USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 492 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 64 TRP C :(NH2R) USER MOD Set 1.1: A 2 THR OG1 : rot 90:sc= 1.2 USER MOD Set 1.2: A 9 SER OG : rot -39:sc= 0.228 USER MOD Single : A 1 LEU N :NH3+ -128:sc= 1.42 (180deg=-0.966) USER MOD Single : A 4 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.195 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 21 THR OG1 : rot -86:sc= 1 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -176:sc= -1.16 USER MOD Single : A 33 THR OG1 : rot 75:sc= 1.24 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 48 THR OG1 : rot 92:sc= 1.29 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 79:sc= 1.34 USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= -0.0211 (180deg=-0.189) USER MOD Single : A 55 LYS NZ :NH3+ 129:sc= 0.0067 (180deg=-0.246) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.02) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.998 -3.360 0.797 1.00 0.00 N ATOM 2 CA LEU A 1 4.709 -4.030 0.793 1.00 0.00 C ATOM 3 C LEU A 1 4.881 -5.469 0.383 1.00 0.00 C ATOM 4 O LEU A 1 4.451 -6.371 1.080 1.00 0.00 O ATOM 5 CB LEU A 1 3.742 -3.341 -0.175 1.00 0.00 C ATOM 6 CG LEU A 1 3.230 -1.955 0.216 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.517 -1.336 -0.955 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.277 -2.047 1.392 1.00 0.00 C ATOM 0 H1 LEU A 1 6.140 -2.886 1.712 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.025 -2.654 0.034 1.00 0.00 H new ATOM 0 HA LEU A 1 4.295 -3.980 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.236 -3.258 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.880 -3.993 -0.312 1.00 0.00 H new ATOM 0 HG LEU A 1 4.082 -1.338 0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.151 -0.347 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.207 -1.245 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.676 -1.966 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.925 -1.049 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.426 -2.673 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.794 -2.485 2.246 1.00 0.00 H new ATOM 20 N THR A 2 5.572 -5.667 -0.711 1.00 0.00 N ATOM 21 CA THR A 2 5.823 -6.989 -1.251 1.00 0.00 C ATOM 22 C THR A 2 6.505 -7.883 -0.212 1.00 0.00 C ATOM 23 O THR A 2 6.043 -9.000 0.042 1.00 0.00 O ATOM 24 CB THR A 2 6.703 -6.881 -2.531 1.00 0.00 C ATOM 25 OG1 THR A 2 6.032 -6.151 -3.568 1.00 0.00 O ATOM 26 CG2 THR A 2 7.147 -8.233 -3.038 1.00 0.00 C ATOM 0 H THR A 2 5.982 -4.912 -1.260 1.00 0.00 H new ATOM 0 HA THR A 2 4.867 -7.442 -1.512 1.00 0.00 H new ATOM 0 HB THR A 2 7.598 -6.329 -2.245 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.241 -5.197 -3.485 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.758 -8.104 -3.932 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.732 -8.736 -2.268 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.272 -8.836 -3.281 1.00 0.00 H new ATOM 34 N ALA A 3 7.529 -7.345 0.410 1.00 0.00 N ATOM 35 CA ALA A 3 8.345 -8.060 1.383 1.00 0.00 C ATOM 36 C ALA A 3 7.564 -8.430 2.646 1.00 0.00 C ATOM 37 O ALA A 3 7.617 -9.565 3.115 1.00 0.00 O ATOM 38 CB ALA A 3 9.545 -7.207 1.757 1.00 0.00 C ATOM 0 H ALA A 3 7.829 -6.382 0.256 1.00 0.00 H new ATOM 0 HA ALA A 3 8.667 -8.992 0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.157 -7.739 2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.137 -7.002 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.203 -6.267 2.189 1.00 0.00 H new ATOM 44 N ASN A 4 6.821 -7.485 3.162 1.00 0.00 N ATOM 45 CA ASN A 4 6.134 -7.660 4.439 1.00 0.00 C ATOM 46 C ASN A 4 4.822 -8.375 4.289 1.00 0.00 C ATOM 47 O ASN A 4 4.425 -9.143 5.159 1.00 0.00 O ATOM 48 CB ASN A 4 5.930 -6.313 5.156 1.00 0.00 C ATOM 49 CG ASN A 4 7.216 -5.735 5.725 1.00 0.00 C ATOM 50 OD1 ASN A 4 7.554 -5.953 6.892 1.00 0.00 O ATOM 51 ND2 ASN A 4 7.945 -5.014 4.923 1.00 0.00 N ATOM 0 H ASN A 4 6.669 -6.577 2.723 1.00 0.00 H new ATOM 0 HA ASN A 4 6.781 -8.286 5.053 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.497 -5.598 4.456 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.210 -6.444 5.964 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.822 -4.612 5.254 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.639 -4.851 3.964 1.00 0.00 H new ATOM 58 N LEU A 5 4.141 -8.144 3.200 1.00 0.00 N ATOM 59 CA LEU A 5 2.849 -8.759 3.006 1.00 0.00 C ATOM 60 C LEU A 5 3.005 -10.084 2.306 1.00 0.00 C ATOM 61 O LEU A 5 2.195 -10.992 2.494 1.00 0.00 O ATOM 62 CB LEU A 5 1.980 -7.851 2.167 1.00 0.00 C ATOM 63 CG LEU A 5 1.814 -6.426 2.679 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.158 -5.592 1.622 1.00 0.00 C ATOM 65 CD2 LEU A 5 1.012 -6.388 3.973 1.00 0.00 C ATOM 0 H LEU A 5 4.452 -7.541 2.438 1.00 0.00 H new ATOM 0 HA LEU A 5 2.384 -8.921 3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.398 -7.808 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.992 -8.303 2.082 1.00 0.00 H new ATOM 0 HG LEU A 5 2.800 -6.018 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.038 -4.572 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.778 -5.587 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.180 -6.010 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.913 -5.356 4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.022 -6.810 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.526 -6.971 4.737 1.00 0.00 H new ATOM 77 N GLY A 6 4.058 -10.208 1.513 1.00 0.00 N ATOM 78 CA GLY A 6 4.289 -11.450 0.821 1.00 0.00 C ATOM 79 C GLY A 6 3.401 -11.531 -0.377 1.00 0.00 C ATOM 80 O GLY A 6 2.775 -12.563 -0.648 1.00 0.00 O ATOM 0 H GLY A 6 4.748 -9.477 1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.333 -11.519 0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.095 -12.290 1.487 1.00 0.00 H new ATOM 84 N ILE A 7 3.325 -10.439 -1.075 1.00 0.00 N ATOM 85 CA ILE A 7 2.469 -10.319 -2.233 1.00 0.00 C ATOM 86 C ILE A 7 3.301 -10.071 -3.459 1.00 0.00 C ATOM 87 O ILE A 7 4.529 -9.990 -3.372 1.00 0.00 O ATOM 88 CB ILE A 7 1.438 -9.171 -2.085 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.142 -7.819 -1.842 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.443 -9.484 -0.979 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.202 -6.633 -1.789 1.00 0.00 C ATOM 0 H ILE A 7 3.857 -9.595 -0.862 1.00 0.00 H new ATOM 0 HA ILE A 7 1.921 -11.257 -2.325 1.00 0.00 H new ATOM 0 HB ILE A 7 0.885 -9.087 -3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.695 -7.873 -0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.873 -7.655 -2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.272 -8.666 -0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.088 -10.406 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.974 -9.605 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.775 -5.722 -1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.667 -6.550 -2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.486 -6.772 -0.979 1.00 0.00 H new ATOM 103 N SER A 8 2.659 -9.977 -4.584 1.00 0.00 N ATOM 104 CA SER A 8 3.341 -9.670 -5.793 1.00 0.00 C ATOM 105 C SER A 8 3.608 -8.168 -5.821 1.00 0.00 C ATOM 106 O SER A 8 2.889 -7.383 -5.175 1.00 0.00 O ATOM 107 CB SER A 8 2.490 -10.088 -7.001 1.00 0.00 C ATOM 108 OG SER A 8 1.249 -9.387 -7.018 1.00 0.00 O ATOM 0 H SER A 8 1.653 -10.111 -4.684 1.00 0.00 H new ATOM 0 HA SER A 8 4.284 -10.215 -5.843 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.037 -9.889 -7.922 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.305 -11.162 -6.966 1.00 0.00 H new ATOM 0 HG SER A 8 0.725 -9.668 -7.797 1.00 0.00 H new ATOM 114 N SER A 9 4.602 -7.761 -6.551 1.00 0.00 N ATOM 115 CA SER A 9 4.915 -6.368 -6.665 1.00 0.00 C ATOM 116 C SER A 9 3.857 -5.624 -7.492 1.00 0.00 C ATOM 117 O SER A 9 3.748 -4.401 -7.416 1.00 0.00 O ATOM 118 CB SER A 9 6.312 -6.207 -7.218 1.00 0.00 C ATOM 119 OG SER A 9 7.241 -6.843 -6.338 1.00 0.00 O ATOM 0 H SER A 9 5.215 -8.380 -7.081 1.00 0.00 H new ATOM 0 HA SER A 9 4.895 -5.911 -5.676 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.375 -6.647 -8.213 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.556 -5.150 -7.321 1.00 0.00 H new ATOM 0 HG SER A 9 6.975 -6.681 -5.409 1.00 0.00 H new ATOM 125 N TYR A 10 3.063 -6.375 -8.254 1.00 0.00 N ATOM 126 CA TYR A 10 1.955 -5.814 -8.996 1.00 0.00 C ATOM 127 C TYR A 10 0.875 -5.416 -8.001 1.00 0.00 C ATOM 128 O TYR A 10 0.348 -4.312 -8.055 1.00 0.00 O ATOM 129 CB TYR A 10 1.390 -6.840 -9.984 1.00 0.00 C ATOM 130 CG TYR A 10 0.398 -6.266 -10.993 1.00 0.00 C ATOM 131 CD1 TYR A 10 -0.902 -5.907 -10.624 1.00 0.00 C ATOM 132 CD2 TYR A 10 0.769 -6.087 -12.318 1.00 0.00 C ATOM 133 CE1 TYR A 10 -1.785 -5.390 -11.546 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.114 -5.570 -13.242 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.388 -5.223 -12.851 1.00 0.00 C ATOM 136 OH TYR A 10 -2.277 -4.700 -13.778 1.00 0.00 O ATOM 0 H TYR A 10 3.176 -7.382 -8.368 1.00 0.00 H new ATOM 0 HA TYR A 10 2.295 -4.948 -9.564 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.217 -7.297 -10.527 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.899 -7.635 -9.422 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.219 -6.037 -9.600 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.767 -6.357 -12.631 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.785 -5.117 -11.245 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.192 -5.438 -14.269 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.841 -4.645 -14.654 1.00 0.00 H new ATOM 146 N ALA A 11 0.563 -6.322 -7.077 1.00 0.00 N ATOM 147 CA ALA A 11 -0.423 -6.044 -6.045 1.00 0.00 C ATOM 148 C ALA A 11 0.055 -4.914 -5.172 1.00 0.00 C ATOM 149 O ALA A 11 -0.727 -4.072 -4.773 1.00 0.00 O ATOM 150 CB ALA A 11 -0.723 -7.284 -5.223 1.00 0.00 C ATOM 0 H ALA A 11 0.980 -7.252 -7.025 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.354 -5.743 -6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.463 -7.044 -4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.113 -8.066 -5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.192 -7.633 -4.744 1.00 0.00 H new ATOM 156 N ALA A 12 1.353 -4.881 -4.921 1.00 0.00 N ATOM 157 CA ALA A 12 1.961 -3.808 -4.162 1.00 0.00 C ATOM 158 C ALA A 12 1.796 -2.479 -4.893 1.00 0.00 C ATOM 159 O ALA A 12 1.484 -1.472 -4.284 1.00 0.00 O ATOM 160 CB ALA A 12 3.424 -4.097 -3.914 1.00 0.00 C ATOM 0 H ALA A 12 2.010 -5.595 -5.237 1.00 0.00 H new ATOM 0 HA ALA A 12 1.456 -3.738 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.864 -3.280 -3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.521 -5.026 -3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.943 -4.193 -4.868 1.00 0.00 H new ATOM 166 N LYS A 13 1.976 -2.508 -6.211 1.00 0.00 N ATOM 167 CA LYS A 13 1.827 -1.325 -7.064 1.00 0.00 C ATOM 168 C LYS A 13 0.381 -0.846 -7.003 1.00 0.00 C ATOM 169 O LYS A 13 0.110 0.357 -6.936 1.00 0.00 O ATOM 170 CB LYS A 13 2.193 -1.679 -8.507 1.00 0.00 C ATOM 171 CG LYS A 13 2.260 -0.502 -9.476 1.00 0.00 C ATOM 172 CD LYS A 13 3.413 0.429 -9.156 1.00 0.00 C ATOM 173 CE LYS A 13 3.541 1.516 -10.208 1.00 0.00 C ATOM 174 NZ LYS A 13 4.684 2.412 -9.944 1.00 0.00 N ATOM 0 H LYS A 13 2.230 -3.353 -6.722 1.00 0.00 H new ATOM 0 HA LYS A 13 2.490 -0.534 -6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.161 -2.181 -8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.463 -2.396 -8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.367 -0.876 -10.494 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.323 0.054 -9.437 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.259 0.882 -8.177 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.341 -0.140 -9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.659 1.058 -11.190 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.622 2.101 -10.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.734 3.139 -10.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.560 2.870 -9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.565 1.859 -9.941 1.00 0.00 H new ATOM 188 N LYS A 14 -0.536 -1.807 -7.029 1.00 0.00 N ATOM 189 CA LYS A 14 -1.954 -1.535 -6.873 1.00 0.00 C ATOM 190 C LYS A 14 -2.198 -0.816 -5.555 1.00 0.00 C ATOM 191 O LYS A 14 -2.845 0.228 -5.533 1.00 0.00 O ATOM 192 CB LYS A 14 -2.775 -2.835 -6.919 1.00 0.00 C ATOM 193 CG LYS A 14 -2.880 -3.540 -8.282 1.00 0.00 C ATOM 194 CD LYS A 14 -4.036 -3.015 -9.163 1.00 0.00 C ATOM 195 CE LYS A 14 -3.848 -1.580 -9.641 1.00 0.00 C ATOM 196 NZ LYS A 14 -4.970 -1.129 -10.491 1.00 0.00 N ATOM 0 H LYS A 14 -0.314 -2.794 -7.159 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.274 -0.901 -7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.341 -3.536 -6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.784 -2.612 -6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.940 -3.416 -8.819 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.015 -4.609 -8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.142 -3.665 -10.031 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.967 -3.081 -8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.758 -0.919 -8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.916 -1.503 -10.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.803 -0.148 -10.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.041 -1.743 -11.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.857 -1.177 -9.950 1.00 0.00 H new ATOM 210 N VAL A 15 -1.654 -1.376 -4.469 1.00 0.00 N ATOM 211 CA VAL A 15 -1.755 -0.766 -3.133 1.00 0.00 C ATOM 212 C VAL A 15 -1.231 0.671 -3.165 1.00 0.00 C ATOM 213 O VAL A 15 -1.896 1.585 -2.673 1.00 0.00 O ATOM 214 CB VAL A 15 -0.953 -1.554 -2.056 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.098 -0.909 -0.680 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.374 -3.009 -1.999 1.00 0.00 C ATOM 0 H VAL A 15 -1.136 -2.255 -4.487 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.811 -0.787 -2.863 1.00 0.00 H new ATOM 0 HB VAL A 15 0.096 -1.517 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.527 -1.481 0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.721 0.113 -0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.149 -0.898 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.792 -3.526 -1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.434 -3.072 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.199 -3.477 -2.968 1.00 0.00 H new ATOM 226 N ILE A 16 -0.054 0.851 -3.773 1.00 0.00 N ATOM 227 CA ILE A 16 0.595 2.159 -3.901 1.00 0.00 C ATOM 228 C ILE A 16 -0.328 3.166 -4.553 1.00 0.00 C ATOM 229 O ILE A 16 -0.553 4.246 -4.013 1.00 0.00 O ATOM 230 CB ILE A 16 1.914 2.079 -4.728 1.00 0.00 C ATOM 231 CG1 ILE A 16 2.955 1.210 -4.022 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.484 3.468 -5.010 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.370 1.724 -2.663 1.00 0.00 C ATOM 0 H ILE A 16 0.478 0.089 -4.192 1.00 0.00 H new ATOM 0 HA ILE A 16 0.834 2.482 -2.888 1.00 0.00 H new ATOM 0 HB ILE A 16 1.668 1.615 -5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.556 0.202 -3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.839 1.134 -4.655 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.403 3.374 -5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.758 4.051 -5.576 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.699 3.971 -4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.110 1.051 -2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.801 2.720 -2.767 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.498 1.773 -2.011 1.00 0.00 H new ATOM 245 N ASP A 17 -0.878 2.798 -5.691 1.00 0.00 N ATOM 246 CA ASP A 17 -1.752 3.690 -6.437 1.00 0.00 C ATOM 247 C ASP A 17 -2.968 4.046 -5.606 1.00 0.00 C ATOM 248 O ASP A 17 -3.381 5.188 -5.554 1.00 0.00 O ATOM 249 CB ASP A 17 -2.191 3.056 -7.757 1.00 0.00 C ATOM 250 CG ASP A 17 -2.905 4.037 -8.672 1.00 0.00 C ATOM 251 OD1 ASP A 17 -2.221 4.758 -9.434 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.155 4.078 -8.689 1.00 0.00 O ATOM 0 H ASP A 17 -0.737 1.885 -6.124 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.192 4.598 -6.663 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.317 2.656 -8.271 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.851 2.214 -7.549 1.00 0.00 H new ATOM 257 N ILE A 18 -3.490 3.080 -4.902 1.00 0.00 N ATOM 258 CA ILE A 18 -4.673 3.288 -4.085 1.00 0.00 C ATOM 259 C ILE A 18 -4.380 4.193 -2.879 1.00 0.00 C ATOM 260 O ILE A 18 -5.063 5.194 -2.687 1.00 0.00 O ATOM 261 CB ILE A 18 -5.281 1.960 -3.606 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.695 1.102 -4.798 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.476 2.221 -2.699 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.103 -0.303 -4.429 1.00 0.00 C ATOM 0 H ILE A 18 -3.118 2.131 -4.872 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.402 3.788 -4.724 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.525 1.419 -3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.525 1.588 -5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.866 1.055 -5.505 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.896 1.271 -2.368 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.155 2.798 -1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.234 2.781 -3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.383 -0.849 -5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.268 -0.808 -3.943 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.953 -0.268 -3.747 1.00 0.00 H new ATOM 276 N ILE A 19 -3.371 3.851 -2.084 1.00 0.00 N ATOM 277 CA ILE A 19 -3.009 4.675 -0.906 1.00 0.00 C ATOM 278 C ILE A 19 -2.618 6.107 -1.329 1.00 0.00 C ATOM 279 O ILE A 19 -2.772 7.063 -0.564 1.00 0.00 O ATOM 280 CB ILE A 19 -1.846 4.052 -0.058 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.560 3.950 -0.894 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.252 2.686 0.493 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.646 3.439 -0.148 1.00 0.00 C ATOM 0 H ILE A 19 -2.789 3.024 -2.219 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.900 4.705 -0.279 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.647 4.710 0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.748 3.294 -1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.328 4.935 -1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.431 2.271 1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.131 2.796 1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.484 2.014 -0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.502 3.403 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.868 4.106 0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.441 2.438 0.233 1.00 0.00 H new ATOM 295 N ASN A 20 -2.133 6.234 -2.553 1.00 0.00 N ATOM 296 CA ASN A 20 -1.698 7.508 -3.099 1.00 0.00 C ATOM 297 C ASN A 20 -2.908 8.325 -3.576 1.00 0.00 C ATOM 298 O ASN A 20 -2.891 9.547 -3.542 1.00 0.00 O ATOM 299 CB ASN A 20 -0.757 7.246 -4.287 1.00 0.00 C ATOM 300 CG ASN A 20 0.227 8.364 -4.579 1.00 0.00 C ATOM 301 OD1 ASN A 20 -0.019 9.539 -4.310 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.356 7.993 -5.138 1.00 0.00 N ATOM 0 H ASN A 20 -2.030 5.451 -3.199 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.178 8.072 -2.325 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.198 6.330 -4.094 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.360 7.070 -5.178 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.066 8.689 -5.364 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.523 7.008 -5.346 1.00 0.00 H new ATOM 309 N THR A 21 -3.964 7.643 -3.983 1.00 0.00 N ATOM 310 CA THR A 21 -5.137 8.303 -4.552 1.00 0.00 C ATOM 311 C THR A 21 -6.242 8.546 -3.526 1.00 0.00 C ATOM 312 O THR A 21 -6.880 9.611 -3.516 1.00 0.00 O ATOM 313 CB THR A 21 -5.716 7.482 -5.730 1.00 0.00 C ATOM 314 OG1 THR A 21 -5.906 6.106 -5.334 1.00 0.00 O ATOM 315 CG2 THR A 21 -4.791 7.497 -6.906 1.00 0.00 C ATOM 0 H THR A 21 -4.038 6.627 -3.932 1.00 0.00 H new ATOM 0 HA THR A 21 -4.789 9.273 -4.906 1.00 0.00 H new ATOM 0 HB THR A 21 -6.667 7.938 -6.005 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.074 5.607 -5.474 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.224 6.912 -7.717 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.642 8.524 -7.239 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.832 7.065 -6.620 1.00 0.00 H new ATOM 323 N GLY A 22 -6.469 7.556 -2.691 1.00 0.00 N ATOM 324 CA GLY A 22 -7.532 7.596 -1.719 1.00 0.00 C ATOM 325 C GLY A 22 -7.392 8.695 -0.692 1.00 0.00 C ATOM 326 O GLY A 22 -6.275 9.109 -0.334 1.00 0.00 O ATOM 0 H GLY A 22 -5.917 6.698 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.481 7.720 -2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.574 6.636 -1.204 1.00 0.00 H new ATOM 330 N SER A 23 -8.514 9.150 -0.220 1.00 0.00 N ATOM 331 CA SER A 23 -8.584 10.215 0.727 1.00 0.00 C ATOM 332 C SER A 23 -8.810 9.682 2.144 1.00 0.00 C ATOM 333 O SER A 23 -7.891 9.658 2.953 1.00 0.00 O ATOM 334 CB SER A 23 -9.700 11.160 0.318 1.00 0.00 C ATOM 335 OG SER A 23 -9.431 11.761 -0.947 1.00 0.00 O ATOM 0 H SER A 23 -9.425 8.780 -0.491 1.00 0.00 H new ATOM 0 HA SER A 23 -7.636 10.752 0.735 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.643 10.615 0.271 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.818 11.936 1.074 1.00 0.00 H new ATOM 0 HG SER A 23 -10.166 12.363 -1.186 1.00 0.00 H new ATOM 341 N ALA A 24 -10.024 9.247 2.422 1.00 0.00 N ATOM 342 CA ALA A 24 -10.373 8.704 3.730 1.00 0.00 C ATOM 343 C ALA A 24 -9.706 7.358 3.965 1.00 0.00 C ATOM 344 O ALA A 24 -9.659 6.518 3.054 1.00 0.00 O ATOM 345 CB ALA A 24 -11.875 8.568 3.872 1.00 0.00 C ATOM 0 H ALA A 24 -10.795 9.258 1.755 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.009 9.404 4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.112 8.161 4.855 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.341 9.547 3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.254 7.897 3.101 1.00 0.00 H new ATOM 351 N VAL A 25 -9.232 7.149 5.186 1.00 0.00 N ATOM 352 CA VAL A 25 -8.499 5.934 5.577 1.00 0.00 C ATOM 353 C VAL A 25 -9.314 4.684 5.274 1.00 0.00 C ATOM 354 O VAL A 25 -8.850 3.778 4.569 1.00 0.00 O ATOM 355 CB VAL A 25 -8.127 5.936 7.093 1.00 0.00 C ATOM 356 CG1 VAL A 25 -7.272 4.728 7.458 1.00 0.00 C ATOM 357 CG2 VAL A 25 -7.426 7.222 7.497 1.00 0.00 C ATOM 0 H VAL A 25 -9.342 7.820 5.946 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.580 5.927 4.991 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.063 5.873 7.649 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.031 4.761 8.521 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.822 3.813 7.239 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.350 4.745 6.876 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.183 7.186 8.559 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.509 7.334 6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.082 8.070 7.304 1.00 0.00 H new ATOM 367 N ALA A 26 -10.541 4.672 5.758 1.00 0.00 N ATOM 368 CA ALA A 26 -11.442 3.551 5.586 1.00 0.00 C ATOM 369 C ALA A 26 -11.736 3.277 4.116 1.00 0.00 C ATOM 370 O ALA A 26 -11.944 2.120 3.724 1.00 0.00 O ATOM 371 CB ALA A 26 -12.724 3.781 6.356 1.00 0.00 C ATOM 0 H ALA A 26 -10.943 5.447 6.286 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.946 2.666 5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.390 2.930 6.216 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.497 3.894 7.416 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.210 4.686 5.991 1.00 0.00 H new ATOM 377 N THR A 27 -11.703 4.315 3.300 1.00 0.00 N ATOM 378 CA THR A 27 -11.979 4.167 1.894 1.00 0.00 C ATOM 379 C THR A 27 -10.790 3.499 1.219 1.00 0.00 C ATOM 380 O THR A 27 -10.952 2.614 0.377 1.00 0.00 O ATOM 381 CB THR A 27 -12.252 5.532 1.253 1.00 0.00 C ATOM 382 OG1 THR A 27 -13.233 6.227 2.046 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.783 5.368 -0.171 1.00 0.00 C ATOM 0 H THR A 27 -11.487 5.268 3.593 1.00 0.00 H new ATOM 0 HA THR A 27 -12.867 3.548 1.766 1.00 0.00 H new ATOM 0 HB THR A 27 -11.321 6.097 1.212 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.462 7.076 1.613 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.969 6.350 -0.605 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.047 4.838 -0.775 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.712 4.799 -0.149 1.00 0.00 H new ATOM 391 N ILE A 28 -9.596 3.892 1.639 1.00 0.00 N ATOM 392 CA ILE A 28 -8.376 3.327 1.121 1.00 0.00 C ATOM 393 C ILE A 28 -8.331 1.859 1.458 1.00 0.00 C ATOM 394 O ILE A 28 -8.160 1.033 0.569 1.00 0.00 O ATOM 395 CB ILE A 28 -7.146 4.058 1.698 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.204 5.524 1.300 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.851 3.422 1.199 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.225 6.406 2.018 1.00 0.00 C ATOM 0 H ILE A 28 -9.455 4.611 2.348 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.354 3.449 0.038 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.161 3.975 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.025 5.603 0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.212 5.897 1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.998 3.955 1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.815 2.378 1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.814 3.479 0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.338 7.433 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.415 6.363 3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.210 6.064 1.815 1.00 0.00 H new ATOM 410 N ILE A 29 -8.562 1.539 2.732 1.00 0.00 N ATOM 411 CA ILE A 29 -8.589 0.153 3.202 1.00 0.00 C ATOM 412 C ILE A 29 -9.557 -0.686 2.361 1.00 0.00 C ATOM 413 O ILE A 29 -9.226 -1.795 1.953 1.00 0.00 O ATOM 414 CB ILE A 29 -9.015 0.078 4.687 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.055 0.887 5.545 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.056 -1.377 5.171 1.00 0.00 C ATOM 417 CD1 ILE A 29 -8.531 1.082 6.951 1.00 0.00 C ATOM 0 H ILE A 29 -8.735 2.229 3.463 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.580 -0.246 3.100 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.017 0.497 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.087 0.387 5.564 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.901 1.862 5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.358 -1.404 6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.772 -1.940 4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.067 -1.823 5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.797 1.667 7.506 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.485 1.610 6.942 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.658 0.111 7.430 1.00 0.00 H new ATOM 429 N ALA A 30 -10.714 -0.114 2.051 1.00 0.00 N ATOM 430 CA ALA A 30 -11.738 -0.810 1.291 1.00 0.00 C ATOM 431 C ALA A 30 -11.266 -1.090 -0.128 1.00 0.00 C ATOM 432 O ALA A 30 -11.451 -2.198 -0.644 1.00 0.00 O ATOM 433 CB ALA A 30 -13.035 -0.010 1.275 1.00 0.00 C ATOM 0 H ALA A 30 -10.965 0.838 2.318 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.929 -1.765 1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.788 -0.549 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.389 0.130 2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.857 0.963 0.817 1.00 0.00 H new ATOM 439 N LEU A 31 -10.606 -0.112 -0.730 1.00 0.00 N ATOM 440 CA LEU A 31 -10.129 -0.240 -2.097 1.00 0.00 C ATOM 441 C LEU A 31 -8.965 -1.227 -2.175 1.00 0.00 C ATOM 442 O LEU A 31 -8.924 -2.103 -3.065 1.00 0.00 O ATOM 443 CB LEU A 31 -9.709 1.124 -2.648 1.00 0.00 C ATOM 444 CG LEU A 31 -10.808 2.183 -2.799 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.202 3.516 -3.204 1.00 0.00 C ATOM 446 CD2 LEU A 31 -11.831 1.746 -3.831 1.00 0.00 C ATOM 0 H LEU A 31 -10.388 0.782 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.946 -0.625 -2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.936 1.529 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.252 0.968 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.308 2.298 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.993 4.259 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.496 3.842 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.681 3.405 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.603 2.510 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.340 1.607 -4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.286 0.807 -3.517 1.00 0.00 H new ATOM 458 N VAL A 32 -8.037 -1.121 -1.233 1.00 0.00 N ATOM 459 CA VAL A 32 -6.887 -2.007 -1.219 1.00 0.00 C ATOM 460 C VAL A 32 -7.367 -3.442 -0.978 1.00 0.00 C ATOM 461 O VAL A 32 -6.932 -4.374 -1.647 1.00 0.00 O ATOM 462 CB VAL A 32 -5.828 -1.622 -0.148 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.570 -2.396 -0.376 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.503 -0.151 -0.178 1.00 0.00 C ATOM 0 H VAL A 32 -8.059 -0.437 -0.477 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.396 -1.916 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.254 -1.860 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.832 -2.121 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.781 -3.463 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.178 -2.169 -1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.759 0.073 0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.107 0.114 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.408 0.425 0.016 1.00 0.00 H new ATOM 474 N THR A 33 -8.319 -3.588 -0.065 1.00 0.00 N ATOM 475 CA THR A 33 -8.932 -4.871 0.243 1.00 0.00 C ATOM 476 C THR A 33 -9.675 -5.439 -0.984 1.00 0.00 C ATOM 477 O THR A 33 -9.697 -6.647 -1.204 1.00 0.00 O ATOM 478 CB THR A 33 -9.883 -4.734 1.465 1.00 0.00 C ATOM 479 OG1 THR A 33 -9.110 -4.371 2.630 1.00 0.00 O ATOM 480 CG2 THR A 33 -10.668 -6.005 1.742 1.00 0.00 C ATOM 0 H THR A 33 -8.689 -2.813 0.486 1.00 0.00 H new ATOM 0 HA THR A 33 -8.143 -5.577 0.502 1.00 0.00 H new ATOM 0 HB THR A 33 -10.610 -3.957 1.231 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.859 -3.425 2.574 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.315 -5.852 2.605 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.276 -6.254 0.872 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.977 -6.822 1.947 1.00 0.00 H new ATOM 488 N ALA A 34 -10.215 -4.560 -1.808 1.00 0.00 N ATOM 489 CA ALA A 34 -10.921 -4.973 -3.012 1.00 0.00 C ATOM 490 C ALA A 34 -9.951 -5.565 -4.022 1.00 0.00 C ATOM 491 O ALA A 34 -10.336 -6.358 -4.886 1.00 0.00 O ATOM 492 CB ALA A 34 -11.674 -3.808 -3.622 1.00 0.00 C ATOM 0 H ALA A 34 -10.179 -3.551 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.645 -5.740 -2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.194 -4.141 -4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.400 -3.427 -2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.971 -3.016 -3.882 1.00 0.00 H new ATOM 498 N VAL A 35 -8.705 -5.164 -3.933 1.00 0.00 N ATOM 499 CA VAL A 35 -7.686 -5.698 -4.805 1.00 0.00 C ATOM 500 C VAL A 35 -6.978 -6.914 -4.184 1.00 0.00 C ATOM 501 O VAL A 35 -6.892 -7.969 -4.806 1.00 0.00 O ATOM 502 CB VAL A 35 -6.640 -4.619 -5.185 1.00 0.00 C ATOM 503 CG1 VAL A 35 -5.535 -5.204 -6.056 1.00 0.00 C ATOM 504 CG2 VAL A 35 -7.313 -3.469 -5.908 1.00 0.00 C ATOM 0 H VAL A 35 -8.372 -4.469 -3.265 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.196 -6.025 -5.711 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.189 -4.250 -4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.817 -4.423 -6.306 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.029 -6.003 -5.514 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.968 -5.605 -6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.568 -2.718 -6.170 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.789 -3.839 -6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.066 -3.022 -5.259 1.00 0.00 H new ATOM 514 N VAL A 36 -6.509 -6.774 -2.958 1.00 0.00 N ATOM 515 CA VAL A 36 -5.683 -7.830 -2.342 1.00 0.00 C ATOM 516 C VAL A 36 -6.488 -8.873 -1.567 1.00 0.00 C ATOM 517 O VAL A 36 -5.920 -9.819 -1.010 1.00 0.00 O ATOM 518 CB VAL A 36 -4.584 -7.262 -1.415 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.662 -6.314 -2.171 1.00 0.00 C ATOM 520 CG2 VAL A 36 -5.183 -6.587 -0.187 1.00 0.00 C ATOM 0 H VAL A 36 -6.674 -5.959 -2.367 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.218 -8.326 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.984 -8.102 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.899 -5.930 -1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.183 -6.849 -2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.243 -5.483 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.382 -6.199 0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.827 -5.766 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.769 -7.312 0.377 1.00 0.00 H new ATOM 530 N GLY A 37 -7.766 -8.691 -1.482 1.00 0.00 N ATOM 531 CA GLY A 37 -8.610 -9.637 -0.779 1.00 0.00 C ATOM 532 C GLY A 37 -8.926 -9.175 0.615 1.00 0.00 C ATOM 533 O GLY A 37 -10.083 -9.209 1.058 1.00 0.00 O ATOM 0 H GLY A 37 -8.261 -7.897 -1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.537 -9.779 -1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.113 -10.606 -0.737 1.00 0.00 H new ATOM 537 N GLY A 38 -7.912 -8.727 1.283 1.00 0.00 N ATOM 538 CA GLY A 38 -8.035 -8.240 2.631 1.00 0.00 C ATOM 539 C GLY A 38 -7.105 -8.963 3.561 1.00 0.00 C ATOM 540 O GLY A 38 -6.372 -9.860 3.130 1.00 0.00 O ATOM 0 H GLY A 38 -6.964 -8.686 0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.818 -7.172 2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.063 -8.364 2.972 1.00 0.00 H new ATOM 544 N GLY A 39 -7.052 -8.517 4.799 1.00 0.00 N ATOM 545 CA GLY A 39 -6.274 -9.183 5.836 1.00 0.00 C ATOM 546 C GLY A 39 -4.838 -8.727 5.851 1.00 0.00 C ATOM 547 O GLY A 39 -4.119 -8.884 6.846 1.00 0.00 O ATOM 0 H GLY A 39 -7.545 -7.684 5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.726 -8.988 6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.310 -10.261 5.679 1.00 0.00 H new ATOM 551 N LEU A 40 -4.427 -8.174 4.754 1.00 0.00 N ATOM 552 CA LEU A 40 -3.081 -7.717 4.566 1.00 0.00 C ATOM 553 C LEU A 40 -2.950 -6.227 4.894 1.00 0.00 C ATOM 554 O LEU A 40 -2.433 -5.843 5.960 1.00 0.00 O ATOM 555 CB LEU A 40 -2.663 -8.004 3.126 1.00 0.00 C ATOM 556 CG LEU A 40 -2.637 -9.483 2.721 1.00 0.00 C ATOM 557 CD1 LEU A 40 -2.379 -9.619 1.237 1.00 0.00 C ATOM 558 CD2 LEU A 40 -1.576 -10.242 3.512 1.00 0.00 C ATOM 0 H LEU A 40 -5.029 -8.023 3.945 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.419 -8.250 5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.343 -7.476 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.669 -7.585 2.966 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.611 -9.915 2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.364 -10.675 0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.169 -9.113 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.418 -9.167 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.575 -11.289 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.596 -9.807 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.798 -10.173 4.577 1.00 0.00 H new ATOM 570 N ILE A 41 -3.439 -5.385 4.022 1.00 0.00 N ATOM 571 CA ILE A 41 -3.315 -3.981 4.237 1.00 0.00 C ATOM 572 C ILE A 41 -4.406 -3.509 5.167 1.00 0.00 C ATOM 573 O ILE A 41 -5.576 -3.392 4.779 1.00 0.00 O ATOM 574 CB ILE A 41 -3.288 -3.124 2.919 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.108 -3.520 2.009 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.205 -1.636 3.237 1.00 0.00 C ATOM 577 CD1 ILE A 41 -2.304 -4.788 1.208 1.00 0.00 C ATOM 0 H ILE A 41 -3.922 -5.651 3.164 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.339 -3.825 4.696 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.219 -3.326 2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.913 -2.700 1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.217 -3.635 2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.188 -1.066 2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.072 -1.341 3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.295 -1.435 3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.418 -4.976 0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.465 -5.626 1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.171 -4.677 0.557 1.00 0.00 H new ATOM 589 N THR A 42 -4.031 -3.337 6.396 1.00 0.00 N ATOM 590 CA THR A 42 -4.906 -2.823 7.413 1.00 0.00 C ATOM 591 C THR A 42 -4.666 -1.326 7.546 1.00 0.00 C ATOM 592 O THR A 42 -3.820 -0.771 6.832 1.00 0.00 O ATOM 593 CB THR A 42 -4.565 -3.486 8.757 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.161 -3.292 9.020 1.00 0.00 O ATOM 595 CG2 THR A 42 -4.882 -4.973 8.730 1.00 0.00 C ATOM 0 H THR A 42 -3.092 -3.553 6.731 1.00 0.00 H new ATOM 0 HA THR A 42 -5.943 -3.027 7.147 1.00 0.00 H new ATOM 0 HB THR A 42 -5.167 -3.030 9.543 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.928 -3.708 9.876 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.631 -5.416 9.694 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.944 -5.115 8.531 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.298 -5.455 7.946 1.00 0.00 H new ATOM 603 N ALA A 43 -5.363 -0.684 8.472 1.00 0.00 N ATOM 604 CA ALA A 43 -5.211 0.751 8.712 1.00 0.00 C ATOM 605 C ALA A 43 -3.785 1.073 9.131 1.00 0.00 C ATOM 606 O ALA A 43 -3.252 2.147 8.811 1.00 0.00 O ATOM 607 CB ALA A 43 -6.196 1.229 9.767 1.00 0.00 C ATOM 0 H ALA A 43 -6.048 -1.137 9.078 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.426 1.277 7.782 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.065 2.299 9.929 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.214 1.035 9.429 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.016 0.696 10.701 1.00 0.00 H new ATOM 613 N GLY A 44 -3.167 0.128 9.823 1.00 0.00 N ATOM 614 CA GLY A 44 -1.799 0.277 10.229 1.00 0.00 C ATOM 615 C GLY A 44 -0.880 0.260 9.041 1.00 0.00 C ATOM 616 O GLY A 44 0.054 1.061 8.954 1.00 0.00 O ATOM 0 H GLY A 44 -3.602 -0.749 10.110 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.678 1.213 10.774 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.529 -0.527 10.913 1.00 0.00 H new ATOM 620 N ILE A 45 -1.177 -0.608 8.087 1.00 0.00 N ATOM 621 CA ILE A 45 -0.365 -0.718 6.901 1.00 0.00 C ATOM 622 C ILE A 45 -0.568 0.517 6.025 1.00 0.00 C ATOM 623 O ILE A 45 0.389 1.055 5.497 1.00 0.00 O ATOM 624 CB ILE A 45 -0.664 -2.023 6.106 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.447 -3.263 6.996 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.201 -2.117 4.846 1.00 0.00 C ATOM 627 CD1 ILE A 45 0.962 -3.406 7.551 1.00 0.00 C ATOM 0 H ILE A 45 -1.975 -1.243 8.117 1.00 0.00 H new ATOM 0 HA ILE A 45 0.679 -0.773 7.208 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.709 -1.991 5.798 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.149 -3.223 7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.688 -4.155 6.418 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.031 -3.039 4.313 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.003 -1.263 4.200 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.254 -2.116 5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.022 -4.305 8.164 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.672 -3.481 6.727 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.203 -2.535 8.160 1.00 0.00 H new ATOM 639 N VAL A 46 -1.818 0.984 5.930 1.00 0.00 N ATOM 640 CA VAL A 46 -2.152 2.196 5.165 1.00 0.00 C ATOM 641 C VAL A 46 -1.348 3.399 5.687 1.00 0.00 C ATOM 642 O VAL A 46 -0.682 4.098 4.912 1.00 0.00 O ATOM 643 CB VAL A 46 -3.686 2.527 5.225 1.00 0.00 C ATOM 644 CG1 VAL A 46 -4.009 3.833 4.507 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.503 1.405 4.619 1.00 0.00 C ATOM 0 H VAL A 46 -2.621 0.540 6.375 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.889 2.000 4.126 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.947 2.637 6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.080 4.028 4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.463 4.651 4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.716 3.755 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.562 1.657 4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.214 1.267 3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.321 0.483 5.171 1.00 0.00 H new ATOM 655 N ALA A 47 -1.383 3.602 7.002 1.00 0.00 N ATOM 656 CA ALA A 47 -0.672 4.711 7.635 1.00 0.00 C ATOM 657 C ALA A 47 0.836 4.582 7.427 1.00 0.00 C ATOM 658 O ALA A 47 1.512 5.557 7.060 1.00 0.00 O ATOM 659 CB ALA A 47 -0.998 4.777 9.118 1.00 0.00 C ATOM 0 H ALA A 47 -1.899 3.010 7.653 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.003 5.637 7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.460 5.609 9.572 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.070 4.924 9.249 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.699 3.845 9.598 1.00 0.00 H new ATOM 665 N THR A 48 1.345 3.378 7.627 1.00 0.00 N ATOM 666 CA THR A 48 2.755 3.100 7.457 1.00 0.00 C ATOM 667 C THR A 48 3.191 3.351 6.001 1.00 0.00 C ATOM 668 O THR A 48 4.138 4.102 5.752 1.00 0.00 O ATOM 669 CB THR A 48 3.084 1.641 7.865 1.00 0.00 C ATOM 670 OG1 THR A 48 2.692 1.418 9.234 1.00 0.00 O ATOM 671 CG2 THR A 48 4.569 1.360 7.722 1.00 0.00 C ATOM 0 H THR A 48 0.791 2.570 7.911 1.00 0.00 H new ATOM 0 HA THR A 48 3.308 3.777 8.109 1.00 0.00 H new ATOM 0 HB THR A 48 2.533 0.971 7.205 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.776 1.069 9.259 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.774 0.330 8.014 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.869 1.510 6.685 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.131 2.038 8.364 1.00 0.00 H new ATOM 679 N ALA A 49 2.451 2.779 5.059 1.00 0.00 N ATOM 680 CA ALA A 49 2.762 2.881 3.644 1.00 0.00 C ATOM 681 C ALA A 49 2.776 4.328 3.176 1.00 0.00 C ATOM 682 O ALA A 49 3.706 4.750 2.487 1.00 0.00 O ATOM 683 CB ALA A 49 1.793 2.050 2.822 1.00 0.00 C ATOM 0 H ALA A 49 1.615 2.230 5.259 1.00 0.00 H new ATOM 0 HA ALA A 49 3.766 2.483 3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.043 2.140 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.863 1.005 3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.777 2.408 2.986 1.00 0.00 H new ATOM 689 N LYS A 50 1.779 5.107 3.598 1.00 0.00 N ATOM 690 CA LYS A 50 1.721 6.512 3.219 1.00 0.00 C ATOM 691 C LYS A 50 2.879 7.308 3.817 1.00 0.00 C ATOM 692 O LYS A 50 3.349 8.287 3.226 1.00 0.00 O ATOM 693 CB LYS A 50 0.388 7.167 3.573 1.00 0.00 C ATOM 694 CG LYS A 50 -0.814 6.601 2.824 1.00 0.00 C ATOM 695 CD LYS A 50 -2.048 7.479 3.011 1.00 0.00 C ATOM 696 CE LYS A 50 -2.433 7.630 4.475 1.00 0.00 C ATOM 697 NZ LYS A 50 -3.561 8.556 4.648 1.00 0.00 N ATOM 0 H LYS A 50 1.013 4.792 4.193 1.00 0.00 H new ATOM 0 HA LYS A 50 1.813 6.530 2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.217 7.058 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.457 8.235 3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.579 6.522 1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.025 5.593 3.180 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.858 8.464 2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.884 7.048 2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.697 6.655 4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.575 7.992 5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.795 8.633 5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.300 9.493 4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.387 8.198 4.128 1.00 0.00 H new ATOM 711 N SER A 51 3.361 6.882 4.958 1.00 0.00 N ATOM 712 CA SER A 51 4.470 7.552 5.583 1.00 0.00 C ATOM 713 C SER A 51 5.764 7.219 4.825 1.00 0.00 C ATOM 714 O SER A 51 6.607 8.104 4.579 1.00 0.00 O ATOM 715 CB SER A 51 4.565 7.150 7.057 1.00 0.00 C ATOM 716 OG SER A 51 3.344 7.424 7.757 1.00 0.00 O ATOM 0 H SER A 51 3.003 6.076 5.471 1.00 0.00 H new ATOM 0 HA SER A 51 4.318 8.631 5.543 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.797 6.088 7.131 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.386 7.689 7.530 1.00 0.00 H new ATOM 0 HG SER A 51 2.690 6.720 7.562 1.00 0.00 H new ATOM 722 N LEU A 52 5.885 5.965 4.405 1.00 0.00 N ATOM 723 CA LEU A 52 7.046 5.495 3.673 1.00 0.00 C ATOM 724 C LEU A 52 7.127 6.162 2.310 1.00 0.00 C ATOM 725 O LEU A 52 8.202 6.570 1.889 1.00 0.00 O ATOM 726 CB LEU A 52 7.005 3.983 3.495 1.00 0.00 C ATOM 727 CG LEU A 52 6.890 3.153 4.768 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.661 1.710 4.420 1.00 0.00 C ATOM 729 CD2 LEU A 52 8.133 3.292 5.621 1.00 0.00 C ATOM 0 H LEU A 52 5.178 5.248 4.565 1.00 0.00 H new ATOM 0 HA LEU A 52 7.930 5.758 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.161 3.738 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.909 3.677 2.968 1.00 0.00 H new ATOM 0 HG LEU A 52 6.041 3.523 5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.580 1.123 5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.739 1.616 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.497 1.342 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.025 2.690 6.523 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.001 2.949 5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.270 4.338 5.897 1.00 0.00 H new ATOM 741 N ILE A 53 5.988 6.300 1.629 1.00 0.00 N ATOM 742 CA ILE A 53 5.984 6.936 0.313 1.00 0.00 C ATOM 743 C ILE A 53 6.255 8.425 0.436 1.00 0.00 C ATOM 744 O ILE A 53 6.789 9.033 -0.477 1.00 0.00 O ATOM 745 CB ILE A 53 4.663 6.713 -0.503 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.474 7.422 0.151 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.377 5.229 -0.653 1.00 0.00 C ATOM 748 CD1 ILE A 53 2.159 7.280 -0.599 1.00 0.00 C ATOM 0 H ILE A 53 5.075 5.987 1.959 1.00 0.00 H new ATOM 0 HA ILE A 53 6.783 6.448 -0.245 1.00 0.00 H new ATOM 0 HB ILE A 53 4.806 7.147 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.345 7.031 1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.709 8.482 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.457 5.091 -1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.203 4.750 -1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.265 4.779 0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.375 7.814 -0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.264 7.699 -1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.895 6.225 -0.673 1.00 0.00 H new ATOM 760 N LYS A 54 5.913 9.004 1.583 1.00 0.00 N ATOM 761 CA LYS A 54 6.110 10.419 1.789 1.00 0.00 C ATOM 762 C LYS A 54 7.603 10.745 1.944 1.00 0.00 C ATOM 763 O LYS A 54 8.064 11.813 1.530 1.00 0.00 O ATOM 764 CB LYS A 54 5.309 10.891 3.005 1.00 0.00 C ATOM 765 CG LYS A 54 5.242 12.398 3.173 1.00 0.00 C ATOM 766 CD LYS A 54 4.411 12.776 4.381 1.00 0.00 C ATOM 767 CE LYS A 54 4.274 14.282 4.527 1.00 0.00 C ATOM 768 NZ LYS A 54 3.557 14.902 3.387 1.00 0.00 N ATOM 0 H LYS A 54 5.501 8.511 2.375 1.00 0.00 H new ATOM 0 HA LYS A 54 5.746 10.955 0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.294 10.502 2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.749 10.458 3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.249 12.800 3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.813 12.848 2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.421 12.328 4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.870 12.365 5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.742 14.507 5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.265 14.727 4.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.296 15.879 3.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.174 14.907 2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.697 14.356 3.180 1.00 0.00 H new ATOM 782 N LYS A 55 8.354 9.834 2.533 1.00 0.00 N ATOM 783 CA LYS A 55 9.792 10.052 2.709 1.00 0.00 C ATOM 784 C LYS A 55 10.643 9.294 1.701 1.00 0.00 C ATOM 785 O LYS A 55 11.357 9.897 0.903 1.00 0.00 O ATOM 786 CB LYS A 55 10.244 9.743 4.156 1.00 0.00 C ATOM 787 CG LYS A 55 9.652 8.483 4.758 1.00 0.00 C ATOM 788 CD LYS A 55 10.054 8.308 6.211 1.00 0.00 C ATOM 789 CE LYS A 55 9.409 9.339 7.134 1.00 0.00 C ATOM 790 NZ LYS A 55 7.932 9.272 7.106 1.00 0.00 N ATOM 0 H LYS A 55 8.007 8.946 2.896 1.00 0.00 H new ATOM 0 HA LYS A 55 9.955 11.113 2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.331 9.659 4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.981 10.589 4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.565 8.521 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.981 7.617 4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.776 7.307 6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.138 8.381 6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.758 9.179 8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.731 10.338 6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.569 9.214 8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.554 10.125 6.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.633 8.430 6.574 1.00 0.00 H new ATOM 804 N TYR A 56 10.510 7.997 1.695 1.00 0.00 N ATOM 805 CA TYR A 56 11.365 7.137 0.903 1.00 0.00 C ATOM 806 C TYR A 56 10.859 7.042 -0.520 1.00 0.00 C ATOM 807 O TYR A 56 11.644 7.000 -1.470 1.00 0.00 O ATOM 808 CB TYR A 56 11.438 5.748 1.546 1.00 0.00 C ATOM 809 CG TYR A 56 11.737 5.783 3.033 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.712 6.624 3.556 1.00 0.00 C ATOM 811 CD2 TYR A 56 11.047 4.967 3.907 1.00 0.00 C ATOM 812 CE1 TYR A 56 12.989 6.644 4.903 1.00 0.00 C ATOM 813 CE2 TYR A 56 11.311 4.979 5.257 1.00 0.00 C ATOM 814 CZ TYR A 56 12.287 5.815 5.755 1.00 0.00 C ATOM 815 OH TYR A 56 12.557 5.821 7.108 1.00 0.00 O ATOM 0 H TYR A 56 9.805 7.498 2.239 1.00 0.00 H new ATOM 0 HA TYR A 56 12.367 7.566 0.873 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.491 5.232 1.386 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.208 5.164 1.043 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.263 7.274 2.892 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.284 4.306 3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.751 7.304 5.292 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.756 4.336 5.924 1.00 0.00 H new ATOM 0 HH TYR A 56 11.971 5.179 7.561 1.00 0.00 H new ATOM 825 N GLY A 57 9.563 6.993 -0.671 1.00 0.00 N ATOM 826 CA GLY A 57 8.995 7.002 -1.986 1.00 0.00 C ATOM 827 C GLY A 57 8.078 5.842 -2.256 1.00 0.00 C ATOM 828 O GLY A 57 8.038 4.860 -1.493 1.00 0.00 O ATOM 0 H GLY A 57 8.889 6.947 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.443 7.931 -2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.801 6.995 -2.720 1.00 0.00 H new ATOM 832 N ALA A 58 7.354 5.952 -3.346 1.00 0.00 N ATOM 833 CA ALA A 58 6.385 4.960 -3.779 1.00 0.00 C ATOM 834 C ALA A 58 7.055 3.642 -4.170 1.00 0.00 C ATOM 835 O ALA A 58 6.483 2.566 -3.996 1.00 0.00 O ATOM 836 CB ALA A 58 5.561 5.515 -4.937 1.00 0.00 C ATOM 0 H ALA A 58 7.421 6.752 -3.975 1.00 0.00 H new ATOM 0 HA ALA A 58 5.724 4.744 -2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.836 4.768 -5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.036 6.414 -4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.221 5.761 -5.769 1.00 0.00 H new ATOM 842 N LYS A 59 8.272 3.721 -4.667 1.00 0.00 N ATOM 843 CA LYS A 59 8.985 2.530 -5.087 1.00 0.00 C ATOM 844 C LYS A 59 9.516 1.769 -3.874 1.00 0.00 C ATOM 845 O LYS A 59 9.573 0.531 -3.876 1.00 0.00 O ATOM 846 CB LYS A 59 10.106 2.864 -6.097 1.00 0.00 C ATOM 847 CG LYS A 59 10.833 1.639 -6.657 1.00 0.00 C ATOM 848 CD LYS A 59 9.850 0.673 -7.310 1.00 0.00 C ATOM 849 CE LYS A 59 10.528 -0.576 -7.836 1.00 0.00 C ATOM 850 NZ LYS A 59 11.434 -0.296 -8.966 1.00 0.00 N ATOM 0 H LYS A 59 8.787 4.593 -4.790 1.00 0.00 H new ATOM 0 HA LYS A 59 8.282 1.879 -5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.677 3.428 -6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.834 3.514 -5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.577 1.956 -7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.369 1.131 -5.855 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.087 0.390 -6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.339 1.178 -8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.092 -1.045 -7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.769 -1.291 -8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.819 -1.190 -9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.908 0.189 -9.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.214 0.311 -8.643 1.00 0.00 H new ATOM 864 N TYR A 60 9.843 2.508 -2.821 1.00 0.00 N ATOM 865 CA TYR A 60 10.312 1.908 -1.591 1.00 0.00 C ATOM 866 C TYR A 60 9.198 1.099 -1.000 1.00 0.00 C ATOM 867 O TYR A 60 9.378 -0.057 -0.625 1.00 0.00 O ATOM 868 CB TYR A 60 10.763 2.991 -0.581 1.00 0.00 C ATOM 869 CG TYR A 60 11.092 2.449 0.813 1.00 0.00 C ATOM 870 CD1 TYR A 60 10.086 2.250 1.750 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.387 2.124 1.174 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.350 1.742 2.996 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.669 1.610 2.435 1.00 0.00 C ATOM 874 CZ TYR A 60 11.639 1.418 3.340 1.00 0.00 C ATOM 875 OH TYR A 60 11.900 0.918 4.604 1.00 0.00 O ATOM 0 H TYR A 60 9.790 3.526 -2.800 1.00 0.00 H new ATOM 0 HA TYR A 60 11.171 1.273 -1.809 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.642 3.499 -0.978 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.975 3.739 -0.491 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.069 2.502 1.490 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.190 2.271 0.467 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.547 1.597 3.704 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.685 1.362 2.707 1.00 0.00 H new ATOM 0 HH TYR A 60 12.859 0.737 4.692 1.00 0.00 H new ATOM 885 N ALA A 61 8.036 1.707 -0.951 1.00 0.00 N ATOM 886 CA ALA A 61 6.901 1.083 -0.357 1.00 0.00 C ATOM 887 C ALA A 61 6.436 -0.108 -1.159 1.00 0.00 C ATOM 888 O ALA A 61 6.000 -1.072 -0.590 1.00 0.00 O ATOM 889 CB ALA A 61 5.801 2.063 -0.162 1.00 0.00 C ATOM 0 H ALA A 61 7.862 2.641 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 61 7.203 0.713 0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.945 1.564 0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.141 2.867 0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.508 2.478 -1.126 1.00 0.00 H new ATOM 895 N ALA A 62 6.561 -0.043 -2.481 1.00 0.00 N ATOM 896 CA ALA A 62 6.194 -1.169 -3.343 1.00 0.00 C ATOM 897 C ALA A 62 7.014 -2.409 -2.974 1.00 0.00 C ATOM 898 O ALA A 62 6.484 -3.533 -2.888 1.00 0.00 O ATOM 899 CB ALA A 62 6.399 -0.812 -4.810 1.00 0.00 C ATOM 0 H ALA A 62 6.912 0.774 -2.981 1.00 0.00 H new ATOM 0 HA ALA A 62 5.138 -1.391 -3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.121 -1.662 -5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.777 0.045 -5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.447 -0.564 -4.981 1.00 0.00 H new ATOM 905 N ALA A 63 8.287 -2.188 -2.706 1.00 0.00 N ATOM 906 CA ALA A 63 9.182 -3.251 -2.308 1.00 0.00 C ATOM 907 C ALA A 63 8.861 -3.699 -0.882 1.00 0.00 C ATOM 908 O ALA A 63 8.774 -4.909 -0.604 1.00 0.00 O ATOM 909 CB ALA A 63 10.624 -2.791 -2.421 1.00 0.00 C ATOM 0 H ALA A 63 8.726 -1.269 -2.759 1.00 0.00 H new ATOM 0 HA ALA A 63 9.044 -4.103 -2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.289 -3.600 -2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.837 -2.513 -3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.783 -1.929 -1.773 1.00 0.00 H new ATOM 915 N TRP A 64 8.647 -2.720 -0.002 1.00 0.00 N ATOM 916 CA TRP A 64 8.308 -2.954 1.399 1.00 0.00 C ATOM 917 C TRP A 64 7.027 -3.773 1.526 1.00 0.00 C ATOM 918 O TRP A 64 6.984 -4.769 2.270 1.00 0.00 O ATOM 919 CB TRP A 64 8.166 -1.611 2.145 1.00 0.00 C ATOM 920 CG TRP A 64 7.770 -1.736 3.588 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.606 -1.852 4.645 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.433 -1.746 4.131 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.885 -1.937 5.808 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.552 -1.872 5.519 1.00 0.00 C ATOM 925 CE3 TRP A 64 5.155 -1.661 3.575 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.444 -1.913 6.364 1.00 0.00 C ATOM 927 CZ3 TRP A 64 4.062 -1.701 4.413 1.00 0.00 C ATOM 928 CH2 TRP A 64 4.210 -1.824 5.789 1.00 0.00 C ATOM 0 H TRP A 64 8.705 -1.731 -0.247 1.00 0.00 H new ATOM 0 HA TRP A 64 9.117 -3.526 1.853 1.00 0.00 H new ATOM 0 HB2 TRP A 64 9.114 -1.076 2.087 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.424 -1.001 1.630 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.684 -1.874 4.582 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.282 -2.034 6.743 1.00 0.00 H new ATOM 0 HE3 TRP A 64 5.026 -1.566 2.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.558 -2.011 7.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 3.070 -1.635 3.992 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.331 -1.850 6.416 1.00 0.00 H new TER 939 TRP A 64