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 Set 1.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 28 MET CE :methyl -153:sc= -0.0362 (180deg=-0.45) 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=-0.89) USER MOD Single : A 17 SER OG : rot 75:sc= 1.04 USER MOD Single : A 19 THR OG1 : rot 83:sc= -0.809! USER MOD Single : A 21 MET CE :methyl 166:sc=-0.00724 (180deg=-0.238) USER MOD Single : A 36 THR OG1 : rot -150:sc= -1.47 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 131:sc= 1 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 1.372 -51.303 78.519 1.00 0.00 C ATOM 2 C PRO A 6 2.352 -50.807 77.468 1.00 0.00 C ATOM 3 O PRO A 6 1.964 -50.155 76.501 1.00 0.00 O ATOM 5 N ALA A 7 3.628 -51.127 77.675 1.00 0.00 N ATOM 6 CA ALA A 7 4.692 -50.726 76.759 1.00 0.00 C ATOM 7 C ALA A 7 4.592 -51.504 75.456 1.00 0.00 C ATOM 8 O ALA A 7 4.836 -50.962 74.380 1.00 0.00 O ATOM 9 CB ALA A 7 6.055 -50.995 77.379 1.00 0.00 C ATOM 0 H ALA A 7 3.951 -51.668 78.477 1.00 0.00 H new ATOM 0 HA ALA A 7 4.580 -49.660 76.562 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.837 -50.691 76.684 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.152 -50.428 78.305 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.154 -52.059 77.593 1.00 0.00 H new ATOM 15 N LYS A 8 4.226 -52.779 75.573 1.00 0.00 N ATOM 16 CA LYS A 8 4.086 -53.658 74.416 1.00 0.00 C ATOM 17 C LYS A 8 3.198 -53.015 73.364 1.00 0.00 C ATOM 18 O LYS A 8 3.511 -53.033 72.176 1.00 0.00 O ATOM 19 CB LYS A 8 3.459 -54.991 74.829 1.00 0.00 C ATOM 20 CG LYS A 8 3.335 -55.996 73.695 1.00 0.00 C ATOM 21 CD LYS A 8 2.758 -57.314 74.186 1.00 0.00 C ATOM 22 CE LYS A 8 2.620 -58.314 73.049 1.00 0.00 C ATOM 23 NZ LYS A 8 2.067 -59.614 73.518 1.00 0.00 N ATOM 0 H LYS A 8 4.020 -53.228 76.465 1.00 0.00 H new ATOM 0 HA LYS A 8 5.081 -53.829 74.006 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.058 -55.431 75.626 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.468 -54.802 75.243 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.697 -55.587 72.912 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.315 -56.169 73.250 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.402 -57.729 74.962 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.783 -57.140 74.640 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.970 -57.900 72.278 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.595 -58.478 72.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.988 -60.268 72.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.700 -60.022 74.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.126 -59.461 73.933 1.00 0.00 H new ATOM 37 N ALA A 9 2.084 -52.448 73.820 1.00 0.00 N ATOM 38 CA ALA A 9 1.126 -51.788 72.937 1.00 0.00 C ATOM 39 C ALA A 9 1.686 -50.468 72.436 1.00 0.00 C ATOM 40 O ALA A 9 1.424 -50.058 71.307 1.00 0.00 O ATOM 41 CB ALA A 9 -0.173 -51.510 73.677 1.00 0.00 C ATOM 0 H ALA A 9 1.821 -52.433 74.805 1.00 0.00 H new ATOM 0 HA ALA A 9 0.937 -52.452 72.094 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.876 -51.018 73.005 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.601 -52.450 74.026 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.026 -50.863 74.531 1.00 0.00 H new ATOM 47 N ALA A 10 2.462 -49.809 73.292 1.00 0.00 N ATOM 48 CA ALA A 10 3.076 -48.527 72.962 1.00 0.00 C ATOM 49 C ALA A 10 4.132 -48.704 71.884 1.00 0.00 C ATOM 50 O ALA A 10 4.173 -47.954 70.911 1.00 0.00 O ATOM 51 CB ALA A 10 3.739 -47.925 74.191 1.00 0.00 C ATOM 0 H ALA A 10 2.682 -50.147 74.229 1.00 0.00 H new ATOM 0 HA ALA A 10 2.290 -47.864 72.602 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.192 -46.969 73.928 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.991 -47.770 74.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.509 -48.603 74.558 1.00 0.00 H new ATOM 57 N PHE A 11 4.984 -49.708 72.073 1.00 0.00 N ATOM 58 CA PHE A 11 6.057 -50.009 71.129 1.00 0.00 C ATOM 59 C PHE A 11 5.493 -50.652 69.873 1.00 0.00 C ATOM 60 O PHE A 11 5.894 -50.320 68.759 1.00 0.00 O ATOM 61 CB PHE A 11 7.067 -50.973 71.755 1.00 0.00 C ATOM 62 CG PHE A 11 8.227 -51.302 70.859 1.00 0.00 C ATOM 63 CD1 PHE A 11 9.268 -50.405 70.694 1.00 0.00 C ATOM 64 CD2 PHE A 11 8.277 -52.507 70.182 1.00 0.00 C ATOM 65 CE1 PHE A 11 10.335 -50.708 69.870 1.00 0.00 C ATOM 66 CE2 PHE A 11 9.344 -52.810 69.358 1.00 0.00 C ATOM 67 CZ PHE A 11 10.371 -51.916 69.200 1.00 0.00 C ATOM 0 H PHE A 11 4.951 -50.332 72.879 1.00 0.00 H new ATOM 0 HA PHE A 11 6.551 -49.071 70.875 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.446 -50.537 72.679 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.555 -51.897 72.025 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.246 -49.459 71.214 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.473 -53.219 70.299 1.00 0.00 H new ATOM 0 HE1 PHE A 11 11.142 -50.000 69.749 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.369 -53.755 68.836 1.00 0.00 H new ATOM 0 HZ PHE A 11 11.204 -52.155 68.555 1.00 0.00 H new ATOM 77 N ASP A 12 4.557 -51.577 70.071 1.00 0.00 N ATOM 78 CA ASP A 12 3.916 -52.287 68.968 1.00 0.00 C ATOM 79 C ASP A 12 2.959 -51.369 68.226 1.00 0.00 C ATOM 80 O ASP A 12 2.854 -51.421 67.003 1.00 0.00 O ATOM 81 CB ASP A 12 3.125 -53.487 69.491 1.00 0.00 C ATOM 82 CG ASP A 12 2.616 -54.381 68.377 1.00 0.00 C ATOM 83 OD1 ASP A 12 3.443 -54.850 67.568 1.00 0.00 O ATOM 84 OD2 ASP A 12 1.390 -54.611 68.313 1.00 0.00 O ATOM 0 H ASP A 12 4.223 -51.854 70.994 1.00 0.00 H new ATOM 0 HA ASP A 12 4.701 -52.626 68.292 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.758 -54.071 70.160 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.280 -53.131 70.081 1.00 0.00 H new ATOM 90 N SER A 13 2.265 -50.526 68.986 1.00 0.00 N ATOM 91 CA SER A 13 1.305 -49.579 68.427 1.00 0.00 C ATOM 92 C SER A 13 2.014 -48.560 67.549 1.00 0.00 C ATOM 93 O SER A 13 1.562 -48.253 66.447 1.00 0.00 O ATOM 94 CB SER A 13 0.577 -48.831 69.546 1.00 0.00 C ATOM 95 OG SER A 13 -0.359 -47.908 69.017 1.00 0.00 O ATOM 0 H SER A 13 2.351 -50.480 70.001 1.00 0.00 H new ATOM 0 HA SER A 13 0.587 -50.144 67.833 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.064 -49.545 70.191 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.302 -48.304 70.167 1.00 0.00 H new ATOM 0 HG SER A 13 -0.812 -47.444 69.752 1.00 0.00 H new ATOM 101 N LEU A 14 3.130 -48.041 68.054 1.00 0.00 N ATOM 102 CA LEU A 14 3.928 -47.052 67.335 1.00 0.00 C ATOM 103 C LEU A 14 4.513 -47.656 66.070 1.00 0.00 C ATOM 104 O LEU A 14 4.433 -47.070 64.994 1.00 0.00 O ATOM 105 CB LEU A 14 5.080 -46.555 68.210 1.00 0.00 C ATOM 106 CG LEU A 14 5.992 -45.493 67.591 1.00 0.00 C ATOM 107 CD1 LEU A 14 5.215 -44.219 67.302 1.00 0.00 C ATOM 108 CD2 LEU A 14 7.135 -45.150 68.535 1.00 0.00 C ATOM 0 H LEU A 14 3.505 -48.293 68.969 1.00 0.00 H new ATOM 0 HA LEU A 14 3.272 -46.220 67.078 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.660 -46.151 69.131 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.693 -47.412 68.488 1.00 0.00 H new ATOM 0 HG LEU A 14 6.388 -45.904 66.662 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.882 -43.478 66.862 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.405 -44.437 66.605 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.799 -43.828 68.231 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.771 -44.393 68.076 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.731 -44.765 69.471 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.723 -46.046 68.735 1.00 0.00 H new ATOM 120 N GLN A 15 5.103 -48.840 66.219 1.00 0.00 N ATOM 121 CA GLN A 15 5.717 -49.552 65.101 1.00 0.00 C ATOM 122 C GLN A 15 4.716 -49.731 63.971 1.00 0.00 C ATOM 123 O GLN A 15 5.052 -49.579 62.799 1.00 0.00 O ATOM 124 CB GLN A 15 6.198 -50.935 65.546 1.00 0.00 C ATOM 125 CG GLN A 15 6.927 -51.716 64.464 1.00 0.00 C ATOM 126 CD GLN A 15 7.445 -53.052 64.959 1.00 0.00 C ATOM 127 OE1 GLN A 15 7.248 -53.413 66.120 1.00 0.00 O ATOM 128 NE2 GLN A 15 8.109 -53.790 64.079 1.00 0.00 N ATOM 0 H GLN A 15 5.169 -49.330 67.111 1.00 0.00 H new ATOM 0 HA GLN A 15 6.564 -48.960 64.754 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.860 -50.819 66.404 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.339 -51.516 65.882 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.253 -51.881 63.623 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.762 -51.122 64.092 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.247 -53.448 63.128 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.481 -54.699 64.354 1.00 0.00 H new ATOM 137 N ALA A 16 3.480 -50.057 64.345 1.00 0.00 N ATOM 138 CA ALA A 16 2.402 -50.263 63.380 1.00 0.00 C ATOM 139 C ALA A 16 1.957 -48.937 62.787 1.00 0.00 C ATOM 140 O ALA A 16 1.831 -48.799 61.572 1.00 0.00 O ATOM 141 CB ALA A 16 1.205 -50.915 64.054 1.00 0.00 C ATOM 0 H ALA A 16 3.199 -50.185 65.317 1.00 0.00 H new ATOM 0 HA ALA A 16 2.781 -50.911 62.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.411 -51.062 63.322 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.501 -51.879 64.467 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.844 -50.272 64.857 1.00 0.00 H new ATOM 147 N SER A 17 1.719 -47.967 63.664 1.00 0.00 N ATOM 148 CA SER A 17 1.283 -46.634 63.255 1.00 0.00 C ATOM 149 C SER A 17 2.277 -46.027 62.278 1.00 0.00 C ATOM 150 O SER A 17 1.907 -45.611 61.182 1.00 0.00 O ATOM 151 CB SER A 17 1.172 -45.710 64.470 1.00 0.00 C ATOM 152 OG SER A 17 0.143 -46.139 65.344 1.00 0.00 O ATOM 0 H SER A 17 1.822 -48.080 64.672 1.00 0.00 H new ATOM 0 HA SER A 17 0.308 -46.734 62.777 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.122 -45.690 65.004 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.971 -44.691 64.139 1.00 0.00 H new ATOM 0 HG SER A 17 0.445 -46.927 65.842 1.00 0.00 H new ATOM 158 N ALA A 18 3.541 -45.985 62.691 1.00 0.00 N ATOM 159 CA ALA A 18 4.613 -45.434 61.870 1.00 0.00 C ATOM 160 C ALA A 18 4.896 -46.340 60.684 1.00 0.00 C ATOM 161 O ALA A 18 5.308 -45.881 59.622 1.00 0.00 O ATOM 162 CB ALA A 18 5.889 -45.297 62.686 1.00 0.00 C ATOM 0 H ALA A 18 3.849 -46.330 63.600 1.00 0.00 H new ATOM 0 HA ALA A 18 4.291 -44.454 61.517 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.679 -44.884 62.059 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.711 -44.631 63.531 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.192 -46.277 63.054 1.00 0.00 H new ATOM 168 N THR A 19 4.668 -47.637 60.883 1.00 0.00 N ATOM 169 CA THR A 19 4.890 -48.637 59.844 1.00 0.00 C ATOM 170 C THR A 19 3.794 -48.564 58.792 1.00 0.00 C ATOM 171 O THR A 19 4.071 -48.469 57.598 1.00 0.00 O ATOM 172 CB THR A 19 4.894 -50.063 60.425 1.00 0.00 C ATOM 173 OG1 THR A 19 5.963 -50.194 61.371 1.00 0.00 O ATOM 174 CG2 THR A 19 5.088 -51.089 59.318 1.00 0.00 C ATOM 0 H THR A 19 4.326 -48.021 61.764 1.00 0.00 H new ATOM 0 HA THR A 19 5.862 -48.422 59.400 1.00 0.00 H new ATOM 0 HB THR A 19 3.936 -50.240 60.914 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.678 -49.836 62.238 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.088 -52.091 59.747 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.276 -51.003 58.596 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.039 -50.908 58.817 1.00 0.00 H new ATOM 182 N GLU A 20 2.549 -48.610 59.256 1.00 0.00 N ATOM 183 CA GLU A 20 1.385 -48.551 58.375 1.00 0.00 C ATOM 184 C GLU A 20 1.350 -47.231 57.627 1.00 0.00 C ATOM 185 O GLU A 20 1.061 -47.187 56.434 1.00 0.00 O ATOM 186 CB GLU A 20 0.093 -48.682 59.184 1.00 0.00 C ATOM 187 CG GLU A 20 -0.125 -50.061 59.786 1.00 0.00 C ATOM 188 CD GLU A 20 -1.386 -50.138 60.623 1.00 0.00 C ATOM 189 OE1 GLU A 20 -2.063 -49.099 60.776 1.00 0.00 O ATOM 190 OE2 GLU A 20 -1.698 -51.237 61.128 1.00 0.00 O ATOM 0 H GLU A 20 2.318 -48.689 60.246 1.00 0.00 H new ATOM 0 HA GLU A 20 1.463 -49.376 57.667 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.103 -47.944 59.986 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.753 -48.441 58.540 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.179 -50.799 58.985 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.734 -50.324 60.404 1.00 0.00 H new ATOM 198 N MET A 21 1.650 -46.154 58.349 1.00 0.00 N ATOM 199 CA MET A 21 1.660 -44.810 57.777 1.00 0.00 C ATOM 200 C MET A 21 2.747 -44.688 56.721 1.00 0.00 C ATOM 201 O MET A 21 2.560 -44.035 55.697 1.00 0.00 O ATOM 202 CB MET A 21 1.924 -43.767 58.865 1.00 0.00 C ATOM 203 CG MET A 21 1.868 -42.330 58.373 1.00 0.00 C ATOM 204 SD MET A 21 2.153 -41.132 59.690 1.00 0.00 S ATOM 205 CE MET A 21 3.897 -41.387 60.009 1.00 0.00 C ATOM 0 H MET A 21 1.891 -46.187 59.339 1.00 0.00 H new ATOM 0 HA MET A 21 0.684 -44.635 57.325 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.192 -43.896 59.662 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.906 -43.953 59.301 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.614 -42.189 57.591 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.894 -42.143 57.921 1.00 0.00 H new ATOM 0 HE1 MET A 21 4.281 -40.564 60.612 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.035 -42.325 60.546 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.438 -41.427 59.063 1.00 0.00 H new ATOM 215 N ILE A 22 3.880 -45.328 56.988 1.00 0.00 N ATOM 216 CA ILE A 22 5.021 -45.310 56.075 1.00 0.00 C ATOM 217 C ILE A 22 4.616 -45.844 54.711 1.00 0.00 C ATOM 218 O ILE A 22 5.140 -45.414 53.685 1.00 0.00 O ATOM 219 CB ILE A 22 6.178 -46.179 56.601 1.00 0.00 C ATOM 220 CG1 ILE A 22 7.468 -45.867 55.839 1.00 0.00 C ATOM 221 CG2 ILE A 22 5.859 -47.656 56.423 1.00 0.00 C ATOM 222 CD1 ILE A 22 8.711 -46.446 56.480 1.00 0.00 C ATOM 0 H ILE A 22 4.035 -45.871 57.837 1.00 0.00 H new ATOM 0 HA ILE A 22 5.351 -44.274 55.998 1.00 0.00 H new ATOM 0 HB ILE A 22 6.309 -45.955 57.660 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.381 -46.252 54.823 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.581 -44.786 55.761 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.688 -48.255 56.800 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.952 -47.902 56.976 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.708 -47.871 55.365 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.584 -46.183 55.883 1.00 0.00 H new ATOM 0 HD12 ILE A 22 8.824 -46.042 57.486 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.621 -47.531 56.533 1.00 0.00 H new ATOM 234 N GLY A 23 3.681 -46.790 54.717 1.00 0.00 N ATOM 235 CA GLY A 23 3.184 -47.405 53.490 1.00 0.00 C ATOM 236 C GLY A 23 2.324 -46.422 52.711 1.00 0.00 C ATOM 237 O GLY A 23 2.297 -46.445 51.483 1.00 0.00 O ATOM 0 H GLY A 23 3.249 -47.150 55.568 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.022 -47.731 52.874 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.602 -48.294 53.732 1.00 0.00 H new ATOM 241 N TYR A 24 1.625 -45.563 53.446 1.00 0.00 N ATOM 242 CA TYR A 24 0.751 -44.557 52.850 1.00 0.00 C ATOM 243 C TYR A 24 1.564 -43.550 52.054 1.00 0.00 C ATOM 244 O TYR A 24 1.219 -43.212 50.924 1.00 0.00 O ATOM 245 CB TYR A 24 -0.020 -43.805 53.937 1.00 0.00 C ATOM 246 CG TYR A 24 -0.941 -42.731 53.403 1.00 0.00 C ATOM 247 CD1 TYR A 24 -2.168 -43.061 52.843 1.00 0.00 C ATOM 248 CD2 TYR A 24 -0.580 -41.391 53.462 1.00 0.00 C ATOM 249 CE1 TYR A 24 -3.016 -42.087 52.352 1.00 0.00 C ATOM 250 CE2 TYR A 24 -1.416 -40.403 52.977 1.00 0.00 C ATOM 251 CZ TYR A 24 -2.642 -40.762 52.419 1.00 0.00 C ATOM 252 OH TYR A 24 -3.485 -39.790 51.932 1.00 0.00 O ATOM 0 H TYR A 24 1.647 -45.544 54.466 1.00 0.00 H new ATOM 0 HA TYR A 24 0.053 -45.073 52.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.607 -44.520 54.513 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.692 -43.350 54.625 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.465 -44.098 52.790 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.371 -41.116 53.894 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.966 -42.362 51.918 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.123 -39.365 53.030 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.074 -38.909 52.055 1.00 0.00 H new ATOM 262 N ALA A 25 2.651 -43.079 52.660 1.00 0.00 N ATOM 263 CA ALA A 25 3.537 -42.106 52.029 1.00 0.00 C ATOM 264 C ALA A 25 4.110 -42.666 50.737 1.00 0.00 C ATOM 265 O ALA A 25 4.083 -42.009 49.699 1.00 0.00 O ATOM 266 CB ALA A 25 4.691 -41.760 52.957 1.00 0.00 C ATOM 0 H ALA A 25 2.941 -43.359 53.597 1.00 0.00 H new ATOM 0 HA ALA A 25 2.952 -41.212 51.816 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.343 -41.033 52.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.300 -41.336 53.882 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.259 -42.662 53.183 1.00 0.00 H new ATOM 272 N TRP A 26 4.627 -43.890 50.820 1.00 0.00 N ATOM 273 CA TRP A 26 5.213 -44.566 49.668 1.00 0.00 C ATOM 274 C TRP A 26 4.166 -44.782 48.587 1.00 0.00 C ATOM 275 O TRP A 26 4.430 -44.575 47.404 1.00 0.00 O ATOM 276 CB TRP A 26 5.775 -45.929 50.076 1.00 0.00 C ATOM 277 CG TRP A 26 6.404 -46.682 48.943 1.00 0.00 C ATOM 278 CD1 TRP A 26 5.876 -47.748 48.274 1.00 0.00 C ATOM 279 CD2 TRP A 26 7.681 -46.424 48.346 1.00 0.00 C ATOM 280 NE1 TRP A 26 6.744 -48.172 47.297 1.00 0.00 N ATOM 281 CE2 TRP A 26 7.861 -47.374 47.321 1.00 0.00 C ATOM 282 CE3 TRP A 26 8.689 -45.484 48.577 1.00 0.00 C ATOM 283 CZ2 TRP A 26 9.007 -47.411 46.529 1.00 0.00 C ATOM 284 CZ3 TRP A 26 9.824 -45.524 47.789 1.00 0.00 C ATOM 285 CH2 TRP A 26 9.977 -46.478 46.778 1.00 0.00 C ATOM 0 H TRP A 26 4.651 -44.436 51.681 1.00 0.00 H new ATOM 0 HA TRP A 26 6.015 -43.934 49.285 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.516 -45.786 50.862 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.972 -46.532 50.500 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.915 -48.194 48.482 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.585 -48.952 46.659 1.00 0.00 H new ATOM 0 HE3 TRP A 26 8.583 -44.742 49.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.125 -48.148 45.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 10.610 -44.803 47.958 1.00 0.00 H new ATOM 0 HH2 TRP A 26 10.878 -46.479 46.182 1.00 0.00 H new ATOM 296 N ALA A 27 2.980 -45.203 49.012 1.00 0.00 N ATOM 297 CA ALA A 27 1.869 -45.457 48.099 1.00 0.00 C ATOM 298 C ALA A 27 1.396 -44.159 47.463 1.00 0.00 C ATOM 299 O ALA A 27 1.184 -44.090 46.255 1.00 0.00 O ATOM 300 CB ALA A 27 0.701 -46.082 48.846 1.00 0.00 C ATOM 0 H ALA A 27 2.761 -45.377 49.993 1.00 0.00 H new ATOM 0 HA ALA A 27 2.221 -46.140 47.326 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.119 -46.265 48.152 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.017 -47.025 49.291 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.367 -45.404 49.631 1.00 0.00 H new ATOM 306 N MET A 28 1.230 -43.138 48.297 1.00 0.00 N ATOM 307 CA MET A 28 0.782 -41.824 47.843 1.00 0.00 C ATOM 308 C MET A 28 1.856 -41.154 47.003 1.00 0.00 C ATOM 309 O MET A 28 1.589 -40.670 45.906 1.00 0.00 O ATOM 310 CB MET A 28 0.472 -40.921 49.039 1.00 0.00 C ATOM 311 CG MET A 28 -0.752 -41.344 49.835 1.00 0.00 C ATOM 312 SD MET A 28 -2.265 -41.310 48.855 1.00 0.00 S ATOM 313 CE MET A 28 -2.459 -39.548 48.593 1.00 0.00 C ATOM 0 H MET A 28 1.401 -43.196 49.301 1.00 0.00 H new ATOM 0 HA MET A 28 -0.117 -41.970 47.245 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.336 -40.906 49.703 1.00 0.00 H new ATOM 0 HB3 MET A 28 0.326 -39.901 48.683 1.00 0.00 H new ATOM 0 HG2 MET A 28 -0.598 -42.351 50.223 1.00 0.00 H new ATOM 0 HG3 MET A 28 -0.866 -40.685 50.696 1.00 0.00 H new ATOM 0 HE1 MET A 28 -3.514 -39.315 48.450 1.00 0.00 H new ATOM 0 HE2 MET A 28 -2.083 -39.007 49.462 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.898 -39.248 47.708 1.00 0.00 H new ATOM 323 N VAL A 29 3.075 -41.135 47.538 1.00 0.00 N ATOM 324 CA VAL A 29 4.216 -40.531 46.858 1.00 0.00 C ATOM 325 C VAL A 29 4.519 -41.271 45.566 1.00 0.00 C ATOM 326 O VAL A 29 4.681 -40.659 44.512 1.00 0.00 O ATOM 327 CB VAL A 29 5.482 -40.572 47.734 1.00 0.00 C ATOM 328 CG1 VAL A 29 6.698 -40.129 46.935 1.00 0.00 C ATOM 329 CG2 VAL A 29 5.331 -39.646 48.932 1.00 0.00 C ATOM 0 H VAL A 29 3.298 -41.535 48.449 1.00 0.00 H new ATOM 0 HA VAL A 29 3.948 -39.495 46.652 1.00 0.00 H new ATOM 0 HB VAL A 29 5.617 -41.599 48.074 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.583 -40.164 47.570 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.836 -40.795 46.083 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.548 -39.110 46.579 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.235 -39.687 49.540 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.174 -38.625 48.585 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.476 -39.962 49.530 1.00 0.00 H new ATOM 339 N VAL A 30 4.596 -42.595 45.666 1.00 0.00 N ATOM 340 CA VAL A 30 4.881 -43.449 44.518 1.00 0.00 C ATOM 341 C VAL A 30 3.859 -43.219 43.416 1.00 0.00 C ATOM 342 O VAL A 30 4.204 -43.150 42.239 1.00 0.00 O ATOM 343 CB VAL A 30 4.838 -44.940 44.899 1.00 0.00 C ATOM 344 CG1 VAL A 30 4.929 -45.811 43.656 1.00 0.00 C ATOM 345 CG2 VAL A 30 6.000 -45.289 45.817 1.00 0.00 C ATOM 0 H VAL A 30 4.463 -43.104 46.540 1.00 0.00 H new ATOM 0 HA VAL A 30 5.882 -43.190 44.172 1.00 0.00 H new ATOM 0 HB VAL A 30 3.894 -45.124 45.411 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.897 -46.862 43.945 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.091 -45.591 42.995 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.865 -45.606 43.136 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.954 -46.347 46.076 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.941 -45.081 45.308 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.939 -44.690 46.725 1.00 0.00 H new ATOM 355 N VAL A 31 2.596 -43.102 43.820 1.00 0.00 N ATOM 356 CA VAL A 31 1.496 -42.879 42.886 1.00 0.00 C ATOM 357 C VAL A 31 1.519 -41.449 42.367 1.00 0.00 C ATOM 358 O VAL A 31 1.409 -41.213 41.167 1.00 0.00 O ATOM 359 CB VAL A 31 0.130 -43.118 43.556 1.00 0.00 C ATOM 360 CG1 VAL A 31 -0.999 -42.703 42.625 1.00 0.00 C ATOM 361 CG2 VAL A 31 -0.046 -44.589 43.899 1.00 0.00 C ATOM 0 H VAL A 31 2.308 -43.159 44.797 1.00 0.00 H new ATOM 0 HA VAL A 31 1.628 -43.585 42.066 1.00 0.00 H new ATOM 0 HB VAL A 31 0.098 -42.520 44.467 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.957 -42.879 43.114 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.902 -41.644 42.386 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.948 -43.289 41.707 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.017 -44.739 44.372 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.010 -45.184 42.988 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.743 -44.900 44.584 1.00 0.00 H new ATOM 371 N ILE A 32 1.667 -40.506 43.292 1.00 0.00 N ATOM 372 CA ILE A 32 1.709 -39.086 42.957 1.00 0.00 C ATOM 373 C ILE A 32 2.895 -38.786 42.055 1.00 0.00 C ATOM 374 O ILE A 32 2.748 -38.171 41.001 1.00 0.00 O ATOM 375 CB ILE A 32 1.841 -38.212 44.218 1.00 0.00 C ATOM 376 CG1 ILE A 32 0.570 -38.303 45.065 1.00 0.00 C ATOM 377 CG2 ILE A 32 2.063 -36.757 43.837 1.00 0.00 C ATOM 378 CD1 ILE A 32 0.704 -37.677 46.436 1.00 0.00 C ATOM 0 H ILE A 32 1.761 -40.702 44.289 1.00 0.00 H new ATOM 0 HA ILE A 32 0.773 -38.854 42.449 1.00 0.00 H new ATOM 0 HB ILE A 32 2.694 -38.577 44.789 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.246 -37.816 44.532 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.295 -39.352 45.180 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.154 -36.154 44.741 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.977 -36.670 43.249 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.218 -36.402 43.248 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.237 -37.781 46.977 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.498 -38.179 46.989 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.948 -36.620 46.331 1.00 0.00 H new ATOM 390 N VAL A 33 4.073 -39.231 42.487 1.00 0.00 N ATOM 391 CA VAL A 33 5.306 -39.026 41.737 1.00 0.00 C ATOM 392 C VAL A 33 5.361 -39.956 40.535 1.00 0.00 C ATOM 393 O VAL A 33 5.656 -39.531 39.421 1.00 0.00 O ATOM 394 CB VAL A 33 6.547 -39.302 42.605 1.00 0.00 C ATOM 395 CG1 VAL A 33 7.810 -39.263 41.758 1.00 0.00 C ATOM 396 CG2 VAL A 33 6.673 -38.257 43.703 1.00 0.00 C ATOM 0 H VAL A 33 4.198 -39.741 43.362 1.00 0.00 H new ATOM 0 HA VAL A 33 5.310 -37.985 41.415 1.00 0.00 H new ATOM 0 HB VAL A 33 6.428 -40.291 43.047 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.677 -39.460 42.388 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.748 -40.022 40.978 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.911 -38.279 41.300 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.556 -38.468 44.307 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.768 -37.268 43.255 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.786 -38.285 44.336 1.00 0.00 H new ATOM 406 N GLY A 34 5.072 -41.230 40.782 1.00 0.00 N ATOM 407 CA GLY A 34 5.081 -42.248 39.735 1.00 0.00 C ATOM 408 C GLY A 34 3.855 -42.108 38.847 1.00 0.00 C ATOM 409 O GLY A 34 3.968 -42.027 37.626 1.00 0.00 O ATOM 0 H GLY A 34 4.827 -41.585 41.706 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.985 -42.152 39.134 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.100 -43.241 40.185 1.00 0.00 H new ATOM 413 N ALA A 35 2.686 -42.079 39.480 1.00 0.00 N ATOM 414 CA ALA A 35 1.416 -41.949 38.770 1.00 0.00 C ATOM 415 C ALA A 35 1.264 -40.545 38.203 1.00 0.00 C ATOM 416 O ALA A 35 1.046 -40.369 37.007 1.00 0.00 O ATOM 417 CB ALA A 35 0.252 -42.217 39.712 1.00 0.00 C ATOM 0 H ALA A 35 2.591 -42.144 40.493 1.00 0.00 H new ATOM 0 HA ALA A 35 1.411 -42.677 37.959 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.687 -42.116 39.168 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.333 -43.228 40.112 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.275 -41.499 40.532 1.00 0.00 H new ATOM 423 N THR A 36 1.386 -39.554 39.082 1.00 0.00 N ATOM 424 CA THR A 36 1.268 -38.151 38.697 1.00 0.00 C ATOM 425 C THR A 36 2.378 -37.769 37.734 1.00 0.00 C ATOM 426 O THR A 36 2.121 -37.270 36.640 1.00 0.00 O ATOM 427 CB THR A 36 1.361 -37.220 39.920 1.00 0.00 C ATOM 428 OG1 THR A 36 0.294 -37.514 40.831 1.00 0.00 O ATOM 429 CG2 THR A 36 1.256 -35.765 39.492 1.00 0.00 C ATOM 0 H THR A 36 1.568 -39.699 40.075 1.00 0.00 H new ATOM 0 HA THR A 36 0.293 -38.034 38.223 1.00 0.00 H new ATOM 0 HB THR A 36 2.324 -37.382 40.405 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.047 -36.701 41.319 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.324 -35.122 40.369 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.068 -35.528 38.805 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.300 -35.600 38.994 1.00 0.00 H new ATOM 437 N ILE A 37 3.616 -38.009 38.158 1.00 0.00 N ATOM 438 CA ILE A 37 4.791 -37.697 37.351 1.00 0.00 C ATOM 439 C ILE A 37 4.933 -38.694 36.212 1.00 0.00 C ATOM 440 O ILE A 37 5.331 -38.336 35.105 1.00 0.00 O ATOM 441 CB ILE A 37 6.082 -37.748 38.190 1.00 0.00 C ATOM 442 CG1 ILE A 37 6.087 -36.625 39.229 1.00 0.00 C ATOM 443 CG2 ILE A 37 7.303 -37.586 37.298 1.00 0.00 C ATOM 444 CD1 ILE A 37 7.194 -36.747 40.253 1.00 0.00 C ATOM 0 H ILE A 37 3.832 -38.423 39.065 1.00 0.00 H new ATOM 0 HA ILE A 37 4.650 -36.689 36.962 1.00 0.00 H new ATOM 0 HB ILE A 37 6.117 -38.716 38.691 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.183 -35.668 38.716 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.127 -36.615 39.745 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.206 -37.624 37.907 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.326 -38.391 36.563 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.253 -36.626 36.783 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.133 -35.916 40.956 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.088 -37.688 40.794 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.160 -36.726 39.749 1.00 0.00 H new ATOM 456 N GLY A 38 4.602 -39.949 36.502 1.00 0.00 N ATOM 457 CA GLY A 38 4.684 -41.025 35.517 1.00 0.00 C ATOM 458 C GLY A 38 3.650 -40.823 34.422 1.00 0.00 C ATOM 459 O GLY A 38 3.957 -40.925 33.236 1.00 0.00 O ATOM 0 H GLY A 38 4.272 -40.248 37.419 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.683 -41.052 35.082 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.523 -41.986 36.005 1.00 0.00 H new ATOM 463 N ILE A 39 2.420 -40.536 34.839 1.00 0.00 N ATOM 464 CA ILE A 39 1.314 -40.314 33.913 1.00 0.00 C ATOM 465 C ILE A 39 1.626 -39.158 32.976 1.00 0.00 C ATOM 466 O ILE A 39 1.368 -39.230 31.777 1.00 0.00 O ATOM 467 CB ILE A 39 0.011 -39.978 34.661 1.00 0.00 C ATOM 468 CG1 ILE A 39 -0.478 -41.192 35.454 1.00 0.00 C ATOM 469 CG2 ILE A 39 -1.078 -39.573 33.679 1.00 0.00 C ATOM 470 CD1 ILE A 39 -0.784 -42.399 34.594 1.00 0.00 C ATOM 0 H ILE A 39 2.163 -40.451 35.822 1.00 0.00 H new ATOM 0 HA ILE A 39 1.184 -41.238 33.350 1.00 0.00 H new ATOM 0 HB ILE A 39 0.221 -39.152 35.341 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.280 -41.464 36.189 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.375 -40.915 36.008 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.992 -39.339 34.225 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.755 -38.695 33.119 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.269 -40.394 32.988 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.125 -43.219 35.226 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.564 -42.146 33.876 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.116 -42.703 34.060 1.00 0.00 H new ATOM 482 N LYS A 40 2.186 -38.093 33.545 1.00 0.00 N ATOM 483 CA LYS A 40 2.547 -36.903 32.782 1.00 0.00 C ATOM 484 C LYS A 40 3.486 -37.264 31.643 1.00 0.00 C ATOM 485 O LYS A 40 3.312 -36.812 30.514 1.00 0.00 O ATOM 486 CB LYS A 40 3.248 -35.883 33.681 1.00 0.00 C ATOM 487 CG LYS A 40 3.616 -34.586 32.978 1.00 0.00 C ATOM 488 CD LYS A 40 4.257 -33.599 33.940 1.00 0.00 C ATOM 489 CE LYS A 40 4.638 -32.308 33.234 1.00 0.00 C ATOM 490 NZ LYS A 40 5.257 -31.326 34.168 1.00 0.00 N ATOM 0 H LYS A 40 2.401 -38.031 34.540 1.00 0.00 H new ATOM 0 HA LYS A 40 1.628 -36.475 32.382 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.600 -35.654 34.527 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.154 -36.334 34.086 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.303 -34.796 32.158 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.723 -34.142 32.539 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.566 -33.380 34.754 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.144 -34.047 34.387 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.335 -32.528 32.425 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.751 -31.867 32.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.502 -30.459 33.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.583 -31.096 34.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.118 -31.736 34.583 1.00 0.00 H new ATOM 504 N LEU A 41 4.484 -38.085 31.958 1.00 0.00 N ATOM 505 CA LEU A 41 5.471 -38.528 30.978 1.00 0.00 C ATOM 506 C LEU A 41 4.783 -39.162 29.780 1.00 0.00 C ATOM 507 O LEU A 41 5.253 -39.049 28.650 1.00 0.00 O ATOM 508 CB LEU A 41 6.414 -39.561 31.597 1.00 0.00 C ATOM 509 CG LEU A 41 7.603 -39.995 30.737 1.00 0.00 C ATOM 510 CD1 LEU A 41 8.526 -38.818 30.462 1.00 0.00 C ATOM 511 CD2 LEU A 41 8.408 -41.078 31.440 1.00 0.00 C ATOM 0 H LEU A 41 4.631 -38.460 32.895 1.00 0.00 H new ATOM 0 HA LEU A 41 6.039 -37.654 30.659 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.799 -39.156 32.533 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.832 -40.448 31.849 1.00 0.00 H new ATOM 0 HG LEU A 41 7.204 -40.380 29.799 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.365 -39.149 29.849 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.975 -38.039 29.934 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.901 -38.421 31.406 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.249 -41.372 30.812 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.782 -40.695 32.390 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.771 -41.944 31.623 1.00 0.00 H new ATOM 523 N PHE A 42 3.664 -39.830 30.046 1.00 0.00 N ATOM 524 CA PHE A 42 2.887 -40.495 29.005 1.00 0.00 C ATOM 525 C PHE A 42 2.381 -39.485 27.991 1.00 0.00 C ATOM 526 O PHE A 42 2.451 -39.712 26.785 1.00 0.00 O ATOM 527 CB PHE A 42 1.681 -41.214 29.613 1.00 0.00 C ATOM 528 CG PHE A 42 0.835 -41.938 28.605 1.00 0.00 C ATOM 529 CD1 PHE A 42 1.236 -43.160 28.093 1.00 0.00 C ATOM 530 CD2 PHE A 42 -0.361 -41.397 28.168 1.00 0.00 C ATOM 531 CE1 PHE A 42 0.458 -43.826 27.166 1.00 0.00 C ATOM 532 CE2 PHE A 42 -1.140 -42.063 27.241 1.00 0.00 C ATOM 533 CZ PHE A 42 -0.735 -43.273 26.740 1.00 0.00 C ATOM 0 H PHE A 42 3.272 -39.925 30.983 1.00 0.00 H new ATOM 0 HA PHE A 42 3.540 -41.217 28.514 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.033 -41.928 30.358 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.062 -40.486 30.137 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.167 -43.597 28.422 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.689 -40.444 28.556 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.782 -44.779 26.774 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.072 -41.628 26.910 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.345 -43.792 26.016 1.00 0.00 H new ATOM 543 N LYS A 43 1.870 -38.365 28.498 1.00 0.00 N ATOM 544 CA LYS A 43 1.344 -37.297 27.656 1.00 0.00 C ATOM 545 C LYS A 43 2.472 -36.585 26.928 1.00 0.00 C ATOM 546 O LYS A 43 2.371 -36.291 25.740 1.00 0.00 O ATOM 547 CB LYS A 43 0.592 -36.268 28.503 1.00 0.00 C ATOM 548 CG LYS A 43 -0.724 -36.775 29.071 1.00 0.00 C ATOM 549 CD LYS A 43 -1.423 -35.700 29.887 1.00 0.00 C ATOM 550 CE LYS A 43 -2.738 -36.207 30.456 1.00 0.00 C ATOM 551 NZ LYS A 43 -3.428 -35.169 31.270 1.00 0.00 N ATOM 0 H LYS A 43 1.810 -38.174 29.498 1.00 0.00 H new ATOM 0 HA LYS A 43 0.666 -37.750 26.933 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.233 -35.952 29.326 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.397 -35.385 27.894 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.374 -37.097 28.257 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.540 -37.648 29.697 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.773 -35.377 30.700 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.608 -34.827 29.261 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.389 -36.521 29.640 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.552 -37.087 31.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.320 -35.554 31.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.817 -34.887 32.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.629 -34.339 30.676 1.00 0.00 H new ATOM 565 N LYS A 44 3.549 -36.314 27.662 1.00 0.00 N ATOM 566 CA LYS A 44 4.718 -35.635 27.112 1.00 0.00 C ATOM 567 C LYS A 44 5.511 -36.578 26.221 1.00 0.00 C ATOM 568 O LYS A 44 5.924 -36.212 25.123 1.00 0.00 O ATOM 569 CB LYS A 44 5.634 -35.148 28.237 1.00 0.00 C ATOM 570 CG LYS A 44 5.067 -33.988 29.040 1.00 0.00 C ATOM 571 CD LYS A 44 4.929 -32.740 28.184 1.00 0.00 C ATOM 572 CE LYS A 44 4.407 -31.567 28.998 1.00 0.00 C ATOM 573 NZ LYS A 44 4.230 -30.347 28.164 1.00 0.00 N ATOM 0 H LYS A 44 3.635 -36.558 28.649 1.00 0.00 H new ATOM 0 HA LYS A 44 4.364 -34.785 26.529 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.836 -35.979 28.912 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.590 -34.846 27.808 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.093 -34.264 29.444 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.717 -33.779 29.890 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.896 -32.484 27.752 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.252 -32.939 27.353 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.454 -31.837 29.453 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.100 -31.353 29.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.873 -29.570 28.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.144 -30.074 27.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.549 -30.543 27.402 1.00 0.00 H new ATOM 587 N PHE A 45 5.715 -37.796 26.713 1.00 0.00 N ATOM 588 CA PHE A 45 6.456 -38.820 25.981 1.00 0.00 C ATOM 589 C PHE A 45 5.611 -39.385 24.851 1.00 0.00 C ATOM 590 O PHE A 45 6.097 -39.589 23.741 1.00 0.00 O ATOM 591 CB PHE A 45 6.846 -39.969 26.913 1.00 0.00 C ATOM 592 CG PHE A 45 7.648 -41.047 26.244 1.00 0.00 C ATOM 593 CD1 PHE A 45 8.997 -40.870 25.989 1.00 0.00 C ATOM 594 CD2 PHE A 45 7.055 -42.240 25.868 1.00 0.00 C ATOM 595 CE1 PHE A 45 9.735 -41.862 25.373 1.00 0.00 C ATOM 596 CE2 PHE A 45 7.793 -43.232 25.252 1.00 0.00 C ATOM 597 CZ PHE A 45 9.128 -43.047 25.004 1.00 0.00 C ATOM 0 H PHE A 45 5.374 -38.101 27.625 1.00 0.00 H new ATOM 0 HA PHE A 45 7.353 -38.352 25.574 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.420 -39.568 27.748 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.940 -40.409 27.330 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.478 -39.946 26.275 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.004 -42.397 26.058 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.787 -41.711 25.180 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.316 -44.157 24.965 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.703 -43.824 24.522 1.00 0.00 H new ATOM 607 N THR A 46 4.340 -39.632 25.152 1.00 0.00 N ATOM 608 CA THR A 46 3.399 -40.177 24.178 1.00 0.00 C ATOM 609 C THR A 46 2.982 -39.104 23.184 1.00 0.00 C ATOM 610 O THR A 46 2.924 -39.348 21.981 1.00 0.00 O ATOM 611 CB THR A 46 2.126 -40.711 24.861 1.00 0.00 C ATOM 612 OG1 THR A 46 2.475 -41.751 25.782 1.00 0.00 O ATOM 613 CG2 THR A 46 1.163 -41.273 23.826 1.00 0.00 C ATOM 0 H THR A 46 3.934 -39.461 26.072 1.00 0.00 H new ATOM 0 HA THR A 46 3.908 -40.994 23.668 1.00 0.00 H new ATOM 0 HB THR A 46 1.645 -39.888 25.390 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.043 -41.582 26.645 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.269 -41.646 24.326 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.885 -40.487 23.123 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.644 -42.089 23.286 1.00 0.00 H new ATOM 621 N SER A 47 2.698 -37.915 23.705 1.00 0.00 N ATOM 622 CA SER A 47 2.284 -36.781 22.884 1.00 0.00 C ATOM 623 C SER A 47 3.475 -36.201 22.138 1.00 0.00 C ATOM 624 O SER A 47 3.379 -35.870 20.959 1.00 0.00 O ATOM 625 CB SER A 47 1.678 -35.681 23.757 1.00 0.00 C ATOM 626 OG SER A 47 1.282 -34.568 22.974 1.00 0.00 O ATOM 0 H SER A 47 2.748 -37.710 24.703 1.00 0.00 H new ATOM 0 HA SER A 47 1.541 -37.140 22.172 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.817 -36.074 24.297 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.405 -35.364 24.504 1.00 0.00 H new ATOM 0 HG SER A 47 0.896 -33.880 23.555 1.00 0.00 H new ATOM 632 N LYS A 48 4.593 -36.085 22.846 1.00 0.00 N ATOM 633 CA LYS A 48 5.826 -35.546 22.276 1.00 0.00 C ATOM 634 C LYS A 48 6.477 -36.566 21.356 1.00 0.00 C ATOM 635 O LYS A 48 6.984 -36.222 20.290 1.00 0.00 O ATOM 636 CB LYS A 48 6.819 -35.192 23.385 1.00 0.00 C ATOM 637 CG LYS A 48 6.413 -33.989 24.221 1.00 0.00 C ATOM 638 CD LYS A 48 6.403 -32.717 23.389 1.00 0.00 C ATOM 639 CE LYS A 48 6.042 -31.506 24.235 1.00 0.00 C ATOM 640 NZ LYS A 48 5.990 -30.258 23.425 1.00 0.00 N ATOM 0 H LYS A 48 4.672 -36.360 23.825 1.00 0.00 H new ATOM 0 HA LYS A 48 5.567 -34.650 21.711 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.936 -36.054 24.042 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.793 -34.997 22.937 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.423 -34.156 24.646 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.103 -33.874 25.057 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.384 -32.568 22.937 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.688 -32.819 22.573 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.075 -31.671 24.710 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.774 -31.390 25.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.741 -29.456 24.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.920 -30.086 22.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.273 -30.358 22.678 1.00 0.00 H new ATOM 654 N ALA A 49 6.455 -37.826 21.785 1.00 0.00 N ATOM 655 CA ALA A 49 7.038 -38.920 21.017 1.00 0.00 C ATOM 0 H ALA A 49 6.035 -38.115 22.669 1.00 0.00 H new TER 658 ALA A 49