 O VAL A 33 -8.178 -38.326 -8.579 1.00 0.00 O ATOM 394 CB VAL A 33 -7.381 -38.786 -5.394 1.00 0.00 C ATOM 395 CG1 VAL A 33 -6.450 -39.640 -6.241 1.00 0.00 C ATOM 396 CG2 VAL A 33 -6.562 -38.126 -4.295 1.00 0.00 C ATOM 0 H VAL A 33 -9.369 -37.456 -4.638 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.343 -36.980 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.157 -39.411 -4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.968 -40.387 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.024 -40.139 -7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.690 -39.006 -6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.079 -38.894 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.803 -37.485 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.217 -37.526 -3.663 1.00 0.00 H new ATOM 406 N GLY A 34 -9.783 -39.134 -7.218 1.00 0.00 N ATOM 407 CA GLY A 34 -10.489 -39.868 -8.265 1.00 0.00 C ATOM 408 C GLY A 34 -11.267 -38.911 -9.153 1.00 0.00 C ATOM 409 O GLY A 34 -11.130 -38.932 -10.374 1.00 0.00 O ATOM 0 H GLY A 34 -10.206 -39.217 -6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.776 -40.433 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.170 -40.591 -7.815 1.00 0.00 H new ATOM 413 N ALA A 35 -12.084 -38.075 -8.520 1.00 0.00 N ATOM 414 CA ALA A 35 -12.901 -37.095 -9.230 1.00 0.00 C ATOM 415 C ALA A 35 -12.029 -35.985 -9.797 1.00 0.00 C ATOM 416 O ALA A 35 -12.062 -35.705 -10.993 1.00 0.00 O ATOM 417 CB ALA A 35 -13.921 -36.473 -8.288 1.00 0.00 C ATOM 0 H ALA A 35 -12.199 -38.057 -7.507 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.413 -37.613 -10.041 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.522 -35.745 -8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.570 -37.252 -7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.403 -35.976 -7.468 1.00 0.00 H new ATOM 423 N THR A 36 -11.250 -35.360 -8.918 1.00 0.00 N ATOM 424 CA THR A 36 -10.355 -34.273 -9.303 1.00 0.00 C ATOM 425 C THR A 36 -9.293 -34.775 -10.266 1.00 0.00 C ATOM 426 O THR A 36 -9.129 -34.239 -11.360 1.00 0.00 O ATOM 427 CB THR A 36 -9.639 -33.671 -8.080 1.00 0.00 C ATOM 428 OG1 THR A 36 -10.607 -33.118 -7.180 1.00 0.00 O ATOM 429 CG2 THR A 36 -8.682 -32.570 -8.511 1.00 0.00 C ATOM 0 H THR A 36 -11.221 -35.591 -7.925 1.00 0.00 H new ATOM 0 HA THR A 36 -10.971 -33.509 -9.777 1.00 0.00 H new ATOM 0 HB THR A 36 -9.076 -34.462 -7.585 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.210 -32.364 -6.695 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.185 -32.156 -7.634 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.936 -32.982 -9.190 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.239 -31.782 -9.018 1.00 0.00 H new ATOM 437 N ILE A 37 -8.575 -35.811 -9.842 1.00 0.00 N ATOM 438 CA ILE A 37 -7.516 -36.410 -10.649 1.00 0.00 C ATOM 439 C ILE A 37 -8.111 -37.223 -11.788 1.00 0.00 C ATOM 440 O ILE A 37 -7.575 -37.244 -12.895 1.00 0.00 O ATOM 441 CB ILE A 37 -6.629 -37.348 -9.810 1.00 0.00 C ATOM 442 CG1 ILE A 37 -5.840 -36.549 -8.771 1.00 0.00 C ATOM 443 CG2 ILE A 37 -5.642 -38.087 -10.701 1.00 0.00 C ATOM 444 CD1 ILE A 37 -5.134 -37.409 -7.746 1.00 0.00 C ATOM 0 H ILE A 37 -8.709 -36.257 -8.935 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.912 -35.590 -11.039 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.281 -38.064 -9.310 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.102 -35.932 -9.284 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.520 -35.870 -8.256 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.023 -38.745 -10.091 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.188 -38.679 -11.435 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.007 -37.366 -11.216 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.597 -36.771 -7.044 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -5.868 -38.007 -7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.428 -38.070 -8.249 1.00 0.00 H new ATOM 456 N GLY A 38 -9.224 -37.890 -11.498 1.00 0.00 N ATOM 457 CA GLY A 38 -9.918 -38.716 -12.483 1.00 0.00 C ATOM 458 C GLY A 38 -10.517 -37.849 -13.578 1.00 0.00 C ATOM 459 O GLY A 38 -10.368 -38.137 -14.764 1.00 0.00 O ATOM 0 H GLY A 38 -9.669 -37.874 -10.580 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.223 -39.434 -12.919 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.705 -39.291 -11.995 1.00 0.00 H new ATOM 463 N ILE A 39 -11.196 -36.784 -13.161 1.00 0.00 N ATOM 464 CA ILE A 39 -11.832 -35.853 -14.087 1.00 0.00 C ATOM 465 C ILE A 39 -10.801 -35.244 -15.024 1.00 0.00 C ATOM 466 O ILE A 39 -11.036 -35.115 -16.223 1.00 0.00 O ATOM 467 CB ILE A 39 -12.530 -34.702 -13.339 1.00 0.00 C ATOM 468 CG1 ILE A 39 -13.728 -35.229 -12.547 1.00 0.00 C ATOM 469 CG2 ILE A 39 -13.026 -33.652 -14.322 1.00 0.00 C ATOM 470 CD1 ILE A 39 -14.790 -35.879 -13.406 1.00 0.00 C ATOM 0 H ILE A 39 -11.320 -36.543 -12.178 1.00 0.00 H new ATOM 0 HA ILE A 39 -12.571 -36.423 -14.651 1.00 0.00 H new ATOM 0 HB ILE A 39 -11.804 -34.257 -12.659 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.376 -35.953 -11.812 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.177 -34.404 -11.993 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -13.517 -32.846 -13.777 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.182 -33.250 -14.882 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.736 -34.107 -15.013 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.607 -36.227 -12.774 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.172 -35.153 -14.124 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.358 -36.725 -13.940 1.00 0.00 H new ATOM 482 N LYS A 40 -9.657 -34.874 -14.455 1.00 0.00 N ATOM 483 CA LYS A 40 -8.566 -34.274 -15.218 1.00 0.00 C ATOM 484 C LYS A 40 -8.147 -35.189 -16.357 1.00 0.00 C ATOM 485 O LYS A 40 -7.956 -34.743 -17.486 1.00 0.00 O ATOM 486 CB LYS A 40 -7.352 -34.034 -14.319 1.00 0.00 C ATOM 487 CG LYS A 40 -6.182 -33.364 -15.021 1.00 0.00 C ATOM 488 CD LYS A 40 -5.035 -33.105 -14.058 1.00 0.00 C ATOM 489 CE LYS A 40 -3.859 -32.448 -14.763 1.00 0.00 C ATOM 490 NZ LYS A 40 -2.732 -32.178 -13.829 1.00 0.00 N ATOM 0 H LYS A 40 -9.461 -34.980 -13.460 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.923 -33.325 -15.618 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.656 -33.417 -13.473 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.019 -34.989 -13.913 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.837 -33.995 -15.840 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.510 -32.422 -15.461 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.378 -32.465 -13.245 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.714 -34.045 -13.610 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.514 -33.093 -15.571 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.185 -31.513 -15.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.950 -31.730 -14.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.054 -31.542 -13.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.403 -33.073 -13.414 1.00 0.00 H new ATOM 504 N LEU A 41 -8.007 -36.473 -16.042 1.00 0.00 N ATOM 505 CA LEU A 41 -7.610 -37.478 -17.022 1.00 0.00 C ATOM 506 C LEU A 41 -8.545 -37.452 -18.220 1.00 0.00 C ATOM 507 O LEU A 41 -8.130 -37.699 -19.350 1.00 0.00 O ATOM 508 CB LEU A 41 -7.655 -38.877 -16.404 1.00 0.00 C ATOM 509 CG LEU A 41 -6.595 -39.185 -15.345 1.00 0.00 C ATOM 510 CD1 LEU A 41 -6.834 -40.554 -14.727 1.00 0.00 C ATOM 511 CD2 LEU A 41 -5.203 -39.177 -15.960 1.00 0.00 C ATOM 0 H LEU A 41 -8.165 -36.845 -15.105 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.594 -37.247 -17.341 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.638 -39.022 -15.956 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.560 -39.609 -17.206 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.667 -38.414 -14.578 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.069 -40.753 -13.977 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.817 -40.574 -14.257 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.787 -41.317 -15.504 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.464 -39.398 -15.190 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.147 -39.932 -16.744 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.999 -38.195 -16.387 1.00 0.00 H new ATOM 523 N PHE A 42 -9.813 -37.149 -17.954 1.00 0.00 N ATOM 524 CA PHE A 42 -10.834 -37.082 -18.995 1.00 0.00 C ATOM 525 C PHE A 42 -10.489 -36.005 -20.009 1.00 0.00 C ATOM 526 O PHE A 42 -10.599 -36.217 -21.215 1.00 0.00 O ATOM 527 CB PHE A 42 -12.199 -36.754 -18.386 1.00 0.00 C ATOM 528 CG PHE A 42 -13.310 -36.681 -19.394 1.00 0.00 C ATOM 529 CD1 PHE A 42 -13.877 -37.835 -19.906 1.00 0.00 C ATOM 530 CD2 PHE A 42 -13.789 -35.458 -19.831 1.00 0.00 C ATOM 531 CE1 PHE A 42 -14.900 -37.768 -20.833 1.00 0.00 C ATOM 532 CE2 PHE A 42 -14.811 -35.391 -20.758 1.00 0.00 C ATOM 533 CZ PHE A 42 -15.366 -36.539 -21.259 1.00 0.00 C ATOM 0 H PHE A 42 -10.160 -36.944 -17.017 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.872 -38.054 -19.486 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -12.446 -37.511 -17.641 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -12.133 -35.801 -17.862 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -13.516 -38.798 -19.578 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -13.359 -34.546 -19.443 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.335 -38.676 -21.224 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -15.174 -34.429 -21.089 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.165 -36.484 -21.984 1.00 0.00 H new ATOM 543 N LYS A 43 -10.073 -34.848 -19.502 1.00 0.00 N ATOM 544 CA LYS A 43 -9.703 -33.715 -20.344 1.00 0.00 C ATOM 545 C LYS A 43 -8.398 -33.993 -21.072 1.00 0.00 C ATOM 546 O LYS A 43 -8.266 -33.713 -22.260 1.00 0.00 O ATOM 547 CB LYS A 43 -9.523 -32.454 -19.497 1.00 0.00 C ATOM 548 CG LYS A 43 -10.819 -31.898 -18.928 1.00 0.00 C ATOM 549 CD LYS A 43 -10.569 -30.641 -18.111 1.00 0.00 C ATOM 550 CE LYS A 43 -11.864 -30.085 -17.543 1.00 0.00 C ATOM 551 NZ LYS A 43 -11.633 -28.860 -16.728 1.00 0.00 N ATOM 0 H LYS A 43 -9.983 -34.670 -18.502 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.505 -33.565 -21.067 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.843 -32.676 -18.674 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.047 -31.685 -20.106 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.509 -31.674 -19.741 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.297 -32.652 -18.302 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.879 -30.865 -17.297 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.091 -29.887 -18.736 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.549 -29.854 -18.359 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.346 -30.845 -16.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.541 -28.512 -16.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.000 -29.085 -15.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.196 -28.126 -17.321 1.00 0.00 H new ATOM 565 N LYS A 44 -7.439 -34.552 -20.338 1.00 0.00 N ATOM 566 CA LYS A 44 -6.129 -34.884 -20.888 1.00 0.00 C ATOM 567 C LYS A 44 -6.220 -36.112 -21.779 1.00 0.00 C ATOM 568 O LYS A 44 -5.668 -36.138 -22.877 1.00 0.00 O ATOM 569 CB LYS A 44 -5.134 -35.176 -19.763 1.00 0.00 C ATOM 570 CG LYS A 44 -3.725 -35.481 -20.245 1.00 0.00 C ATOM 571 CD LYS A 44 -2.779 -35.706 -19.076 1.00 0.00 C ATOM 572 CE LYS A 44 -1.373 -36.025 -19.558 1.00 0.00 C ATOM 573 NZ LYS A 44 -0.432 -36.236 -18.423 1.00 0.00 N ATOM 0 H LYS A 44 -7.548 -34.786 -19.351 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.788 -34.029 -21.471 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.099 -34.318 -19.091 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.498 -36.022 -19.181 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.739 -36.367 -20.880 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.361 -34.656 -20.857 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.757 -34.816 -18.447 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.149 -36.525 -18.458 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.397 -36.919 -20.181 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.010 -35.210 -20.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.516 -36.451 -18.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.390 -35.374 -17.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.764 -37.030 -17.840 1.00 0.00 H new ATOM 587 N PHE A 45 -6.925 -37.126 -21.287 1.00 0.00 N ATOM 588 CA PHE A 45 -7.108 -38.376 -22.019 1.00 0.00 C ATOM 589 C PHE A 45 -8.109 -38.190 -23.149 1.00 0.00 C ATOM 590 O PHE A 45 -7.904 -38.676 -24.259 1.00 0.00 O ATOM 591 CB PHE A 45 -7.629 -39.471 -21.087 1.00 0.00 C ATOM 592 CG PHE A 45 -7.806 -40.804 -21.757 1.00 0.00 C ATOM 593 CD1 PHE A 45 -6.716 -41.617 -22.012 1.00 0.00 C ATOM 594 CD2 PHE A 45 -9.063 -41.245 -22.132 1.00 0.00 C ATOM 595 CE1 PHE A 45 -6.879 -42.843 -22.629 1.00 0.00 C ATOM 596 CE2 PHE A 45 -9.226 -42.471 -22.749 1.00 0.00 C ATOM 597 CZ PHE A 45 -8.141 -43.269 -22.997 1.00 0.00 C ATOM 0 H PHE A 45 -7.383 -37.106 -20.376 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.140 -38.667 -22.427 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.938 -39.584 -20.252 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.585 -39.155 -20.669 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.727 -41.290 -21.726 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -9.926 -40.624 -21.940 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.020 -43.468 -22.824 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -10.213 -42.801 -23.037 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.271 -44.227 -23.478 1.00 0.00 H new ATOM 607 N THR A 46 -9.191 -37.479 -22.848 1.00 0.00 N ATOM 608 CA THR A 46 -10.245 -37.210 -23.822 1.00 0.00 C ATOM 609 C THR A 46 -9.793 -36.154 -24.816 1.00 0.00 C ATOM 610 O THR A 46 -10.006 -36.287 -26.019 1.00 0.00 O ATOM 611 CB THR A 46 -11.528 -36.700 -23.139 1.00 0.00 C ATOM 612 OG1 THR A 46 -12.026 -37.701 -22.242 1.00 0.00 O ATOM 613 CG2 THR A 46 -12.597 -36.392 -24.176 1.00 0.00 C ATOM 0 H THR A 46 -9.362 -37.075 -21.927 1.00 0.00 H new ATOM 0 HA THR A 46 -10.453 -38.151 -24.332 1.00 0.00 H new ATOM 0 HB THR A 46 -11.289 -35.790 -22.589 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.196 -37.299 -21.365 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.496 -36.033 -23.676 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.231 -35.625 -24.859 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.831 -37.297 -24.737 1.00 0.00 H new ATOM 621 N SER A 47 -9.166 -35.104 -24.295 1.00 0.00 N ATOM 622 CA SER A 47 -8.671 -34.002 -25.116 1.00 0.00 C ATOM 623 C SER A 47 -7.413 -34.420 -25.862 1.00 0.00 C ATOM 624 O SER A 47 -7.250 -34.117 -27.041 1.00 0.00 O ATOM 625 CB SER A 47 -8.337 -32.791 -24.242 1.00 0.00 C ATOM 626 OG SER A 47 -7.844 -31.718 -25.025 1.00 0.00 O ATOM 0 H SER A 47 -8.987 -34.992 -23.297 1.00 0.00 H new ATOM 0 HA SER A 47 -9.453 -33.738 -25.828 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.228 -32.472 -23.702 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.595 -33.071 -23.495 1.00 0.00 H new ATOM 0 HG SER A 47 -7.639 -30.956 -24.444 1.00 0.00 H new ATOM 632 N LYS A 48 -6.531 -35.119 -25.154 1.00 0.00 N ATOM 633 CA LYS A 48 -5.273 -35.594 -25.724 1.00 0.00 C ATOM 634 C LYS A 48 -5.519 -36.778 -26.644 1.00 0.00 C ATOM 635 O LYS A 48 -4.916 -36.885 -27.710 1.00 0.00 O ATOM 636 CB LYS A 48 -4.315 -36.034 -24.615 1.00 0.00 C ATOM 637 CG LYS A 48 -2.953 -36.489 -25.116 1.00 0.00 C ATOM 638 CD LYS A 48 -2.036 -36.857 -23.962 1.00 0.00 C ATOM 639 CE LYS A 48 -0.679 -37.326 -24.463 1.00 0.00 C ATOM 640 NZ LYS A 48 0.235 -37.679 -23.342 1.00 0.00 N ATOM 0 H LYS A 48 -6.666 -35.371 -24.175 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.833 -34.772 -26.289 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.177 -35.206 -23.920 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.775 -36.848 -24.054 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.074 -37.348 -25.776 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.497 -35.695 -25.707 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.907 -35.995 -23.308 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.497 -37.643 -23.365 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.811 -38.193 -25.111 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.225 -36.542 -25.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.149 -37.994 -23.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.382 -36.845 -22.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.186 -38.445 -22.779 1.00 0.00 H new ATOM 654 N ALA A 49 -6.415 -37.663 -26.215 1.00 0.00 N ATOM 655 CA ALA A 49 -6.764 -38.855 -26.983 1.00 0.00 C ATOM 0 H ALA A 49 -6.917 -37.575 -25.331 1.00 0.00 H new