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=-0.85!) USER MOD Single : A 17 SER OG : rot 77:sc= 1.04 USER MOD Single : A 19 THR OG1 : rot 91:sc= -0.82! USER MOD Single : A 21 MET CE :methyl 166:sc=-0.00656 (180deg=-0.223) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 166:sc= -0.0104 (180deg=-0.244) USER MOD Single : A 36 THR OG1 : rot -150:sc= -1.49! 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 135:sc= 0.96! 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 28.964 -15.862 30.519 1.00 0.00 C ATOM 2 C PRO A 6 28.311 -14.979 29.468 1.00 0.00 C ATOM 3 O PRO A 6 27.733 -15.471 28.501 1.00 0.00 O ATOM 5 N ALA A 7 28.411 -13.668 29.675 1.00 0.00 N ATOM 6 CA ALA A 7 27.838 -12.687 28.759 1.00 0.00 C ATOM 7 C ALA A 7 28.620 -12.655 27.456 1.00 0.00 C ATOM 8 O ALA A 7 28.046 -12.504 26.380 1.00 0.00 O ATOM 9 CB ALA A 7 27.876 -11.298 29.378 1.00 0.00 C ATOM 0 H ALA A 7 28.889 -13.258 30.478 1.00 0.00 H new ATOM 0 HA ALA A 7 26.806 -12.977 28.563 1.00 0.00 H new ATOM 0 HB1 ALA A 7 27.445 -10.578 28.682 1.00 0.00 H new ATOM 0 HB2 ALA A 7 27.301 -11.297 30.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 28.909 -11.023 29.592 1.00 0.00 H new ATOM 15 N LYS A 8 29.938 -12.800 27.573 1.00 0.00 N ATOM 16 CA LYS A 8 30.829 -12.791 26.416 1.00 0.00 C ATOM 17 C LYS A 8 30.345 -13.775 25.364 1.00 0.00 C ATOM 18 O LYS A 8 30.310 -13.462 24.176 1.00 0.00 O ATOM 19 CB LYS A 8 32.248 -13.185 26.830 1.00 0.00 C ATOM 20 CG LYS A 8 33.260 -13.139 25.696 1.00 0.00 C ATOM 21 CD LYS A 8 34.656 -13.486 26.188 1.00 0.00 C ATOM 22 CE LYS A 8 35.665 -13.455 25.052 1.00 0.00 C ATOM 23 NZ LYS A 8 37.040 -13.781 25.522 1.00 0.00 N ATOM 0 H LYS A 8 30.415 -12.926 28.466 1.00 0.00 H new ATOM 0 HA LYS A 8 30.830 -11.781 26.005 1.00 0.00 H new ATOM 0 HB2 LYS A 8 32.581 -12.520 27.627 1.00 0.00 H new ATOM 0 HB3 LYS A 8 32.228 -14.193 27.244 1.00 0.00 H new ATOM 0 HG2 LYS A 8 32.964 -13.837 24.913 1.00 0.00 H new ATOM 0 HG3 LYS A 8 33.266 -12.144 25.251 1.00 0.00 H new ATOM 0 HD2 LYS A 8 34.956 -12.781 26.963 1.00 0.00 H new ATOM 0 HD3 LYS A 8 34.648 -14.476 26.643 1.00 0.00 H new ATOM 0 HE2 LYS A 8 35.366 -14.166 24.282 1.00 0.00 H new ATOM 0 HE3 LYS A 8 35.663 -12.467 24.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 37.698 -13.749 24.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 37.335 -13.088 26.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 37.048 -14.734 25.938 1.00 0.00 H new ATOM 37 N ALA A 9 29.973 -14.967 25.820 1.00 0.00 N ATOM 38 CA ALA A 9 29.484 -16.022 24.937 1.00 0.00 C ATOM 39 C ALA A 9 28.088 -15.693 24.436 1.00 0.00 C ATOM 40 O ALA A 9 27.729 -16.021 23.307 1.00 0.00 O ATOM 41 CB ALA A 9 29.430 -17.350 25.677 1.00 0.00 C ATOM 0 H ALA A 9 30.001 -15.229 26.805 1.00 0.00 H new ATOM 0 HA ALA A 9 30.170 -16.095 24.093 1.00 0.00 H new ATOM 0 HB1 ALA A 9 29.063 -18.126 25.005 1.00 0.00 H new ATOM 0 HB2 ALA A 9 30.429 -17.613 26.025 1.00 0.00 H new ATOM 0 HB3 ALA A 9 28.759 -17.263 26.532 1.00 0.00 H new ATOM 47 N ALA A 10 27.308 -15.039 25.292 1.00 0.00 N ATOM 48 CA ALA A 10 25.942 -14.650 24.962 1.00 0.00 C ATOM 49 C ALA A 10 25.938 -13.579 23.884 1.00 0.00 C ATOM 50 O ALA A 10 25.192 -13.665 22.911 1.00 0.00 O ATOM 51 CB ALA A 10 25.236 -14.098 26.191 1.00 0.00 C ATOM 0 H ALA A 10 27.604 -14.765 26.229 1.00 0.00 H new ATOM 0 HA ALA A 10 25.421 -15.537 24.602 1.00 0.00 H new ATOM 0 HB1 ALA A 10 24.218 -13.812 25.928 1.00 0.00 H new ATOM 0 HB2 ALA A 10 25.209 -14.861 26.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 25.775 -13.224 26.558 1.00 0.00 H new ATOM 57 N PHE A 11 26.784 -12.570 24.073 1.00 0.00 N ATOM 58 CA PHE A 11 26.901 -11.462 23.129 1.00 0.00 C ATOM 59 C PHE A 11 27.630 -11.910 21.873 1.00 0.00 C ATOM 60 O PHE A 11 27.235 -11.569 20.759 1.00 0.00 O ATOM 61 CB PHE A 11 27.681 -10.305 23.755 1.00 0.00 C ATOM 62 CG PHE A 11 27.811 -9.106 22.859 1.00 0.00 C ATOM 63 CD1 PHE A 11 26.753 -8.230 22.693 1.00 0.00 C ATOM 64 CD2 PHE A 11 28.992 -8.855 22.182 1.00 0.00 C ATOM 65 CE1 PHE A 11 26.872 -7.127 21.869 1.00 0.00 C ATOM 66 CE2 PHE A 11 29.111 -7.752 21.358 1.00 0.00 C ATOM 67 CZ PHE A 11 28.058 -6.890 21.200 1.00 0.00 C ATOM 0 H PHE A 11 27.404 -12.497 24.879 1.00 0.00 H new ATOM 0 HA PHE A 11 25.893 -11.133 22.875 1.00 0.00 H new ATOM 0 HB2 PHE A 11 27.187 -10.004 24.679 1.00 0.00 H new ATOM 0 HB3 PHE A 11 28.677 -10.655 24.025 1.00 0.00 H new ATOM 0 HD1 PHE A 11 25.824 -8.410 23.213 1.00 0.00 H new ATOM 0 HD2 PHE A 11 29.829 -9.528 22.299 1.00 0.00 H new ATOM 0 HE1 PHE A 11 26.039 -6.451 21.748 1.00 0.00 H new ATOM 0 HE2 PHE A 11 30.039 -7.569 20.836 1.00 0.00 H new ATOM 0 HZ PHE A 11 28.154 -6.029 20.555 1.00 0.00 H new ATOM 77 N ASP A 12 28.698 -12.677 22.071 1.00 0.00 N ATOM 78 CA ASP A 12 29.507 -13.189 20.968 1.00 0.00 C ATOM 79 C ASP A 12 28.762 -14.287 20.226 1.00 0.00 C ATOM 80 O ASP A 12 28.832 -14.381 19.003 1.00 0.00 O ATOM 81 CB ASP A 12 30.823 -13.767 21.492 1.00 0.00 C ATOM 82 CG ASP A 12 31.790 -14.117 20.378 1.00 0.00 C ATOM 83 OD1 ASP A 12 32.114 -13.222 19.570 1.00 0.00 O ATOM 84 OD2 ASP A 12 32.223 -15.287 20.314 1.00 0.00 O ATOM 0 H ASP A 12 29.026 -12.960 22.994 1.00 0.00 H new ATOM 0 HA ASP A 12 29.711 -12.358 20.292 1.00 0.00 H new ATOM 0 HB2 ASP A 12 31.291 -13.046 22.162 1.00 0.00 H new ATOM 0 HB3 ASP A 12 30.614 -14.660 22.081 1.00 0.00 H new ATOM 90 N SER A 13 28.048 -15.112 20.986 1.00 0.00 N ATOM 91 CA SER A 13 27.276 -16.218 20.427 1.00 0.00 C ATOM 92 C SER A 13 26.152 -15.691 19.549 1.00 0.00 C ATOM 93 O SER A 13 25.926 -16.188 18.447 1.00 0.00 O ATOM 94 CB SER A 13 26.662 -17.062 21.546 1.00 0.00 C ATOM 95 OG SER A 13 25.909 -18.140 21.017 1.00 0.00 O ATOM 0 H SER A 13 27.988 -15.034 22.001 1.00 0.00 H new ATOM 0 HA SER A 13 27.954 -16.830 19.832 1.00 0.00 H new ATOM 0 HB2 SER A 13 27.452 -17.448 22.190 1.00 0.00 H new ATOM 0 HB3 SER A 13 26.021 -16.437 22.167 1.00 0.00 H new ATOM 0 HG SER A 13 25.528 -18.665 21.752 1.00 0.00 H new ATOM 101 N LEU A 14 25.454 -14.677 20.054 1.00 0.00 N ATOM 102 CA LEU A 14 24.344 -14.058 19.335 1.00 0.00 C ATOM 103 C LEU A 14 24.841 -13.379 18.070 1.00 0.00 C ATOM 104 O LEU A 14 24.276 -13.557 16.994 1.00 0.00 O ATOM 105 CB LEU A 14 23.658 -13.007 20.210 1.00 0.00 C ATOM 106 CG LEU A 14 22.458 -12.288 19.591 1.00 0.00 C ATOM 107 CD1 LEU A 14 21.334 -13.270 19.302 1.00 0.00 C ATOM 108 CD2 LEU A 14 21.926 -11.220 20.535 1.00 0.00 C ATOM 0 H LEU A 14 25.640 -14.263 20.968 1.00 0.00 H new ATOM 0 HA LEU A 14 23.635 -14.845 19.078 1.00 0.00 H new ATOM 0 HB2 LEU A 14 23.330 -13.490 21.131 1.00 0.00 H new ATOM 0 HB3 LEU A 14 24.399 -12.258 20.489 1.00 0.00 H new ATOM 0 HG LEU A 14 22.797 -11.828 18.663 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.490 -12.738 18.862 1.00 0.00 H new ATOM 0 HD12 LEU A 14 21.686 -14.031 18.606 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.019 -13.746 20.231 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.073 -10.721 20.076 1.00 0.00 H new ATOM 0 HD22 LEU A 14 21.614 -11.684 21.471 1.00 0.00 H new ATOM 0 HD23 LEU A 14 22.709 -10.489 20.736 1.00 0.00 H new ATOM 120 N GLN A 15 25.909 -12.598 18.219 1.00 0.00 N ATOM 121 CA GLN A 15 26.508 -11.874 17.101 1.00 0.00 C ATOM 122 C GLN A 15 26.852 -12.831 15.971 1.00 0.00 C ATOM 123 O GLN A 15 26.646 -12.524 14.799 1.00 0.00 O ATOM 124 CB GLN A 15 27.791 -11.169 17.545 1.00 0.00 C ATOM 125 CG GLN A 15 28.439 -10.319 16.464 1.00 0.00 C ATOM 126 CD GLN A 15 29.669 -9.585 16.958 1.00 0.00 C ATOM 127 OE1 GLN A 15 30.059 -9.718 18.119 1.00 0.00 O ATOM 128 NE2 GLN A 15 30.286 -8.806 16.077 1.00 0.00 N ATOM 0 H GLN A 15 26.380 -12.450 19.111 1.00 0.00 H new ATOM 0 HA GLN A 15 25.782 -11.138 16.755 1.00 0.00 H new ATOM 0 HB2 GLN A 15 27.566 -10.536 18.404 1.00 0.00 H new ATOM 0 HB3 GLN A 15 28.507 -11.919 17.880 1.00 0.00 H new ATOM 0 HG2 GLN A 15 28.714 -10.955 15.623 1.00 0.00 H new ATOM 0 HG3 GLN A 15 27.713 -9.595 16.093 1.00 0.00 H new ATOM 0 HE21 GLN A 15 29.926 -8.727 15.126 1.00 0.00 H new ATOM 0 HE22 GLN A 15 31.120 -8.287 16.351 1.00 0.00 H new ATOM 137 N ALA A 16 27.381 -13.994 16.345 1.00 0.00 N ATOM 138 CA ALA A 16 27.766 -15.021 15.380 1.00 0.00 C ATOM 139 C ALA A 16 26.534 -15.683 14.787 1.00 0.00 C ATOM 140 O ALA A 16 26.419 -15.830 13.572 1.00 0.00 O ATOM 141 CB ALA A 16 28.611 -16.091 16.054 1.00 0.00 C ATOM 0 H ALA A 16 27.554 -14.250 17.317 1.00 0.00 H new ATOM 0 HA ALA A 16 28.341 -14.538 14.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 28.890 -16.849 15.322 1.00 0.00 H new ATOM 0 HB2 ALA A 16 29.512 -15.637 16.467 1.00 0.00 H new ATOM 0 HB3 ALA A 16 28.038 -16.555 16.857 1.00 0.00 H new ATOM 147 N SER A 17 25.618 -16.081 15.664 1.00 0.00 N ATOM 148 CA SER A 17 24.377 -16.735 15.255 1.00 0.00 C ATOM 149 C SER A 17 23.611 -15.858 14.278 1.00 0.00 C ATOM 150 O SER A 17 23.263 -16.292 13.182 1.00 0.00 O ATOM 151 CB SER A 17 23.485 -17.000 16.470 1.00 0.00 C ATOM 152 OG SER A 17 24.081 -17.942 17.344 1.00 0.00 O ATOM 0 H SER A 17 25.712 -15.961 16.672 1.00 0.00 H new ATOM 0 HA SER A 17 24.640 -17.679 14.777 1.00 0.00 H new ATOM 0 HB2 SER A 17 23.306 -16.067 17.004 1.00 0.00 H new ATOM 0 HB3 SER A 17 22.514 -17.370 16.139 1.00 0.00 H new ATOM 0 HG SER A 17 24.786 -17.504 17.865 1.00 0.00 H new ATOM 158 N ALA A 18 23.358 -14.619 14.691 1.00 0.00 N ATOM 159 CA ALA A 18 22.634 -13.655 13.870 1.00 0.00 C ATOM 160 C ALA A 18 23.480 -13.224 12.684 1.00 0.00 C ATOM 161 O ALA A 18 22.957 -12.894 11.622 1.00 0.00 O ATOM 162 CB ALA A 18 22.284 -12.420 14.686 1.00 0.00 C ATOM 0 H ALA A 18 23.648 -14.257 15.600 1.00 0.00 H new ATOM 0 HA ALA A 18 21.722 -14.137 13.517 1.00 0.00 H new ATOM 0 HB1 ALA A 18 21.744 -11.711 14.059 1.00 0.00 H new ATOM 0 HB2 ALA A 18 21.658 -12.707 15.531 1.00 0.00 H new ATOM 0 HB3 ALA A 18 23.199 -11.956 15.054 1.00 0.00 H new ATOM 168 N THR A 19 24.796 -13.230 12.883 1.00 0.00 N ATOM 169 CA THR A 19 25.745 -12.843 11.844 1.00 0.00 C ATOM 170 C THR A 19 25.857 -13.935 10.792 1.00 0.00 C ATOM 171 O THR A 19 25.717 -13.678 9.598 1.00 0.00 O ATOM 172 CB THR A 19 27.150 -12.600 12.425 1.00 0.00 C ATOM 173 OG1 THR A 19 27.099 -11.524 13.371 1.00 0.00 O ATOM 174 CG2 THR A 19 28.129 -12.236 11.319 1.00 0.00 C ATOM 0 H THR A 19 25.232 -13.502 13.764 1.00 0.00 H new ATOM 0 HA THR A 19 25.370 -11.921 11.400 1.00 0.00 H new ATOM 0 HB THR A 19 27.485 -13.515 12.914 1.00 0.00 H new ATOM 0 HG1 THR A 19 26.919 -11.883 14.265 1.00 0.00 H new ATOM 0 HG21 THR A 19 29.117 -12.068 11.748 1.00 0.00 H new ATOM 0 HG22 THR A 19 28.181 -13.051 10.597 1.00 0.00 H new ATOM 0 HG23 THR A 19 27.792 -11.328 10.819 1.00 0.00 H new ATOM 182 N GLU A 20 26.112 -15.155 11.256 1.00 0.00 N ATOM 183 CA GLU A 20 26.250 -16.312 10.375 1.00 0.00 C ATOM 184 C GLU A 20 24.954 -16.569 9.627 1.00 0.00 C ATOM 185 O GLU A 20 24.960 -16.861 8.434 1.00 0.00 O ATOM 186 CB GLU A 20 26.597 -17.563 11.184 1.00 0.00 C ATOM 187 CG GLU A 20 27.993 -17.546 11.785 1.00 0.00 C ATOM 188 CD GLU A 20 28.282 -18.776 12.623 1.00 0.00 C ATOM 189 OE1 GLU A 20 27.372 -19.618 12.775 1.00 0.00 O ATOM 190 OE2 GLU A 20 29.418 -18.898 13.127 1.00 0.00 O ATOM 0 H GLU A 20 26.228 -15.369 12.246 1.00 0.00 H new ATOM 0 HA GLU A 20 27.049 -16.096 9.666 1.00 0.00 H new ATOM 0 HB2 GLU A 20 25.869 -17.677 11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.501 -18.437 10.540 1.00 0.00 H new ATOM 0 HG2 GLU A 20 28.729 -17.476 10.984 1.00 0.00 H new ATOM 0 HG3 GLU A 20 28.108 -16.655 12.402 1.00 0.00 H new ATOM 198 N MET A 21 23.842 -16.455 10.349 1.00 0.00 N ATOM 199 CA MET A 21 22.516 -16.671 9.777 1.00 0.00 C ATOM 200 C MET A 21 22.213 -15.620 8.721 1.00 0.00 C ATOM 201 O MET A 21 21.600 -15.914 7.697 1.00 0.00 O ATOM 202 CB MET A 21 21.443 -16.586 10.864 1.00 0.00 C ATOM 203 CG MET A 21 20.036 -16.883 10.372 1.00 0.00 C ATOM 204 SD MET A 21 19.841 -18.582 9.803 1.00 0.00 S ATOM 205 CE MET A 21 19.893 -19.469 11.358 1.00 0.00 C ATOM 0 H MET A 21 23.834 -16.212 11.340 1.00 0.00 H new ATOM 0 HA MET A 21 22.508 -17.663 9.325 1.00 0.00 H new ATOM 0 HB2 MET A 21 21.693 -17.286 11.661 1.00 0.00 H new ATOM 0 HB3 MET A 21 21.461 -15.587 11.300 1.00 0.00 H new ATOM 0 HG2 MET A 21 19.326 -16.690 11.176 1.00 0.00 H new ATOM 0 HG3 MET A 21 19.789 -16.201 9.558 1.00 0.00 H new ATOM 0 HE1 MET A 21 19.541 -20.490 11.207 1.00 0.00 H new ATOM 0 HE2 MET A 21 20.917 -19.490 11.731 1.00 0.00 H new ATOM 0 HE3 MET A 21 19.252 -18.968 12.084 1.00 0.00 H new ATOM 215 N ILE A 22 22.653 -14.394 8.988 1.00 0.00 N ATOM 216 CA ILE A 22 22.444 -13.274 8.075 1.00 0.00 C ATOM 217 C ILE A 22 23.038 -13.582 6.711 1.00 0.00 C ATOM 218 O ILE A 22 22.526 -13.139 5.685 1.00 0.00 O ATOM 219 CB ILE A 22 23.106 -11.987 8.600 1.00 0.00 C ATOM 220 CG1 ILE A 22 22.582 -10.768 7.838 1.00 0.00 C ATOM 221 CG2 ILE A 22 24.615 -12.053 8.423 1.00 0.00 C ATOM 222 CD1 ILE A 22 22.943 -9.446 8.478 1.00 0.00 C ATOM 0 H ILE A 22 23.161 -14.149 9.838 1.00 0.00 H new ATOM 0 HA ILE A 22 21.367 -13.124 7.998 1.00 0.00 H new ATOM 0 HB ILE A 22 22.862 -11.895 9.658 1.00 0.00 H new ATOM 0 HG12 ILE A 22 22.977 -10.789 6.822 1.00 0.00 H new ATOM 0 HG13 ILE A 22 21.497 -10.839 7.760 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.066 -11.135 8.800 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.009 -12.905 8.977 1.00 0.00 H new ATOM 0 HG23 ILE A 22 24.853 -12.167 7.365 1.00 0.00 H new ATOM 0 HD11 ILE A 22 22.537 -8.630 7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 22 22.525 -9.402 9.484 1.00 0.00 H new ATOM 0 HD13 ILE A 22 24.028 -9.352 8.531 1.00 0.00 H new ATOM 234 N GLY A 23 24.127 -14.346 6.717 1.00 0.00 N ATOM 235 CA GLY A 23 24.817 -14.731 5.490 1.00 0.00 C ATOM 236 C GLY A 23 23.993 -15.745 4.711 1.00 0.00 C ATOM 237 O GLY A 23 24.020 -15.768 3.483 1.00 0.00 O ATOM 0 H GLY A 23 24.554 -14.714 7.567 1.00 0.00 H new ATOM 0 HA2 GLY A 23 24.996 -13.849 4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 23 25.792 -15.154 5.732 1.00 0.00 H new ATOM 241 N TYR A 24 23.264 -16.578 5.446 1.00 0.00 N ATOM 242 CA TYR A 24 22.419 -17.609 4.850 1.00 0.00 C ATOM 243 C TYR A 24 21.290 -16.977 4.054 1.00 0.00 C ATOM 244 O TYR A 24 21.015 -17.375 2.924 1.00 0.00 O ATOM 245 CB TYR A 24 21.807 -18.495 5.937 1.00 0.00 C ATOM 246 CG TYR A 24 22.785 -19.466 6.558 1.00 0.00 C ATOM 247 CD1 TYR A 24 23.083 -20.672 5.935 1.00 0.00 C ATOM 248 CD2 TYR A 24 23.408 -19.175 7.765 1.00 0.00 C ATOM 249 CE1 TYR A 24 23.976 -21.566 6.496 1.00 0.00 C ATOM 250 CE2 TYR A 24 24.303 -20.057 8.340 1.00 0.00 C ATOM 251 CZ TYR A 24 24.587 -21.248 7.708 1.00 0.00 C ATOM 252 OH TYR A 24 25.478 -22.128 8.278 1.00 0.00 O ATOM 0 H TYR A 24 23.241 -16.559 6.466 1.00 0.00 H new ATOM 0 HA TYR A 24 23.045 -18.211 4.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 21.394 -17.859 6.720 1.00 0.00 H new ATOM 0 HB3 TYR A 24 20.975 -19.055 5.510 1.00 0.00 H new ATOM 0 HD1 TYR A 24 22.608 -20.915 4.996 1.00 0.00 H new ATOM 0 HD2 TYR A 24 23.189 -18.242 8.263 1.00 0.00 H new ATOM 0 HE1 TYR A 24 24.198 -22.500 6.001 1.00 0.00 H new ATOM 0 HE2 TYR A 24 24.777 -19.814 9.279 1.00 0.00 H new ATOM 0 HH TYR A 24 25.814 -21.754 9.119 1.00 0.00 H new ATOM 262 N ALA A 25 20.643 -15.986 4.660 1.00 0.00 N ATOM 263 CA ALA A 25 19.534 -15.275 4.029 1.00 0.00 C ATOM 264 C ALA A 25 19.990 -14.617 2.737 1.00 0.00 C ATOM 265 O ALA A 25 19.347 -14.754 1.699 1.00 0.00 O ATOM 266 CB ALA A 25 19.000 -14.195 4.957 1.00 0.00 C ATOM 0 H ALA A 25 20.870 -15.654 5.597 1.00 0.00 H new ATOM 0 HA ALA A 25 18.750 -16.002 3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 25 18.174 -13.674 4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 18.648 -14.652 5.882 1.00 0.00 H new ATOM 0 HB3 ALA A 25 19.795 -13.484 5.183 1.00 0.00 H new ATOM 272 N TRP A 26 21.109 -13.902 2.820 1.00 0.00 N ATOM 273 CA TRP A 26 21.677 -13.209 1.668 1.00 0.00 C ATOM 274 C TRP A 26 22.067 -14.204 0.587 1.00 0.00 C ATOM 275 O TRP A 26 21.818 -13.980 -0.596 1.00 0.00 O ATOM 276 CB TRP A 26 22.926 -12.425 2.077 1.00 0.00 C ATOM 277 CG TRP A 26 23.561 -11.677 0.945 1.00 0.00 C ATOM 278 CD1 TRP A 26 24.702 -12.016 0.276 1.00 0.00 C ATOM 279 CD2 TRP A 26 23.092 -10.462 0.348 1.00 0.00 C ATOM 280 NE1 TRP A 26 24.973 -11.089 -0.700 1.00 0.00 N ATOM 281 CE2 TRP A 26 23.998 -10.123 -0.676 1.00 0.00 C ATOM 282 CE3 TRP A 26 21.994 -9.627 0.579 1.00 0.00 C ATOM 283 CZ2 TRP A 26 23.841 -8.986 -1.467 1.00 0.00 C ATOM 284 CZ3 TRP A 26 21.842 -8.501 -0.207 1.00 0.00 C ATOM 285 CH2 TRP A 26 22.758 -8.188 -1.218 1.00 0.00 C ATOM 0 H TRP A 26 21.644 -13.787 3.681 1.00 0.00 H new ATOM 0 HA TRP A 26 20.919 -12.525 1.285 1.00 0.00 H new ATOM 0 HB2 TRP A 26 22.660 -11.719 2.864 1.00 0.00 H new ATOM 0 HB3 TRP A 26 23.656 -13.115 2.500 1.00 0.00 H new ATOM 0 HD1 TRP A 26 25.305 -12.888 0.484 1.00 0.00 H new ATOM 0 HE1 TRP A 26 25.768 -11.114 -1.338 1.00 0.00 H new ATOM 0 HE3 TRP A 26 21.280 -9.858 1.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 24.548 -8.744 -2.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 20.998 -7.848 -0.038 1.00 0.00 H new ATOM 0 HH2 TRP A 26 22.607 -7.299 -1.813 1.00 0.00 H new ATOM 296 N ALA A 27 22.681 -15.304 1.012 1.00 0.00 N ATOM 297 CA ALA A 27 23.119 -16.356 0.099 1.00 0.00 C ATOM 298 C ALA A 27 21.919 -17.041 -0.537 1.00 0.00 C ATOM 299 O ALA A 27 21.886 -17.261 -1.745 1.00 0.00 O ATOM 300 CB ALA A 27 23.932 -17.402 0.846 1.00 0.00 C ATOM 0 H ALA A 27 22.888 -15.491 1.993 1.00 0.00 H new ATOM 0 HA ALA A 27 23.733 -15.894 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 27 24.251 -18.179 0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 27 24.808 -16.932 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 27 23.320 -17.846 1.631 1.00 0.00 H new ATOM 306 N MET A 28 20.939 -17.376 0.297 1.00 0.00 N ATOM 307 CA MET A 28 19.720 -18.039 -0.157 1.00 0.00 C ATOM 308 C MET A 28 18.879 -17.092 -0.997 1.00 0.00 C ATOM 309 O MET A 28 18.446 -17.437 -2.094 1.00 0.00 O ATOM 310 CB MET A 28 18.882 -18.498 1.038 1.00 0.00 C ATOM 311 CG MET A 28 17.620 -19.253 0.658 1.00 0.00 C ATOM 312 SD MET A 28 16.679 -19.803 2.094 1.00 0.00 S ATOM 313 CE MET A 28 16.051 -18.241 2.706 1.00 0.00 C ATOM 0 H MET A 28 20.966 -17.197 1.301 1.00 0.00 H new ATOM 0 HA MET A 28 20.015 -18.901 -0.755 1.00 0.00 H new ATOM 0 HB2 MET A 28 19.496 -19.135 1.675 1.00 0.00 H new ATOM 0 HB3 MET A 28 18.606 -17.626 1.631 1.00 0.00 H new ATOM 0 HG2 MET A 28 16.991 -18.613 0.040 1.00 0.00 H new ATOM 0 HG3 MET A 28 17.888 -20.118 0.051 1.00 0.00 H new ATOM 0 HE1 MET A 28 15.259 -18.426 3.431 1.00 0.00 H new ATOM 0 HE2 MET A 28 16.858 -17.687 3.185 1.00 0.00 H new ATOM 0 HE3 MET A 28 15.653 -17.658 1.875 1.00 0.00 H new ATOM 323 N VAL A 29 18.656 -15.894 -0.462 1.00 0.00 N ATOM 324 CA VAL A 29 17.868 -14.871 -1.142 1.00 0.00 C ATOM 325 C VAL A 29 18.546 -14.447 -2.434 1.00 0.00 C ATOM 326 O VAL A 29 17.917 -14.391 -3.488 1.00 0.00 O ATOM 327 CB VAL A 29 17.694 -13.617 -0.265 1.00 0.00 C ATOM 328 CG1 VAL A 29 17.053 -12.493 -1.065 1.00 0.00 C ATOM 329 CG2 VAL A 29 16.807 -13.922 0.932 1.00 0.00 C ATOM 0 H VAL A 29 19.014 -15.607 0.449 1.00 0.00 H new ATOM 0 HA VAL A 29 16.892 -15.310 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 29 18.683 -13.311 0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.937 -11.615 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.687 -12.245 -1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.075 -12.813 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.695 -13.024 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 29 15.827 -14.249 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 29 17.262 -14.711 1.530 1.00 0.00 H new ATOM 339 N VAL A 30 19.839 -14.149 -2.334 1.00 0.00 N ATOM 340 CA VAL A 30 20.633 -13.725 -3.482 1.00 0.00 C ATOM 341 C VAL A 30 20.578 -14.771 -4.584 1.00 0.00 C ATOM 342 O VAL A 30 20.452 -14.442 -5.761 1.00 0.00 O ATOM 343 CB VAL A 30 22.110 -13.517 -3.101 1.00 0.00 C ATOM 344 CG1 VAL A 30 22.954 -13.281 -4.344 1.00 0.00 C ATOM 345 CG2 VAL A 30 22.259 -12.313 -2.183 1.00 0.00 C ATOM 0 H VAL A 30 20.363 -14.194 -1.460 1.00 0.00 H new ATOM 0 HA VAL A 30 20.209 -12.782 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 30 22.450 -14.417 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.995 -13.136 -4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 30 22.878 -14.144 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 30 22.595 -12.393 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 30 23.309 -12.181 -1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 30 21.896 -11.420 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 30 21.679 -12.474 -1.275 1.00 0.00 H new ATOM 355 N VAL A 31 20.675 -16.035 -4.180 1.00 0.00 N ATOM 356 CA VAL A 31 20.640 -17.157 -5.114 1.00 0.00 C ATOM 357 C VAL A 31 19.227 -17.375 -5.633 1.00 0.00 C ATOM 358 O VAL A 31 19.012 -17.523 -6.833 1.00 0.00 O ATOM 359 CB VAL A 31 21.105 -18.464 -4.444 1.00 0.00 C ATOM 360 CG1 VAL A 31 20.886 -19.646 -5.375 1.00 0.00 C ATOM 361 CG2 VAL A 31 22.585 -18.389 -4.101 1.00 0.00 C ATOM 0 H VAL A 31 20.779 -16.309 -3.203 1.00 0.00 H new ATOM 0 HA VAL A 31 21.314 -16.907 -5.933 1.00 0.00 H new ATOM 0 HB VAL A 31 20.521 -18.597 -3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 31 21.220 -20.561 -4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.826 -19.729 -5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 31 21.455 -19.497 -6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 31 22.897 -19.321 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 31 23.162 -18.234 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 31 22.758 -17.559 -3.416 1.00 0.00 H new ATOM 371 N ILE A 32 18.272 -17.389 -4.708 1.00 0.00 N ATOM 372 CA ILE A 32 16.865 -17.586 -5.043 1.00 0.00 C ATOM 373 C ILE A 32 16.370 -16.467 -5.945 1.00 0.00 C ATOM 374 O ILE A 32 15.789 -16.715 -6.999 1.00 0.00 O ATOM 375 CB ILE A 32 15.981 -17.603 -3.782 1.00 0.00 C ATOM 376 CG1 ILE A 32 16.284 -18.840 -2.935 1.00 0.00 C ATOM 377 CG2 ILE A 32 14.509 -17.628 -4.163 1.00 0.00 C ATOM 378 CD1 ILE A 32 15.645 -18.813 -1.564 1.00 0.00 C ATOM 0 H ILE A 32 18.449 -17.265 -3.711 1.00 0.00 H new ATOM 0 HA ILE A 32 16.793 -18.547 -5.552 1.00 0.00 H new ATOM 0 HB ILE A 32 16.198 -16.701 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 32 15.941 -19.727 -3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 32 17.364 -18.935 -2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.899 -17.640 -3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 32 14.270 -16.741 -4.750 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.301 -18.521 -4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.905 -19.723 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 32 16.007 -17.946 -1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.562 -18.750 -1.669 1.00 0.00 H new ATOM 390 N VAL A 33 16.611 -15.231 -5.513 1.00 0.00 N ATOM 391 CA VAL A 33 16.201 -14.049 -6.263 1.00 0.00 C ATOM 392 C VAL A 33 17.109 -13.839 -7.465 1.00 0.00 C ATOM 393 O VAL A 33 16.640 -13.620 -8.579 1.00 0.00 O ATOM 394 CB VAL A 33 16.265 -12.779 -5.394 1.00 0.00 C ATOM 395 CG1 VAL A 33 16.013 -11.541 -6.241 1.00 0.00 C ATOM 396 CG2 VAL A 33 15.214 -12.832 -4.296 1.00 0.00 C ATOM 0 H VAL A 33 17.093 -15.023 -4.639 1.00 0.00 H new ATOM 0 HA VAL A 33 15.174 -14.219 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 33 17.260 -12.729 -4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.062 -10.653 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.771 -11.474 -7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.026 -11.608 -6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.273 -11.927 -3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.223 -12.905 -4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.391 -13.702 -3.664 1.00 0.00 H new ATOM 406 N GLY A 34 18.413 -13.909 -7.218 1.00 0.00 N ATOM 407 CA GLY A 34 19.415 -13.730 -8.265 1.00 0.00 C ATOM 408 C GLY A 34 19.483 -14.962 -9.153 1.00 0.00 C ATOM 409 O GLY A 34 19.384 -14.865 -10.374 1.00 0.00 O ATOM 0 H GLY A 34 18.804 -14.090 -6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 34 19.169 -12.854 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 34 20.390 -13.544 -7.815 1.00 0.00 H new ATOM 413 N ALA A 35 19.652 -16.119 -8.520 1.00 0.00 N ATOM 414 CA ALA A 35 19.737 -17.392 -9.230 1.00 0.00 C ATOM 415 C ALA A 35 18.379 -17.777 -9.797 1.00 0.00 C ATOM 416 O ALA A 35 18.241 -18.023 -10.993 1.00 0.00 O ATOM 417 CB ALA A 35 20.197 -18.495 -8.288 1.00 0.00 C ATOM 0 H ALA A 35 19.734 -16.201 -7.507 1.00 0.00 H new ATOM 0 HA ALA A 35 20.455 -17.275 -10.041 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.255 -19.438 -8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 35 21.180 -18.246 -7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.486 -18.593 -7.468 1.00 0.00 H new ATOM 423 N THR A 36 17.381 -17.825 -8.918 1.00 0.00 N ATOM 424 CA THR A 36 16.018 -18.178 -9.303 1.00 0.00 C ATOM 425 C THR A 36 15.455 -17.148 -10.266 1.00 0.00 C ATOM 426 O THR A 36 15.007 -17.485 -11.360 1.00 0.00 O ATOM 427 CB THR A 36 15.085 -18.243 -8.080 1.00 0.00 C ATOM 428 OG1 THR A 36 15.555 -19.245 -7.169 1.00 0.00 O ATOM 429 CG2 THR A 36 13.668 -18.593 -8.508 1.00 0.00 C ATOM 0 H THR A 36 17.493 -17.622 -7.925 1.00 0.00 H new ATOM 0 HA THR A 36 16.066 -19.159 -9.776 1.00 0.00 H new ATOM 0 HB THR A 36 15.082 -17.267 -7.595 1.00 0.00 H new ATOM 0 HG1 THR A 36 14.795 -19.626 -6.681 1.00 0.00 H new ATOM 0 HG21 THR A 36 13.023 -18.635 -7.631 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.297 -17.833 -9.195 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.667 -19.563 -9.005 1.00 0.00 H new ATOM 437 N ILE A 37 15.483 -15.887 -9.842 1.00 0.00 N ATOM 438 CA ILE A 37 14.978 -14.781 -10.649 1.00 0.00 C ATOM 439 C ILE A 37 15.937 -14.473 -11.788 1.00 0.00 C ATOM 440 O ILE A 37 15.516 -14.141 -12.895 1.00 0.00 O ATOM 441 CB ILE A 37 14.811 -13.500 -9.810 1.00 0.00 C ATOM 442 CG1 ILE A 37 13.704 -13.684 -8.771 1.00 0.00 C ATOM 443 CG2 ILE A 37 14.446 -12.323 -10.702 1.00 0.00 C ATOM 444 CD1 ILE A 37 13.637 -12.572 -7.746 1.00 0.00 C ATOM 0 H ILE A 37 15.854 -15.605 -8.935 1.00 0.00 H new ATOM 0 HA ILE A 37 14.008 -15.090 -11.038 1.00 0.00 H new ATOM 0 HB ILE A 37 15.759 -13.302 -9.309 1.00 0.00 H new ATOM 0 HG12 ILE A 37 12.745 -13.751 -9.284 1.00 0.00 H new ATOM 0 HG13 ILE A 37 13.857 -14.632 -8.255 1.00 0.00 H new ATOM 0 HG21 ILE A 37 14.332 -11.426 -10.093 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.236 -12.165 -11.437 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.509 -12.534 -11.217 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.828 -12.773 -7.044 1.00 0.00 H new ATOM 0 HD12 ILE A 37 14.582 -12.518 -7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 37 13.453 -11.623 -8.250 1.00 0.00 H new ATOM 456 N GLY A 38 17.229 -14.588 -11.498 1.00 0.00 N ATOM 457 CA GLY A 38 18.276 -14.327 -12.483 1.00 0.00 C ATOM 458 C GLY A 38 18.251 -15.380 -13.578 1.00 0.00 C ATOM 459 O GLY A 38 18.300 -15.060 -14.764 1.00 0.00 O ATOM 0 H GLY A 38 17.580 -14.863 -10.580 1.00 0.00 H new ATOM 0 HA2 GLY A 38 18.135 -13.338 -12.918 1.00 0.00 H new ATOM 0 HA3 GLY A 38 19.250 -14.325 -11.995 1.00 0.00 H new ATOM 463 N ILE A 39 18.175 -16.641 -13.161 1.00 0.00 N ATOM 464 CA ILE A 39 18.142 -17.768 -14.087 1.00 0.00 C ATOM 465 C ILE A 39 16.950 -17.655 -15.024 1.00 0.00 C ATOM 466 O ILE A 39 17.065 -17.897 -16.223 1.00 0.00 O ATOM 467 CB ILE A 39 18.030 -19.110 -13.339 1.00 0.00 C ATOM 468 CG1 ILE A 39 19.309 -19.387 -12.547 1.00 0.00 C ATOM 469 CG2 ILE A 39 17.814 -20.251 -14.322 1.00 0.00 C ATOM 470 CD1 ILE A 39 20.550 -19.486 -13.406 1.00 0.00 C ATOM 0 H ILE A 39 18.135 -16.909 -12.178 1.00 0.00 H new ATOM 0 HA ILE A 39 19.075 -17.741 -14.651 1.00 0.00 H new ATOM 0 HB ILE A 39 17.181 -19.044 -12.659 1.00 0.00 H new ATOM 0 HG12 ILE A 39 19.449 -18.594 -11.813 1.00 0.00 H new ATOM 0 HG13 ILE A 39 19.187 -20.317 -11.992 1.00 0.00 H new ATOM 0 HG21 ILE A 39 17.737 -21.192 -13.777 1.00 0.00 H new ATOM 0 HG22 ILE A 39 16.894 -20.080 -14.882 1.00 0.00 H new ATOM 0 HG23 ILE A 39 18.656 -20.300 -15.013 1.00 0.00 H new ATOM 0 HD11 ILE A 39 21.415 -19.683 -12.774 1.00 0.00 H new ATOM 0 HD12 ILE A 39 20.432 -20.298 -14.124 1.00 0.00 H new ATOM 0 HD13 ILE A 39 20.698 -18.548 -13.941 1.00 0.00 H new ATOM 482 N LYS A 40 15.807 -17.282 -14.455 1.00 0.00 N ATOM 483 CA LYS A 40 14.572 -17.126 -15.218 1.00 0.00 C ATOM 484 C LYS A 40 14.770 -16.140 -16.357 1.00 0.00 C ATOM 485 O LYS A 40 14.354 -16.388 -17.486 1.00 0.00 O ATOM 486 CB LYS A 40 13.449 -16.606 -14.319 1.00 0.00 C ATOM 487 CG LYS A 40 12.108 -16.461 -15.021 1.00 0.00 C ATOM 488 CD LYS A 40 11.028 -15.995 -14.058 1.00 0.00 C ATOM 489 CE LYS A 40 9.691 -15.836 -14.764 1.00 0.00 C ATOM 490 NZ LYS A 40 8.620 -15.391 -13.830 1.00 0.00 N ATOM 0 H LYS A 40 15.710 -17.081 -13.460 1.00 0.00 H new ATOM 0 HA LYS A 40 14.304 -18.104 -15.618 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.333 -17.283 -13.473 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.742 -15.637 -13.914 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.199 -15.748 -15.841 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.820 -17.416 -15.460 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.929 -16.713 -13.244 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.321 -15.045 -13.611 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.791 -15.112 -15.573 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.405 -16.785 -15.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.724 -15.294 -14.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.506 -16.094 -13.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.880 -14.473 -13.415 1.00 0.00 H new ATOM 504 N LEU A 41 15.412 -15.018 -16.042 1.00 0.00 N ATOM 505 CA LEU A 41 15.682 -13.971 -17.022 1.00 0.00 C ATOM 506 C LEU A 41 16.423 -14.542 -18.220 1.00 0.00 C ATOM 507 O LEU A 41 16.232 -14.098 -19.350 1.00 0.00 O ATOM 508 CB LEU A 41 16.541 -12.867 -16.403 1.00 0.00 C ATOM 509 CG LEU A 41 15.864 -11.994 -15.344 1.00 0.00 C ATOM 510 CD1 LEU A 41 16.863 -11.028 -14.726 1.00 0.00 C ATOM 511 CD2 LEU A 41 14.734 -11.182 -15.959 1.00 0.00 C ATOM 0 H LEU A 41 15.758 -14.810 -15.105 1.00 0.00 H new ATOM 0 HA LEU A 41 14.725 -13.559 -17.341 1.00 0.00 H new ATOM 0 HB2 LEU A 41 17.420 -13.329 -15.954 1.00 0.00 H new ATOM 0 HB3 LEU A 41 16.895 -12.219 -17.205 1.00 0.00 H new ATOM 0 HG LEU A 41 15.468 -12.659 -14.577 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.362 -10.417 -13.976 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.670 -11.590 -14.256 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.275 -10.384 -15.503 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.266 -10.568 -15.189 1.00 0.00 H new ATOM 0 HD22 LEU A 41 15.133 -10.539 -16.743 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.992 -11.857 -16.386 1.00 0.00 H new ATOM 523 N PHE A 42 17.270 -15.533 -17.954 1.00 0.00 N ATOM 524 CA PHE A 42 18.057 -16.187 -18.995 1.00 0.00 C ATOM 525 C PHE A 42 17.145 -16.856 -20.009 1.00 0.00 C ATOM 526 O PHE A 42 17.358 -16.749 -21.215 1.00 0.00 O ATOM 527 CB PHE A 42 18.969 -17.254 -18.386 1.00 0.00 C ATOM 528 CG PHE A 42 19.826 -17.966 -19.394 1.00 0.00 C ATOM 529 CD1 PHE A 42 20.962 -17.365 -19.906 1.00 0.00 C ATOM 530 CD2 PHE A 42 19.494 -19.237 -19.831 1.00 0.00 C ATOM 531 CE1 PHE A 42 21.750 -18.020 -20.833 1.00 0.00 C ATOM 532 CE2 PHE A 42 20.282 -19.892 -20.758 1.00 0.00 C ATOM 533 CZ PHE A 42 21.406 -19.289 -21.259 1.00 0.00 C ATOM 0 H PHE A 42 17.429 -15.903 -17.017 1.00 0.00 H new ATOM 0 HA PHE A 42 18.659 -15.423 -19.487 1.00 0.00 H new ATOM 0 HB2 PHE A 42 19.613 -16.786 -17.641 1.00 0.00 H new ATOM 0 HB3 PHE A 42 18.356 -17.987 -17.862 1.00 0.00 H new ATOM 0 HD1 PHE A 42 21.236 -16.373 -19.578 1.00 0.00 H new ATOM 0 HD2 PHE A 42 18.610 -19.722 -19.443 1.00 0.00 H new ATOM 0 HE1 PHE A 42 22.635 -17.540 -21.225 1.00 0.00 H new ATOM 0 HE2 PHE A 42 20.011 -20.884 -21.089 1.00 0.00 H new ATOM 0 HZ PHE A 42 22.020 -19.803 -21.983 1.00 0.00 H new ATOM 543 N LYS A 43 16.128 -17.547 -19.502 1.00 0.00 N ATOM 544 CA LYS A 43 15.163 -18.247 -20.344 1.00 0.00 C ATOM 545 C LYS A 43 14.271 -17.254 -21.072 1.00 0.00 C ATOM 546 O LYS A 43 13.999 -17.404 -22.260 1.00 0.00 O ATOM 547 CB LYS A 43 14.276 -19.162 -19.496 1.00 0.00 C ATOM 548 CG LYS A 43 14.998 -20.372 -18.927 1.00 0.00 C ATOM 549 CD LYS A 43 14.057 -21.242 -18.110 1.00 0.00 C ATOM 550 CE LYS A 43 14.779 -22.453 -17.541 1.00 0.00 C ATOM 551 NZ LYS A 43 13.872 -23.308 -16.726 1.00 0.00 N ATOM 0 H LYS A 43 15.950 -17.637 -18.502 1.00 0.00 H new ATOM 0 HA LYS A 43 15.723 -18.840 -21.067 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.856 -18.583 -18.674 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.439 -19.505 -20.104 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.426 -20.959 -19.740 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.827 -20.042 -18.301 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.630 -20.655 -17.297 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.227 -21.571 -18.736 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.198 -23.042 -18.357 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.615 -22.121 -16.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.402 -24.123 -16.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.492 -22.753 -15.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.088 -23.646 -17.319 1.00 0.00 H new ATOM 565 N LYS A 44 13.824 -16.238 -20.338 1.00 0.00 N ATOM 566 CA LYS A 44 12.958 -15.200 -20.888 1.00 0.00 C ATOM 567 C LYS A 44 13.754 -14.260 -21.779 1.00 0.00 C ATOM 568 O LYS A 44 13.323 -13.914 -22.877 1.00 0.00 O ATOM 569 CB LYS A 44 12.324 -14.379 -19.763 1.00 0.00 C ATOM 570 CG LYS A 44 11.362 -13.305 -20.244 1.00 0.00 C ATOM 571 CD LYS A 44 10.728 -12.568 -19.076 1.00 0.00 C ATOM 572 CE LYS A 44 9.778 -11.484 -19.557 1.00 0.00 C ATOM 573 NZ LYS A 44 9.140 -10.761 -18.423 1.00 0.00 N ATOM 0 H LYS A 44 14.050 -16.112 -19.351 1.00 0.00 H new ATOM 0 HA LYS A 44 12.179 -15.692 -21.471 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.793 -15.053 -19.091 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.116 -13.908 -19.181 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.893 -12.596 -20.879 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.583 -13.759 -20.856 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.187 -13.275 -18.447 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.508 -12.123 -18.458 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.323 -10.774 -20.179 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.006 -11.930 -20.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.500 -10.030 -18.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.599 -11.434 -17.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.875 -10.313 -17.839 1.00 0.00 H new ATOM 587 N PHE A 45 14.920 -13.854 -21.287 1.00 0.00 N ATOM 588 CA PHE A 45 15.804 -12.951 -22.019 1.00 0.00 C ATOM 589 C PHE A 45 16.504 -13.689 -23.149 1.00 0.00 C ATOM 590 O PHE A 45 16.623 -13.175 -24.259 1.00 0.00 O ATOM 591 CB PHE A 45 16.870 -12.373 -21.087 1.00 0.00 C ATOM 592 CG PHE A 45 17.798 -11.399 -21.757 1.00 0.00 C ATOM 593 CD1 PHE A 45 17.395 -10.100 -22.012 1.00 0.00 C ATOM 594 CD2 PHE A 45 19.074 -11.783 -22.132 1.00 0.00 C ATOM 595 CE1 PHE A 45 18.248 -9.205 -22.628 1.00 0.00 C ATOM 596 CE2 PHE A 45 19.927 -10.888 -22.748 1.00 0.00 C ATOM 597 CZ PHE A 45 19.519 -9.604 -22.997 1.00 0.00 C ATOM 0 H PHE A 45 15.278 -14.139 -20.375 1.00 0.00 H new ATOM 0 HA PHE A 45 15.192 -12.146 -22.426 1.00 0.00 H new ATOM 0 HB2 PHE A 45 16.378 -11.875 -20.251 1.00 0.00 H new ATOM 0 HB3 PHE A 45 17.457 -13.191 -20.670 1.00 0.00 H new ATOM 0 HD1 PHE A 45 16.403 -9.783 -21.726 1.00 0.00 H new ATOM 0 HD2 PHE A 45 19.406 -12.793 -21.941 1.00 0.00 H new ATOM 0 HE1 PHE A 45 17.922 -8.194 -22.821 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.920 -11.202 -23.035 1.00 0.00 H new ATOM 0 HZ PHE A 45 20.188 -8.907 -23.480 1.00 0.00 H new ATOM 607 N THR A 46 16.961 -14.900 -22.848 1.00 0.00 N ATOM 608 CA THR A 46 17.656 -15.737 -23.822 1.00 0.00 C ATOM 609 C THR A 46 16.669 -16.327 -24.816 1.00 0.00 C ATOM 610 O THR A 46 16.920 -16.344 -26.019 1.00 0.00 O ATOM 611 CB THR A 46 18.395 -16.903 -23.139 1.00 0.00 C ATOM 612 OG1 THR A 46 19.362 -16.385 -22.217 1.00 0.00 O ATOM 613 CG2 THR A 46 19.110 -17.759 -24.173 1.00 0.00 C ATOM 0 H THR A 46 16.861 -15.328 -21.928 1.00 0.00 H new ATOM 0 HA THR A 46 18.377 -15.098 -24.332 1.00 0.00 H new ATOM 0 HB THR A 46 17.663 -17.514 -22.611 1.00 0.00 H new ATOM 0 HG1 THR A 46 19.303 -16.876 -21.371 1.00 0.00 H new ATOM 0 HG21 THR A 46 19.627 -18.578 -23.673 1.00 0.00 H new ATOM 0 HG22 THR A 46 18.382 -18.165 -24.876 1.00 0.00 H new ATOM 0 HG23 THR A 46 19.834 -17.149 -24.713 1.00 0.00 H new ATOM 621 N SER A 47 15.545 -16.807 -24.295 1.00 0.00 N ATOM 622 CA SER A 47 14.497 -17.407 -25.116 1.00 0.00 C ATOM 623 C SER A 47 13.725 -16.330 -25.862 1.00 0.00 C ATOM 624 O SER A 47 13.414 -16.480 -27.041 1.00 0.00 O ATOM 625 CB SER A 47 13.515 -18.190 -24.243 1.00 0.00 C ATOM 626 OG SER A 47 12.485 -18.769 -25.026 1.00 0.00 O ATOM 0 H SER A 47 15.334 -16.792 -23.297 1.00 0.00 H new ATOM 0 HA SER A 47 14.976 -18.080 -25.828 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.048 -18.972 -23.702 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.079 -17.527 -23.496 1.00 0.00 H new ATOM 0 HG SER A 47 11.872 -19.265 -24.445 1.00 0.00 H new ATOM 632 N LYS A 48 13.422 -15.247 -25.154 1.00 0.00 N ATOM 633 CA LYS A 48 12.684 -14.123 -25.724 1.00 0.00 C ATOM 634 C LYS A 48 13.579 -13.309 -26.644 1.00 0.00 C ATOM 635 O LYS A 48 13.154 -12.868 -27.710 1.00 0.00 O ATOM 636 CB LYS A 48 12.167 -13.204 -24.615 1.00 0.00 C ATOM 637 CG LYS A 48 11.334 -12.035 -25.116 1.00 0.00 C ATOM 638 CD LYS A 48 10.808 -11.198 -23.962 1.00 0.00 C ATOM 639 CE LYS A 48 9.986 -10.021 -24.463 1.00 0.00 C ATOM 640 NZ LYS A 48 9.454 -9.198 -23.342 1.00 0.00 N ATOM 0 H LYS A 48 13.679 -15.123 -24.175 1.00 0.00 H new ATOM 0 HA LYS A 48 11.845 -14.529 -26.289 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.567 -13.792 -23.920 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.017 -12.816 -24.053 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.938 -11.411 -25.775 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.498 -12.408 -25.708 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.196 -11.820 -23.308 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.643 -10.833 -23.364 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.602 -9.397 -25.111 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.158 -10.388 -25.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.900 -8.406 -23.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.845 -9.786 -22.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.245 -8.826 -22.779 1.00 0.00 H new ATOM 654 N ALA A 49 14.824 -13.120 -26.215 1.00 0.00 N ATOM 655 CA ALA A 49 15.806 -12.361 -26.983 1.00 0.00 C ATOM 0 H ALA A 49 15.179 -13.486 -25.331 1.00 0.00 H new