USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 345 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 16 GLN : amide:sc= -2.13 K(o=-3.4,f=-1.1) USER MOD Set 1.2: A 19 MET CE :methyl -175:sc= -1.23 (180deg=-0.333) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.18 (180deg=-0.667) USER MOD Single : A 5 THR OG1 : rot -8:sc= 0.326 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 62:sc= 0.955 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 73:sc= 0.302 USER MOD Single : A 42 MET CE :methyl 166:sc=-0.00801 (180deg=-0.249) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 30.877 -24.423 53.872 1.00 0.00 N ATOM 2 CA GLY A 1 31.999 -25.340 53.915 1.00 0.00 C ATOM 3 C GLY A 1 31.888 -26.351 52.785 1.00 0.00 C ATOM 4 O GLY A 1 30.944 -26.316 51.998 1.00 0.00 O ATOM 0 H1 GLY A 1 31.224 -23.446 53.953 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.370 -24.537 52.971 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.231 -24.627 54.661 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.934 -24.787 53.829 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.021 -25.856 54.875 1.00 0.00 H new ATOM 8 N VAL A 2 32.867 -27.250 52.720 1.00 0.00 N ATOM 9 CA VAL A 2 32.906 -28.287 51.694 1.00 0.00 C ATOM 10 C VAL A 2 31.803 -29.307 51.925 1.00 0.00 C ATOM 11 O VAL A 2 31.116 -29.724 50.993 1.00 0.00 O ATOM 12 CB VAL A 2 34.252 -29.036 51.699 1.00 0.00 C ATOM 13 CG1 VAL A 2 34.202 -30.227 50.755 1.00 0.00 C ATOM 14 CG2 VAL A 2 35.376 -28.115 51.252 1.00 0.00 C ATOM 0 H VAL A 2 33.650 -27.280 53.373 1.00 0.00 H new ATOM 0 HA VAL A 2 32.770 -27.788 50.735 1.00 0.00 H new ATOM 0 HB VAL A 2 34.438 -29.378 52.717 1.00 0.00 H new ATOM 0 HG11 VAL A 2 35.161 -30.745 50.771 1.00 0.00 H new ATOM 0 HG12 VAL A 2 33.415 -30.911 51.073 1.00 0.00 H new ATOM 0 HG13 VAL A 2 33.994 -29.880 49.743 1.00 0.00 H new ATOM 0 HG21 VAL A 2 36.319 -28.661 51.262 1.00 0.00 H new ATOM 0 HG22 VAL A 2 35.174 -27.758 50.242 1.00 0.00 H new ATOM 0 HG23 VAL A 2 35.442 -27.265 51.931 1.00 0.00 H new ATOM 24 N ILE A 3 31.642 -29.705 53.184 1.00 0.00 N ATOM 25 CA ILE A 3 30.626 -30.678 53.571 1.00 0.00 C ATOM 26 C ILE A 3 29.233 -30.106 53.363 1.00 0.00 C ATOM 27 O ILE A 3 28.320 -30.800 52.919 1.00 0.00 O ATOM 28 CB ILE A 3 30.758 -31.073 55.054 1.00 0.00 C ATOM 29 CG1 ILE A 3 32.059 -31.844 55.286 1.00 0.00 C ATOM 30 CG2 ILE A 3 29.593 -31.955 55.476 1.00 0.00 C ATOM 31 CD1 ILE A 3 32.391 -32.056 56.747 1.00 0.00 C ATOM 0 H ILE A 3 32.209 -29.364 53.960 1.00 0.00 H new ATOM 0 HA ILE A 3 30.776 -31.557 52.944 1.00 0.00 H new ATOM 0 HB ILE A 3 30.759 -30.157 55.645 1.00 0.00 H new ATOM 0 HG12 ILE A 3 31.988 -32.814 54.795 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.879 -31.306 54.811 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.703 -32.225 56.526 1.00 0.00 H new ATOM 0 HG22 ILE A 3 28.657 -31.414 55.336 1.00 0.00 H new ATOM 0 HG23 ILE A 3 29.583 -32.860 54.868 1.00 0.00 H new ATOM 0 HD11 ILE A 3 33.326 -32.609 56.831 1.00 0.00 H new ATOM 0 HD12 ILE A 3 32.496 -31.090 57.240 1.00 0.00 H new ATOM 0 HD13 ILE A 3 31.591 -32.622 57.224 1.00 0.00 H new ATOM 43 N ASP A 4 29.083 -28.826 53.691 1.00 0.00 N ATOM 44 CA ASP A 4 27.808 -28.130 53.551 1.00 0.00 C ATOM 45 C ASP A 4 27.255 -28.309 52.146 1.00 0.00 C ATOM 46 O ASP A 4 26.057 -28.507 51.955 1.00 0.00 O ATOM 47 CB ASP A 4 27.983 -26.633 53.815 1.00 0.00 C ATOM 48 CG ASP A 4 28.236 -26.325 55.277 1.00 0.00 C ATOM 49 OD1 ASP A 4 28.247 -25.129 55.639 1.00 0.00 O ATOM 50 OD2 ASP A 4 28.422 -27.279 56.062 1.00 0.00 O ATOM 0 H ASP A 4 29.836 -28.245 54.059 1.00 0.00 H new ATOM 0 HA ASP A 4 27.116 -28.555 54.278 1.00 0.00 H new ATOM 0 HB2 ASP A 4 28.815 -26.258 53.219 1.00 0.00 H new ATOM 0 HB3 ASP A 4 27.090 -26.103 53.485 1.00 0.00 H new ATOM 56 N THR A 5 28.149 -28.235 51.163 1.00 0.00 N ATOM 57 CA THR A 5 27.778 -28.386 49.759 1.00 0.00 C ATOM 58 C THR A 5 27.975 -29.824 49.308 1.00 0.00 C ATOM 59 O THR A 5 27.701 -30.175 48.162 1.00 0.00 O ATOM 60 CB THR A 5 28.632 -27.483 48.849 1.00 0.00 C ATOM 61 OG1 THR A 5 30.012 -27.853 48.964 1.00 0.00 O ATOM 62 CG2 THR A 5 28.478 -26.024 49.250 1.00 0.00 C ATOM 0 H THR A 5 29.144 -28.070 51.316 1.00 0.00 H new ATOM 0 HA THR A 5 26.730 -28.099 49.676 1.00 0.00 H new ATOM 0 HB THR A 5 28.294 -27.609 47.820 1.00 0.00 H new ATOM 0 HG1 THR A 5 30.117 -28.504 49.689 1.00 0.00 H new ATOM 0 HG21 THR A 5 29.088 -25.401 48.596 1.00 0.00 H new ATOM 0 HG22 THR A 5 27.432 -25.730 49.159 1.00 0.00 H new ATOM 0 HG23 THR A 5 28.803 -25.894 50.282 1.00 0.00 H new ATOM 70 N SER A 6 28.457 -30.654 50.229 1.00 0.00 N ATOM 71 CA SER A 6 28.703 -32.066 49.953 1.00 0.00 C ATOM 72 C SER A 6 27.494 -32.697 49.281 1.00 0.00 C ATOM 73 O SER A 6 27.579 -33.205 48.164 1.00 0.00 O ATOM 74 CB SER A 6 28.984 -32.825 51.252 1.00 0.00 C ATOM 75 OG SER A 6 29.216 -34.200 50.999 1.00 0.00 O ATOM 0 H SER A 6 28.687 -30.369 51.181 1.00 0.00 H new ATOM 0 HA SER A 6 29.568 -32.129 49.293 1.00 0.00 H new ATOM 0 HB2 SER A 6 29.852 -32.392 51.749 1.00 0.00 H new ATOM 0 HB3 SER A 6 28.139 -32.715 51.932 1.00 0.00 H new ATOM 0 HG SER A 6 29.395 -34.663 51.844 1.00 0.00 H new ATOM 81 N ALA A 7 26.363 -32.657 49.980 1.00 0.00 N ATOM 82 CA ALA A 7 25.114 -33.219 49.474 1.00 0.00 C ATOM 83 C ALA A 7 24.709 -32.536 48.177 1.00 0.00 C ATOM 84 O ALA A 7 24.260 -33.182 47.231 1.00 0.00 O ATOM 85 CB ALA A 7 23.997 -33.027 50.488 1.00 0.00 C ATOM 0 H ALA A 7 26.286 -32.237 50.906 1.00 0.00 H new ATOM 0 HA ALA A 7 25.275 -34.282 49.296 1.00 0.00 H new ATOM 0 HB1 ALA A 7 23.073 -33.451 50.096 1.00 0.00 H new ATOM 0 HB2 ALA A 7 24.260 -33.529 51.419 1.00 0.00 H new ATOM 0 HB3 ALA A 7 23.856 -31.963 50.677 1.00 0.00 H new ATOM 91 N VAL A 8 24.876 -31.217 48.146 1.00 0.00 N ATOM 92 CA VAL A 8 24.536 -30.415 46.974 1.00 0.00 C ATOM 93 C VAL A 8 25.398 -30.815 45.788 1.00 0.00 C ATOM 94 O VAL A 8 24.918 -30.920 44.660 1.00 0.00 O ATOM 95 CB VAL A 8 24.756 -28.913 47.235 1.00 0.00 C ATOM 96 CG1 VAL A 8 24.598 -28.120 45.946 1.00 0.00 C ATOM 97 CG2 VAL A 8 23.745 -28.394 48.245 1.00 0.00 C ATOM 0 H VAL A 8 25.248 -30.676 48.927 1.00 0.00 H new ATOM 0 HA VAL A 8 23.483 -30.597 46.760 1.00 0.00 H new ATOM 0 HB VAL A 8 25.766 -28.788 47.625 1.00 0.00 H new ATOM 0 HG11 VAL A 8 24.757 -27.061 46.149 1.00 0.00 H new ATOM 0 HG12 VAL A 8 25.330 -28.463 45.215 1.00 0.00 H new ATOM 0 HG13 VAL A 8 23.593 -28.267 45.549 1.00 0.00 H new ATOM 0 HG21 VAL A 8 23.915 -27.331 48.417 1.00 0.00 H new ATOM 0 HG22 VAL A 8 22.736 -28.542 47.859 1.00 0.00 H new ATOM 0 HG23 VAL A 8 23.857 -28.936 49.184 1.00 0.00 H new ATOM 107 N GLU A 9 26.681 -31.038 46.058 1.00 0.00 N ATOM 108 CA GLU A 9 27.639 -31.430 45.028 1.00 0.00 C ATOM 109 C GLU A 9 27.181 -32.701 44.331 1.00 0.00 C ATOM 110 O GLU A 9 27.322 -32.847 43.118 1.00 0.00 O ATOM 111 CB GLU A 9 29.015 -31.686 45.646 1.00 0.00 C ATOM 112 CG GLU A 9 30.095 -32.033 44.634 1.00 0.00 C ATOM 113 CD GLU A 9 31.454 -32.230 45.276 1.00 0.00 C ATOM 114 OE1 GLU A 9 31.550 -32.097 46.514 1.00 0.00 O ATOM 115 OE2 GLU A 9 32.422 -32.518 44.542 1.00 0.00 O ATOM 0 H GLU A 9 27.084 -30.953 46.991 1.00 0.00 H new ATOM 0 HA GLU A 9 27.703 -30.615 44.307 1.00 0.00 H new ATOM 0 HB2 GLU A 9 29.323 -30.800 46.200 1.00 0.00 H new ATOM 0 HB3 GLU A 9 28.932 -32.500 46.366 1.00 0.00 H new ATOM 0 HG2 GLU A 9 29.812 -32.943 44.104 1.00 0.00 H new ATOM 0 HG3 GLU A 9 30.160 -31.238 43.891 1.00 0.00 H new ATOM 123 N SER A 10 26.629 -33.620 45.117 1.00 0.00 N ATOM 124 CA SER A 10 26.138 -34.895 44.601 1.00 0.00 C ATOM 125 C SER A 10 24.752 -34.728 44.000 1.00 0.00 C ATOM 126 O SER A 10 24.481 -35.185 42.891 1.00 0.00 O ATOM 127 CB SER A 10 26.057 -35.932 45.723 1.00 0.00 C ATOM 128 OG SER A 10 27.341 -36.216 46.250 1.00 0.00 O ATOM 0 H SER A 10 26.509 -33.504 46.123 1.00 0.00 H new ATOM 0 HA SER A 10 26.835 -35.233 43.834 1.00 0.00 H new ATOM 0 HB2 SER A 10 25.408 -35.563 46.517 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.606 -36.849 45.343 1.00 0.00 H new ATOM 0 HG SER A 10 27.261 -36.880 46.966 1.00 0.00 H new ATOM 134 N ALA A 11 23.877 -34.065 44.751 1.00 0.00 N ATOM 135 CA ALA A 11 22.505 -33.820 44.316 1.00 0.00 C ATOM 136 C ALA A 11 22.484 -32.883 43.120 1.00 0.00 C ATOM 137 O ALA A 11 21.696 -33.055 42.191 1.00 0.00 O ATOM 138 CB ALA A 11 21.698 -33.186 45.439 1.00 0.00 C ATOM 0 H ALA A 11 24.097 -33.685 45.672 1.00 0.00 H new ATOM 0 HA ALA A 11 22.067 -34.779 44.040 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.678 -33.010 45.099 1.00 0.00 H new ATOM 0 HB2 ALA A 11 21.683 -33.855 46.299 1.00 0.00 H new ATOM 0 HB3 ALA A 11 22.154 -32.238 45.725 1.00 0.00 H new ATOM 144 N ILE A 12 23.362 -31.885 43.156 1.00 0.00 N ATOM 145 CA ILE A 12 23.469 -30.900 42.085 1.00 0.00 C ATOM 146 C ILE A 12 23.984 -31.551 40.812 1.00 0.00 C ATOM 147 O ILE A 12 23.454 -31.329 39.724 1.00 0.00 O ATOM 148 CB ILE A 12 24.437 -29.762 42.459 1.00 0.00 C ATOM 149 CG1 ILE A 12 23.867 -28.936 43.615 1.00 0.00 C ATOM 150 CG2 ILE A 12 24.659 -28.839 41.271 1.00 0.00 C ATOM 151 CD1 ILE A 12 22.543 -28.277 43.299 1.00 0.00 C ATOM 0 H ILE A 12 24.016 -31.737 43.924 1.00 0.00 H new ATOM 0 HA ILE A 12 22.470 -30.493 41.929 1.00 0.00 H new ATOM 0 HB ILE A 12 25.383 -30.213 42.757 1.00 0.00 H new ATOM 0 HG12 ILE A 12 23.743 -29.582 44.484 1.00 0.00 H new ATOM 0 HG13 ILE A 12 24.589 -28.167 43.890 1.00 0.00 H new ATOM 0 HG21 ILE A 12 25.346 -28.041 41.554 1.00 0.00 H new ATOM 0 HG22 ILE A 12 25.084 -29.407 40.443 1.00 0.00 H new ATOM 0 HG23 ILE A 12 23.707 -28.407 40.963 1.00 0.00 H new ATOM 0 HD11 ILE A 12 22.203 -27.710 44.166 1.00 0.00 H new ATOM 0 HD12 ILE A 12 22.665 -27.604 42.450 1.00 0.00 H new ATOM 0 HD13 ILE A 12 21.806 -29.041 43.053 1.00 0.00 H new ATOM 163 N THR A 13 25.028 -32.362 40.963 1.00 0.00 N ATOM 164 CA THR A 13 25.640 -33.064 39.838 1.00 0.00 C ATOM 165 C THR A 13 24.660 -34.055 39.232 1.00 0.00 C ATOM 166 O THR A 13 24.551 -34.178 38.013 1.00 0.00 O ATOM 167 CB THR A 13 26.894 -33.845 40.274 1.00 0.00 C ATOM 168 OG1 THR A 13 27.876 -32.933 40.781 1.00 0.00 O ATOM 169 CG2 THR A 13 27.487 -34.602 39.096 1.00 0.00 C ATOM 0 H THR A 13 25.471 -32.550 41.862 1.00 0.00 H new ATOM 0 HA THR A 13 25.919 -32.306 39.106 1.00 0.00 H new ATOM 0 HB THR A 13 26.607 -34.556 41.049 1.00 0.00 H new ATOM 0 HG1 THR A 13 27.519 -32.473 41.569 1.00 0.00 H new ATOM 0 HG21 THR A 13 28.372 -35.148 39.423 1.00 0.00 H new ATOM 0 HG22 THR A 13 26.750 -35.305 38.707 1.00 0.00 H new ATOM 0 HG23 THR A 13 27.764 -33.897 38.313 1.00 0.00 H new ATOM 177 N ASP A 14 23.946 -34.764 40.103 1.00 0.00 N ATOM 178 CA ASP A 14 22.963 -35.757 39.681 1.00 0.00 C ATOM 179 C ASP A 14 21.774 -35.081 39.020 1.00 0.00 C ATOM 180 O ASP A 14 21.353 -35.459 37.928 1.00 0.00 O ATOM 181 CB ASP A 14 22.458 -36.556 40.884 1.00 0.00 C ATOM 182 CG ASP A 14 23.504 -37.505 41.435 1.00 0.00 C ATOM 183 OD1 ASP A 14 23.166 -38.308 42.329 1.00 0.00 O ATOM 184 OD2 ASP A 14 24.663 -37.445 40.971 1.00 0.00 O ATOM 0 H ASP A 14 24.032 -34.667 41.115 1.00 0.00 H new ATOM 0 HA ASP A 14 23.450 -36.426 38.971 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.149 -35.866 41.669 1.00 0.00 H new ATOM 0 HB3 ASP A 14 21.575 -37.124 40.593 1.00 0.00 H new ATOM 190 N GLY A 15 21.236 -34.071 39.698 1.00 0.00 N ATOM 191 CA GLY A 15 20.089 -33.318 39.198 1.00 0.00 C ATOM 192 C GLY A 15 20.541 -32.243 38.223 1.00 0.00 C ATOM 193 O GLY A 15 20.261 -32.311 37.027 1.00 0.00 O ATOM 0 H GLY A 15 21.580 -33.753 40.604 1.00 0.00 H new ATOM 0 HA2 GLY A 15 19.390 -33.994 38.705 1.00 0.00 H new ATOM 0 HA3 GLY A 15 19.556 -32.860 40.031 1.00 0.00 H new ATOM 197 N GLN A 16 21.245 -31.247 38.752 1.00 0.00 N ATOM 198 CA GLN A 16 21.752 -30.138 37.950 1.00 0.00 C ATOM 199 C GLN A 16 22.462 -30.658 36.710 1.00 0.00 C ATOM 200 O GLN A 16 22.140 -30.278 35.586 1.00 0.00 O ATOM 201 CB GLN A 16 22.744 -29.301 38.760 1.00 0.00 C ATOM 202 CG GLN A 16 23.292 -28.095 38.014 1.00 0.00 C ATOM 203 CD GLN A 16 22.219 -27.076 37.686 1.00 0.00 C ATOM 204 OE1 GLN A 16 21.505 -26.605 38.572 1.00 0.00 O ATOM 205 NE2 GLN A 16 22.101 -26.732 36.409 1.00 0.00 N ATOM 0 H GLN A 16 21.479 -31.185 39.743 1.00 0.00 H new ATOM 0 HA GLN A 16 20.901 -29.523 37.658 1.00 0.00 H new ATOM 0 HB2 GLN A 16 22.255 -28.959 39.672 1.00 0.00 H new ATOM 0 HB3 GLN A 16 23.576 -29.936 39.063 1.00 0.00 H new ATOM 0 HG2 GLN A 16 24.066 -27.621 38.617 1.00 0.00 H new ATOM 0 HG3 GLN A 16 23.766 -28.428 37.091 1.00 0.00 H new ATOM 0 HE21 GLN A 16 22.715 -27.149 35.710 1.00 0.00 H new ATOM 0 HE22 GLN A 16 21.396 -26.051 36.127 1.00 0.00 H new ATOM 214 N GLY A 17 23.435 -31.537 36.932 1.00 0.00 N ATOM 215 CA GLY A 17 24.212 -32.130 35.847 1.00 0.00 C ATOM 216 C GLY A 17 23.289 -32.707 34.785 1.00 0.00 C ATOM 217 O GLY A 17 23.473 -32.478 33.591 1.00 0.00 O ATOM 0 H GLY A 17 23.706 -31.857 37.862 1.00 0.00 H new ATOM 0 HA2 GLY A 17 24.861 -31.376 35.402 1.00 0.00 H new ATOM 0 HA3 GLY A 17 24.858 -32.914 36.241 1.00 0.00 H new ATOM 221 N ASP A 18 22.291 -33.460 35.238 1.00 0.00 N ATOM 222 CA ASP A 18 21.319 -34.086 34.346 1.00 0.00 C ATOM 223 C ASP A 18 20.653 -33.039 33.467 1.00 0.00 C ATOM 224 O ASP A 18 20.003 -33.362 32.474 1.00 0.00 O ATOM 225 CB ASP A 18 20.234 -34.802 35.153 1.00 0.00 C ATOM 226 CG ASP A 18 20.750 -36.047 35.847 1.00 0.00 C ATOM 227 OD1 ASP A 18 20.005 -37.048 35.902 1.00 0.00 O ATOM 228 OD2 ASP A 18 21.899 -36.021 36.336 1.00 0.00 O ATOM 0 H ASP A 18 22.133 -33.653 36.227 1.00 0.00 H new ATOM 0 HA ASP A 18 21.853 -34.806 33.725 1.00 0.00 H new ATOM 0 HB2 ASP A 18 19.829 -34.117 35.898 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.413 -35.074 34.490 1.00 0.00 H new ATOM 234 N MET A 19 20.824 -31.776 33.846 1.00 0.00 N ATOM 235 CA MET A 19 20.250 -30.655 33.109 1.00 0.00 C ATOM 236 C MET A 19 20.858 -30.564 31.719 1.00 0.00 C ATOM 237 O MET A 19 20.159 -30.335 30.733 1.00 0.00 O ATOM 238 CB MET A 19 20.519 -29.339 33.841 1.00 0.00 C ATOM 239 CG MET A 19 19.883 -28.123 33.186 1.00 0.00 C ATOM 240 SD MET A 19 20.211 -26.596 34.087 1.00 0.00 S ATOM 241 CE MET A 19 19.234 -26.858 35.565 1.00 0.00 C ATOM 0 H MET A 19 21.361 -31.502 34.668 1.00 0.00 H new ATOM 0 HA MET A 19 19.176 -30.823 33.032 1.00 0.00 H new ATOM 0 HB2 MET A 19 20.150 -29.422 34.863 1.00 0.00 H new ATOM 0 HB3 MET A 19 21.596 -29.183 33.903 1.00 0.00 H new ATOM 0 HG2 MET A 19 20.258 -28.027 32.167 1.00 0.00 H new ATOM 0 HG3 MET A 19 18.806 -28.275 33.116 1.00 0.00 H new ATOM 0 HE1 MET A 19 19.262 -25.961 36.184 1.00 0.00 H new ATOM 0 HE2 MET A 19 18.203 -27.074 35.286 1.00 0.00 H new ATOM 0 HE3 MET A 19 19.642 -27.699 36.126 1.00 0.00 H new ATOM 251 N LYS A 20 22.173 -30.747 31.654 1.00 0.00 N ATOM 252 CA LYS A 20 22.907 -30.691 30.393 1.00 0.00 C ATOM 253 C LYS A 20 22.354 -31.711 29.410 1.00 0.00 C ATOM 254 O LYS A 20 22.198 -31.430 28.223 1.00 0.00 O ATOM 255 CB LYS A 20 24.389 -30.994 30.622 1.00 0.00 C ATOM 256 CG LYS A 20 25.243 -30.896 29.368 1.00 0.00 C ATOM 257 CD LYS A 20 26.709 -31.153 29.678 1.00 0.00 C ATOM 258 CE LYS A 20 27.561 -31.070 28.422 1.00 0.00 C ATOM 259 NZ LYS A 20 29.002 -31.307 28.712 1.00 0.00 N ATOM 0 H LYS A 20 22.757 -30.937 32.468 1.00 0.00 H new ATOM 0 HA LYS A 20 22.794 -29.686 29.987 1.00 0.00 H new ATOM 0 HB2 LYS A 20 24.779 -30.303 31.369 1.00 0.00 H new ATOM 0 HB3 LYS A 20 24.484 -31.998 31.036 1.00 0.00 H new ATOM 0 HG2 LYS A 20 24.893 -31.617 28.630 1.00 0.00 H new ATOM 0 HG3 LYS A 20 25.131 -29.906 28.925 1.00 0.00 H new ATOM 0 HD2 LYS A 20 27.062 -30.425 30.408 1.00 0.00 H new ATOM 0 HD3 LYS A 20 26.820 -32.138 30.131 1.00 0.00 H new ATOM 0 HE2 LYS A 20 27.211 -31.805 27.697 1.00 0.00 H new ATOM 0 HE3 LYS A 20 27.439 -30.088 27.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 29.549 -31.242 27.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 29.343 -30.591 29.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 29.122 -32.254 29.124 1.00 0.00 H new ATOM 273 N ALA A 21 22.059 -32.902 29.923 1.00 0.00 N ATOM 274 CA ALA A 21 21.520 -33.989 29.111 1.00 0.00 C ATOM 275 C ALA A 21 20.109 -33.662 28.653 1.00 0.00 C ATOM 276 O ALA A 21 19.738 -33.910 27.507 1.00 0.00 O ATOM 277 CB ALA A 21 21.479 -35.280 29.914 1.00 0.00 C ATOM 0 H ALA A 21 22.186 -33.140 30.907 1.00 0.00 H new ATOM 0 HA ALA A 21 22.170 -34.112 28.244 1.00 0.00 H new ATOM 0 HB1 ALA A 21 21.075 -36.081 29.295 1.00 0.00 H new ATOM 0 HB2 ALA A 21 22.488 -35.542 30.233 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.845 -35.144 30.790 1.00 0.00 H new ATOM 283 N ILE A 22 19.323 -33.099 29.568 1.00 0.00 N ATOM 284 CA ILE A 22 17.941 -32.725 29.285 1.00 0.00 C ATOM 285 C ILE A 22 17.890 -31.638 28.223 1.00 0.00 C ATOM 286 O ILE A 22 17.149 -31.737 27.247 1.00 0.00 O ATOM 287 CB ILE A 22 17.232 -32.191 30.543 1.00 0.00 C ATOM 288 CG1 ILE A 22 17.056 -33.310 31.572 1.00 0.00 C ATOM 289 CG2 ILE A 22 15.858 -31.642 30.188 1.00 0.00 C ATOM 290 CD1 ILE A 22 16.594 -32.825 32.929 1.00 0.00 C ATOM 0 H ILE A 22 19.624 -32.891 30.520 1.00 0.00 H new ATOM 0 HA ILE A 22 17.435 -33.625 28.936 1.00 0.00 H new ATOM 0 HB ILE A 22 17.850 -31.396 30.962 1.00 0.00 H new ATOM 0 HG12 ILE A 22 16.335 -34.032 31.190 1.00 0.00 H new ATOM 0 HG13 ILE A 22 18.003 -33.837 31.688 1.00 0.00 H new ATOM 0 HG21 ILE A 22 15.371 -31.269 31.089 1.00 0.00 H new ATOM 0 HG22 ILE A 22 15.965 -30.829 29.470 1.00 0.00 H new ATOM 0 HG23 ILE A 22 15.252 -32.435 29.750 1.00 0.00 H new ATOM 0 HD11 ILE A 22 16.492 -33.675 33.604 1.00 0.00 H new ATOM 0 HD12 ILE A 22 17.326 -32.126 33.334 1.00 0.00 H new ATOM 0 HD13 ILE A 22 15.631 -32.325 32.828 1.00 0.00 H new ATOM 302 N GLY A 23 18.691 -30.597 28.427 1.00 0.00 N ATOM 303 CA GLY A 23 18.760 -29.471 27.499 1.00 0.00 C ATOM 304 C GLY A 23 19.347 -29.914 26.168 1.00 0.00 C ATOM 305 O GLY A 23 18.848 -29.556 25.102 1.00 0.00 O ATOM 0 H GLY A 23 19.308 -30.509 29.235 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.763 -29.058 27.344 1.00 0.00 H new ATOM 0 HA3 GLY A 23 19.372 -28.676 27.927 1.00 0.00 H new ATOM 309 N GLY A 24 20.417 -30.700 26.245 1.00 0.00 N ATOM 310 CA GLY A 24 21.097 -31.208 25.058 1.00 0.00 C ATOM 311 C GLY A 24 20.210 -32.198 24.319 1.00 0.00 C ATOM 312 O GLY A 24 19.951 -32.052 23.126 1.00 0.00 O ATOM 0 H GLY A 24 20.835 -31.001 27.126 1.00 0.00 H new ATOM 0 HA2 GLY A 24 21.357 -30.380 24.398 1.00 0.00 H new ATOM 0 HA3 GLY A 24 22.031 -31.691 25.345 1.00 0.00 H new ATOM 316 N TYR A 25 19.748 -33.210 25.047 1.00 0.00 N ATOM 317 CA TYR A 25 18.885 -34.245 24.485 1.00 0.00 C ATOM 318 C TYR A 25 17.649 -33.622 23.856 1.00 0.00 C ATOM 319 O TYR A 25 17.191 -34.049 22.797 1.00 0.00 O ATOM 320 CB TYR A 25 18.435 -35.218 25.576 1.00 0.00 C ATOM 321 CG TYR A 25 17.523 -36.317 25.079 1.00 0.00 C ATOM 322 CD1 TYR A 25 18.035 -37.412 24.395 1.00 0.00 C ATOM 323 CD2 TYR A 25 16.152 -36.256 25.296 1.00 0.00 C ATOM 324 CE1 TYR A 25 17.209 -38.421 23.937 1.00 0.00 C ATOM 325 CE2 TYR A 25 15.311 -37.255 24.845 1.00 0.00 C ATOM 326 CZ TYR A 25 15.852 -38.343 24.161 1.00 0.00 C ATOM 327 OH TYR A 25 15.027 -39.346 23.706 1.00 0.00 O ATOM 0 H TYR A 25 19.959 -33.336 26.037 1.00 0.00 H new ATOM 0 HA TYR A 25 19.457 -34.780 23.727 1.00 0.00 H new ATOM 0 HB2 TYR A 25 19.316 -35.669 26.033 1.00 0.00 H new ATOM 0 HB3 TYR A 25 17.921 -34.659 26.358 1.00 0.00 H new ATOM 0 HD1 TYR A 25 19.098 -37.476 24.218 1.00 0.00 H new ATOM 0 HD2 TYR A 25 15.736 -35.412 25.827 1.00 0.00 H new ATOM 0 HE1 TYR A 25 17.625 -39.265 23.407 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.247 -37.194 25.020 1.00 0.00 H new ATOM 0 HH TYR A 25 14.099 -39.141 23.946 1.00 0.00 H new ATOM 337 N ILE A 26 17.114 -32.604 24.524 1.00 0.00 N ATOM 338 CA ILE A 26 15.926 -31.899 24.052 1.00 0.00 C ATOM 339 C ILE A 26 16.275 -30.994 22.882 1.00 0.00 C ATOM 340 O ILE A 26 15.568 -30.954 21.876 1.00 0.00 O ATOM 341 CB ILE A 26 15.311 -31.025 25.160 1.00 0.00 C ATOM 342 CG1 ILE A 26 14.753 -31.901 26.283 1.00 0.00 C ATOM 343 CG2 ILE A 26 14.178 -30.176 24.603 1.00 0.00 C ATOM 344 CD1 ILE A 26 14.354 -31.128 27.521 1.00 0.00 C ATOM 0 H ILE A 26 17.489 -32.246 25.402 1.00 0.00 H new ATOM 0 HA ILE A 26 15.207 -32.659 23.747 1.00 0.00 H new ATOM 0 HB ILE A 26 16.098 -30.379 25.550 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.885 -32.444 25.910 1.00 0.00 H new ATOM 0 HG13 ILE A 26 15.501 -32.645 26.556 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.755 -29.565 25.400 1.00 0.00 H new ATOM 0 HG22 ILE A 26 14.562 -29.529 23.815 1.00 0.00 H new ATOM 0 HG23 ILE A 26 13.404 -30.825 24.194 1.00 0.00 H new ATOM 0 HD11 ILE A 26 13.968 -31.817 28.272 1.00 0.00 H new ATOM 0 HD12 ILE A 26 15.224 -30.606 27.920 1.00 0.00 H new ATOM 0 HD13 ILE A 26 13.582 -30.402 27.264 1.00 0.00 H new ATOM 356 N VAL A 27 17.377 -30.265 23.028 1.00 0.00 N ATOM 357 CA VAL A 27 17.847 -29.345 21.995 1.00 0.00 C ATOM 358 C VAL A 27 18.475 -30.115 20.844 1.00 0.00 C ATOM 359 O VAL A 27 18.429 -29.686 19.692 1.00 0.00 O ATOM 360 CB VAL A 27 18.904 -28.370 22.546 1.00 0.00 C ATOM 361 CG1 VAL A 27 19.509 -27.547 21.419 1.00 0.00 C ATOM 362 CG2 VAL A 27 18.277 -27.418 23.553 1.00 0.00 C ATOM 0 H VAL A 27 17.967 -30.294 23.860 1.00 0.00 H new ATOM 0 HA VAL A 27 16.978 -28.783 21.651 1.00 0.00 H new ATOM 0 HB VAL A 27 19.681 -28.962 23.030 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.254 -26.864 21.827 1.00 0.00 H new ATOM 0 HG12 VAL A 27 19.983 -28.212 20.697 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.724 -26.975 20.924 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.038 -26.736 23.932 1.00 0.00 H new ATOM 0 HG22 VAL A 27 17.486 -26.846 23.069 1.00 0.00 H new ATOM 0 HG23 VAL A 27 17.857 -27.989 24.381 1.00 0.00 H new ATOM 372 N GLY A 28 19.065 -31.261 21.172 1.00 0.00 N ATOM 373 CA GLY A 28 19.714 -32.115 20.183 1.00 0.00 C ATOM 374 C GLY A 28 18.676 -32.855 19.355 1.00 0.00 C ATOM 375 O GLY A 28 18.940 -33.273 18.229 1.00 0.00 O ATOM 0 H GLY A 28 19.107 -31.622 22.125 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.345 -31.511 19.531 1.00 0.00 H new ATOM 0 HA3 GLY A 28 20.366 -32.831 20.684 1.00 0.00 H new ATOM 379 N ALA A 29 17.487 -33.011 19.931 1.00 0.00 N ATOM 380 CA ALA A 29 16.384 -33.700 19.269 1.00 0.00 C ATOM 381 C ALA A 29 15.624 -32.742 18.364 1.00 0.00 C ATOM 382 O ALA A 29 15.108 -33.129 17.317 1.00 0.00 O ATOM 383 CB ALA A 29 15.415 -34.261 20.299 1.00 0.00 C ATOM 0 H ALA A 29 17.262 -32.666 20.864 1.00 0.00 H new ATOM 0 HA ALA A 29 16.805 -34.512 18.676 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.598 -34.772 19.790 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.938 -34.967 20.944 1.00 0.00 H new ATOM 0 HB3 ALA A 29 15.014 -33.447 20.902 1.00 0.00 H new ATOM 389 N LEU A 30 15.564 -31.482 18.785 1.00 0.00 N ATOM 390 CA LEU A 30 14.872 -30.440 18.030 1.00 0.00 C ATOM 391 C LEU A 30 15.414 -30.362 16.612 1.00 0.00 C ATOM 392 O LEU A 30 14.695 -30.019 15.675 1.00 0.00 O ATOM 393 CB LEU A 30 15.065 -29.077 18.697 1.00 0.00 C ATOM 394 CG LEU A 30 14.344 -28.867 20.031 1.00 0.00 C ATOM 395 CD1 LEU A 30 14.724 -27.526 20.641 1.00 0.00 C ATOM 396 CD2 LEU A 30 12.836 -28.891 19.836 1.00 0.00 C ATOM 0 H LEU A 30 15.990 -31.155 19.652 1.00 0.00 H new ATOM 0 HA LEU A 30 13.812 -30.694 18.008 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.132 -28.922 18.857 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.731 -28.306 18.003 1.00 0.00 H new ATOM 0 HG LEU A 30 14.645 -29.676 20.696 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.201 -27.396 21.588 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.800 -27.496 20.813 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.444 -26.723 19.959 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.343 -28.740 20.796 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.545 -28.096 19.149 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.538 -29.854 19.422 1.00 0.00 H new ATOM 408 N VAL A 31 16.695 -30.686 16.467 1.00 0.00 N ATOM 409 CA VAL A 31 17.365 -30.662 15.169 1.00 0.00 C ATOM 410 C VAL A 31 16.613 -31.522 14.167 1.00 0.00 C ATOM 411 O VAL A 31 16.544 -31.204 12.981 1.00 0.00 O ATOM 412 CB VAL A 31 18.805 -31.198 15.267 1.00 0.00 C ATOM 413 CG1 VAL A 31 19.409 -31.360 13.881 1.00 0.00 C ATOM 414 CG2 VAL A 31 19.678 -30.239 16.062 1.00 0.00 C ATOM 0 H VAL A 31 17.296 -30.971 17.240 1.00 0.00 H new ATOM 0 HA VAL A 31 17.385 -29.622 14.842 1.00 0.00 H new ATOM 0 HB VAL A 31 18.765 -32.165 15.769 1.00 0.00 H new ATOM 0 HG11 VAL A 31 20.427 -31.740 13.970 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.809 -32.062 13.302 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.425 -30.394 13.376 1.00 0.00 H new ATOM 0 HG21 VAL A 31 20.692 -30.634 16.121 1.00 0.00 H new ATOM 0 HG22 VAL A 31 19.695 -29.268 15.568 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.273 -30.127 17.068 1.00 0.00 H new ATOM 424 N ILE A 32 16.047 -32.619 14.661 1.00 0.00 N ATOM 425 CA ILE A 32 15.290 -33.550 13.828 1.00 0.00 C ATOM 426 C ILE A 32 14.035 -32.882 13.290 1.00 0.00 C ATOM 427 O ILE A 32 13.680 -33.041 12.123 1.00 0.00 O ATOM 428 CB ILE A 32 14.860 -34.797 14.623 1.00 0.00 C ATOM 429 CG1 ILE A 32 16.083 -35.626 15.017 1.00 0.00 C ATOM 430 CG2 ILE A 32 13.935 -35.669 13.787 1.00 0.00 C ATOM 431 CD1 ILE A 32 15.779 -36.731 16.005 1.00 0.00 C ATOM 0 H ILE A 32 16.099 -32.887 15.644 1.00 0.00 H new ATOM 0 HA ILE A 32 15.945 -33.848 13.010 1.00 0.00 H new ATOM 0 HB ILE A 32 14.338 -34.458 15.518 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.518 -36.064 14.119 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.836 -34.965 15.446 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.641 -36.546 14.364 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.047 -35.100 13.514 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.454 -35.987 12.883 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.695 -37.275 16.236 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.373 -36.300 16.920 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.050 -37.416 15.572 1.00 0.00 H new ATOM 443 N LEU A 33 13.367 -32.130 14.160 1.00 0.00 N ATOM 444 CA LEU A 33 12.141 -31.422 13.799 1.00 0.00 C ATOM 445 C LEU A 33 12.419 -30.401 12.708 1.00 0.00 C ATOM 446 O LEU A 33 11.706 -30.329 11.708 1.00 0.00 O ATOM 447 CB LEU A 33 11.568 -30.689 15.014 1.00 0.00 C ATOM 448 CG LEU A 33 10.943 -31.565 16.101 1.00 0.00 C ATOM 449 CD1 LEU A 33 10.532 -30.723 17.299 1.00 0.00 C ATOM 450 CD2 LEU A 33 9.706 -32.276 15.573 1.00 0.00 C ATOM 0 H LEU A 33 13.657 -31.994 15.128 1.00 0.00 H new ATOM 0 HA LEU A 33 11.423 -32.160 13.441 1.00 0.00 H new ATOM 0 HB2 LEU A 33 12.366 -30.100 15.466 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.812 -29.986 14.664 1.00 0.00 H new ATOM 0 HG LEU A 33 11.693 -32.297 16.401 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.090 -31.365 18.061 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.409 -30.223 17.710 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.802 -29.976 16.986 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.277 -32.894 16.362 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.972 -31.538 15.250 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.982 -32.907 14.728 1.00 0.00 H new ATOM 462 N ALA A 34 13.468 -29.611 12.914 1.00 0.00 N ATOM 463 CA ALA A 34 13.867 -28.579 11.960 1.00 0.00 C ATOM 464 C ALA A 34 14.173 -29.196 10.605 1.00 0.00 C ATOM 465 O ALA A 34 13.810 -28.653 9.562 1.00 0.00 O ATOM 466 CB ALA A 34 15.111 -27.855 12.452 1.00 0.00 C ATOM 0 H ALA A 34 14.063 -29.666 13.741 1.00 0.00 H new ATOM 0 HA ALA A 34 13.041 -27.874 11.866 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.396 -27.089 11.730 1.00 0.00 H new ATOM 0 HB2 ALA A 34 14.903 -27.387 13.414 1.00 0.00 H new ATOM 0 HB3 ALA A 34 15.927 -28.569 12.564 1.00 0.00 H new ATOM 472 N VAL A 35 14.847 -30.342 10.634 1.00 0.00 N ATOM 473 CA VAL A 35 15.218 -31.060 9.418 1.00 0.00 C ATOM 474 C VAL A 35 13.987 -31.353 8.577 1.00 0.00 C ATOM 475 O VAL A 35 13.995 -31.190 7.358 1.00 0.00 O ATOM 476 CB VAL A 35 15.901 -32.402 9.741 1.00 0.00 C ATOM 477 CG1 VAL A 35 16.089 -33.223 8.474 1.00 0.00 C ATOM 478 CG2 VAL A 35 17.267 -32.167 10.368 1.00 0.00 C ATOM 0 H VAL A 35 15.150 -30.797 11.495 1.00 0.00 H new ATOM 0 HA VAL A 35 15.911 -30.421 8.872 1.00 0.00 H new ATOM 0 HB VAL A 35 15.261 -32.941 10.439 1.00 0.00 H new ATOM 0 HG11 VAL A 35 16.573 -34.168 8.721 1.00 0.00 H new ATOM 0 HG12 VAL A 35 15.117 -33.421 8.021 1.00 0.00 H new ATOM 0 HG13 VAL A 35 16.711 -32.670 7.771 1.00 0.00 H new ATOM 0 HG21 VAL A 35 17.735 -33.126 10.590 1.00 0.00 H new ATOM 0 HG22 VAL A 35 17.895 -31.608 9.674 1.00 0.00 H new ATOM 0 HG23 VAL A 35 17.151 -31.598 11.290 1.00 0.00 H new ATOM 488 N ALA A 36 12.925 -31.791 9.247 1.00 0.00 N ATOM 489 CA ALA A 36 11.665 -32.117 8.585 1.00 0.00 C ATOM 490 C ALA A 36 11.047 -30.872 7.971 1.00 0.00 C ATOM 491 O ALA A 36 10.605 -30.881 6.823 1.00 0.00 O ATOM 492 CB ALA A 36 10.678 -32.702 9.583 1.00 0.00 C ATOM 0 H ALA A 36 12.913 -31.929 10.257 1.00 0.00 H new ATOM 0 HA ALA A 36 11.879 -32.846 7.803 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.744 -32.940 9.074 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.096 -33.610 10.018 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.486 -31.976 10.373 1.00 0.00 H new ATOM 498 N GLY A 37 11.024 -29.796 8.753 1.00 0.00 N ATOM 499 CA GLY A 37 10.464 -28.522 8.312 1.00 0.00 C ATOM 500 C GLY A 37 11.027 -28.137 6.953 1.00 0.00 C ATOM 501 O GLY A 37 10.290 -27.978 5.981 1.00 0.00 O ATOM 0 H GLY A 37 11.391 -29.782 9.705 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.378 -28.595 8.255 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.693 -27.745 9.041 1.00 0.00 H new ATOM 505 N LEU A 38 12.347 -27.989 6.899 1.00 0.00 N ATOM 506 CA LEU A 38 13.042 -27.620 5.668 1.00 0.00 C ATOM 507 C LEU A 38 12.799 -28.663 4.589 1.00 0.00 C ATOM 508 O LEU A 38 12.618 -28.335 3.418 1.00 0.00 O ATOM 509 CB LEU A 38 14.549 -27.518 5.913 1.00 0.00 C ATOM 510 CG LEU A 38 15.020 -26.331 6.755 1.00 0.00 C ATOM 511 CD1 LEU A 38 16.514 -26.423 7.026 1.00 0.00 C ATOM 512 CD2 LEU A 38 14.747 -25.019 6.034 1.00 0.00 C ATOM 0 H LEU A 38 12.963 -28.120 7.701 1.00 0.00 H new ATOM 0 HA LEU A 38 12.655 -26.654 5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 38 14.879 -28.435 6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.050 -27.472 4.946 1.00 0.00 H new ATOM 0 HG LEU A 38 14.470 -26.360 7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.828 -25.569 7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 38 16.730 -27.345 7.566 1.00 0.00 H new ATOM 0 HD13 LEU A 38 17.056 -26.421 6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.089 -24.187 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 38 15.279 -25.009 5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.677 -24.919 5.852 1.00 0.00 H new ATOM 524 N ILE A 39 12.799 -29.927 5.000 1.00 0.00 N ATOM 525 CA ILE A 39 12.580 -31.045 4.087 1.00 0.00 C ATOM 526 C ILE A 39 11.236 -30.910 3.392 1.00 0.00 C ATOM 527 O ILE A 39 11.121 -31.114 2.184 1.00 0.00 O ATOM 528 CB ILE A 39 12.594 -32.393 4.832 1.00 0.00 C ATOM 529 CG1 ILE A 39 13.996 -32.691 5.368 1.00 0.00 C ATOM 530 CG2 ILE A 39 12.185 -33.522 3.898 1.00 0.00 C ATOM 531 CD1 ILE A 39 15.053 -32.793 4.291 1.00 0.00 C ATOM 0 H ILE A 39 12.950 -30.205 5.970 1.00 0.00 H new ATOM 0 HA ILE A 39 13.391 -31.022 3.359 1.00 0.00 H new ATOM 0 HB ILE A 39 11.888 -32.325 5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.281 -31.907 6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 39 13.970 -33.626 5.928 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.200 -34.467 4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 39 11.179 -33.336 3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 39 12.882 -33.573 3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 39 16.019 -33.006 4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 39 14.793 -33.596 3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 39 15.109 -31.851 3.746 1.00 0.00 H new ATOM 543 N TYR A 40 10.218 -30.563 4.174 1.00 0.00 N ATOM 544 CA TYR A 40 8.862 -30.393 3.659 1.00 0.00 C ATOM 545 C TYR A 40 8.784 -29.172 2.758 1.00 0.00 C ATOM 546 O TYR A 40 8.147 -29.197 1.706 1.00 0.00 O ATOM 547 CB TYR A 40 7.871 -30.209 4.810 1.00 0.00 C ATOM 548 CG TYR A 40 6.435 -30.052 4.363 1.00 0.00 C ATOM 549 CD1 TYR A 40 5.687 -31.155 3.972 1.00 0.00 C ATOM 550 CD2 TYR A 40 5.832 -28.801 4.333 1.00 0.00 C ATOM 551 CE1 TYR A 40 4.374 -31.021 3.562 1.00 0.00 C ATOM 552 CE2 TYR A 40 4.521 -28.648 3.925 1.00 0.00 C ATOM 553 CZ TYR A 40 3.793 -29.772 3.538 1.00 0.00 C ATOM 554 OH TYR A 40 2.486 -29.636 3.130 1.00 0.00 O ATOM 0 H TYR A 40 10.308 -30.393 5.176 1.00 0.00 H new ATOM 0 HA TYR A 40 8.608 -31.288 3.091 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.942 -31.068 5.478 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.159 -29.331 5.388 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.140 -32.135 3.989 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.398 -27.932 4.634 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.807 -31.890 3.262 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.065 -27.669 3.906 1.00 0.00 H new ATOM 0 HH TYR A 40 2.227 -28.692 3.172 1.00 0.00 H new ATOM 564 N SER A 41 9.443 -28.098 3.186 1.00 0.00 N ATOM 565 CA SER A 41 9.467 -26.847 2.435 1.00 0.00 C ATOM 566 C SER A 41 10.070 -27.063 1.057 1.00 0.00 C ATOM 567 O SER A 41 9.502 -26.662 0.043 1.00 0.00 O ATOM 568 CB SER A 41 10.304 -25.797 3.169 1.00 0.00 C ATOM 569 OG SER A 41 9.701 -25.432 4.398 1.00 0.00 O ATOM 0 H SER A 41 9.972 -28.071 4.058 1.00 0.00 H new ATOM 0 HA SER A 41 8.438 -26.500 2.338 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.304 -26.189 3.353 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.418 -24.914 2.540 1.00 0.00 H new ATOM 0 HG SER A 41 9.801 -26.164 5.042 1.00 0.00 H new ATOM 575 N MET A 42 11.235 -27.706 1.035 1.00 0.00 N ATOM 576 CA MET A 42 11.943 -27.994 -0.209 1.00 0.00 C ATOM 577 C MET A 42 11.129 -28.934 -1.082 1.00 0.00 C ATOM 578 O MET A 42 11.049 -28.764 -2.298 1.00 0.00 O ATOM 579 CB MET A 42 13.292 -28.654 0.083 1.00 0.00 C ATOM 580 CG MET A 42 14.137 -28.914 -1.154 1.00 0.00 C ATOM 581 SD MET A 42 15.730 -29.662 -0.764 1.00 0.00 S ATOM 582 CE MET A 42 15.219 -31.305 -0.266 1.00 0.00 C ATOM 0 H MET A 42 11.712 -28.040 1.873 1.00 0.00 H new ATOM 0 HA MET A 42 12.097 -27.048 -0.728 1.00 0.00 H new ATOM 0 HB2 MET A 42 13.855 -28.019 0.767 1.00 0.00 H new ATOM 0 HB3 MET A 42 13.118 -29.600 0.596 1.00 0.00 H new ATOM 0 HG2 MET A 42 13.589 -29.568 -1.832 1.00 0.00 H new ATOM 0 HG3 MET A 42 14.301 -27.974 -1.681 1.00 0.00 H new ATOM 0 HE1 MET A 42 16.088 -31.962 -0.234 1.00 0.00 H new ATOM 0 HE2 MET A 42 14.761 -31.260 0.722 1.00 0.00 H new ATOM 0 HE3 MET A 42 14.496 -31.694 -0.983 1.00 0.00 H new ATOM 592 N LEU A 43 10.523 -29.930 -0.443 1.00 0.00 N ATOM 593 CA LEU A 43 9.703 -30.918 -1.137 1.00 0.00 C ATOM 594 C LEU A 43 8.362 -30.318 -1.528 1.00 0.00 C ATOM 595 O LEU A 43 7.848 -30.566 -2.617 1.00 0.00 O ATOM 596 CB LEU A 43 9.447 -32.129 -0.237 1.00 0.00 C ATOM 597 CG LEU A 43 10.659 -33.007 0.080 1.00 0.00 C ATOM 598 CD1 LEU A 43 10.290 -34.092 1.079 1.00 0.00 C ATOM 599 CD2 LEU A 43 11.180 -33.679 -1.181 1.00 0.00 C ATOM 0 H LEU A 43 10.586 -30.075 0.565 1.00 0.00 H new ATOM 0 HA LEU A 43 10.244 -31.229 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.027 -31.773 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.688 -32.752 -0.710 1.00 0.00 H new ATOM 0 HG LEU A 43 11.429 -32.361 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.166 -34.705 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.937 -33.632 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.501 -34.718 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.042 -34.299 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.396 -34.303 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.476 -32.918 -1.903 1.00 0.00 H new ATOM 611 N ARG A 44 7.803 -29.522 -0.622 1.00 0.00 N ATOM 612 CA ARG A 44 6.517 -28.868 -0.845 1.00 0.00 C ATOM 613 C ARG A 44 6.698 -27.601 -1.666 1.00 0.00 C ATOM 614 O ARG A 44 5.838 -27.230 -2.462 1.00 0.00 O ATOM 615 CB ARG A 44 5.869 -28.491 0.489 1.00 0.00 C ATOM 616 CG ARG A 44 4.482 -27.885 0.356 1.00 0.00 C ATOM 617 CD ARG A 44 3.483 -28.903 -0.169 1.00 0.00 C ATOM 618 NE ARG A 44 2.139 -28.341 -0.288 1.00 0.00 N ATOM 619 CZ ARG A 44 1.120 -28.960 -0.874 1.00 0.00 C ATOM 620 NH1 ARG A 44 1.289 -30.167 -1.397 1.00 0.00 N ATOM 621 NH2 ARG A 44 -0.067 -28.372 -0.935 1.00 0.00 N ATOM 0 H ARG A 44 8.225 -29.313 0.283 1.00 0.00 H new ATOM 0 HA ARG A 44 5.878 -29.568 -1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.806 -29.381 1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.515 -27.782 1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.151 -27.514 1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.520 -27.029 -0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.812 -29.265 -1.143 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.458 -29.764 0.499 1.00 0.00 H new ATOM 0 HE ARG A 44 1.973 -27.414 0.104 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.202 -30.620 -1.349 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.506 -30.642 -1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.198 -27.444 -0.532 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.849 -28.848 -1.385 1.00 0.00 H new ATOM 635 N LYS A 45 7.835 -26.942 -1.460 1.00 0.00 N ATOM 636 CA LYS A 45 8.160 -25.709 -2.170 1.00 0.00 C ATOM 637 C LYS A 45 8.527 -26.006 -3.614 1.00 0.00 C ATOM 638 O LYS A 45 8.056 -25.346 -4.539 1.00 0.00 O ATOM 639 CB LYS A 45 9.345 -25.005 -1.506 1.00 0.00 C ATOM 640 CG LYS A 45 9.720 -23.680 -2.150 1.00 0.00 C ATOM 641 CD LYS A 45 10.865 -23.010 -1.408 1.00 0.00 C ATOM 642 CE LYS A 45 11.249 -21.692 -2.061 1.00 0.00 C ATOM 643 NZ LYS A 45 12.362 -21.018 -1.337 1.00 0.00 N ATOM 0 H LYS A 45 8.552 -27.245 -0.801 1.00 0.00 H new ATOM 0 HA LYS A 45 7.281 -25.066 -2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.109 -24.832 -0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.210 -25.668 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.005 -23.846 -3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.853 -23.019 -2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.577 -22.835 -0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.728 -23.675 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.544 -21.871 -3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.381 -21.033 -2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.594 -20.123 -1.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.072 -20.824 -0.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.199 -21.636 -1.334 1.00 0.00 H new ATOM 657 N ALA A 46 9.378 -27.012 -3.795 1.00 0.00 N ATOM 658 CA ALA A 46 9.830 -27.423 -5.121 1.00 0.00 C ATOM 659 C ALA A 46 10.791 -28.596 -4.997 1.00 0.00 C ATOM 660 O ALA A 46 11.078 -29.054 -3.893 1.00 0.00 O ATOM 661 CB ALA A 46 10.502 -26.243 -5.817 1.00 0.00 C ATOM 0 H ALA A 46 9.772 -27.562 -3.032 1.00 0.00 H new ATOM 0 HA ALA A 46 8.976 -27.741 -5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.840 -26.549 -6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.790 -25.424 -5.914 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.357 -25.912 -5.228 1.00 0.00 H new