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= -0.0272 (180deg=-0.468) 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 76:sc= 1.05 USER MOD Single : A 19 THR OG1 : rot 90:sc= -0.774! USER MOD Single : A 21 MET CE :methyl 166:sc=-0.00855 (180deg=-0.237) 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 124:sc= 1.1 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 -27.351 -32.113 78.519 1.00 0.00 C ATOM 2 C PRO A 6 -26.577 -32.892 77.468 1.00 0.00 C ATOM 3 O PRO A 6 -26.076 -32.321 76.501 1.00 0.00 O ATOM 5 N ALA A 7 -26.486 -34.203 77.675 1.00 0.00 N ATOM 6 CA ALA A 7 -25.778 -35.092 76.759 1.00 0.00 C ATOM 7 C ALA A 7 -26.546 -35.236 75.456 1.00 0.00 C ATOM 8 O ALA A 7 -25.957 -35.302 74.380 1.00 0.00 O ATOM 9 CB ALA A 7 -25.617 -36.472 77.378 1.00 0.00 C ATOM 0 H ALA A 7 -26.899 -34.677 78.478 1.00 0.00 H new ATOM 0 HA ALA A 7 -24.798 -34.657 76.563 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -25.087 -37.123 76.683 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -25.048 -36.391 78.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -26.600 -36.892 77.591 1.00 0.00 H new ATOM 15 N LYS A 8 -27.872 -35.284 75.573 1.00 0.00 N ATOM 16 CA LYS A 8 -28.752 -35.421 74.416 1.00 0.00 C ATOM 17 C LYS A 8 -28.415 -34.377 73.364 1.00 0.00 C ATOM 18 O LYS A 8 -28.336 -34.682 72.176 1.00 0.00 O ATOM 19 CB LYS A 8 -30.213 -35.236 74.830 1.00 0.00 C ATOM 20 CG LYS A 8 -31.208 -35.427 73.696 1.00 0.00 C ATOM 21 CD LYS A 8 -32.639 -35.285 74.188 1.00 0.00 C ATOM 22 CE LYS A 8 -33.633 -35.461 73.051 1.00 0.00 C ATOM 23 NZ LYS A 8 -35.041 -35.337 73.521 1.00 0.00 N ATOM 0 H LYS A 8 -28.363 -35.229 76.466 1.00 0.00 H new ATOM 0 HA LYS A 8 -28.607 -36.420 74.005 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -30.446 -35.943 75.627 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -30.338 -34.236 75.244 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -31.016 -34.693 72.913 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -31.070 -36.412 73.250 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -32.835 -36.026 74.963 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -32.774 -34.304 74.643 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -33.440 -34.714 72.281 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -33.489 -36.438 72.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -35.688 -35.463 72.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -35.233 -36.066 74.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -35.186 -34.395 73.938 1.00 0.00 H new ATOM 37 N ALA A 9 -28.220 -33.143 73.820 1.00 0.00 N ATOM 38 CA ALA A 9 -27.888 -32.030 72.937 1.00 0.00 C ATOM 39 C ALA A 9 -26.459 -32.154 72.436 1.00 0.00 C ATOM 40 O ALA A 9 -26.151 -31.776 71.307 1.00 0.00 O ATOM 41 CB ALA A 9 -28.026 -30.708 73.676 1.00 0.00 C ATOM 0 H ALA A 9 -28.287 -32.888 74.805 1.00 0.00 H new ATOM 0 HA ALA A 9 -28.578 -32.057 72.093 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -27.775 -29.887 73.004 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -29.052 -30.591 74.024 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -27.350 -30.697 74.531 1.00 0.00 H new ATOM 47 N ALA A 10 -25.593 -32.687 73.292 1.00 0.00 N ATOM 48 CA ALA A 10 -24.185 -32.874 72.962 1.00 0.00 C ATOM 49 C ALA A 10 -24.027 -33.934 71.884 1.00 0.00 C ATOM 50 O ALA A 10 -23.300 -33.741 70.911 1.00 0.00 O ATOM 51 CB ALA A 10 -23.407 -33.317 74.191 1.00 0.00 C ATOM 0 H ALA A 10 -25.846 -33.000 74.229 1.00 0.00 H new ATOM 0 HA ALA A 10 -23.797 -31.921 72.602 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -22.358 -33.452 73.928 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -23.491 -32.558 74.968 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -23.813 -34.259 74.559 1.00 0.00 H new ATOM 57 N PHE A 11 -24.718 -35.055 72.073 1.00 0.00 N ATOM 58 CA PHE A 11 -24.673 -36.169 71.129 1.00 0.00 C ATOM 59 C PHE A 11 -25.459 -35.830 69.873 1.00 0.00 C ATOM 60 O PHE A 11 -25.020 -36.111 68.759 1.00 0.00 O ATOM 61 CB PHE A 11 -25.278 -37.427 71.755 1.00 0.00 C ATOM 62 CG PHE A 11 -25.233 -38.632 70.860 1.00 0.00 C ATOM 63 CD1 PHE A 11 -24.059 -39.346 70.695 1.00 0.00 C ATOM 64 CD2 PHE A 11 -26.364 -39.052 70.182 1.00 0.00 C ATOM 65 CE1 PHE A 11 -24.017 -40.455 69.871 1.00 0.00 C ATOM 66 CE2 PHE A 11 -26.323 -40.160 69.358 1.00 0.00 C ATOM 67 CZ PHE A 11 -25.156 -40.861 69.201 1.00 0.00 C ATOM 0 H PHE A 11 -25.321 -35.217 72.879 1.00 0.00 H new ATOM 0 HA PHE A 11 -23.628 -36.350 70.875 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -24.747 -37.653 72.680 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -26.315 -37.225 72.024 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -23.166 -39.033 71.216 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -27.289 -38.507 70.298 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -23.095 -41.004 69.751 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -27.214 -40.475 68.835 1.00 0.00 H new ATOM 0 HZ PHE A 11 -25.126 -41.727 68.556 1.00 0.00 H new ATOM 77 N ASP A 12 -26.627 -35.227 70.071 1.00 0.00 N ATOM 78 CA ASP A 12 -27.501 -34.837 68.968 1.00 0.00 C ATOM 79 C ASP A 12 -26.923 -33.641 68.226 1.00 0.00 C ATOM 80 O ASP A 12 -27.006 -33.559 67.003 1.00 0.00 O ATOM 81 CB ASP A 12 -28.887 -34.457 69.492 1.00 0.00 C ATOM 82 CG ASP A 12 -29.894 -34.249 68.377 1.00 0.00 C ATOM 83 OD1 ASP A 12 -30.085 -35.181 67.568 1.00 0.00 O ATOM 84 OD2 ASP A 12 -30.493 -33.155 68.314 1.00 0.00 O ATOM 0 H ASP A 12 -26.993 -34.996 70.994 1.00 0.00 H new ATOM 0 HA ASP A 12 -27.581 -35.688 68.291 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -29.246 -35.240 70.160 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -28.811 -33.544 70.083 1.00 0.00 H new ATOM 90 N SER A 13 -26.335 -32.723 68.986 1.00 0.00 N ATOM 91 CA SER A 13 -25.732 -31.517 68.427 1.00 0.00 C ATOM 92 C SER A 13 -24.543 -31.876 67.549 1.00 0.00 C ATOM 93 O SER A 13 -24.392 -31.351 66.447 1.00 0.00 O ATOM 94 CB SER A 13 -25.247 -30.593 69.546 1.00 0.00 C ATOM 95 OG SER A 13 -24.648 -29.422 69.016 1.00 0.00 O ATOM 0 H SER A 13 -26.263 -32.792 70.001 1.00 0.00 H new ATOM 0 HA SER A 13 -26.491 -31.009 67.832 1.00 0.00 H new ATOM 0 HB2 SER A 13 -26.086 -30.319 70.185 1.00 0.00 H new ATOM 0 HB3 SER A 13 -24.528 -31.121 70.173 1.00 0.00 H new ATOM 0 HG SER A 13 -24.348 -28.847 69.751 1.00 0.00 H new ATOM 101 N LEU A 14 -23.706 -32.778 68.054 1.00 0.00 N ATOM 102 CA LEU A 14 -22.519 -33.228 67.335 1.00 0.00 C ATOM 103 C LEU A 14 -22.913 -33.973 66.070 1.00 0.00 C ATOM 104 O LEU A 14 -22.379 -33.715 64.994 1.00 0.00 O ATOM 105 CB LEU A 14 -21.687 -34.168 68.210 1.00 0.00 C ATOM 106 CG LEU A 14 -20.392 -34.700 67.592 1.00 0.00 C ATOM 107 CD1 LEU A 14 -19.425 -33.561 67.306 1.00 0.00 C ATOM 108 CD2 LEU A 14 -19.709 -35.678 68.535 1.00 0.00 C ATOM 0 H LEU A 14 -23.830 -33.215 68.967 1.00 0.00 H new ATOM 0 HA LEU A 14 -21.933 -32.346 67.077 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -21.436 -33.644 69.132 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -22.309 -35.019 68.486 1.00 0.00 H new ATOM 0 HG LEU A 14 -20.657 -35.204 66.663 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -18.511 -33.961 66.867 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -19.885 -32.859 66.610 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -19.185 -33.045 68.236 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -18.790 -36.044 68.077 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -19.471 -35.174 69.472 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -20.375 -36.518 68.734 1.00 0.00 H new ATOM 120 N GLN A 15 -23.855 -34.900 66.219 1.00 0.00 N ATOM 121 CA GLN A 15 -24.344 -35.703 65.101 1.00 0.00 C ATOM 122 C GLN A 15 -24.822 -34.807 63.971 1.00 0.00 C ATOM 123 O GLN A 15 -24.574 -35.081 62.799 1.00 0.00 O ATOM 124 CB GLN A 15 -25.512 -36.585 65.546 1.00 0.00 C ATOM 125 CG GLN A 15 -26.031 -37.519 64.464 1.00 0.00 C ATOM 126 CD GLN A 15 -27.144 -38.422 64.959 1.00 0.00 C ATOM 127 OE1 GLN A 15 -27.548 -38.346 66.120 1.00 0.00 O ATOM 128 NE2 GLN A 15 -27.643 -39.282 64.079 1.00 0.00 N ATOM 0 H GLN A 15 -24.299 -35.115 67.112 1.00 0.00 H new ATOM 0 HA GLN A 15 -23.520 -36.327 64.755 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -25.198 -37.179 66.404 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -26.329 -35.946 65.882 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -26.394 -36.929 63.623 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -25.209 -38.131 64.093 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -27.276 -39.309 63.128 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -28.393 -39.916 64.354 1.00 0.00 H new ATOM 137 N ALA A 16 -25.513 -33.733 64.345 1.00 0.00 N ATOM 138 CA ALA A 16 -26.045 -32.772 63.380 1.00 0.00 C ATOM 139 C ALA A 16 -24.920 -31.938 62.787 1.00 0.00 C ATOM 140 O ALA A 16 -24.827 -31.777 61.572 1.00 0.00 O ATOM 141 CB ALA A 16 -27.036 -31.836 64.055 1.00 0.00 C ATOM 0 H ALA A 16 -25.719 -33.505 65.317 1.00 0.00 H new ATOM 0 HA ALA A 16 -26.545 -33.332 62.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -27.423 -31.127 63.323 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -27.861 -32.416 64.469 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -26.536 -31.293 64.857 1.00 0.00 H new ATOM 147 N SER A 17 -24.071 -31.413 63.664 1.00 0.00 N ATOM 148 CA SER A 17 -22.937 -30.585 63.255 1.00 0.00 C ATOM 149 C SER A 17 -22.052 -31.342 62.278 1.00 0.00 C ATOM 150 O SER A 17 -21.771 -30.864 61.182 1.00 0.00 O ATOM 151 CB SER A 17 -22.093 -30.194 64.470 1.00 0.00 C ATOM 152 OG SER A 17 -22.820 -29.348 65.345 1.00 0.00 O ATOM 0 H SER A 17 -24.146 -31.547 64.672 1.00 0.00 H new ATOM 0 HA SER A 17 -23.334 -29.689 62.778 1.00 0.00 H new ATOM 0 HB2 SER A 17 -21.780 -31.092 65.003 1.00 0.00 H new ATOM 0 HB3 SER A 17 -21.186 -29.687 64.139 1.00 0.00 H new ATOM 0 HG SER A 17 -23.465 -29.881 65.854 1.00 0.00 H new ATOM 158 N ALA A 18 -21.623 -32.532 62.691 1.00 0.00 N ATOM 159 CA ALA A 18 -20.768 -33.382 61.870 1.00 0.00 C ATOM 160 C ALA A 18 -21.543 -33.930 60.684 1.00 0.00 C ATOM 161 O ALA A 18 -20.977 -34.181 59.622 1.00 0.00 O ATOM 162 CB ALA A 18 -20.245 -34.554 62.686 1.00 0.00 C ATOM 0 H ALA A 18 -21.857 -32.932 63.600 1.00 0.00 H new ATOM 0 HA ALA A 18 -19.935 -32.774 61.517 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -19.609 -35.179 62.059 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -19.667 -34.180 63.531 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -21.084 -35.145 63.054 1.00 0.00 H new ATOM 168 N THR A 19 -22.845 -34.114 60.883 1.00 0.00 N ATOM 169 CA THR A 19 -23.729 -34.635 59.844 1.00 0.00 C ATOM 170 C THR A 19 -23.998 -33.571 58.792 1.00 0.00 C ATOM 171 O THR A 19 -23.821 -33.803 57.598 1.00 0.00 O ATOM 172 CB THR A 19 -25.084 -35.079 60.426 1.00 0.00 C ATOM 173 OG1 THR A 19 -24.878 -36.135 61.372 1.00 0.00 O ATOM 174 CG2 THR A 19 -26.000 -35.580 59.320 1.00 0.00 C ATOM 0 H THR A 19 -23.316 -33.908 61.764 1.00 0.00 H new ATOM 0 HA THR A 19 -23.225 -35.493 59.400 1.00 0.00 H new ATOM 0 HB THR A 19 -25.548 -34.223 60.915 1.00 0.00 H new ATOM 0 HG1 THR A 19 -24.735 -35.753 62.263 1.00 0.00 H new ATOM 0 HG21 THR A 19 -26.953 -35.890 59.749 1.00 0.00 H new ATOM 0 HG22 THR A 19 -26.170 -34.781 58.598 1.00 0.00 H new ATOM 0 HG23 THR A 19 -25.535 -36.429 58.819 1.00 0.00 H new ATOM 182 N GLU A 20 -24.427 -32.400 59.256 1.00 0.00 N ATOM 183 CA GLU A 20 -24.730 -31.275 58.375 1.00 0.00 C ATOM 184 C GLU A 20 -23.485 -30.833 57.627 1.00 0.00 C ATOM 185 O GLU A 20 -23.532 -30.546 56.434 1.00 0.00 O ATOM 186 CB GLU A 20 -25.254 -30.087 59.184 1.00 0.00 C ATOM 187 CG GLU A 20 -26.633 -30.305 59.785 1.00 0.00 C ATOM 188 CD GLU A 20 -27.097 -29.130 60.622 1.00 0.00 C ATOM 189 OE1 GLU A 20 -26.318 -28.165 60.775 1.00 0.00 O ATOM 190 OE2 GLU A 20 -28.239 -29.173 61.126 1.00 0.00 O ATOM 0 H GLU A 20 -24.574 -32.205 60.246 1.00 0.00 H new ATOM 0 HA GLU A 20 -25.490 -31.605 57.666 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -24.550 -29.869 59.987 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -25.285 -29.208 58.540 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -27.351 -30.481 58.984 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -26.618 -31.203 60.403 1.00 0.00 H new ATOM 198 N MET A 21 -22.367 -30.786 58.349 1.00 0.00 N ATOM 199 CA MET A 21 -21.088 -30.381 57.777 1.00 0.00 C ATOM 200 C MET A 21 -20.635 -31.375 56.721 1.00 0.00 C ATOM 201 O MET A 21 -20.071 -30.997 55.697 1.00 0.00 O ATOM 202 CB MET A 21 -20.014 -30.310 58.864 1.00 0.00 C ATOM 203 CG MET A 21 -18.664 -29.813 58.371 1.00 0.00 C ATOM 204 SD MET A 21 -17.436 -29.714 59.687 1.00 0.00 S ATOM 205 CE MET A 21 -17.140 -31.451 60.006 1.00 0.00 C ATOM 0 H MET A 21 -22.323 -31.026 59.339 1.00 0.00 H new ATOM 0 HA MET A 21 -21.225 -29.399 57.325 1.00 0.00 H new ATOM 0 HB2 MET A 21 -20.362 -29.653 59.661 1.00 0.00 H new ATOM 0 HB3 MET A 21 -19.887 -31.301 59.300 1.00 0.00 H new ATOM 0 HG2 MET A 21 -18.300 -30.479 57.589 1.00 0.00 H new ATOM 0 HG3 MET A 21 -18.787 -28.829 57.919 1.00 0.00 H new ATOM 0 HE1 MET A 21 -16.238 -31.562 60.608 1.00 0.00 H new ATOM 0 HE2 MET A 21 -17.989 -31.872 60.544 1.00 0.00 H new ATOM 0 HE3 MET A 21 -17.012 -31.978 59.060 1.00 0.00 H new ATOM 215 N ILE A 22 -20.894 -32.654 56.988 1.00 0.00 N ATOM 216 CA ILE A 22 -20.524 -33.730 56.075 1.00 0.00 C ATOM 217 C ILE A 22 -21.157 -33.513 54.711 1.00 0.00 C ATOM 218 O ILE A 22 -20.586 -33.876 53.685 1.00 0.00 O ATOM 219 CB ILE A 22 -20.990 -35.101 56.600 1.00 0.00 C ATOM 220 CG1 ILE A 22 -20.294 -36.229 55.836 1.00 0.00 C ATOM 221 CG2 ILE A 22 -22.493 -35.256 56.424 1.00 0.00 C ATOM 222 CD1 ILE A 22 -20.456 -37.590 56.476 1.00 0.00 C ATOM 0 H ILE A 22 -21.363 -32.970 57.837 1.00 0.00 H new ATOM 0 HA ILE A 22 -19.437 -33.719 55.998 1.00 0.00 H new ATOM 0 HB ILE A 22 -20.735 -35.157 57.658 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -20.689 -36.266 54.821 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -19.231 -35.999 55.756 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -22.805 -36.230 56.800 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -23.007 -34.471 56.979 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -22.746 -35.178 55.367 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -19.936 -38.338 55.878 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -20.034 -37.572 57.481 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -21.515 -37.842 56.531 1.00 0.00 H new ATOM 234 N GLY A 23 -22.345 -32.913 54.717 1.00 0.00 N ATOM 235 CA GLY A 23 -23.084 -32.633 53.490 1.00 0.00 C ATOM 236 C GLY A 23 -22.415 -31.510 52.711 1.00 0.00 C ATOM 237 O GLY A 23 -22.444 -31.491 51.483 1.00 0.00 O ATOM 0 H GLY A 23 -22.820 -32.609 55.567 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -23.133 -33.531 52.875 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -24.110 -32.355 53.731 1.00 0.00 H new ATOM 241 N TYR A 24 -21.814 -30.579 53.446 1.00 0.00 N ATOM 242 CA TYR A 24 -21.126 -29.437 52.850 1.00 0.00 C ATOM 243 C TYR A 24 -19.919 -29.899 52.054 1.00 0.00 C ATOM 244 O TYR A 24 -19.703 -29.466 50.924 1.00 0.00 O ATOM 245 CB TYR A 24 -20.648 -28.473 53.937 1.00 0.00 C ATOM 246 CG TYR A 24 -19.910 -27.265 53.404 1.00 0.00 C ATOM 247 CD1 TYR A 24 -20.602 -26.199 52.844 1.00 0.00 C ATOM 248 CD2 TYR A 24 -18.524 -27.196 53.462 1.00 0.00 C ATOM 249 CE1 TYR A 24 -19.936 -25.092 52.354 1.00 0.00 C ATOM 250 CE2 TYR A 24 -17.841 -26.097 52.977 1.00 0.00 C ATOM 251 CZ TYR A 24 -18.560 -25.040 52.420 1.00 0.00 C ATOM 252 OH TYR A 24 -17.895 -23.939 51.933 1.00 0.00 O ATOM 0 H TYR A 24 -21.790 -30.594 54.466 1.00 0.00 H new ATOM 0 HA TYR A 24 -21.832 -28.931 52.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -21.509 -28.135 54.513 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -19.995 -29.011 54.625 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -21.680 -26.236 52.791 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -17.970 -28.016 53.894 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -20.490 -24.272 51.922 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.763 -26.057 53.029 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.930 -24.059 52.056 1.00 0.00 H new ATOM 262 N ALA A 25 -19.134 -30.788 52.660 1.00 0.00 N ATOM 263 CA ALA A 25 -17.934 -31.330 52.029 1.00 0.00 C ATOM 264 C ALA A 25 -18.290 -32.046 50.737 1.00 0.00 C ATOM 265 O ALA A 25 -17.674 -31.818 49.699 1.00 0.00 O ATOM 266 CB ALA A 25 -17.249 -32.321 52.957 1.00 0.00 C ATOM 0 H ALA A 25 -19.311 -31.151 53.597 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.263 -30.498 51.816 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.356 -32.716 52.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -16.967 -31.818 53.882 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -17.932 -33.140 53.183 1.00 0.00 H new ATOM 272 N TRP A 26 -19.294 -32.916 50.820 1.00 0.00 N ATOM 273 CA TRP A 26 -19.756 -33.684 49.668 1.00 0.00 C ATOM 274 C TRP A 26 -20.286 -32.756 48.587 1.00 0.00 C ATOM 275 O TRP A 26 -20.007 -32.941 47.404 1.00 0.00 O ATOM 276 CB TRP A 26 -20.878 -34.640 50.077 1.00 0.00 C ATOM 277 CG TRP A 26 -21.399 -35.472 48.945 1.00 0.00 C ATOM 278 CD1 TRP A 26 -22.577 -35.302 48.277 1.00 0.00 C ATOM 279 CD2 TRP A 26 -20.759 -36.607 48.348 1.00 0.00 C ATOM 280 NE1 TRP A 26 -22.711 -36.259 47.300 1.00 0.00 N ATOM 281 CE2 TRP A 26 -21.607 -37.073 47.324 1.00 0.00 C ATOM 282 CE3 TRP A 26 -19.552 -37.274 48.579 1.00 0.00 C ATOM 283 CZ2 TRP A 26 -21.287 -38.175 46.533 1.00 0.00 C ATOM 284 CZ3 TRP A 26 -19.239 -38.366 47.793 1.00 0.00 C ATOM 285 CH2 TRP A 26 -20.100 -38.808 46.782 1.00 0.00 C ATOM 0 H TRP A 26 -19.806 -33.107 51.681 1.00 0.00 H new ATOM 0 HA TRP A 26 -18.908 -34.251 49.285 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -20.513 -35.300 50.864 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -21.700 -34.063 50.501 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -23.300 -34.527 48.486 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -23.502 -36.349 46.662 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -18.879 -36.942 49.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -21.951 -38.516 45.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -18.310 -38.890 47.962 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -19.822 -39.665 46.187 1.00 0.00 H new ATOM 296 N ALA A 27 -21.053 -31.755 49.012 1.00 0.00 N ATOM 297 CA ALA A 27 -21.638 -30.779 48.099 1.00 0.00 C ATOM 298 C ALA A 27 -20.549 -29.927 47.463 1.00 0.00 C ATOM 299 O ALA A 27 -20.549 -29.706 46.255 1.00 0.00 O ATOM 300 CB ALA A 27 -22.595 -29.862 48.845 1.00 0.00 C ATOM 0 H ALA A 27 -21.285 -31.599 49.993 1.00 0.00 H new ATOM 0 HA ALA A 27 -22.178 -31.326 47.326 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -23.023 -29.140 48.150 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -23.394 -30.455 49.290 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -22.055 -29.334 49.630 1.00 0.00 H new ATOM 306 N MET A 28 -19.628 -29.454 48.297 1.00 0.00 N ATOM 307 CA MET A 28 -18.518 -28.622 47.843 1.00 0.00 C ATOM 308 C MET A 28 -17.549 -29.437 47.003 1.00 0.00 C ATOM 309 O MET A 28 -17.170 -29.034 45.906 1.00 0.00 O ATOM 310 CB MET A 28 -17.755 -28.047 49.038 1.00 0.00 C ATOM 311 CG MET A 28 -18.536 -27.014 49.834 1.00 0.00 C ATOM 312 SD MET A 28 -18.972 -25.565 48.855 1.00 0.00 S ATOM 313 CE MET A 28 -17.357 -24.836 48.592 1.00 0.00 C ATOM 0 H MET A 28 -19.629 -29.635 49.301 1.00 0.00 H new ATOM 0 HA MET A 28 -18.935 -27.812 47.245 1.00 0.00 H new ATOM 0 HB2 MET A 28 -17.472 -28.864 49.702 1.00 0.00 H new ATOM 0 HB3 MET A 28 -16.831 -27.592 48.681 1.00 0.00 H new ATOM 0 HG2 MET A 28 -19.446 -27.472 50.222 1.00 0.00 H new ATOM 0 HG3 MET A 28 -17.945 -26.701 50.695 1.00 0.00 H new ATOM 0 HE1 MET A 28 -17.462 -23.761 48.449 1.00 0.00 H new ATOM 0 HE2 MET A 28 -16.726 -25.027 49.460 1.00 0.00 H new ATOM 0 HE3 MET A 28 -16.899 -25.276 47.706 1.00 0.00 H new ATOM 323 N VAL A 29 -17.154 -30.590 47.538 1.00 0.00 N ATOM 324 CA VAL A 29 -16.228 -31.490 46.858 1.00 0.00 C ATOM 325 C VAL A 29 -16.837 -32.007 45.566 1.00 0.00 C ATOM 326 O VAL A 29 -16.207 -31.970 44.512 1.00 0.00 O ATOM 327 CB VAL A 29 -15.877 -32.707 47.735 1.00 0.00 C ATOM 328 CG1 VAL A 29 -15.082 -33.728 46.935 1.00 0.00 C ATOM 329 CG2 VAL A 29 -15.043 -32.278 48.932 1.00 0.00 C ATOM 0 H VAL A 29 -17.465 -30.925 48.450 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.325 -30.916 46.652 1.00 0.00 H new ATOM 0 HB VAL A 29 -16.812 -33.152 48.076 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -14.842 -34.581 47.570 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -15.674 -34.064 46.084 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -14.159 -33.271 46.577 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.804 -33.150 49.540 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.120 -31.814 48.585 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -15.606 -31.562 49.530 1.00 0.00 H new ATOM 339 N VAL A 30 -18.072 -32.488 45.666 1.00 0.00 N ATOM 340 CA VAL A 30 -18.798 -33.023 44.518 1.00 0.00 C ATOM 341 C VAL A 30 -18.894 -31.980 43.416 1.00 0.00 C ATOM 342 O VAL A 30 -18.721 -32.287 42.239 1.00 0.00 O ATOM 343 CB VAL A 30 -20.230 -33.441 44.901 1.00 0.00 C ATOM 344 CG1 VAL A 30 -21.031 -33.796 43.658 1.00 0.00 C ATOM 345 CG2 VAL A 30 -20.204 -34.653 45.819 1.00 0.00 C ATOM 0 H VAL A 30 -18.596 -32.518 46.540 1.00 0.00 H new ATOM 0 HA VAL A 30 -18.244 -33.896 44.171 1.00 0.00 H new ATOM 0 HB VAL A 30 -20.696 -32.599 45.414 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -22.040 -34.089 43.947 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -21.080 -32.931 42.997 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -20.548 -34.623 43.138 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -21.224 -34.934 46.079 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -19.717 -35.485 45.310 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -19.652 -34.410 46.727 1.00 0.00 H new ATOM 355 N VAL A 31 -19.174 -30.744 43.820 1.00 0.00 N ATOM 356 CA VAL A 31 -19.300 -29.627 42.886 1.00 0.00 C ATOM 357 C VAL A 31 -17.934 -29.208 42.367 1.00 0.00 C ATOM 358 O VAL A 31 -17.743 -29.031 41.167 1.00 0.00 O ATOM 359 CB VAL A 31 -19.947 -28.401 43.556 1.00 0.00 C ATOM 360 CG1 VAL A 31 -19.900 -27.198 42.626 1.00 0.00 C ATOM 361 CG2 VAL A 31 -21.401 -28.687 43.899 1.00 0.00 C ATOM 0 H VAL A 31 -19.319 -30.489 44.797 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.931 -29.971 42.067 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.387 -28.186 44.466 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -20.362 -26.341 43.116 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -18.863 -26.964 42.386 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.442 -27.426 41.708 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -21.843 -27.810 44.372 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -21.950 -28.923 42.988 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -21.454 -29.533 44.584 1.00 0.00 H new ATOM 371 N ILE A 32 -16.991 -29.057 43.292 1.00 0.00 N ATOM 372 CA ILE A 32 -15.628 -28.656 42.957 1.00 0.00 C ATOM 373 C ILE A 32 -14.976 -29.693 42.055 1.00 0.00 C ATOM 374 O ILE A 32 -14.437 -29.364 41.001 1.00 0.00 O ATOM 375 CB ILE A 32 -14.757 -28.509 44.218 1.00 0.00 C ATOM 376 CG1 ILE A 32 -15.238 -27.329 45.065 1.00 0.00 C ATOM 377 CG2 ILE A 32 -13.304 -28.268 43.837 1.00 0.00 C ATOM 378 CD1 ILE A 32 -14.601 -27.261 46.436 1.00 0.00 C ATOM 0 H ILE A 32 -17.148 -29.208 44.288 1.00 0.00 H new ATOM 0 HA ILE A 32 -15.696 -27.694 42.448 1.00 0.00 H new ATOM 0 HB ILE A 32 -14.840 -29.433 44.790 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -15.029 -26.402 44.531 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -16.320 -27.394 45.180 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.703 -28.166 44.741 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -12.937 -29.110 43.250 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -13.229 -27.355 43.247 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -14.992 -26.399 46.976 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.831 -28.171 46.990 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.520 -27.164 46.331 1.00 0.00 H new ATOM 390 N VAL A 33 -15.036 -30.951 42.487 1.00 0.00 N ATOM 391 CA VAL A 33 -14.460 -32.063 41.737 1.00 0.00 C ATOM 392 C VAL A 33 -15.327 -32.400 40.535 1.00 0.00 C ATOM 393 O VAL A 33 -14.831 -32.548 39.421 1.00 0.00 O ATOM 394 CB VAL A 33 -14.342 -33.329 42.606 1.00 0.00 C ATOM 395 CG1 VAL A 33 -13.916 -34.518 41.759 1.00 0.00 C ATOM 396 CG2 VAL A 33 -13.311 -33.127 43.705 1.00 0.00 C ATOM 0 H VAL A 33 -15.483 -31.226 43.362 1.00 0.00 H new ATOM 0 HA VAL A 33 -13.467 -31.748 41.416 1.00 0.00 H new ATOM 0 HB VAL A 33 -15.320 -33.521 43.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.838 -35.404 42.389 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.656 -34.692 40.978 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.948 -34.311 41.302 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.241 -34.032 44.309 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.340 -32.913 43.258 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.612 -32.291 44.337 1.00 0.00 H new ATOM 406 N GLY A 34 -16.627 -32.519 40.782 1.00 0.00 N ATOM 407 CA GLY A 34 -17.593 -32.841 39.735 1.00 0.00 C ATOM 408 C GLY A 34 -17.839 -31.633 38.847 1.00 0.00 C ATOM 409 O GLY A 34 -17.727 -31.714 37.626 1.00 0.00 O ATOM 0 H GLY A 34 -17.040 -32.396 41.707 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.223 -33.672 39.134 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.531 -33.166 40.185 1.00 0.00 H new ATOM 413 N ALA A 35 -18.174 -30.512 39.480 1.00 0.00 N ATOM 414 CA ALA A 35 -18.440 -29.265 38.770 1.00 0.00 C ATOM 415 C ALA A 35 -17.153 -28.687 38.203 1.00 0.00 C ATOM 416 O ALA A 35 -17.053 -28.423 37.007 1.00 0.00 O ATOM 417 CB ALA A 35 -19.054 -28.240 39.711 1.00 0.00 C ATOM 0 H ALA A 35 -18.268 -30.442 40.493 1.00 0.00 H new ATOM 0 HA ALA A 35 -19.133 -29.486 37.958 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -19.246 -27.316 39.167 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -19.991 -28.628 40.110 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -18.365 -28.041 40.532 1.00 0.00 H new ATOM 423 N THR A 36 -16.173 -28.495 39.082 1.00 0.00 N ATOM 424 CA THR A 36 -14.875 -27.949 38.697 1.00 0.00 C ATOM 425 C THR A 36 -14.169 -28.888 37.734 1.00 0.00 C ATOM 426 O THR A 36 -13.774 -28.488 36.640 1.00 0.00 O ATOM 427 CB THR A 36 -13.961 -27.750 39.920 1.00 0.00 C ATOM 428 OG1 THR A 36 -14.571 -26.826 40.830 1.00 0.00 O ATOM 429 CG2 THR A 36 -12.610 -27.199 39.492 1.00 0.00 C ATOM 0 H THR A 36 -16.255 -28.712 40.075 1.00 0.00 H new ATOM 0 HA THR A 36 -15.064 -26.986 38.224 1.00 0.00 H new ATOM 0 HB THR A 36 -13.817 -28.716 40.405 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.874 -26.339 41.318 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.977 -27.065 40.369 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.133 -27.898 38.804 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.749 -26.239 38.995 1.00 0.00 H new ATOM 437 N ILE A 37 -14.014 -30.138 38.158 1.00 0.00 N ATOM 438 CA ILE A 37 -13.355 -31.160 37.351 1.00 0.00 C ATOM 439 C ILE A 37 -14.258 -31.605 36.212 1.00 0.00 C ATOM 440 O ILE A 37 -13.793 -31.872 35.105 1.00 0.00 O ATOM 441 CB ILE A 37 -13.005 -32.403 38.190 1.00 0.00 C ATOM 442 CG1 ILE A 37 -11.935 -32.061 39.229 1.00 0.00 C ATOM 443 CG2 ILE A 37 -12.474 -33.515 37.299 1.00 0.00 C ATOM 444 CD1 ILE A 37 -11.709 -33.151 40.254 1.00 0.00 C ATOM 0 H ILE A 37 -14.340 -30.470 39.066 1.00 0.00 H new ATOM 0 HA ILE A 37 -12.440 -30.713 36.961 1.00 0.00 H new ATOM 0 HB ILE A 37 -13.915 -32.735 38.690 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.995 -31.857 38.716 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -12.222 -31.144 39.744 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.232 -34.385 37.909 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.232 -33.786 36.564 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.577 -33.172 36.784 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -10.937 -32.836 40.956 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.636 -33.340 40.795 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.391 -34.064 39.750 1.00 0.00 H new ATOM 456 N GLY A 38 -15.555 -31.678 36.502 1.00 0.00 N ATOM 457 CA GLY A 38 -16.552 -32.086 35.517 1.00 0.00 C ATOM 458 C GLY A 38 -16.680 -31.042 34.422 1.00 0.00 C ATOM 459 O GLY A 38 -16.682 -31.364 33.236 1.00 0.00 O ATOM 0 H GLY A 38 -15.942 -31.458 37.420 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.270 -33.045 35.082 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.516 -32.229 36.005 1.00 0.00 H new ATOM 463 N ILE A 39 -16.788 -29.782 34.839 1.00 0.00 N ATOM 464 CA ILE A 39 -16.917 -28.662 33.913 1.00 0.00 C ATOM 465 C ILE A 39 -15.721 -28.601 32.976 1.00 0.00 C ATOM 466 O ILE A 39 -15.870 -28.377 31.777 1.00 0.00 O ATOM 467 CB ILE A 39 -16.999 -27.318 34.661 1.00 0.00 C ATOM 468 CG1 ILE A 39 -18.306 -27.227 35.452 1.00 0.00 C ATOM 469 CG2 ILE A 39 -16.950 -26.158 33.678 1.00 0.00 C ATOM 470 CD1 ILE A 39 -19.548 -27.309 34.592 1.00 0.00 C ATOM 0 H ILE A 39 -16.788 -29.511 35.822 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.836 -28.824 33.349 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.149 -27.262 35.341 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -18.331 -28.031 36.188 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -18.320 -26.288 36.005 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.009 -25.216 34.223 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -16.016 -26.195 33.118 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -17.790 -26.231 32.987 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.433 -27.237 35.224 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -19.548 -26.489 33.873 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -19.559 -28.259 34.058 1.00 0.00 H new ATOM 482 N LYS A 40 -14.537 -28.806 33.545 1.00 0.00 N ATOM 483 CA LYS A 40 -13.292 -28.782 32.782 1.00 0.00 C ATOM 484 C LYS A 40 -13.346 -29.786 31.643 1.00 0.00 C ATOM 485 O LYS A 40 -12.970 -29.479 30.514 1.00 0.00 O ATOM 486 CB LYS A 40 -12.106 -29.135 33.681 1.00 0.00 C ATOM 487 CG LYS A 40 -10.758 -29.085 32.979 1.00 0.00 C ATOM 488 CD LYS A 40 -9.622 -29.390 33.942 1.00 0.00 C ATOM 489 CE LYS A 40 -8.276 -29.355 33.237 1.00 0.00 C ATOM 490 NZ LYS A 40 -7.152 -29.640 34.171 1.00 0.00 N ATOM 0 H LYS A 40 -14.413 -28.992 34.540 1.00 0.00 H new ATOM 0 HA LYS A 40 -13.167 -27.776 32.382 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.088 -28.448 34.527 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.256 -30.136 34.086 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.746 -29.803 32.159 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.611 -28.098 32.540 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.628 -28.665 34.756 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.775 -30.372 34.389 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.271 -30.086 32.429 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.130 -28.375 32.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.252 -29.607 33.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.141 -28.928 34.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.277 -30.585 34.586 1.00 0.00 H new ATOM 504 N LEU A 41 -13.818 -30.989 31.958 1.00 0.00 N ATOM 505 CA LEU A 41 -13.934 -32.063 30.978 1.00 0.00 C ATOM 506 C LEU A 41 -14.749 -31.605 29.780 1.00 0.00 C ATOM 507 O LEU A 41 -14.497 -32.017 28.650 1.00 0.00 O ATOM 508 CB LEU A 41 -14.625 -33.280 31.596 1.00 0.00 C ATOM 509 CG LEU A 41 -14.671 -34.544 30.735 1.00 0.00 C ATOM 510 CD1 LEU A 41 -13.266 -35.058 30.460 1.00 0.00 C ATOM 511 CD2 LEU A 41 -15.451 -35.645 31.437 1.00 0.00 C ATOM 0 H LEU A 41 -14.129 -31.245 32.895 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.927 -32.332 30.659 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -14.120 -33.522 32.531 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -15.648 -33.001 31.849 1.00 0.00 H new ATOM 0 HG LEU A 41 -15.161 -34.282 29.797 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.321 -35.957 29.846 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.696 -34.293 29.933 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.773 -35.292 31.404 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.471 -36.535 30.807 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.971 -35.883 32.386 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.471 -35.308 31.621 1.00 0.00 H new ATOM 523 N PHE A 42 -15.731 -30.748 30.046 1.00 0.00 N ATOM 524 CA PHE A 42 -16.605 -30.213 29.005 1.00 0.00 C ATOM 525 C PHE A 42 -15.798 -29.420 27.991 1.00 0.00 C ATOM 526 O PHE A 42 -15.995 -29.558 26.785 1.00 0.00 O ATOM 527 CB PHE A 42 -17.660 -29.288 29.615 1.00 0.00 C ATOM 528 CG PHE A 42 -18.611 -28.706 28.607 1.00 0.00 C ATOM 529 CD1 PHE A 42 -19.650 -29.464 28.096 1.00 0.00 C ATOM 530 CD2 PHE A 42 -18.466 -27.401 28.171 1.00 0.00 C ATOM 531 CE1 PHE A 42 -20.524 -28.928 27.170 1.00 0.00 C ATOM 532 CE2 PHE A 42 -19.340 -26.865 27.244 1.00 0.00 C ATOM 533 CZ PHE A 42 -20.366 -27.623 26.744 1.00 0.00 C ATOM 0 H PHE A 42 -15.943 -30.406 30.983 1.00 0.00 H new ATOM 0 HA PHE A 42 -17.092 -31.055 28.513 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -18.230 -29.843 30.360 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.158 -28.475 30.139 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -19.779 -30.485 28.424 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -17.661 -26.794 28.559 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -21.331 -29.529 26.779 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -19.214 -25.845 26.913 1.00 0.00 H new ATOM 0 HZ PHE A 42 -21.048 -27.202 26.020 1.00 0.00 H new ATOM 543 N LYS A 43 -14.893 -28.589 28.498 1.00 0.00 N ATOM 544 CA LYS A 43 -14.039 -27.757 27.656 1.00 0.00 C ATOM 545 C LYS A 43 -13.013 -28.610 26.928 1.00 0.00 C ATOM 546 O LYS A 43 -12.764 -28.424 25.740 1.00 0.00 O ATOM 547 CB LYS A 43 -13.294 -26.724 28.504 1.00 0.00 C ATOM 548 CG LYS A 43 -14.183 -25.630 29.073 1.00 0.00 C ATOM 549 CD LYS A 43 -13.377 -24.633 29.890 1.00 0.00 C ATOM 550 CE LYS A 43 -14.266 -23.540 30.459 1.00 0.00 C ATOM 551 NZ LYS A 43 -13.492 -22.563 31.274 1.00 0.00 N ATOM 0 H LYS A 43 -14.731 -28.473 29.498 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.679 -27.251 26.933 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.795 -27.237 29.327 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.515 -26.264 27.896 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.691 -25.111 28.260 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.956 -26.075 29.699 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.869 -25.152 30.703 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.604 -24.187 29.264 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.766 -23.017 29.643 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.045 -23.989 31.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.134 -21.834 31.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.036 -23.057 32.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.765 -22.115 30.681 1.00 0.00 H new ATOM 565 N LYS A 44 -12.423 -29.551 27.662 1.00 0.00 N ATOM 566 CA LYS A 44 -11.417 -30.453 27.112 1.00 0.00 C ATOM 567 C LYS A 44 -12.069 -31.499 26.221 1.00 0.00 C ATOM 568 O LYS A 44 -11.591 -31.778 25.123 1.00 0.00 O ATOM 569 CB LYS A 44 -10.671 -31.173 28.237 1.00 0.00 C ATOM 570 CG LYS A 44 -9.742 -30.277 29.039 1.00 0.00 C ATOM 571 CD LYS A 44 -8.598 -29.760 28.183 1.00 0.00 C ATOM 572 CE LYS A 44 -7.643 -28.901 28.997 1.00 0.00 C ATOM 573 NZ LYS A 44 -6.537 -28.356 28.162 1.00 0.00 N ATOM 0 H LYS A 44 -12.628 -29.708 28.649 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.718 -29.854 26.528 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.400 -31.621 28.913 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.090 -31.990 27.808 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.305 -29.436 29.444 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.342 -30.831 29.888 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.056 -30.601 27.751 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.997 -29.177 27.353 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.194 -28.078 29.452 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.225 -29.494 29.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.908 -27.776 28.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.996 -29.141 27.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.934 -27.769 27.400 1.00 0.00 H new ATOM 587 N PHE A 45 -13.163 -32.068 26.713 1.00 0.00 N ATOM 588 CA PHE A 45 -13.907 -33.091 25.981 1.00 0.00 C ATOM 589 C PHE A 45 -14.706 -32.461 24.851 1.00 0.00 C ATOM 590 O PHE A 45 -14.752 -32.987 23.741 1.00 0.00 O ATOM 591 CB PHE A 45 -14.878 -33.818 26.914 1.00 0.00 C ATOM 592 CG PHE A 45 -15.654 -34.915 26.244 1.00 0.00 C ATOM 593 CD1 PHE A 45 -15.067 -36.143 25.990 1.00 0.00 C ATOM 594 CD2 PHE A 45 -16.972 -34.721 25.869 1.00 0.00 C ATOM 595 CE1 PHE A 45 -15.781 -37.153 25.374 1.00 0.00 C ATOM 596 CE2 PHE A 45 -17.687 -35.731 25.253 1.00 0.00 C ATOM 597 CZ PHE A 45 -17.097 -36.943 25.005 1.00 0.00 C ATOM 0 H PHE A 45 -13.559 -31.837 27.624 1.00 0.00 H new ATOM 0 HA PHE A 45 -13.186 -33.799 25.574 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -14.318 -34.239 27.749 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -15.577 -33.094 27.332 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -14.040 -36.313 26.277 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -17.447 -33.770 26.060 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -15.311 -38.106 25.181 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -18.715 -35.564 24.966 1.00 0.00 H new ATOM 0 HZ PHE A 45 -17.658 -37.731 24.523 1.00 0.00 H new ATOM 607 N THR A 46 -15.334 -31.328 25.152 1.00 0.00 N ATOM 608 CA THR A 46 -16.142 -30.600 24.178 1.00 0.00 C ATOM 609 C THR A 46 -15.252 -29.876 23.184 1.00 0.00 C ATOM 610 O THR A 46 -15.502 -29.895 21.981 1.00 0.00 O ATOM 611 CB THR A 46 -17.040 -29.552 24.861 1.00 0.00 C ATOM 612 OG1 THR A 46 -17.946 -30.206 25.758 1.00 0.00 O ATOM 613 CG2 THR A 46 -17.844 -28.782 23.823 1.00 0.00 C ATOM 0 H THR A 46 -15.298 -30.890 26.073 1.00 0.00 H new ATOM 0 HA THR A 46 -16.764 -31.336 23.669 1.00 0.00 H new ATOM 0 HB THR A 46 -16.405 -28.857 25.411 1.00 0.00 H new ATOM 0 HG1 THR A 46 -17.840 -29.835 26.659 1.00 0.00 H new ATOM 0 HG21 THR A 46 -18.473 -28.046 24.323 1.00 0.00 H new ATOM 0 HG22 THR A 46 -17.164 -28.274 23.140 1.00 0.00 H new ATOM 0 HG23 THR A 46 -18.472 -29.474 23.262 1.00 0.00 H new ATOM 621 N SER A 47 -14.208 -29.237 23.705 1.00 0.00 N ATOM 622 CA SER A 47 -13.258 -28.492 22.884 1.00 0.00 C ATOM 623 C SER A 47 -12.339 -29.446 22.138 1.00 0.00 C ATOM 624 O SER A 47 -12.052 -29.253 20.959 1.00 0.00 O ATOM 625 CB SER A 47 -12.399 -27.575 23.757 1.00 0.00 C ATOM 626 OG SER A 47 -11.464 -26.854 22.974 1.00 0.00 O ATOM 0 H SER A 47 -13.997 -29.221 24.703 1.00 0.00 H new ATOM 0 HA SER A 47 -13.829 -27.895 22.172 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.039 -26.878 24.298 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.872 -28.168 24.504 1.00 0.00 H new ATOM 0 HG SER A 47 -10.929 -26.274 23.555 1.00 0.00 H new ATOM 632 N LYS A 48 -11.883 -30.474 22.846 1.00 0.00 N ATOM 633 CA LYS A 48 -10.988 -31.480 22.276 1.00 0.00 C ATOM 634 C LYS A 48 -11.758 -32.414 21.356 1.00 0.00 C ATOM 635 O LYS A 48 -11.272 -32.789 20.290 1.00 0.00 O ATOM 636 CB LYS A 48 -10.344 -32.314 23.385 1.00 0.00 C ATOM 637 CG LYS A 48 -9.326 -31.555 24.221 1.00 0.00 C ATOM 638 CD LYS A 48 -8.119 -31.152 23.390 1.00 0.00 C ATOM 639 CE LYS A 48 -7.081 -30.434 24.236 1.00 0.00 C ATOM 640 NZ LYS A 48 -5.909 -29.999 23.426 1.00 0.00 N ATOM 0 H LYS A 48 -12.120 -30.635 23.825 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.215 -30.958 21.712 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.127 -32.693 24.042 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.857 -33.180 22.937 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.791 -30.665 24.645 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.004 -32.176 25.057 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.673 -32.038 22.939 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.437 -30.504 22.573 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.537 -29.565 24.710 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.745 -31.094 25.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.224 -29.513 24.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.458 -30.830 22.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.226 -29.349 22.678 1.00 0.00 H new ATOM 654 N ALA A 49 -12.961 -32.781 21.785 1.00 0.00 N ATOM 655 CA ALA A 49 -13.824 -33.675 21.017 1.00 0.00 C ATOM 0 H ALA A 49 -13.364 -32.470 22.669 1.00 0.00 H new