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=-0.94) USER MOD Single : A 17 SER OG : rot 76:sc= 1.04 USER MOD Single : A 19 THR OG1 : rot 87:sc= -0.823! USER MOD Single : A 21 MET CE :methyl 166:sc=-0.00998 (180deg=-0.24) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 166:sc= -0.011 (180deg=-0.24) 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 69:sc= 0.575 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 0.482 7.441 62.519 1.00 0.00 C ATOM 2 C PRO A 6 -0.520 6.995 61.468 1.00 0.00 C ATOM 3 O PRO A 6 -0.165 6.325 60.501 1.00 0.00 O ATOM 5 N ALA A 7 -1.778 7.375 61.675 1.00 0.00 N ATOM 6 CA ALA A 7 -2.860 7.027 60.759 1.00 0.00 C ATOM 7 C ALA A 7 -2.722 7.797 59.456 1.00 0.00 C ATOM 8 O ALA A 7 -2.994 7.270 58.380 1.00 0.00 O ATOM 9 CB ALA A 7 -4.208 7.364 61.378 1.00 0.00 C ATOM 0 H ALA A 7 -2.075 7.930 62.478 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.800 5.956 60.563 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.004 7.099 60.683 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.333 6.803 62.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.254 8.432 61.591 1.00 0.00 H new ATOM 15 N LYS A 8 -2.298 9.054 59.573 1.00 0.00 N ATOM 16 CA LYS A 8 -2.113 9.925 58.416 1.00 0.00 C ATOM 17 C LYS A 8 -1.257 9.240 57.364 1.00 0.00 C ATOM 18 O LYS A 8 -1.569 9.273 56.176 1.00 0.00 O ATOM 19 CB LYS A 8 -1.421 11.225 58.830 1.00 0.00 C ATOM 20 CG LYS A 8 -1.246 12.223 57.696 1.00 0.00 C ATOM 21 CD LYS A 8 -0.604 13.510 58.187 1.00 0.00 C ATOM 22 CE LYS A 8 -0.415 14.502 57.051 1.00 0.00 C ATOM 23 NZ LYS A 8 0.201 15.773 57.520 1.00 0.00 N ATOM 0 H LYS A 8 -2.075 9.494 60.466 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.098 10.144 58.005 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.999 11.694 59.627 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.441 10.987 59.244 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.629 11.782 56.913 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.216 12.445 57.251 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.226 13.956 58.963 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.361 13.287 58.642 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.214 14.056 56.281 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.380 14.715 56.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.313 16.422 56.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.412 16.212 58.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.133 15.574 57.936 1.00 0.00 H new ATOM 37 N ALA A 9 -0.173 8.619 57.820 1.00 0.00 N ATOM 38 CA ALA A 9 0.752 7.915 56.937 1.00 0.00 C ATOM 39 C ALA A 9 0.129 6.622 56.436 1.00 0.00 C ATOM 40 O ALA A 9 0.371 6.202 55.307 1.00 0.00 O ATOM 41 CB ALA A 9 2.037 7.576 57.677 1.00 0.00 C ATOM 0 H ALA A 9 0.088 8.589 58.806 1.00 0.00 H new ATOM 0 HA ALA A 9 0.972 8.569 56.094 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.716 7.051 57.005 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.509 8.494 58.026 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.808 6.939 58.531 1.00 0.00 H new ATOM 47 N ALA A 10 -0.678 6.002 57.292 1.00 0.00 N ATOM 48 CA ALA A 10 -1.353 4.751 56.962 1.00 0.00 C ATOM 49 C ALA A 10 -2.400 4.979 55.884 1.00 0.00 C ATOM 50 O ALA A 10 -2.476 4.233 54.911 1.00 0.00 O ATOM 51 CB ALA A 10 -2.044 4.181 58.191 1.00 0.00 C ATOM 0 H ALA A 10 -0.882 6.350 58.229 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.599 4.051 56.602 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.543 3.248 57.928 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.304 3.990 58.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.781 4.895 58.558 1.00 0.00 H new ATOM 57 N PHE A 11 -3.203 6.023 56.073 1.00 0.00 N ATOM 58 CA PHE A 11 -4.259 6.376 55.129 1.00 0.00 C ATOM 59 C PHE A 11 -3.664 6.992 53.873 1.00 0.00 C ATOM 60 O PHE A 11 -4.082 6.680 52.759 1.00 0.00 O ATOM 61 CB PHE A 11 -5.221 7.387 55.755 1.00 0.00 C ATOM 62 CG PHE A 11 -6.364 7.772 54.859 1.00 0.00 C ATOM 63 CD1 PHE A 11 -7.447 6.927 54.692 1.00 0.00 C ATOM 64 CD2 PHE A 11 -6.355 8.980 54.182 1.00 0.00 C ATOM 65 CE1 PHE A 11 -8.498 7.282 53.868 1.00 0.00 C ATOM 66 CE2 PHE A 11 -7.405 9.334 53.358 1.00 0.00 C ATOM 67 CZ PHE A 11 -8.474 8.491 53.199 1.00 0.00 C ATOM 0 H PHE A 11 -3.141 6.644 56.880 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.797 5.463 54.875 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.621 6.970 56.679 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.665 8.285 56.025 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.471 5.980 55.211 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.518 9.652 54.300 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.338 6.614 53.747 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.384 10.279 52.836 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.294 8.770 52.554 1.00 0.00 H new ATOM 77 N ASP A 12 -2.686 7.868 54.071 1.00 0.00 N ATOM 78 CA ASP A 12 -2.010 8.548 52.968 1.00 0.00 C ATOM 79 C ASP A 12 -1.099 7.584 52.226 1.00 0.00 C ATOM 80 O ASP A 12 -0.992 7.633 51.003 1.00 0.00 O ATOM 81 CB ASP A 12 -1.161 9.708 53.493 1.00 0.00 C ATOM 82 CG ASP A 12 -0.609 10.576 52.380 1.00 0.00 C ATOM 83 OD1 ASP A 12 -1.412 11.087 51.571 1.00 0.00 O ATOM 84 OD2 ASP A 12 0.626 10.746 52.317 1.00 0.00 O ATOM 0 H ASP A 12 -2.339 8.127 54.995 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.777 8.927 52.292 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.764 10.321 54.162 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.335 9.311 54.083 1.00 0.00 H new ATOM 90 N SER A 13 -0.446 6.708 52.986 1.00 0.00 N ATOM 91 CA SER A 13 0.466 5.716 52.427 1.00 0.00 C ATOM 92 C SER A 13 -0.291 4.732 51.549 1.00 0.00 C ATOM 93 O SER A 13 0.145 4.405 50.447 1.00 0.00 O ATOM 94 CB SER A 13 1.158 4.934 53.545 1.00 0.00 C ATOM 95 OG SER A 13 2.047 3.966 53.016 1.00 0.00 O ATOM 0 H SER A 13 -0.534 6.666 54.001 1.00 0.00 H new ATOM 0 HA SER A 13 1.210 6.246 51.832 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.706 5.622 54.189 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.409 4.443 54.167 1.00 0.00 H new ATOM 0 HG SER A 13 2.478 3.481 53.751 1.00 0.00 H new ATOM 101 N LEU A 14 -1.432 4.270 52.054 1.00 0.00 N ATOM 102 CA LEU A 14 -2.275 3.320 51.335 1.00 0.00 C ATOM 103 C LEU A 14 -2.831 3.951 50.070 1.00 0.00 C ATOM 104 O LEU A 14 -2.779 3.361 48.994 1.00 0.00 O ATOM 105 CB LEU A 14 -3.449 2.877 52.210 1.00 0.00 C ATOM 106 CG LEU A 14 -4.407 1.856 51.592 1.00 0.00 C ATOM 107 CD1 LEU A 14 -3.687 0.547 51.307 1.00 0.00 C ATOM 108 CD2 LEU A 14 -5.565 1.566 52.535 1.00 0.00 C ATOM 0 H LEU A 14 -1.796 4.542 52.967 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.659 2.459 51.078 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.049 2.456 53.132 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.023 3.762 52.486 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.783 2.283 50.662 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.386 -0.165 50.868 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.867 0.727 50.611 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.291 0.140 52.237 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.234 0.838 52.076 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.179 1.165 53.472 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.112 2.487 52.733 1.00 0.00 H new ATOM 120 N GLN A 15 -3.363 5.163 50.219 1.00 0.00 N ATOM 121 CA GLN A 15 -3.942 5.903 49.101 1.00 0.00 C ATOM 122 C GLN A 15 -2.933 6.034 47.971 1.00 0.00 C ATOM 123 O GLN A 15 -3.276 5.898 46.799 1.00 0.00 O ATOM 124 CB GLN A 15 -4.356 7.307 49.545 1.00 0.00 C ATOM 125 CG GLN A 15 -5.047 8.122 48.464 1.00 0.00 C ATOM 126 CD GLN A 15 -5.501 9.481 48.958 1.00 0.00 C ATOM 127 OE1 GLN A 15 -5.288 9.833 50.119 1.00 0.00 O ATOM 128 NE2 GLN A 15 -6.130 10.250 48.077 1.00 0.00 N ATOM 0 H GLN A 15 -3.405 5.656 51.111 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.816 5.352 48.755 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.023 7.223 50.403 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.470 7.846 49.881 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.366 8.254 47.623 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.909 7.568 48.092 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.284 9.915 47.126 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.460 11.175 48.351 1.00 0.00 H new ATOM 137 N ALA A 16 -1.683 6.298 48.345 1.00 0.00 N ATOM 138 CA ALA A 16 -0.597 6.453 47.380 1.00 0.00 C ATOM 139 C ALA A 16 -0.216 5.107 46.787 1.00 0.00 C ATOM 140 O ALA A 16 -0.098 4.963 45.572 1.00 0.00 O ATOM 141 CB ALA A 16 0.630 7.048 48.054 1.00 0.00 C ATOM 0 H ALA A 16 -1.396 6.410 49.317 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.945 7.118 46.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.430 7.157 47.322 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.380 8.025 48.467 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.960 6.388 48.857 1.00 0.00 H new ATOM 147 N SER A 17 -0.025 4.127 47.664 1.00 0.00 N ATOM 148 CA SER A 17 0.345 2.774 47.255 1.00 0.00 C ATOM 149 C SER A 17 -0.676 2.216 46.278 1.00 0.00 C ATOM 150 O SER A 17 -0.327 1.782 45.182 1.00 0.00 O ATOM 151 CB SER A 17 0.410 1.846 48.470 1.00 0.00 C ATOM 152 OG SER A 17 1.458 2.223 49.345 1.00 0.00 O ATOM 0 H SER A 17 -0.121 4.245 48.673 1.00 0.00 H new ATOM 0 HA SER A 17 1.323 2.827 46.777 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.540 1.873 49.003 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.561 0.818 48.139 1.00 0.00 H new ATOM 0 HG SER A 17 1.189 3.016 49.855 1.00 0.00 H new ATOM 158 N ALA A 18 -1.940 2.235 46.691 1.00 0.00 N ATOM 159 CA ALA A 18 -3.037 1.736 45.870 1.00 0.00 C ATOM 160 C ALA A 18 -3.277 2.656 44.684 1.00 0.00 C ATOM 161 O ALA A 18 -3.712 2.216 43.622 1.00 0.00 O ATOM 162 CB ALA A 18 -4.318 1.659 46.687 1.00 0.00 C ATOM 0 H ALA A 18 -2.231 2.595 47.600 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.763 0.742 45.516 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.127 1.285 46.060 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.171 0.985 47.531 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.574 2.652 47.056 1.00 0.00 H new ATOM 168 N THR A 19 -2.986 3.939 44.883 1.00 0.00 N ATOM 169 CA THR A 19 -3.160 4.949 43.844 1.00 0.00 C ATOM 170 C THR A 19 -2.069 4.824 42.792 1.00 0.00 C ATOM 171 O THR A 19 -2.351 4.742 41.598 1.00 0.00 O ATOM 172 CB THR A 19 -3.096 6.374 44.425 1.00 0.00 C ATOM 173 OG1 THR A 19 -4.158 6.555 45.371 1.00 0.00 O ATOM 174 CG2 THR A 19 -3.241 7.407 43.319 1.00 0.00 C ATOM 0 H THR A 19 -2.625 4.306 45.764 1.00 0.00 H new ATOM 0 HA THR A 19 -4.141 4.780 43.400 1.00 0.00 H new ATOM 0 HB THR A 19 -2.131 6.505 44.914 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.867 6.242 46.253 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.194 8.408 43.748 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.434 7.283 42.597 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.200 7.272 42.818 1.00 0.00 H new ATOM 182 N GLU A 20 -0.823 4.810 43.256 1.00 0.00 N ATOM 183 CA GLU A 20 0.336 4.694 42.375 1.00 0.00 C ATOM 184 C GLU A 20 0.308 3.373 41.627 1.00 0.00 C ATOM 185 O GLU A 20 0.594 3.317 40.434 1.00 0.00 O ATOM 186 CB GLU A 20 1.633 4.763 43.184 1.00 0.00 C ATOM 187 CG GLU A 20 1.918 6.130 43.784 1.00 0.00 C ATOM 188 CD GLU A 20 3.182 6.147 44.621 1.00 0.00 C ATOM 189 OE1 GLU A 20 3.807 5.076 44.774 1.00 0.00 O ATOM 190 OE2 GLU A 20 3.547 7.230 45.124 1.00 0.00 O ATOM 0 H GLU A 20 -0.588 4.878 44.246 1.00 0.00 H new ATOM 0 HA GLU A 20 0.297 5.521 41.666 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.587 4.028 43.987 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.466 4.480 42.540 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.008 6.863 42.982 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.073 6.435 44.402 1.00 0.00 H new ATOM 198 N MET A 21 -0.043 2.311 42.349 1.00 0.00 N ATOM 199 CA MET A 21 -0.119 0.971 41.777 1.00 0.00 C ATOM 200 C MET A 21 -1.209 0.902 40.721 1.00 0.00 C ATOM 201 O MET A 21 -1.055 0.240 39.697 1.00 0.00 O ATOM 202 CB MET A 21 -0.435 -0.058 42.864 1.00 0.00 C ATOM 203 CG MET A 21 -0.450 -1.496 42.371 1.00 0.00 C ATOM 204 SD MET A 21 -0.794 -2.679 43.688 1.00 0.00 S ATOM 205 CE MET A 21 -2.523 -2.338 44.006 1.00 0.00 C ATOM 0 H MET A 21 -0.281 2.355 43.340 1.00 0.00 H new ATOM 0 HA MET A 21 0.848 0.749 41.325 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.302 0.034 43.662 1.00 0.00 H new ATOM 0 HB3 MET A 21 -1.407 0.176 43.299 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.202 -1.600 41.589 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.514 -1.731 41.919 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.947 -3.141 44.608 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.615 -1.394 44.543 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.061 -2.271 43.060 1.00 0.00 H new ATOM 215 N ILE A 22 -2.312 1.596 40.988 1.00 0.00 N ATOM 216 CA ILE A 22 -3.451 1.633 40.075 1.00 0.00 C ATOM 217 C ILE A 22 -3.022 2.147 38.711 1.00 0.00 C ATOM 218 O ILE A 22 -3.565 1.743 37.685 1.00 0.00 O ATOM 219 CB ILE A 22 -4.566 2.557 40.600 1.00 0.00 C ATOM 220 CG1 ILE A 22 -5.869 2.307 39.838 1.00 0.00 C ATOM 221 CG2 ILE A 22 -4.176 4.016 40.424 1.00 0.00 C ATOM 222 CD1 ILE A 22 -7.082 2.944 40.478 1.00 0.00 C ATOM 0 H ILE A 22 -2.441 2.145 41.838 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.829 0.614 39.999 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.709 2.339 41.658 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.764 2.688 38.822 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.033 1.232 39.760 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.975 4.654 40.800 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.260 4.217 40.979 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.013 4.224 39.367 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.967 2.723 39.881 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.214 2.545 41.484 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.941 4.023 40.531 1.00 0.00 H new ATOM 234 N GLY A 23 -2.040 3.045 38.717 1.00 0.00 N ATOM 235 CA GLY A 23 -1.516 3.636 37.490 1.00 0.00 C ATOM 236 C GLY A 23 -0.704 2.613 36.711 1.00 0.00 C ATOM 237 O GLY A 23 -0.675 2.634 35.483 1.00 0.00 O ATOM 0 H GLY A 23 -1.588 3.381 39.567 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.339 4.001 36.875 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.892 4.497 37.731 1.00 0.00 H new ATOM 241 N TYR A 24 -0.048 1.722 37.446 1.00 0.00 N ATOM 242 CA TYR A 24 0.777 0.673 36.850 1.00 0.00 C ATOM 243 C TYR A 24 -0.084 -0.293 36.054 1.00 0.00 C ATOM 244 O TYR A 24 0.246 -0.648 34.924 1.00 0.00 O ATOM 245 CB TYR A 24 1.509 -0.115 37.938 1.00 0.00 C ATOM 246 CG TYR A 24 2.669 0.630 38.559 1.00 0.00 C ATOM 247 CD1 TYR A 24 3.910 0.660 37.936 1.00 0.00 C ATOM 248 CD2 TYR A 24 2.519 1.301 39.765 1.00 0.00 C ATOM 249 CE1 TYR A 24 4.976 1.339 38.497 1.00 0.00 C ATOM 250 CE2 TYR A 24 3.573 1.985 40.341 1.00 0.00 C ATOM 251 CZ TYR A 24 4.797 2.004 39.709 1.00 0.00 C ATOM 252 OH TYR A 24 5.849 2.684 40.279 1.00 0.00 O ATOM 0 H TYR A 24 -0.071 1.704 38.466 1.00 0.00 H new ATOM 0 HA TYR A 24 1.500 1.153 36.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.799 -0.380 38.721 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.876 -1.049 37.512 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.045 0.144 36.997 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.561 1.288 40.263 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.936 1.354 38.002 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.438 2.501 41.280 1.00 0.00 H new ATOM 0 HH TYR A 24 5.557 3.093 41.120 1.00 0.00 H new ATOM 262 N ALA A 25 -1.192 -0.711 36.660 1.00 0.00 N ATOM 263 CA ALA A 25 -2.125 -1.640 36.029 1.00 0.00 C ATOM 264 C ALA A 25 -2.669 -1.054 34.737 1.00 0.00 C ATOM 265 O ALA A 25 -2.674 -1.711 33.699 1.00 0.00 O ATOM 266 CB ALA A 25 -3.295 -1.928 36.957 1.00 0.00 C ATOM 0 H ALA A 25 -1.467 -0.417 37.597 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.584 -2.562 35.816 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.982 -2.622 36.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.925 -2.370 37.882 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.818 -0.999 37.183 1.00 0.00 H new ATOM 272 N TRP A 26 -3.125 0.194 34.820 1.00 0.00 N ATOM 273 CA TRP A 26 -3.680 0.898 33.668 1.00 0.00 C ATOM 274 C TRP A 26 -2.624 1.065 32.587 1.00 0.00 C ATOM 275 O TRP A 26 -2.896 0.870 31.404 1.00 0.00 O ATOM 276 CB TRP A 26 -4.177 2.286 34.077 1.00 0.00 C ATOM 277 CG TRP A 26 -4.771 3.068 32.945 1.00 0.00 C ATOM 278 CD1 TRP A 26 -4.195 4.109 32.277 1.00 0.00 C ATOM 279 CD2 TRP A 26 -6.059 2.870 32.349 1.00 0.00 C ATOM 280 NE1 TRP A 26 -5.043 4.573 31.301 1.00 0.00 N ATOM 281 CE2 TRP A 26 -6.195 3.829 31.325 1.00 0.00 C ATOM 282 CE3 TRP A 26 -7.110 1.978 32.580 1.00 0.00 C ATOM 283 CZ2 TRP A 26 -7.339 3.919 30.534 1.00 0.00 C ATOM 284 CZ3 TRP A 26 -8.243 2.072 31.793 1.00 0.00 C ATOM 285 CH2 TRP A 26 -8.351 3.033 30.783 1.00 0.00 C ATOM 0 H TRP A 26 -3.120 0.741 35.681 1.00 0.00 H new ATOM 0 HA TRP A 26 -4.511 0.305 33.285 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -4.923 2.178 34.864 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -3.346 2.850 34.501 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -3.214 4.510 32.485 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -4.848 5.344 30.663 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -7.039 1.231 33.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -7.423 4.661 29.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -9.062 1.389 31.962 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -9.251 3.077 30.188 1.00 0.00 H new ATOM 296 N ALA A 27 -1.417 1.427 33.012 1.00 0.00 N ATOM 297 CA ALA A 27 -0.296 1.627 32.099 1.00 0.00 C ATOM 298 C ALA A 27 0.114 0.308 31.463 1.00 0.00 C ATOM 299 O ALA A 27 0.321 0.228 30.255 1.00 0.00 O ATOM 300 CB ALA A 27 0.901 2.195 32.846 1.00 0.00 C ATOM 0 H ALA A 27 -1.189 1.589 33.993 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.615 2.326 31.326 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.729 2.338 32.151 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.631 3.152 33.291 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.202 1.502 33.631 1.00 0.00 H new ATOM 306 N MET A 28 0.230 -0.721 32.297 1.00 0.00 N ATOM 307 CA MET A 28 0.614 -2.055 31.843 1.00 0.00 C ATOM 308 C MET A 28 -0.492 -2.672 31.003 1.00 0.00 C ATOM 309 O MET A 28 -0.249 -3.168 29.906 1.00 0.00 O ATOM 310 CB MET A 28 0.881 -2.972 33.039 1.00 0.00 C ATOM 311 CG MET A 28 1.346 -4.368 32.658 1.00 0.00 C ATOM 312 SD MET A 28 1.679 -5.406 34.095 1.00 0.00 S ATOM 313 CE MET A 28 0.018 -5.681 34.706 1.00 0.00 C ATOM 0 H MET A 28 0.062 -0.655 33.301 1.00 0.00 H new ATOM 0 HA MET A 28 1.519 -1.953 31.245 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.636 -2.510 33.676 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.030 -3.053 33.632 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.585 -4.844 32.039 1.00 0.00 H new ATOM 0 HG3 MET A 28 2.249 -4.293 32.052 1.00 0.00 H new ATOM 0 HE1 MET A 28 0.027 -6.495 35.431 1.00 0.00 H new ATOM 0 HE2 MET A 28 -0.349 -4.773 35.184 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.637 -5.943 33.875 1.00 0.00 H new ATOM 323 N VAL A 29 -1.710 -2.631 31.538 1.00 0.00 N ATOM 324 CA VAL A 29 -2.879 -3.179 30.858 1.00 0.00 C ATOM 325 C VAL A 29 -3.147 -2.425 29.566 1.00 0.00 C ATOM 326 O VAL A 29 -3.337 -3.028 28.512 1.00 0.00 O ATOM 327 CB VAL A 29 -4.141 -3.078 31.735 1.00 0.00 C ATOM 328 CG1 VAL A 29 -5.377 -3.461 30.935 1.00 0.00 C ATOM 329 CG2 VAL A 29 -4.034 -4.011 32.931 1.00 0.00 C ATOM 0 H VAL A 29 -1.913 -2.220 32.449 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.661 -4.227 30.651 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.227 -2.047 32.077 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.260 -3.384 31.570 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.482 -2.788 30.084 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.276 -4.486 30.577 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.934 -3.927 33.540 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.926 -5.038 32.583 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.165 -3.738 33.529 1.00 0.00 H new ATOM 339 N VAL A 30 -3.158 -1.099 29.666 1.00 0.00 N ATOM 340 CA VAL A 30 -3.401 -0.233 28.518 1.00 0.00 C ATOM 341 C VAL A 30 -2.392 -0.512 27.416 1.00 0.00 C ATOM 342 O VAL A 30 -2.740 -0.564 26.239 1.00 0.00 O ATOM 343 CB VAL A 30 -3.286 1.255 28.899 1.00 0.00 C ATOM 344 CG1 VAL A 30 -3.334 2.128 27.655 1.00 0.00 C ATOM 345 CG2 VAL A 30 -4.429 1.660 29.816 1.00 0.00 C ATOM 0 H VAL A 30 -3.000 -0.597 30.540 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.413 -0.444 28.172 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.334 1.394 29.412 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.252 3.176 27.943 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.507 1.867 26.995 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.278 1.968 27.134 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.332 2.714 30.075 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.379 1.498 29.307 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.397 1.059 30.725 1.00 0.00 H new ATOM 355 N VAL A 31 -1.136 -0.690 27.820 1.00 0.00 N ATOM 356 CA VAL A 31 -0.048 -0.967 26.886 1.00 0.00 C ATOM 357 C VAL A 31 -0.140 -2.392 26.367 1.00 0.00 C ATOM 358 O VAL A 31 -0.042 -2.635 25.167 1.00 0.00 O ATOM 359 CB VAL A 31 1.328 -0.796 27.556 1.00 0.00 C ATOM 360 CG1 VAL A 31 2.436 -1.266 26.625 1.00 0.00 C ATOM 361 CG2 VAL A 31 1.576 0.665 27.899 1.00 0.00 C ATOM 0 H VAL A 31 -0.846 -0.647 28.797 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.146 -0.255 26.067 1.00 0.00 H new ATOM 0 HB VAL A 31 1.331 -1.395 28.467 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.401 -1.138 27.115 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.288 -2.319 26.385 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.414 -0.678 25.707 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.553 0.767 28.372 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.550 1.262 26.988 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.803 1.014 28.584 1.00 0.00 H new ATOM 371 N ILE A 32 -0.333 -3.329 27.292 1.00 0.00 N ATOM 372 CA ILE A 32 -0.443 -4.745 26.957 1.00 0.00 C ATOM 373 C ILE A 32 -1.644 -4.987 26.055 1.00 0.00 C ATOM 374 O ILE A 32 -1.526 -5.607 25.001 1.00 0.00 O ATOM 375 CB ILE A 32 -0.616 -5.612 28.218 1.00 0.00 C ATOM 376 CG1 ILE A 32 0.659 -5.582 29.065 1.00 0.00 C ATOM 377 CG2 ILE A 32 -0.907 -7.055 27.837 1.00 0.00 C ATOM 378 CD1 ILE A 32 0.496 -6.201 30.435 1.00 0.00 C ATOM 0 H ILE A 32 -0.417 -3.129 28.289 1.00 0.00 H new ATOM 0 HA ILE A 32 0.480 -5.022 26.448 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.451 -5.206 28.790 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.451 -6.107 28.531 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.983 -4.548 29.180 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.026 -7.653 28.741 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.824 -7.098 27.250 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.079 -7.450 27.247 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.441 -6.143 30.975 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.273 -5.662 30.989 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.202 -7.245 30.330 1.00 0.00 H new ATOM 390 N VAL A 33 -2.799 -4.485 26.487 1.00 0.00 N ATOM 391 CA VAL A 33 -4.042 -4.631 25.737 1.00 0.00 C ATOM 392 C VAL A 33 -4.050 -3.698 24.535 1.00 0.00 C ATOM 393 O VAL A 33 -4.365 -4.110 23.421 1.00 0.00 O ATOM 394 CB VAL A 33 -5.268 -4.295 26.606 1.00 0.00 C ATOM 395 CG1 VAL A 33 -6.532 -4.275 25.759 1.00 0.00 C ATOM 396 CG2 VAL A 33 -5.443 -5.333 27.704 1.00 0.00 C ATOM 0 H VAL A 33 -2.898 -3.969 27.361 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.098 -5.671 25.415 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.102 -3.312 27.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.389 -4.036 26.389 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.435 -3.521 24.978 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.679 -5.254 25.302 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.314 -5.080 28.308 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.586 -6.316 27.256 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.555 -5.348 28.336 1.00 0.00 H new ATOM 406 N GLY A 34 -3.700 -2.442 24.782 1.00 0.00 N ATOM 407 CA GLY A 34 -3.659 -1.423 23.735 1.00 0.00 C ATOM 408 C GLY A 34 -2.442 -1.622 22.847 1.00 0.00 C ATOM 409 O GLY A 34 -2.558 -1.698 21.626 1.00 0.00 O ATOM 0 H GLY A 34 -3.438 -2.100 25.707 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.567 -1.473 23.134 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.630 -0.431 24.186 1.00 0.00 H new ATOM 413 N ALA A 35 -1.276 -1.707 23.480 1.00 0.00 N ATOM 414 CA ALA A 35 -0.014 -1.899 22.770 1.00 0.00 C ATOM 415 C ALA A 35 0.070 -3.307 22.203 1.00 0.00 C ATOM 416 O ALA A 35 0.280 -3.495 21.007 1.00 0.00 O ATOM 417 CB ALA A 35 1.162 -1.688 23.712 1.00 0.00 C ATOM 0 H ALA A 35 -1.178 -1.645 24.493 1.00 0.00 H new ATOM 0 HA ALA A 35 0.026 -1.172 21.959 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.095 -1.835 23.168 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.131 -0.674 24.112 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.104 -2.404 24.532 1.00 0.00 H new ATOM 423 N THR A 36 -0.099 -4.292 23.082 1.00 0.00 N ATOM 424 CA THR A 36 -0.048 -5.700 22.697 1.00 0.00 C ATOM 425 C THR A 36 -1.177 -6.028 21.734 1.00 0.00 C ATOM 426 O THR A 36 -0.943 -6.537 20.640 1.00 0.00 O ATOM 427 CB THR A 36 -0.185 -6.625 23.921 1.00 0.00 C ATOM 428 OG1 THR A 36 0.896 -6.382 24.830 1.00 0.00 O ATOM 429 CG2 THR A 36 -0.148 -8.084 23.492 1.00 0.00 C ATOM 0 H THR A 36 -0.274 -4.138 24.075 1.00 0.00 H new ATOM 0 HA THR A 36 0.920 -5.865 22.223 1.00 0.00 H new ATOM 0 HB THR A 36 -1.138 -6.417 24.407 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.104 -7.206 25.318 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.246 -8.724 24.369 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.970 -8.282 22.805 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.799 -8.293 22.994 1.00 0.00 H new ATOM 437 N ILE A 37 -2.401 -5.729 22.158 1.00 0.00 N ATOM 438 CA ILE A 37 -3.591 -5.983 21.351 1.00 0.00 C ATOM 439 C ILE A 37 -3.684 -4.979 20.212 1.00 0.00 C ATOM 440 O ILE A 37 -4.099 -5.319 19.105 1.00 0.00 O ATOM 441 CB ILE A 37 -4.877 -5.869 22.190 1.00 0.00 C ATOM 442 CG1 ILE A 37 -4.937 -6.990 23.229 1.00 0.00 C ATOM 443 CG2 ILE A 37 -6.106 -5.971 21.299 1.00 0.00 C ATOM 444 CD1 ILE A 37 -6.036 -6.815 24.254 1.00 0.00 C ATOM 0 H ILE A 37 -2.596 -5.306 23.065 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.500 -6.997 20.961 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.864 -4.901 22.690 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.080 -7.941 22.716 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.978 -7.047 23.744 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.006 -5.888 21.909 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.091 -5.166 20.564 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.104 -6.932 20.784 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.015 -7.649 24.956 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -5.884 -5.881 24.795 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.002 -6.789 23.750 1.00 0.00 H new ATOM 456 N GLY A 38 -3.293 -3.741 20.502 1.00 0.00 N ATOM 457 CA GLY A 38 -3.322 -2.665 19.517 1.00 0.00 C ATOM 458 C GLY A 38 -2.299 -2.915 18.422 1.00 0.00 C ATOM 459 O GLY A 38 -2.601 -2.798 17.236 1.00 0.00 O ATOM 0 H GLY A 38 -2.950 -3.457 21.420 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.318 -2.590 19.081 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.115 -1.712 20.005 1.00 0.00 H new ATOM 463 N ILE A 39 -1.084 -3.262 18.839 1.00 0.00 N ATOM 464 CA ILE A 39 0.010 -3.538 17.913 1.00 0.00 C ATOM 465 C ILE A 39 -0.358 -4.677 16.976 1.00 0.00 C ATOM 466 O ILE A 39 -0.097 -4.617 15.777 1.00 0.00 O ATOM 467 CB ILE A 39 1.295 -3.938 18.661 1.00 0.00 C ATOM 468 CG1 ILE A 39 1.843 -2.750 19.454 1.00 0.00 C ATOM 469 CG2 ILE A 39 2.363 -4.395 17.679 1.00 0.00 C ATOM 470 CD1 ILE A 39 2.208 -1.559 18.595 1.00 0.00 C ATOM 0 H ILE A 39 -0.831 -3.359 19.822 1.00 0.00 H new ATOM 0 HA ILE A 39 0.186 -2.621 17.350 1.00 0.00 H new ATOM 0 HB ILE A 39 1.045 -4.753 19.340 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.100 -2.442 20.189 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.725 -3.071 20.008 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.264 -4.674 18.225 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.998 -5.255 17.118 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.594 -3.584 16.989 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.589 -0.757 19.228 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.975 -1.850 17.877 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.324 -1.211 18.061 1.00 0.00 H new ATOM 482 N LYS A 40 -0.969 -5.713 17.545 1.00 0.00 N ATOM 483 CA LYS A 40 -1.388 -6.884 16.782 1.00 0.00 C ATOM 484 C LYS A 40 -2.308 -6.477 15.643 1.00 0.00 C ATOM 485 O LYS A 40 -2.156 -6.938 14.514 1.00 0.00 O ATOM 486 CB LYS A 40 -2.139 -7.869 17.681 1.00 0.00 C ATOM 487 CG LYS A 40 -2.570 -9.146 16.978 1.00 0.00 C ATOM 488 CD LYS A 40 -3.258 -10.100 17.940 1.00 0.00 C ATOM 489 CE LYS A 40 -3.703 -11.371 17.235 1.00 0.00 C ATOM 490 NZ LYS A 40 -4.368 -12.321 18.168 1.00 0.00 N ATOM 0 H LYS A 40 -1.186 -5.764 18.540 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.491 -7.357 16.382 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.503 -8.130 18.527 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.022 -7.374 18.086 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.246 -8.902 16.158 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.700 -9.634 16.539 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.578 -10.352 18.754 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.122 -9.608 18.387 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.389 -11.116 16.427 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.839 -11.855 16.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.656 -13.174 17.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.706 -12.584 18.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.207 -11.869 18.584 1.00 0.00 H new ATOM 504 N LEU A 41 -3.264 -5.610 15.958 1.00 0.00 N ATOM 505 CA LEU A 41 -4.230 -5.121 14.978 1.00 0.00 C ATOM 506 C LEU A 41 -3.511 -4.520 13.780 1.00 0.00 C ATOM 507 O LEU A 41 -3.986 -4.611 12.650 1.00 0.00 O ATOM 508 CB LEU A 41 -5.124 -4.045 15.598 1.00 0.00 C ATOM 509 CG LEU A 41 -6.291 -3.555 14.738 1.00 0.00 C ATOM 510 CD1 LEU A 41 -7.268 -4.688 14.463 1.00 0.00 C ATOM 511 CD2 LEU A 41 -7.044 -2.437 15.441 1.00 0.00 C ATOM 0 H LEU A 41 -3.392 -5.227 16.895 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.839 -5.967 14.658 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.528 -4.433 16.533 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.501 -3.187 15.851 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.874 -3.188 13.800 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.090 -4.319 13.850 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.754 -5.491 13.935 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.661 -5.067 15.407 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.870 -2.103 14.813 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.435 -2.803 16.390 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.368 -1.602 15.625 1.00 0.00 H new ATOM 523 N PHE A 42 -2.362 -3.906 14.046 1.00 0.00 N ATOM 524 CA PHE A 42 -1.553 -3.279 13.005 1.00 0.00 C ATOM 525 C PHE A 42 -1.096 -4.314 11.991 1.00 0.00 C ATOM 526 O PHE A 42 -1.155 -4.083 10.785 1.00 0.00 O ATOM 527 CB PHE A 42 -0.314 -2.619 13.614 1.00 0.00 C ATOM 528 CG PHE A 42 -0.608 -1.342 14.349 1.00 0.00 C ATOM 529 CD1 PHE A 42 -1.826 -0.703 14.197 1.00 0.00 C ATOM 530 CD2 PHE A 42 0.335 -0.780 15.192 1.00 0.00 C ATOM 531 CE1 PHE A 42 -2.096 0.472 14.873 1.00 0.00 C ATOM 532 CE2 PHE A 42 0.065 0.395 15.868 1.00 0.00 C ATOM 533 CZ PHE A 42 -1.144 1.020 15.712 1.00 0.00 C ATOM 0 H PHE A 42 -1.967 -3.829 14.983 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.169 -2.526 12.513 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.161 -3.321 14.300 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.404 -2.414 12.820 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.574 -1.127 13.543 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.291 -1.264 15.323 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.050 0.962 14.746 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.811 0.822 16.522 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.352 1.937 16.242 1.00 0.00 H new ATOM 543 N LYS A 43 -0.641 -5.456 12.498 1.00 0.00 N ATOM 544 CA LYS A 43 -0.167 -6.550 11.656 1.00 0.00 C ATOM 545 C LYS A 43 -1.328 -7.206 10.928 1.00 0.00 C ATOM 546 O LYS A 43 -1.240 -7.505 9.740 1.00 0.00 O ATOM 547 CB LYS A 43 0.534 -7.614 12.504 1.00 0.00 C ATOM 548 CG LYS A 43 1.872 -7.172 13.073 1.00 0.00 C ATOM 549 CD LYS A 43 2.517 -8.279 13.890 1.00 0.00 C ATOM 550 CE LYS A 43 3.856 -7.837 14.459 1.00 0.00 C ATOM 551 NZ LYS A 43 4.494 -8.907 15.274 1.00 0.00 N ATOM 0 H LYS A 43 -0.590 -5.649 13.498 1.00 0.00 H new ATOM 0 HA LYS A 43 0.533 -6.131 10.933 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.122 -7.898 13.327 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.687 -8.505 11.896 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.538 -6.882 12.260 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.730 -6.291 13.699 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.852 -8.569 14.703 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.658 -9.160 13.265 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.522 -7.556 13.643 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.713 -6.949 15.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.404 -8.566 15.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.870 -9.158 16.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.654 -9.746 14.681 1.00 0.00 H new ATOM 565 N LYS A 44 -2.417 -7.424 11.662 1.00 0.00 N ATOM 566 CA LYS A 44 -3.616 -8.045 11.112 1.00 0.00 C ATOM 567 C LYS A 44 -4.363 -7.065 10.221 1.00 0.00 C ATOM 568 O LYS A 44 -4.793 -7.411 9.123 1.00 0.00 O ATOM 569 CB LYS A 44 -4.554 -8.488 12.237 1.00 0.00 C ATOM 570 CG LYS A 44 -4.045 -9.674 13.039 1.00 0.00 C ATOM 571 CD LYS A 44 -3.967 -10.927 12.183 1.00 0.00 C ATOM 572 CE LYS A 44 -3.502 -12.124 12.997 1.00 0.00 C ATOM 573 NZ LYS A 44 -3.384 -13.351 12.162 1.00 0.00 N ATOM 0 H LYS A 44 -2.492 -7.176 12.649 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.303 -8.911 10.528 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.715 -7.648 12.913 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.523 -8.742 11.808 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.059 -9.446 13.444 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.705 -9.852 13.888 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.946 -11.136 11.751 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.281 -10.761 11.353 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.537 -11.901 13.452 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.204 -12.305 13.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.065 -14.144 12.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.310 -13.579 11.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.695 -13.188 11.401 1.00 0.00 H new ATOM 587 N PHE A 45 -4.508 -5.839 10.713 1.00 0.00 N ATOM 588 CA PHE A 45 -5.200 -4.782 9.981 1.00 0.00 C ATOM 589 C PHE A 45 -4.328 -4.257 8.851 1.00 0.00 C ATOM 590 O PHE A 45 -4.803 -4.029 7.741 1.00 0.00 O ATOM 591 CB PHE A 45 -5.536 -3.616 10.913 1.00 0.00 C ATOM 592 CG PHE A 45 -6.288 -2.502 10.243 1.00 0.00 C ATOM 593 CD1 PHE A 45 -7.643 -2.616 9.988 1.00 0.00 C ATOM 594 CD2 PHE A 45 -5.639 -1.338 9.868 1.00 0.00 C ATOM 595 CE1 PHE A 45 -8.334 -1.591 9.372 1.00 0.00 C ATOM 596 CE2 PHE A 45 -6.330 -0.312 9.251 1.00 0.00 C ATOM 597 CZ PHE A 45 -7.672 -0.435 9.003 1.00 0.00 C ATOM 0 H PHE A 45 -4.152 -5.550 11.624 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.117 -5.207 9.574 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.127 -3.990 11.749 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.611 -3.218 11.330 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.166 -3.517 10.274 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.582 -1.230 10.060 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -9.392 -1.693 9.179 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.810 0.590 8.963 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.210 0.368 8.521 1.00 0.00 H new ATOM 607 N THR A 46 -3.045 -4.071 9.152 1.00 0.00 N ATOM 608 CA THR A 46 -2.079 -3.574 8.178 1.00 0.00 C ATOM 609 C THR A 46 -1.716 -4.665 7.184 1.00 0.00 C ATOM 610 O THR A 46 -1.645 -4.423 5.981 1.00 0.00 O ATOM 611 CB THR A 46 -0.781 -3.104 8.860 1.00 0.00 C ATOM 612 OG1 THR A 46 -1.072 -2.024 9.756 1.00 0.00 O ATOM 613 CG2 THR A 46 0.223 -2.625 7.822 1.00 0.00 C ATOM 0 H THR A 46 -2.648 -4.260 10.073 1.00 0.00 H new ATOM 0 HA THR A 46 -2.548 -2.733 7.668 1.00 0.00 H new ATOM 0 HB THR A 46 -0.356 -3.944 9.410 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.596 -2.359 10.513 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.134 -2.297 8.322 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.458 -3.441 7.139 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.203 -1.793 7.261 1.00 0.00 H new ATOM 621 N SER A 47 -1.489 -5.866 7.705 1.00 0.00 N ATOM 622 CA SER A 47 -1.130 -7.018 6.884 1.00 0.00 C ATOM 623 C SER A 47 -2.347 -7.540 6.138 1.00 0.00 C ATOM 624 O SER A 47 -2.269 -7.876 4.959 1.00 0.00 O ATOM 625 CB SER A 47 -0.577 -8.146 7.757 1.00 0.00 C ATOM 626 OG SER A 47 -0.235 -9.276 6.973 1.00 0.00 O ATOM 0 H SER A 47 -1.548 -6.068 8.703 1.00 0.00 H new ATOM 0 HA SER A 47 -0.371 -6.695 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.302 -7.795 8.297 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.318 -8.429 8.504 1.00 0.00 H new ATOM 0 HG SER A 47 0.117 -9.982 7.554 1.00 0.00 H new ATOM 632 N LYS A 48 -3.471 -7.602 6.846 1.00 0.00 N ATOM 633 CA LYS A 48 -4.728 -8.081 6.276 1.00 0.00 C ATOM 634 C LYS A 48 -5.329 -7.032 5.356 1.00 0.00 C ATOM 635 O LYS A 48 -5.851 -7.351 4.290 1.00 0.00 O ATOM 636 CB LYS A 48 -5.737 -8.387 7.385 1.00 0.00 C ATOM 637 CG LYS A 48 -5.389 -9.608 8.221 1.00 0.00 C ATOM 638 CD LYS A 48 -5.440 -10.879 7.389 1.00 0.00 C ATOM 639 CE LYS A 48 -5.138 -12.105 8.236 1.00 0.00 C ATOM 640 NZ LYS A 48 -5.147 -13.355 7.426 1.00 0.00 N ATOM 0 H LYS A 48 -3.537 -7.324 7.825 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.512 -8.988 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.813 -7.520 8.041 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.720 -8.535 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.392 -9.489 8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.084 -9.690 9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.426 -10.981 6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.720 -10.811 6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.164 -11.987 8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.875 -12.185 9.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.937 -14.168 8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.084 -13.481 6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.426 -13.290 6.679 1.00 0.00 H new ATOM 654 N ALA A 49 -5.246 -5.775 5.785 1.00 0.00 N ATOM 655 CA ALA A 49 -5.775 -4.652 5.017 1.00 0.00 C ATOM 0 H ALA A 49 -4.813 -5.508 6.669 1.00 0.00 H new