USER MOD reduce.3.24.130724 H: found=0, std=0, add=335, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 339 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 17 SER OG : rot 77:sc= 1.04 USER MOD Single : A 19 THR OG1 : rot 88:sc= -0.766! USER MOD Single : A 21 MET CE :methyl 165:sc=-0.00681 (180deg=-0.231) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 166:sc=-0.00892 (180deg=-0.238) USER MOD Single : A 36 THR OG1 : rot -150:sc= -1.48! 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 127:sc= 1.02! 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 -1.469 -51.276 46.519 1.00 0.00 C ATOM 2 C PRO A 6 -0.445 -50.878 45.468 1.00 0.00 C ATOM 3 O PRO A 6 -0.768 -50.191 44.501 1.00 0.00 O ATOM 5 N ALA A 7 0.793 -51.319 45.675 1.00 0.00 N ATOM 6 CA ALA A 7 1.890 -51.024 44.759 1.00 0.00 C ATOM 7 C ALA A 7 1.716 -51.786 43.456 1.00 0.00 C ATOM 8 O ALA A 7 2.012 -51.272 42.380 1.00 0.00 O ATOM 9 CB ALA A 7 3.220 -51.426 45.378 1.00 0.00 C ATOM 0 H ALA A 7 1.063 -51.888 46.478 1.00 0.00 H new ATOM 0 HA ALA A 7 1.881 -49.952 44.563 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.028 -51.200 44.683 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.372 -50.872 46.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.214 -52.495 45.591 1.00 0.00 H new ATOM 15 N LYS A 8 1.230 -53.020 43.573 1.00 0.00 N ATOM 16 CA LYS A 8 1.005 -53.882 42.416 1.00 0.00 C ATOM 17 C LYS A 8 0.182 -53.156 41.364 1.00 0.00 C ATOM 18 O LYS A 8 0.493 -53.205 40.176 1.00 0.00 O ATOM 19 CB LYS A 8 0.253 -55.149 42.830 1.00 0.00 C ATOM 20 CG LYS A 8 0.031 -56.137 41.696 1.00 0.00 C ATOM 21 CD LYS A 8 -0.670 -57.393 42.188 1.00 0.00 C ATOM 22 CE LYS A 8 -0.904 -58.375 41.052 1.00 0.00 C ATOM 23 NZ LYS A 8 -1.580 -59.616 41.521 1.00 0.00 N ATOM 0 H LYS A 8 0.983 -53.448 44.466 1.00 0.00 H new ATOM 0 HA LYS A 8 1.979 -54.148 42.005 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.809 -55.645 43.626 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.714 -54.865 43.245 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.565 -55.668 40.913 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.989 -56.404 41.250 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.069 -57.867 42.964 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.624 -57.125 42.643 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.511 -57.900 40.281 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.050 -58.633 40.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.721 -60.260 40.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.989 -60.083 42.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.502 -59.373 41.936 1.00 0.00 H new ATOM 37 N ALA A 9 -0.871 -52.484 41.820 1.00 0.00 N ATOM 38 CA ALA A 9 -1.760 -51.736 40.937 1.00 0.00 C ATOM 39 C ALA A 9 -1.075 -50.475 40.436 1.00 0.00 C ATOM 40 O ALA A 9 -1.298 -50.042 39.307 1.00 0.00 O ATOM 41 CB ALA A 9 -3.027 -51.335 41.676 1.00 0.00 C ATOM 0 H ALA A 9 -1.131 -52.442 42.805 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.011 -52.379 40.094 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.679 -50.778 41.004 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.543 -52.229 42.024 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.767 -50.710 42.530 1.00 0.00 H new ATOM 47 N ALA A 10 -0.241 -49.894 41.292 1.00 0.00 N ATOM 48 CA ALA A 10 0.494 -48.678 40.962 1.00 0.00 C ATOM 49 C ALA A 10 1.529 -48.956 39.884 1.00 0.00 C ATOM 50 O ALA A 10 1.642 -48.213 38.911 1.00 0.00 O ATOM 51 CB ALA A 10 1.212 -48.142 42.191 1.00 0.00 C ATOM 0 H ALA A 10 -0.056 -50.250 42.230 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.225 -47.942 40.602 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.756 -47.235 41.928 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.483 -47.915 42.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.913 -48.891 42.558 1.00 0.00 H new ATOM 57 N PHE A 11 2.280 -50.037 40.073 1.00 0.00 N ATOM 58 CA PHE A 11 3.319 -50.441 39.129 1.00 0.00 C ATOM 59 C PHE A 11 2.695 -51.027 37.873 1.00 0.00 C ATOM 60 O PHE A 11 3.128 -50.736 36.759 1.00 0.00 O ATOM 61 CB PHE A 11 4.231 -51.498 39.756 1.00 0.00 C ATOM 62 CG PHE A 11 5.353 -51.938 38.860 1.00 0.00 C ATOM 63 CD1 PHE A 11 6.477 -51.147 38.694 1.00 0.00 C ATOM 64 CD2 PHE A 11 5.286 -53.143 38.183 1.00 0.00 C ATOM 65 CE1 PHE A 11 7.510 -51.551 37.870 1.00 0.00 C ATOM 66 CE2 PHE A 11 6.319 -53.548 37.359 1.00 0.00 C ATOM 67 CZ PHE A 11 7.428 -52.758 37.201 1.00 0.00 C ATOM 0 H PHE A 11 2.187 -50.655 40.879 1.00 0.00 H new ATOM 0 HA PHE A 11 3.901 -49.555 38.875 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.651 -51.100 40.680 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.632 -52.367 40.026 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.547 -50.203 39.215 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.417 -53.774 38.300 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.381 -50.924 37.749 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.252 -54.491 36.837 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.234 -53.077 36.557 1.00 0.00 H new ATOM 77 N ASP A 12 1.675 -51.856 38.071 1.00 0.00 N ATOM 78 CA ASP A 12 0.968 -52.502 36.968 1.00 0.00 C ATOM 79 C ASP A 12 0.104 -51.494 36.226 1.00 0.00 C ATOM 80 O ASP A 12 -0.005 -51.538 35.003 1.00 0.00 O ATOM 81 CB ASP A 12 0.065 -53.620 37.492 1.00 0.00 C ATOM 82 CG ASP A 12 -0.528 -54.461 36.379 1.00 0.00 C ATOM 83 OD1 ASP A 12 0.250 -55.009 35.570 1.00 0.00 O ATOM 84 OD2 ASP A 12 -1.770 -54.571 36.315 1.00 0.00 O ATOM 0 H ASP A 12 1.316 -52.099 38.994 1.00 0.00 H new ATOM 0 HA ASP A 12 1.716 -52.917 36.292 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.639 -54.262 38.161 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.741 -53.184 38.082 1.00 0.00 H new ATOM 90 N SER A 13 -0.504 -50.589 36.986 1.00 0.00 N ATOM 91 CA SER A 13 -1.368 -49.554 36.427 1.00 0.00 C ATOM 92 C SER A 13 -0.565 -48.607 35.549 1.00 0.00 C ATOM 93 O SER A 13 -0.985 -48.259 34.447 1.00 0.00 O ATOM 94 CB SER A 13 -2.021 -48.740 37.545 1.00 0.00 C ATOM 95 OG SER A 13 -2.864 -47.730 37.016 1.00 0.00 O ATOM 0 H SER A 13 -0.413 -50.552 38.001 1.00 0.00 H new ATOM 0 HA SER A 13 -2.136 -50.048 35.832 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.601 -49.401 38.189 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.249 -48.285 38.166 1.00 0.00 H new ATOM 0 HG SER A 13 -3.270 -47.225 37.751 1.00 0.00 H new ATOM 101 N LEU A 14 0.597 -48.200 36.054 1.00 0.00 N ATOM 102 CA LEU A 14 1.484 -47.292 35.335 1.00 0.00 C ATOM 103 C LEU A 14 2.009 -47.951 34.070 1.00 0.00 C ATOM 104 O LEU A 14 1.986 -47.358 32.994 1.00 0.00 O ATOM 105 CB LEU A 14 2.678 -46.905 36.210 1.00 0.00 C ATOM 106 CG LEU A 14 3.684 -45.931 35.592 1.00 0.00 C ATOM 107 CD1 LEU A 14 3.027 -44.590 35.306 1.00 0.00 C ATOM 108 CD2 LEU A 14 4.854 -45.696 36.535 1.00 0.00 C ATOM 0 H LEU A 14 0.948 -48.489 36.967 1.00 0.00 H new ATOM 0 HA LEU A 14 0.910 -46.402 35.077 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.298 -46.465 37.132 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.209 -47.816 36.486 1.00 0.00 H new ATOM 0 HG LEU A 14 4.040 -46.376 34.663 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.759 -43.912 34.867 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.200 -44.731 34.610 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.650 -44.164 36.236 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.557 -45.001 36.076 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.488 -45.276 37.472 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.357 -46.642 36.734 1.00 0.00 H new ATOM 120 N GLN A 15 2.483 -49.185 34.219 1.00 0.00 N ATOM 121 CA GLN A 15 3.024 -49.953 33.101 1.00 0.00 C ATOM 122 C GLN A 15 2.011 -50.034 31.971 1.00 0.00 C ATOM 123 O GLN A 15 2.361 -49.916 30.799 1.00 0.00 O ATOM 124 CB GLN A 15 3.368 -51.376 33.545 1.00 0.00 C ATOM 125 CG GLN A 15 4.017 -52.224 32.463 1.00 0.00 C ATOM 126 CD GLN A 15 4.402 -53.605 32.958 1.00 0.00 C ATOM 127 OE1 GLN A 15 4.172 -53.945 34.118 1.00 0.00 O ATOM 128 NE2 GLN A 15 4.991 -54.404 32.077 1.00 0.00 N ATOM 0 H GLN A 15 2.503 -49.678 35.112 1.00 0.00 H new ATOM 0 HA GLN A 15 3.924 -49.446 32.755 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.038 -51.325 34.403 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.457 -51.870 33.881 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.330 -52.322 31.622 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.906 -51.714 32.091 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.161 -54.077 31.126 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.274 -55.345 32.351 1.00 0.00 H new ATOM 137 N ALA A 16 0.750 -50.238 32.345 1.00 0.00 N ATOM 138 CA ALA A 16 -0.343 -50.342 31.380 1.00 0.00 C ATOM 139 C ALA A 16 -0.658 -48.978 30.787 1.00 0.00 C ATOM 140 O ALA A 16 -0.769 -48.829 29.572 1.00 0.00 O ATOM 141 CB ALA A 16 -1.597 -50.877 32.055 1.00 0.00 C ATOM 0 H ALA A 16 0.458 -50.335 33.317 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.029 -51.024 30.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.402 -50.949 31.323 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.394 -51.865 32.469 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.895 -50.202 32.857 1.00 0.00 H new ATOM 147 N SER A 17 -0.801 -47.990 31.664 1.00 0.00 N ATOM 148 CA SER A 17 -1.106 -46.620 31.255 1.00 0.00 C ATOM 149 C SER A 17 -0.059 -46.111 30.278 1.00 0.00 C ATOM 150 O SER A 17 -0.385 -45.662 29.182 1.00 0.00 O ATOM 151 CB SER A 17 -1.127 -45.690 32.470 1.00 0.00 C ATOM 152 OG SER A 17 -2.192 -46.017 33.345 1.00 0.00 O ATOM 0 H SER A 17 -0.710 -48.113 32.672 1.00 0.00 H new ATOM 0 HA SER A 17 -2.086 -46.626 30.777 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.179 -45.762 33.003 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.229 -44.656 32.139 1.00 0.00 H new ATOM 0 HG SER A 17 -1.955 -46.812 33.866 1.00 0.00 H new ATOM 158 N ALA A 18 1.203 -46.193 30.691 1.00 0.00 N ATOM 159 CA ALA A 18 2.324 -45.748 29.870 1.00 0.00 C ATOM 160 C ALA A 18 2.517 -46.678 28.684 1.00 0.00 C ATOM 161 O ALA A 18 2.973 -46.259 27.622 1.00 0.00 O ATOM 162 CB ALA A 18 3.607 -45.736 30.687 1.00 0.00 C ATOM 0 H ALA A 18 1.476 -46.568 31.600 1.00 0.00 H new ATOM 0 HA ALA A 18 2.100 -44.741 29.517 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.434 -45.402 30.061 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.494 -45.057 31.532 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.814 -46.741 31.055 1.00 0.00 H new ATOM 168 N THR A 19 2.166 -47.945 28.883 1.00 0.00 N ATOM 169 CA THR A 19 2.290 -48.963 27.844 1.00 0.00 C ATOM 170 C THR A 19 1.207 -48.784 26.792 1.00 0.00 C ATOM 171 O THR A 19 1.491 -48.716 25.598 1.00 0.00 O ATOM 172 CB THR A 19 2.155 -50.383 28.426 1.00 0.00 C ATOM 173 OG1 THR A 19 3.206 -50.616 29.372 1.00 0.00 O ATOM 174 CG2 THR A 19 2.248 -51.422 27.320 1.00 0.00 C ATOM 0 H THR A 19 1.789 -48.294 29.764 1.00 0.00 H new ATOM 0 HA THR A 19 3.278 -48.844 27.400 1.00 0.00 H new ATOM 0 HB THR A 19 1.185 -50.466 28.916 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.925 -50.303 30.257 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.151 -52.419 27.749 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.448 -51.258 26.598 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.212 -51.335 26.819 1.00 0.00 H new ATOM 182 N GLU A 20 -0.038 -48.710 27.256 1.00 0.00 N ATOM 183 CA GLU A 20 -1.191 -48.539 26.375 1.00 0.00 C ATOM 184 C GLU A 20 -1.098 -47.221 25.627 1.00 0.00 C ATOM 185 O GLU A 20 -1.380 -47.150 24.434 1.00 0.00 O ATOM 186 CB GLU A 20 -2.489 -48.545 27.184 1.00 0.00 C ATOM 187 CG GLU A 20 -2.840 -49.896 27.786 1.00 0.00 C ATOM 188 CD GLU A 20 -4.102 -49.851 28.624 1.00 0.00 C ATOM 189 OE1 GLU A 20 -4.675 -48.752 28.776 1.00 0.00 O ATOM 190 OE2 GLU A 20 -4.519 -50.916 29.128 1.00 0.00 O ATOM 0 H GLU A 20 -0.276 -48.766 28.246 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.193 -49.367 25.666 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.407 -47.812 27.987 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.307 -48.223 26.540 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.966 -50.625 26.985 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.011 -50.241 28.403 1.00 0.00 H new ATOM 198 N MET A 21 -0.695 -46.177 26.349 1.00 0.00 N ATOM 199 CA MET A 21 -0.555 -44.842 25.777 1.00 0.00 C ATOM 200 C MET A 21 0.538 -44.825 24.721 1.00 0.00 C ATOM 201 O MET A 21 0.416 -44.157 23.697 1.00 0.00 O ATOM 202 CB MET A 21 -0.191 -43.829 26.864 1.00 0.00 C ATOM 203 CG MET A 21 -0.107 -42.393 26.372 1.00 0.00 C ATOM 204 SD MET A 21 -1.696 -41.759 25.802 1.00 0.00 S ATOM 205 CE MET A 21 -2.565 -41.575 27.357 1.00 0.00 C ATOM 0 H MET A 21 -0.458 -46.233 27.340 1.00 0.00 H new ATOM 0 HA MET A 21 -1.510 -44.574 25.325 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.932 -43.886 27.661 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.768 -44.109 27.300 1.00 0.00 H new ATOM 0 HG2 MET A 21 0.265 -41.759 27.177 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.616 -42.334 25.559 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.448 -40.953 27.209 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.869 -42.556 27.722 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.908 -41.104 28.088 1.00 0.00 H new ATOM 215 N ILE A 22 1.606 -45.572 24.988 1.00 0.00 N ATOM 216 CA ILE A 22 2.741 -45.664 24.075 1.00 0.00 C ATOM 217 C ILE A 22 2.288 -46.157 22.711 1.00 0.00 C ATOM 218 O ILE A 22 2.850 -45.779 21.685 1.00 0.00 O ATOM 219 CB ILE A 22 3.810 -46.640 24.600 1.00 0.00 C ATOM 220 CG1 ILE A 22 5.123 -46.454 23.837 1.00 0.00 C ATOM 221 CG2 ILE A 22 3.350 -48.079 24.424 1.00 0.00 C ATOM 222 CD1 ILE A 22 6.305 -47.149 24.477 1.00 0.00 C ATOM 0 H ILE A 22 1.709 -46.127 25.838 1.00 0.00 H new ATOM 0 HA ILE A 22 3.167 -44.664 23.998 1.00 0.00 H new ATOM 0 HB ILE A 22 3.963 -46.429 25.658 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.999 -46.830 22.821 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.339 -45.388 23.758 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.118 -48.755 24.800 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.425 -48.236 24.979 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.177 -48.279 23.367 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.199 -46.971 23.879 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.457 -46.757 25.482 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.112 -48.220 24.531 1.00 0.00 H new ATOM 234 N GLY A 23 1.264 -47.007 22.717 1.00 0.00 N ATOM 235 CA GLY A 23 0.712 -47.572 21.490 1.00 0.00 C ATOM 236 C GLY A 23 -0.050 -46.510 20.711 1.00 0.00 C ATOM 237 O GLY A 23 -0.079 -46.529 19.483 1.00 0.00 O ATOM 0 H GLY A 23 0.796 -47.322 23.567 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.516 -47.976 20.875 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.047 -48.402 21.731 1.00 0.00 H new ATOM 241 N TYR A 24 -0.663 -45.588 21.446 1.00 0.00 N ATOM 242 CA TYR A 24 -1.435 -44.501 20.850 1.00 0.00 C ATOM 243 C TYR A 24 -0.529 -43.579 20.054 1.00 0.00 C ATOM 244 O TYR A 24 -0.841 -43.208 18.924 1.00 0.00 O ATOM 245 CB TYR A 24 -2.128 -43.677 21.937 1.00 0.00 C ATOM 246 CG TYR A 24 -3.323 -44.365 22.559 1.00 0.00 C ATOM 247 CD1 TYR A 24 -4.564 -44.334 21.936 1.00 0.00 C ATOM 248 CD2 TYR A 24 -3.205 -45.042 23.766 1.00 0.00 C ATOM 249 CE1 TYR A 24 -5.662 -44.959 22.497 1.00 0.00 C ATOM 250 CE2 TYR A 24 -4.292 -45.673 24.341 1.00 0.00 C ATOM 251 CZ TYR A 24 -5.516 -45.632 23.709 1.00 0.00 C ATOM 252 OH TYR A 24 -6.599 -46.260 24.280 1.00 0.00 O ATOM 0 H TYR A 24 -0.640 -45.572 22.466 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.181 -44.946 20.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -1.406 -43.446 22.720 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -2.450 -42.727 21.510 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.673 -43.812 20.997 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.247 -45.076 24.264 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.621 -44.926 22.002 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.183 -46.195 25.280 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.326 -46.682 25.121 1.00 0.00 H new ATOM 262 N ALA A 25 0.598 -43.215 20.660 1.00 0.00 N ATOM 263 CA ALA A 25 1.575 -42.331 20.029 1.00 0.00 C ATOM 264 C ALA A 25 2.089 -42.943 18.737 1.00 0.00 C ATOM 265 O ALA A 25 2.126 -42.287 17.699 1.00 0.00 O ATOM 266 CB ALA A 25 2.758 -42.100 20.957 1.00 0.00 C ATOM 0 H ALA A 25 0.859 -43.522 21.597 1.00 0.00 H new ATOM 0 HA ALA A 25 1.080 -41.383 19.817 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.477 -41.439 20.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.410 -41.641 21.883 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.236 -43.054 21.182 1.00 0.00 H new ATOM 272 N TRP A 26 2.486 -44.211 18.820 1.00 0.00 N ATOM 273 CA TRP A 26 3.005 -44.942 17.668 1.00 0.00 C ATOM 274 C TRP A 26 1.943 -45.057 16.587 1.00 0.00 C ATOM 275 O TRP A 26 2.224 -44.875 15.404 1.00 0.00 O ATOM 276 CB TRP A 26 3.433 -46.353 18.077 1.00 0.00 C ATOM 277 CG TRP A 26 3.987 -47.163 16.946 1.00 0.00 C ATOM 278 CD1 TRP A 26 3.359 -48.175 16.277 1.00 0.00 C ATOM 279 CD2 TRP A 26 5.283 -47.031 16.349 1.00 0.00 C ATOM 280 NE1 TRP A 26 4.182 -48.681 15.301 1.00 0.00 N ATOM 281 CE2 TRP A 26 5.371 -47.995 15.325 1.00 0.00 C ATOM 282 CE3 TRP A 26 6.377 -46.192 16.579 1.00 0.00 C ATOM 283 CZ2 TRP A 26 6.509 -48.142 14.534 1.00 0.00 C ATOM 284 CZ3 TRP A 26 7.503 -46.342 15.793 1.00 0.00 C ATOM 285 CH2 TRP A 26 7.564 -47.308 14.782 1.00 0.00 C ATOM 0 H TRP A 26 2.457 -44.757 19.681 1.00 0.00 H new ATOM 0 HA TRP A 26 3.864 -44.391 17.285 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.184 -46.282 18.864 1.00 0.00 H new ATOM 0 HB3 TRP A 26 2.575 -46.875 18.501 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.359 -48.527 16.486 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.948 -49.442 14.663 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.343 -45.442 17.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 6.556 -48.887 13.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.355 -45.700 15.962 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.461 -47.396 14.187 1.00 0.00 H new ATOM 296 N ALA A 27 0.719 -45.360 17.012 1.00 0.00 N ATOM 297 CA ALA A 27 -0.410 -45.506 16.099 1.00 0.00 C ATOM 298 C ALA A 27 -0.756 -44.168 15.463 1.00 0.00 C ATOM 299 O ALA A 27 -0.959 -44.079 14.255 1.00 0.00 O ATOM 300 CB ALA A 27 -1.633 -46.016 16.846 1.00 0.00 C ATOM 0 H ALA A 27 0.483 -45.510 17.993 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.125 -46.219 15.326 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.467 -46.120 16.151 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.409 -46.985 17.291 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.901 -45.309 17.631 1.00 0.00 H new ATOM 306 N MET A 28 -0.822 -43.135 16.297 1.00 0.00 N ATOM 307 CA MET A 28 -1.141 -41.785 15.843 1.00 0.00 C ATOM 308 C MET A 28 -0.006 -41.222 15.003 1.00 0.00 C ATOM 309 O MET A 28 -0.225 -40.714 13.906 1.00 0.00 O ATOM 310 CB MET A 28 -1.363 -40.856 17.038 1.00 0.00 C ATOM 311 CG MET A 28 -1.761 -39.439 16.658 1.00 0.00 C ATOM 312 SD MET A 28 -2.044 -38.387 18.094 1.00 0.00 S ATOM 313 CE MET A 28 -0.372 -38.192 18.706 1.00 0.00 C ATOM 0 H MET A 28 -0.657 -43.209 17.301 1.00 0.00 H new ATOM 0 HA MET A 28 -2.050 -41.843 15.245 1.00 0.00 H new ATOM 0 HB2 MET A 28 -2.138 -41.281 17.676 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.449 -40.819 17.630 1.00 0.00 H new ATOM 0 HG2 MET A 28 -0.978 -39.000 16.040 1.00 0.00 H new ATOM 0 HG3 MET A 28 -2.666 -39.470 16.052 1.00 0.00 H new ATOM 0 HE1 MET A 28 -0.343 -37.379 19.431 1.00 0.00 H new ATOM 0 HE2 MET A 28 -0.049 -39.117 19.184 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.295 -37.961 17.875 1.00 0.00 H new ATOM 323 N VAL A 29 1.208 -41.321 15.538 1.00 0.00 N ATOM 324 CA VAL A 29 2.403 -40.830 14.858 1.00 0.00 C ATOM 325 C VAL A 29 2.633 -41.595 13.566 1.00 0.00 C ATOM 326 O VAL A 29 2.852 -41.003 12.512 1.00 0.00 O ATOM 327 CB VAL A 29 3.659 -40.994 15.735 1.00 0.00 C ATOM 328 CG1 VAL A 29 4.912 -40.671 14.935 1.00 0.00 C ATOM 329 CG2 VAL A 29 3.598 -40.058 16.932 1.00 0.00 C ATOM 0 H VAL A 29 1.391 -41.741 16.449 1.00 0.00 H new ATOM 0 HA VAL A 29 2.237 -39.773 14.652 1.00 0.00 H new ATOM 0 HB VAL A 29 3.694 -42.029 16.076 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.790 -40.792 15.570 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.984 -41.347 14.083 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.861 -39.642 14.578 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.493 -40.187 17.541 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.541 -39.026 16.585 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.716 -40.289 17.530 1.00 0.00 H new ATOM 339 N VAL A 30 2.581 -42.920 13.666 1.00 0.00 N ATOM 340 CA VAL A 30 2.782 -43.799 12.518 1.00 0.00 C ATOM 341 C VAL A 30 1.787 -43.471 11.416 1.00 0.00 C ATOM 342 O VAL A 30 2.138 -43.435 10.239 1.00 0.00 O ATOM 343 CB VAL A 30 2.594 -45.279 12.901 1.00 0.00 C ATOM 344 CG1 VAL A 30 2.601 -46.155 11.657 1.00 0.00 C ATOM 345 CG2 VAL A 30 3.717 -45.738 13.818 1.00 0.00 C ATOM 0 H VAL A 30 2.399 -43.413 14.540 1.00 0.00 H new ATOM 0 HA VAL A 30 3.803 -43.639 12.171 1.00 0.00 H new ATOM 0 HB VAL A 30 1.637 -45.371 13.414 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.467 -47.198 11.945 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.788 -45.854 10.996 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.553 -46.042 11.138 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.568 -46.786 14.079 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.673 -45.623 13.308 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.715 -45.134 14.726 1.00 0.00 H new ATOM 355 N VAL A 31 0.542 -43.233 11.820 1.00 0.00 N ATOM 356 CA VAL A 31 -0.532 -42.903 10.886 1.00 0.00 C ATOM 357 C VAL A 31 -0.371 -41.484 10.367 1.00 0.00 C ATOM 358 O VAL A 31 -0.457 -41.237 9.167 1.00 0.00 O ATOM 359 CB VAL A 31 -1.915 -43.007 11.556 1.00 0.00 C ATOM 360 CG1 VAL A 31 -2.998 -42.484 10.626 1.00 0.00 C ATOM 361 CG2 VAL A 31 -2.233 -44.454 11.899 1.00 0.00 C ATOM 0 H VAL A 31 0.250 -43.263 12.797 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.468 -43.619 10.067 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.889 -42.408 12.466 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.968 -42.565 11.116 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.799 -41.440 10.386 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.004 -43.072 9.708 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.214 -44.509 12.372 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.235 -45.052 10.988 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.478 -44.840 12.584 1.00 0.00 H new ATOM 371 N ILE A 32 -0.133 -40.559 11.292 1.00 0.00 N ATOM 372 CA ILE A 32 0.045 -39.149 10.957 1.00 0.00 C ATOM 373 C ILE A 32 1.256 -38.965 10.055 1.00 0.00 C ATOM 374 O ILE A 32 1.169 -38.339 9.001 1.00 0.00 O ATOM 375 CB ILE A 32 0.259 -38.292 12.218 1.00 0.00 C ATOM 376 CG1 ILE A 32 -1.015 -38.261 13.065 1.00 0.00 C ATOM 377 CG2 ILE A 32 0.620 -36.864 11.837 1.00 0.00 C ATOM 378 CD1 ILE A 32 -0.822 -37.650 14.436 1.00 0.00 C ATOM 0 H ILE A 32 -0.058 -40.763 12.289 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.864 -38.827 10.448 1.00 0.00 H new ATOM 0 HB ILE A 32 1.073 -38.738 12.790 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.781 -37.699 12.531 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.388 -39.279 13.180 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.768 -36.273 12.741 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.538 -36.865 11.250 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.187 -36.430 11.247 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.768 -37.663 14.977 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.080 -38.225 14.989 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.479 -36.621 14.331 1.00 0.00 H new ATOM 390 N VAL A 33 2.385 -39.522 10.487 1.00 0.00 N ATOM 391 CA VAL A 33 3.634 -39.438 9.737 1.00 0.00 C ATOM 392 C VAL A 33 3.597 -40.368 8.535 1.00 0.00 C ATOM 393 O VAL A 33 3.931 -39.973 7.421 1.00 0.00 O ATOM 394 CB VAL A 33 4.842 -39.835 10.606 1.00 0.00 C ATOM 395 CG1 VAL A 33 6.103 -39.919 9.759 1.00 0.00 C ATOM 396 CG2 VAL A 33 5.068 -38.808 11.705 1.00 0.00 C ATOM 0 H VAL A 33 2.459 -40.041 11.362 1.00 0.00 H new ATOM 0 HA VAL A 33 3.741 -38.402 9.416 1.00 0.00 H new ATOM 0 HB VAL A 33 4.628 -40.808 11.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.947 -40.201 10.389 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.968 -40.667 8.978 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.300 -38.949 9.302 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.925 -39.104 12.309 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.259 -37.833 11.258 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.182 -38.750 12.337 1.00 0.00 H new ATOM 406 N GLY A 34 3.187 -41.607 8.782 1.00 0.00 N ATOM 407 CA GLY A 34 3.096 -42.622 7.735 1.00 0.00 C ATOM 408 C GLY A 34 1.890 -42.364 6.847 1.00 0.00 C ATOM 409 O GLY A 34 2.010 -42.294 5.626 1.00 0.00 O ATOM 0 H GLY A 34 2.910 -41.936 9.707 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.005 -42.616 7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.018 -43.612 8.185 1.00 0.00 H new ATOM 413 N ALA A 35 0.729 -42.224 7.480 1.00 0.00 N ATOM 414 CA ALA A 35 -0.521 -41.970 6.770 1.00 0.00 C ATOM 415 C ALA A 35 -0.536 -40.559 6.203 1.00 0.00 C ATOM 416 O ALA A 35 -0.738 -40.362 5.007 1.00 0.00 O ATOM 417 CB ALA A 35 -1.706 -42.123 7.711 1.00 0.00 C ATOM 0 H ALA A 35 0.628 -42.283 8.493 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.596 -42.694 5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.630 -41.930 7.166 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.725 -43.137 8.111 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.613 -41.411 8.531 1.00 0.00 H new ATOM 423 N THR A 36 -0.320 -39.584 7.082 1.00 0.00 N ATOM 424 CA THR A 36 -0.303 -38.176 6.697 1.00 0.00 C ATOM 425 C THR A 36 0.840 -37.904 5.734 1.00 0.00 C ATOM 426 O THR A 36 0.631 -37.382 4.640 1.00 0.00 O ATOM 427 CB THR A 36 -0.121 -37.258 7.920 1.00 0.00 C ATOM 428 OG1 THR A 36 -1.212 -37.449 8.830 1.00 0.00 O ATOM 429 CG2 THR A 36 -0.087 -35.800 7.492 1.00 0.00 C ATOM 0 H THR A 36 -0.153 -39.746 8.075 1.00 0.00 H new ATOM 0 HA THR A 36 -1.262 -37.965 6.224 1.00 0.00 H new ATOM 0 HB THR A 36 0.822 -37.511 8.405 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.381 -36.616 9.318 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.042 -35.166 8.369 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.744 -35.642 6.805 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.023 -35.545 6.995 1.00 0.00 H new ATOM 437 N ILE A 37 2.048 -38.261 6.158 1.00 0.00 N ATOM 438 CA ILE A 37 3.248 -38.065 5.351 1.00 0.00 C ATOM 439 C ILE A 37 3.295 -39.071 4.212 1.00 0.00 C ATOM 440 O ILE A 37 3.725 -38.751 3.105 1.00 0.00 O ATOM 441 CB ILE A 37 4.527 -38.241 6.190 1.00 0.00 C ATOM 442 CG1 ILE A 37 4.642 -37.123 7.229 1.00 0.00 C ATOM 443 CG2 ILE A 37 5.759 -38.198 5.299 1.00 0.00 C ATOM 444 CD1 ILE A 37 5.731 -37.351 8.253 1.00 0.00 C ATOM 0 H ILE A 37 2.223 -38.692 7.066 1.00 0.00 H new ATOM 0 HA ILE A 37 3.204 -37.048 4.961 1.00 0.00 H new ATOM 0 HB ILE A 37 4.467 -39.208 6.690 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.831 -36.180 6.715 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.687 -37.019 7.745 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.654 -38.324 5.909 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.705 -39.001 4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.803 -37.238 4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.751 -36.517 8.955 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.533 -38.276 8.794 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.695 -37.424 7.749 1.00 0.00 H new ATOM 456 N GLY A 38 2.844 -40.288 4.502 1.00 0.00 N ATOM 457 CA GLY A 38 2.820 -41.366 3.517 1.00 0.00 C ATOM 458 C GLY A 38 1.811 -41.066 2.422 1.00 0.00 C ATOM 459 O GLY A 38 2.106 -41.197 1.236 1.00 0.00 O ATOM 0 H GLY A 38 2.487 -40.554 5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.811 -41.490 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.566 -42.307 4.005 1.00 0.00 H new ATOM 463 N ILE A 39 0.613 -40.662 2.839 1.00 0.00 N ATOM 464 CA ILE A 39 -0.465 -40.333 1.913 1.00 0.00 C ATOM 465 C ILE A 39 -0.043 -39.212 0.976 1.00 0.00 C ATOM 466 O ILE A 39 -0.307 -39.259 -0.223 1.00 0.00 O ATOM 467 CB ILE A 39 -1.730 -39.872 2.660 1.00 0.00 C ATOM 468 CG1 ILE A 39 -2.335 -41.033 3.452 1.00 0.00 C ATOM 469 CG2 ILE A 39 -2.774 -39.363 1.678 1.00 0.00 C ATOM 470 CD1 ILE A 39 -2.756 -42.204 2.592 1.00 0.00 C ATOM 0 H ILE A 39 0.364 -40.554 3.822 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.683 -41.240 1.349 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.442 -39.070 3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.608 -41.377 4.187 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.201 -40.671 4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.661 -39.042 2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.367 -38.521 1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.043 -40.162 0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.175 -42.987 3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.507 -41.876 1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.889 -42.594 2.058 1.00 0.00 H new ATOM 482 N LYS A 40 0.618 -38.208 1.545 1.00 0.00 N ATOM 483 CA LYS A 40 1.093 -37.057 0.782 1.00 0.00 C ATOM 484 C LYS A 40 1.992 -37.508 -0.357 1.00 0.00 C ATOM 485 O LYS A 40 1.861 -37.041 -1.486 1.00 0.00 O ATOM 486 CB LYS A 40 1.890 -36.110 1.681 1.00 0.00 C ATOM 487 CG LYS A 40 2.382 -34.855 0.979 1.00 0.00 C ATOM 488 CD LYS A 40 3.116 -33.935 1.942 1.00 0.00 C ATOM 489 CE LYS A 40 3.620 -32.687 1.237 1.00 0.00 C ATOM 490 NZ LYS A 40 4.331 -31.770 2.171 1.00 0.00 N ATOM 0 H LYS A 40 0.838 -38.168 2.540 1.00 0.00 H new ATOM 0 HA LYS A 40 0.220 -36.541 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.267 -35.820 2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.748 -36.647 2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.045 -35.131 0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.536 -34.326 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.450 -33.651 2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.956 -34.467 2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.292 -32.973 0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.780 -32.162 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.659 -30.931 1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.683 -31.476 2.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.148 -32.262 2.585 1.00 0.00 H new ATOM 504 N LEU A 41 2.906 -38.421 -0.042 1.00 0.00 N ATOM 505 CA LEU A 41 3.844 -38.956 -1.022 1.00 0.00 C ATOM 506 C LEU A 41 3.099 -39.521 -2.220 1.00 0.00 C ATOM 507 O LEU A 41 3.578 -39.454 -3.350 1.00 0.00 O ATOM 508 CB LEU A 41 4.684 -40.075 -0.404 1.00 0.00 C ATOM 509 CG LEU A 41 5.825 -40.621 -1.265 1.00 0.00 C ATOM 510 CD1 LEU A 41 6.857 -39.539 -1.541 1.00 0.00 C ATOM 511 CD2 LEU A 41 6.523 -41.776 -0.564 1.00 0.00 C ATOM 0 H LEU A 41 3.017 -38.809 0.895 1.00 0.00 H new ATOM 0 HA LEU A 41 4.492 -38.139 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.107 -39.709 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.020 -40.902 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 41 5.388 -40.965 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.659 -39.949 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.384 -38.711 -2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.269 -39.180 -0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.331 -42.149 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.933 -41.431 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.807 -42.577 -0.381 1.00 0.00 H new ATOM 523 N PHE A 42 1.921 -40.079 -1.954 1.00 0.00 N ATOM 524 CA PHE A 42 1.082 -40.666 -2.995 1.00 0.00 C ATOM 525 C PHE A 42 0.677 -39.610 -4.009 1.00 0.00 C ATOM 526 O PHE A 42 0.724 -39.845 -5.215 1.00 0.00 O ATOM 527 CB PHE A 42 -0.188 -41.264 -2.386 1.00 0.00 C ATOM 528 CG PHE A 42 -1.100 -41.903 -3.393 1.00 0.00 C ATOM 529 CD1 PHE A 42 -0.821 -43.158 -3.905 1.00 0.00 C ATOM 530 CD2 PHE A 42 -2.239 -41.248 -3.830 1.00 0.00 C ATOM 531 CE1 PHE A 42 -1.661 -43.745 -4.832 1.00 0.00 C ATOM 532 CE2 PHE A 42 -3.079 -41.836 -4.757 1.00 0.00 C ATOM 533 CZ PHE A 42 -2.794 -43.079 -5.258 1.00 0.00 C ATOM 0 H PHE A 42 1.523 -40.137 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 42 1.660 -41.449 -3.486 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.093 -42.008 -1.641 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.733 -40.479 -1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.063 -43.684 -3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.474 -40.268 -3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -1.432 -44.725 -5.224 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.964 -41.313 -5.088 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.452 -43.536 -5.982 1.00 0.00 H new ATOM 543 N LYS A 43 0.277 -38.448 -3.502 1.00 0.00 N ATOM 544 CA LYS A 43 -0.145 -37.333 -4.344 1.00 0.00 C ATOM 545 C LYS A 43 1.047 -36.733 -5.072 1.00 0.00 C ATOM 546 O LYS A 43 0.975 -36.431 -6.260 1.00 0.00 O ATOM 547 CB LYS A 43 -0.795 -36.237 -3.496 1.00 0.00 C ATOM 548 CG LYS A 43 -2.152 -36.616 -2.927 1.00 0.00 C ATOM 549 CD LYS A 43 -2.745 -35.479 -2.110 1.00 0.00 C ATOM 550 CE LYS A 43 -4.102 -35.858 -1.541 1.00 0.00 C ATOM 551 NZ LYS A 43 -4.689 -34.758 -0.726 1.00 0.00 N ATOM 0 H LYS A 43 0.236 -38.253 -2.502 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.864 -37.718 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.126 -35.984 -2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.906 -35.339 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.830 -36.875 -3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.052 -37.503 -2.301 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.067 -35.220 -1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.845 -34.592 -2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.781 -36.108 -2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.001 -36.752 -0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.614 -35.056 -0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.054 -34.537 0.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.810 -33.913 -1.319 1.00 0.00 H new ATOM 565 N LYS A 44 2.145 -36.568 -4.338 1.00 0.00 N ATOM 566 CA LYS A 44 3.374 -36.006 -4.888 1.00 0.00 C ATOM 567 C LYS A 44 4.072 -37.021 -5.779 1.00 0.00 C ATOM 568 O LYS A 44 4.519 -36.695 -6.877 1.00 0.00 O ATOM 569 CB LYS A 44 4.333 -35.610 -3.763 1.00 0.00 C ATOM 570 CG LYS A 44 3.882 -34.401 -2.960 1.00 0.00 C ATOM 571 CD LYS A 44 3.866 -33.145 -3.816 1.00 0.00 C ATOM 572 CE LYS A 44 3.460 -31.927 -3.002 1.00 0.00 C ATOM 573 NZ LYS A 44 3.402 -30.695 -3.836 1.00 0.00 N ATOM 0 H LYS A 44 2.207 -36.819 -3.351 1.00 0.00 H new ATOM 0 HA LYS A 44 3.104 -35.126 -5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.453 -36.457 -3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.313 -35.403 -4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.886 -34.581 -2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.549 -34.256 -2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.854 -32.984 -4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.173 -33.277 -4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.485 -32.103 -2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.170 -31.781 -2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.122 -29.888 -3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.338 -30.512 -4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.706 -30.824 -4.598 1.00 0.00 H new ATOM 587 N PHE A 45 4.157 -38.252 -5.287 1.00 0.00 N ATOM 588 CA PHE A 45 4.798 -39.342 -6.019 1.00 0.00 C ATOM 589 C PHE A 45 3.901 -39.823 -7.149 1.00 0.00 C ATOM 590 O PHE A 45 4.365 -40.075 -8.259 1.00 0.00 O ATOM 591 CB PHE A 45 5.077 -40.522 -5.086 1.00 0.00 C ATOM 592 CG PHE A 45 5.774 -41.672 -5.756 1.00 0.00 C ATOM 593 CD1 PHE A 45 7.133 -41.623 -6.010 1.00 0.00 C ATOM 594 CD2 PHE A 45 5.070 -42.803 -6.132 1.00 0.00 C ATOM 595 CE1 PHE A 45 7.775 -42.681 -6.626 1.00 0.00 C ATOM 596 CE2 PHE A 45 5.711 -43.861 -6.748 1.00 0.00 C ATOM 597 CZ PHE A 45 7.058 -43.803 -6.995 1.00 0.00 C ATOM 0 H PHE A 45 3.787 -38.523 -4.376 1.00 0.00 H new ATOM 0 HA PHE A 45 5.735 -38.964 -6.426 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.686 -40.177 -4.251 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.134 -40.874 -4.668 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.699 -40.749 -5.724 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.008 -42.859 -5.942 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.836 -42.631 -6.819 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.148 -44.737 -7.036 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.557 -44.631 -7.476 1.00 0.00 H new ATOM 607 N THR A 46 2.612 -39.947 -6.848 1.00 0.00 N ATOM 608 CA THR A 46 1.622 -40.397 -7.822 1.00 0.00 C ATOM 609 C THR A 46 1.313 -39.291 -8.816 1.00 0.00 C ATOM 610 O THR A 46 1.230 -39.528 -10.019 1.00 0.00 O ATOM 611 CB THR A 46 0.302 -40.802 -7.139 1.00 0.00 C ATOM 612 OG1 THR A 46 0.541 -41.895 -6.243 1.00 0.00 O ATOM 613 CG2 THR A 46 -0.724 -41.232 -8.177 1.00 0.00 C ATOM 0 H THR A 46 2.225 -39.740 -5.927 1.00 0.00 H new ATOM 0 HA THR A 46 2.049 -41.261 -8.331 1.00 0.00 H new ATOM 0 HB THR A 46 -0.082 -39.943 -6.589 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.199 -41.669 -5.353 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.651 -41.515 -7.677 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.918 -40.406 -8.861 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.339 -42.084 -8.738 1.00 0.00 H new ATOM 621 N SER A 47 1.144 -38.079 -8.295 1.00 0.00 N ATOM 622 CA SER A 47 0.841 -36.911 -9.116 1.00 0.00 C ATOM 623 C SER A 47 2.082 -36.449 -9.862 1.00 0.00 C ATOM 624 O SER A 47 2.020 -36.110 -11.041 1.00 0.00 O ATOM 625 CB SER A 47 0.344 -35.757 -8.243 1.00 0.00 C ATOM 626 OG SER A 47 0.056 -34.612 -9.027 1.00 0.00 O ATOM 0 H SER A 47 1.213 -37.879 -7.297 1.00 0.00 H new ATOM 0 HA SER A 47 0.066 -37.197 -9.828 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.550 -36.065 -7.702 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.099 -35.510 -7.497 1.00 0.00 H new ATOM 0 HG SER A 47 -0.261 -33.889 -8.446 1.00 0.00 H new ATOM 632 N LYS A 48 3.207 -36.441 -9.154 1.00 0.00 N ATOM 633 CA LYS A 48 4.486 -36.023 -9.724 1.00 0.00 C ATOM 634 C LYS A 48 5.035 -37.102 -10.644 1.00 0.00 C ATOM 635 O LYS A 48 5.573 -36.807 -11.710 1.00 0.00 O ATOM 636 CB LYS A 48 5.508 -35.766 -8.615 1.00 0.00 C ATOM 637 CG LYS A 48 5.219 -34.529 -7.780 1.00 0.00 C ATOM 638 CD LYS A 48 5.332 -33.262 -8.611 1.00 0.00 C ATOM 639 CE LYS A 48 5.089 -32.023 -7.765 1.00 0.00 C ATOM 640 NZ LYS A 48 5.158 -30.775 -8.575 1.00 0.00 N ATOM 0 H LYS A 48 3.260 -36.722 -8.175 1.00 0.00 H new ATOM 0 HA LYS A 48 4.316 -35.106 -10.289 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.542 -36.635 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.497 -35.666 -9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.217 -34.600 -7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.917 -34.481 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.323 -33.208 -9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.611 -33.295 -9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.110 -32.094 -7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.829 -31.978 -6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.987 -29.953 -7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.100 -30.694 -9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.435 -30.806 -9.322 1.00 0.00 H new ATOM 654 N ALA A 49 4.891 -38.352 -10.215 1.00 0.00 N ATOM 655 CA ALA A 49 5.366 -39.500 -10.983 1.00 0.00 C ATOM 0 H ALA A 49 4.445 -38.598 -9.331 1.00 0.00 H new TER 658 ALA A 49