USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 365 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 10 CYS SG : rot 88:sc= 0.317 USER MOD Set 1.2: A 13 CYS SG : rot -134:sc= -0.992 USER MOD Set 1.3: A 43 CYS SG : rot 138:sc= 0.216 USER MOD Set 1.4: A 46 CYS SG : rot -76:sc= -3.84! USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= -0.0312 (180deg=-0.101) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 163:sc= 0.303 USER MOD Single : A 17 TYR OH : rot -152:sc= -1.14! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 74:sc= 1.02 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0707 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -81:sc= -3.4 USER MOD Single : A 50 LYS NZ :NH3+ -151:sc= -0.0101 (180deg=-0.372) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -2 F(o=-6.9!,f=-2) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N LYS A 7 -12.970 -14.472 8.786 1.00 0.00 N ATOM 89 CA LYS A 7 -11.936 -14.392 7.718 1.00 0.00 C ATOM 90 C LYS A 7 -10.792 -13.481 8.166 1.00 0.00 C ATOM 91 O LYS A 7 -11.011 -12.419 8.714 1.00 0.00 O ATOM 92 CB LYS A 7 -12.656 -13.792 6.510 1.00 0.00 C ATOM 93 CG LYS A 7 -13.736 -14.761 6.024 1.00 0.00 C ATOM 94 CD LYS A 7 -13.682 -14.858 4.498 1.00 0.00 C ATOM 95 CE LYS A 7 -15.102 -14.794 3.932 1.00 0.00 C ATOM 96 NZ LYS A 7 -15.246 -16.035 3.120 1.00 0.00 N ATOM 0 HA LYS A 7 -11.501 -15.365 7.489 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.105 -12.836 6.779 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.943 -13.595 5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.584 -15.745 6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.720 -14.416 6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.080 -14.045 4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.202 -15.790 4.199 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.844 -14.755 4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.244 -13.903 3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.226 -16.116 2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.600 -15.994 2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.013 -16.862 3.706 1.00 0.00 H new ATOM 110 N TYR A 8 -9.572 -13.886 7.943 1.00 0.00 N ATOM 111 CA TYR A 8 -8.422 -13.034 8.363 1.00 0.00 C ATOM 112 C TYR A 8 -7.662 -12.536 7.128 1.00 0.00 C ATOM 113 O TYR A 8 -7.244 -13.314 6.293 1.00 0.00 O ATOM 114 CB TYR A 8 -7.527 -13.946 9.207 1.00 0.00 C ATOM 115 CG TYR A 8 -8.054 -14.015 10.621 1.00 0.00 C ATOM 116 CD1 TYR A 8 -9.360 -14.458 10.856 1.00 0.00 C ATOM 117 CD2 TYR A 8 -7.241 -13.636 11.696 1.00 0.00 C ATOM 118 CE1 TYR A 8 -9.856 -14.526 12.163 1.00 0.00 C ATOM 119 CE2 TYR A 8 -7.737 -13.702 13.006 1.00 0.00 C ATOM 120 CZ TYR A 8 -9.044 -14.147 13.238 1.00 0.00 C ATOM 121 OH TYR A 8 -9.533 -14.214 14.527 1.00 0.00 O ATOM 0 H TYR A 8 -9.322 -14.765 7.491 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.744 -12.156 8.922 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.496 -14.945 8.772 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.505 -13.567 9.208 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.987 -14.748 10.026 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.233 -13.293 11.516 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.864 -14.870 12.342 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.111 -13.410 13.836 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.842 -13.917 15.155 1.00 0.00 H new ATOM 131 N GLU A 9 -7.483 -11.250 7.004 1.00 0.00 N ATOM 132 CA GLU A 9 -6.751 -10.716 5.819 1.00 0.00 C ATOM 133 C GLU A 9 -5.249 -10.657 6.109 1.00 0.00 C ATOM 134 O GLU A 9 -4.821 -10.117 7.110 1.00 0.00 O ATOM 135 CB GLU A 9 -7.314 -9.312 5.602 1.00 0.00 C ATOM 136 CG GLU A 9 -6.747 -8.729 4.300 1.00 0.00 C ATOM 137 CD GLU A 9 -5.939 -7.457 4.591 1.00 0.00 C ATOM 138 OE1 GLU A 9 -5.877 -7.057 5.741 1.00 0.00 O ATOM 139 OE2 GLU A 9 -5.393 -6.904 3.650 1.00 0.00 O ATOM 0 H GLU A 9 -7.810 -10.548 7.668 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.879 -11.344 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.402 -9.349 5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.054 -8.670 6.444 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.112 -9.467 3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.561 -8.501 3.611 1.00 0.00 H new ATOM 146 N CYS A 10 -4.444 -11.206 5.240 1.00 0.00 N ATOM 147 CA CYS A 10 -2.971 -11.180 5.469 1.00 0.00 C ATOM 148 C CYS A 10 -2.428 -9.772 5.251 1.00 0.00 C ATOM 149 O CYS A 10 -2.446 -9.256 4.150 1.00 0.00 O ATOM 150 CB CYS A 10 -2.385 -12.120 4.420 1.00 0.00 C ATOM 151 SG CYS A 10 -0.767 -12.719 4.962 1.00 0.00 S ATOM 0 H CYS A 10 -4.742 -11.671 4.382 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.715 -11.479 6.485 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.058 -12.962 4.258 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.289 -11.600 3.467 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.920 -13.793 5.678 1.00 0.00 H new ATOM 156 N GLU A 11 -1.922 -9.153 6.275 1.00 0.00 N ATOM 157 CA GLU A 11 -1.357 -7.790 6.096 1.00 0.00 C ATOM 158 C GLU A 11 -0.056 -7.876 5.287 1.00 0.00 C ATOM 159 O GLU A 11 0.471 -6.881 4.831 1.00 0.00 O ATOM 160 CB GLU A 11 -1.078 -7.289 7.512 1.00 0.00 C ATOM 161 CG GLU A 11 -2.006 -6.116 7.832 1.00 0.00 C ATOM 162 CD GLU A 11 -1.872 -5.751 9.312 1.00 0.00 C ATOM 163 OE1 GLU A 11 -2.264 -6.560 10.138 1.00 0.00 O ATOM 164 OE2 GLU A 11 -1.379 -4.672 9.594 1.00 0.00 O ATOM 0 H GLU A 11 -1.874 -9.527 7.223 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.030 -7.122 5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.232 -8.094 8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.037 -6.977 7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.753 -5.257 7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.038 -6.382 7.604 1.00 0.00 H new ATOM 171 N ALA A 12 0.472 -9.063 5.121 1.00 0.00 N ATOM 172 CA ALA A 12 1.743 -9.222 4.359 1.00 0.00 C ATOM 173 C ALA A 12 1.489 -9.323 2.848 1.00 0.00 C ATOM 174 O ALA A 12 2.209 -8.739 2.061 1.00 0.00 O ATOM 175 CB ALA A 12 2.353 -10.520 4.884 1.00 0.00 C ATOM 0 H ALA A 12 0.074 -9.930 5.483 1.00 0.00 H new ATOM 0 HA ALA A 12 2.400 -8.363 4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.296 -10.712 4.372 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.533 -10.430 5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.666 -11.346 4.700 1.00 0.00 H new ATOM 181 N CYS A 13 0.495 -10.065 2.423 1.00 0.00 N ATOM 182 CA CYS A 13 0.258 -10.185 0.952 1.00 0.00 C ATOM 183 C CYS A 13 -1.149 -9.696 0.569 1.00 0.00 C ATOM 184 O CYS A 13 -1.371 -9.243 -0.537 1.00 0.00 O ATOM 185 CB CYS A 13 0.471 -11.678 0.629 1.00 0.00 C ATOM 186 SG CYS A 13 -0.958 -12.678 1.130 1.00 0.00 S ATOM 0 H CYS A 13 -0.151 -10.583 3.019 1.00 0.00 H new ATOM 0 HA CYS A 13 0.938 -9.559 0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.644 -11.799 -0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.365 -12.038 1.139 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.546 -13.742 1.753 1.00 0.00 H new ATOM 191 N GLY A 14 -2.095 -9.771 1.464 1.00 0.00 N ATOM 192 CA GLY A 14 -3.470 -9.294 1.130 1.00 0.00 C ATOM 193 C GLY A 14 -4.390 -10.490 0.868 1.00 0.00 C ATOM 194 O GLY A 14 -5.411 -10.370 0.219 1.00 0.00 O ATOM 0 H GLY A 14 -1.978 -10.140 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.865 -8.694 1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.437 -8.651 0.251 1.00 0.00 H new ATOM 198 N TYR A 15 -4.041 -11.637 1.373 1.00 0.00 N ATOM 199 CA TYR A 15 -4.894 -12.841 1.166 1.00 0.00 C ATOM 200 C TYR A 15 -6.041 -12.837 2.181 1.00 0.00 C ATOM 201 O TYR A 15 -6.043 -12.071 3.122 1.00 0.00 O ATOM 202 CB TYR A 15 -3.950 -14.027 1.398 1.00 0.00 C ATOM 203 CG TYR A 15 -4.737 -15.315 1.505 1.00 0.00 C ATOM 204 CD1 TYR A 15 -5.226 -15.938 0.350 1.00 0.00 C ATOM 205 CD2 TYR A 15 -4.971 -15.886 2.762 1.00 0.00 C ATOM 206 CE1 TYR A 15 -5.952 -17.131 0.454 1.00 0.00 C ATOM 207 CE2 TYR A 15 -5.695 -17.080 2.865 1.00 0.00 C ATOM 208 CZ TYR A 15 -6.185 -17.703 1.711 1.00 0.00 C ATOM 209 OH TYR A 15 -6.899 -18.878 1.813 1.00 0.00 O ATOM 0 H TYR A 15 -3.197 -11.795 1.924 1.00 0.00 H new ATOM 0 HA TYR A 15 -5.350 -12.880 0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.236 -14.097 0.578 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.374 -13.869 2.310 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.043 -15.499 -0.620 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.593 -15.405 3.652 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.333 -17.610 -0.436 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.875 -17.520 3.835 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.745 -19.279 2.694 1.00 0.00 H new ATOM 219 N ILE A 16 -7.012 -13.686 1.999 1.00 0.00 N ATOM 220 CA ILE A 16 -8.154 -13.726 2.956 1.00 0.00 C ATOM 221 C ILE A 16 -8.366 -15.157 3.456 1.00 0.00 C ATOM 222 O ILE A 16 -8.924 -15.988 2.767 1.00 0.00 O ATOM 223 CB ILE A 16 -9.363 -13.245 2.146 1.00 0.00 C ATOM 224 CG1 ILE A 16 -9.213 -11.750 1.853 1.00 0.00 C ATOM 225 CG2 ILE A 16 -10.659 -13.489 2.929 1.00 0.00 C ATOM 226 CD1 ILE A 16 -9.221 -10.953 3.162 1.00 0.00 C ATOM 0 H ILE A 16 -7.066 -14.354 1.230 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.986 -13.106 3.837 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.409 -13.801 1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.283 -11.569 1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.026 -11.414 1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.510 -13.143 2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.767 -14.555 3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.623 -12.943 3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.114 -9.891 2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.162 -11.122 3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.393 -11.279 3.791 1.00 0.00 H new ATOM 238 N TYR A 17 -7.934 -15.449 4.650 1.00 0.00 N ATOM 239 CA TYR A 17 -8.125 -16.826 5.185 1.00 0.00 C ATOM 240 C TYR A 17 -9.616 -17.093 5.401 1.00 0.00 C ATOM 241 O TYR A 17 -10.330 -16.273 5.942 1.00 0.00 O ATOM 242 CB TYR A 17 -7.374 -16.859 6.522 1.00 0.00 C ATOM 243 CG TYR A 17 -7.678 -18.160 7.236 1.00 0.00 C ATOM 244 CD1 TYR A 17 -7.080 -19.351 6.809 1.00 0.00 C ATOM 245 CD2 TYR A 17 -8.576 -18.176 8.312 1.00 0.00 C ATOM 246 CE1 TYR A 17 -7.374 -20.555 7.459 1.00 0.00 C ATOM 247 CE2 TYR A 17 -8.872 -19.381 8.961 1.00 0.00 C ATOM 248 CZ TYR A 17 -8.270 -20.571 8.534 1.00 0.00 C ATOM 249 OH TYR A 17 -8.562 -21.758 9.172 1.00 0.00 O ATOM 0 H TYR A 17 -7.459 -14.798 5.276 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.752 -17.588 4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.301 -16.766 6.352 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.673 -16.013 7.141 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.391 -19.341 5.977 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.040 -17.258 8.641 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -6.909 -21.473 7.131 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.564 -19.393 9.790 1.00 0.00 H new ATOM 0 HH TYR A 17 -9.463 -21.711 9.553 1.00 0.00 H new ATOM 259 N GLU A 18 -10.085 -18.238 4.989 1.00 0.00 N ATOM 260 CA GLU A 18 -11.526 -18.566 5.177 1.00 0.00 C ATOM 261 C GLU A 18 -11.674 -19.743 6.151 1.00 0.00 C ATOM 262 O GLU A 18 -11.321 -20.858 5.824 1.00 0.00 O ATOM 263 CB GLU A 18 -12.028 -18.958 3.787 1.00 0.00 C ATOM 264 CG GLU A 18 -11.942 -17.750 2.852 1.00 0.00 C ATOM 265 CD GLU A 18 -11.466 -18.207 1.473 1.00 0.00 C ATOM 266 OE1 GLU A 18 -10.614 -19.079 1.420 1.00 0.00 O ATOM 267 OE2 GLU A 18 -11.964 -17.679 0.492 1.00 0.00 O ATOM 0 H GLU A 18 -9.532 -18.962 4.530 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.090 -17.731 5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.431 -19.780 3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.057 -19.312 3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.917 -17.269 2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.254 -17.009 3.259 1.00 0.00 H new ATOM 274 N PRO A 19 -12.192 -19.462 7.323 1.00 0.00 N ATOM 275 CA PRO A 19 -12.378 -20.529 8.338 1.00 0.00 C ATOM 276 C PRO A 19 -13.502 -21.474 7.925 1.00 0.00 C ATOM 277 O PRO A 19 -13.295 -22.652 7.711 1.00 0.00 O ATOM 278 CB PRO A 19 -12.741 -19.761 9.604 1.00 0.00 C ATOM 279 CG PRO A 19 -13.302 -18.456 9.137 1.00 0.00 C ATOM 280 CD PRO A 19 -12.652 -18.150 7.811 1.00 0.00 C ATOM 0 HA PRO A 19 -11.495 -21.155 8.467 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.470 -20.310 10.200 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.865 -19.608 10.234 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.385 -18.517 9.031 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.096 -17.666 9.860 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.358 -17.692 7.118 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.821 -17.454 7.926 1.00 0.00 H new ATOM 288 N GLU A 20 -14.689 -20.957 7.820 1.00 0.00 N ATOM 289 CA GLU A 20 -15.860 -21.799 7.424 1.00 0.00 C ATOM 290 C GLU A 20 -15.510 -22.707 6.237 1.00 0.00 C ATOM 291 O GLU A 20 -16.092 -23.758 6.058 1.00 0.00 O ATOM 292 CB GLU A 20 -16.945 -20.798 7.026 1.00 0.00 C ATOM 293 CG GLU A 20 -18.003 -20.726 8.129 1.00 0.00 C ATOM 294 CD GLU A 20 -19.069 -21.796 7.884 1.00 0.00 C ATOM 295 OE1 GLU A 20 -19.446 -21.977 6.738 1.00 0.00 O ATOM 296 OE2 GLU A 20 -19.489 -22.416 8.846 1.00 0.00 O ATOM 0 H GLU A 20 -14.907 -19.976 7.992 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.177 -22.458 8.233 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.505 -19.814 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.405 -21.100 6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -17.539 -20.877 9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.462 -19.737 8.144 1.00 0.00 H new ATOM 303 N LYS A 21 -14.566 -22.312 5.425 1.00 0.00 N ATOM 304 CA LYS A 21 -14.188 -23.159 4.258 1.00 0.00 C ATOM 305 C LYS A 21 -12.877 -23.899 4.539 1.00 0.00 C ATOM 306 O LYS A 21 -12.647 -24.982 4.039 1.00 0.00 O ATOM 307 CB LYS A 21 -14.019 -22.181 3.094 1.00 0.00 C ATOM 308 CG LYS A 21 -15.397 -21.787 2.555 1.00 0.00 C ATOM 309 CD LYS A 21 -15.262 -20.552 1.662 1.00 0.00 C ATOM 310 CE LYS A 21 -14.984 -20.990 0.223 1.00 0.00 C ATOM 311 NZ LYS A 21 -16.267 -20.761 -0.501 1.00 0.00 N ATOM 0 H LYS A 21 -14.042 -21.442 5.519 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.937 -23.920 4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.479 -21.294 3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.425 -22.639 2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.827 -22.613 1.989 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.077 -21.579 3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.176 -19.959 1.703 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.453 -19.916 2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.173 -20.410 -0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.687 -22.038 0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.158 -21.038 -1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.019 -21.331 -0.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.521 -19.754 -0.448 1.00 0.00 H new ATOM 325 N GLY A 22 -12.018 -23.328 5.337 1.00 0.00 N ATOM 326 CA GLY A 22 -10.729 -24.007 5.648 1.00 0.00 C ATOM 327 C GLY A 22 -9.683 -23.636 4.597 1.00 0.00 C ATOM 328 O GLY A 22 -10.002 -23.356 3.458 1.00 0.00 O ATOM 0 H GLY A 22 -12.152 -22.422 5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.382 -23.714 6.639 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.872 -25.087 5.667 1.00 0.00 H new ATOM 332 N ASP A 23 -8.434 -23.637 4.972 1.00 0.00 N ATOM 333 CA ASP A 23 -7.359 -23.292 4.004 1.00 0.00 C ATOM 334 C ASP A 23 -6.964 -24.539 3.213 1.00 0.00 C ATOM 335 O ASP A 23 -5.851 -25.014 3.298 1.00 0.00 O ATOM 336 CB ASP A 23 -6.193 -22.800 4.860 1.00 0.00 C ATOM 337 CG ASP A 23 -5.955 -21.314 4.586 1.00 0.00 C ATOM 338 OD1 ASP A 23 -6.917 -20.624 4.293 1.00 0.00 O ATOM 339 OD2 ASP A 23 -4.813 -20.891 4.671 1.00 0.00 O ATOM 0 H ASP A 23 -8.111 -23.863 5.913 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.670 -22.537 3.282 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.411 -22.956 5.916 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.293 -23.372 4.633 1.00 0.00 H new ATOM 344 N LYS A 24 -7.877 -25.075 2.454 1.00 0.00 N ATOM 345 CA LYS A 24 -7.575 -26.303 1.653 1.00 0.00 C ATOM 346 C LYS A 24 -6.236 -26.159 0.920 1.00 0.00 C ATOM 347 O LYS A 24 -5.573 -27.134 0.624 1.00 0.00 O ATOM 348 CB LYS A 24 -8.723 -26.408 0.648 1.00 0.00 C ATOM 349 CG LYS A 24 -9.673 -27.530 1.073 1.00 0.00 C ATOM 350 CD LYS A 24 -9.225 -28.847 0.435 1.00 0.00 C ATOM 351 CE LYS A 24 -10.232 -29.262 -0.640 1.00 0.00 C ATOM 352 NZ LYS A 24 -11.287 -30.017 0.094 1.00 0.00 N ATOM 0 H LYS A 24 -8.826 -24.716 2.350 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.492 -27.189 2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.262 -25.462 0.595 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.330 -26.608 -0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.680 -27.623 2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.692 -27.294 0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.234 -28.732 -0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.148 -29.624 1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.649 -28.392 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.762 -29.881 -1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.016 -30.336 -0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.861 -30.843 0.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.721 -29.400 0.810 1.00 0.00 H new ATOM 366 N PHE A 25 -5.832 -24.952 0.627 1.00 0.00 N ATOM 367 CA PHE A 25 -4.536 -24.751 -0.085 1.00 0.00 C ATOM 368 C PHE A 25 -3.366 -24.877 0.897 1.00 0.00 C ATOM 369 O PHE A 25 -2.238 -25.103 0.505 1.00 0.00 O ATOM 370 CB PHE A 25 -4.611 -23.333 -0.652 1.00 0.00 C ATOM 371 CG PHE A 25 -4.202 -23.350 -2.106 1.00 0.00 C ATOM 372 CD1 PHE A 25 -2.847 -23.361 -2.453 1.00 0.00 C ATOM 373 CD2 PHE A 25 -5.182 -23.353 -3.106 1.00 0.00 C ATOM 374 CE1 PHE A 25 -2.470 -23.377 -3.801 1.00 0.00 C ATOM 375 CE2 PHE A 25 -4.806 -23.369 -4.454 1.00 0.00 C ATOM 376 CZ PHE A 25 -3.449 -23.381 -4.802 1.00 0.00 C ATOM 0 H PHE A 25 -6.342 -24.097 0.849 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.375 -25.494 -0.866 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.624 -22.943 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.957 -22.669 -0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.092 -23.357 -1.681 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.228 -23.343 -2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.424 -23.386 -4.069 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.562 -23.372 -5.226 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.158 -23.393 -5.842 1.00 0.00 H new ATOM 386 N ALA A 26 -3.625 -24.732 2.168 1.00 0.00 N ATOM 387 CA ALA A 26 -2.529 -24.845 3.174 1.00 0.00 C ATOM 388 C ALA A 26 -2.615 -26.194 3.891 1.00 0.00 C ATOM 389 O ALA A 26 -1.616 -26.768 4.277 1.00 0.00 O ATOM 390 CB ALA A 26 -2.774 -23.698 4.154 1.00 0.00 C ATOM 0 H ALA A 26 -4.549 -24.540 2.554 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.539 -24.787 2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.007 -23.711 4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.734 -22.749 3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.756 -23.815 4.613 1.00 0.00 H new ATOM 396 N GLY A 27 -3.802 -26.704 4.066 1.00 0.00 N ATOM 397 CA GLY A 27 -3.954 -28.020 4.752 1.00 0.00 C ATOM 398 C GLY A 27 -4.912 -27.888 5.941 1.00 0.00 C ATOM 399 O GLY A 27 -4.773 -28.572 6.936 1.00 0.00 O ATOM 0 H GLY A 27 -4.673 -26.268 3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.334 -28.763 4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.982 -28.374 5.096 1.00 0.00 H new ATOM 403 N ILE A 28 -5.888 -27.025 5.848 1.00 0.00 N ATOM 404 CA ILE A 28 -6.849 -26.868 6.980 1.00 0.00 C ATOM 405 C ILE A 28 -8.291 -27.022 6.467 1.00 0.00 C ATOM 406 O ILE A 28 -8.701 -26.310 5.571 1.00 0.00 O ATOM 407 CB ILE A 28 -6.605 -25.452 7.511 1.00 0.00 C ATOM 408 CG1 ILE A 28 -5.223 -25.387 8.167 1.00 0.00 C ATOM 409 CG2 ILE A 28 -7.673 -25.096 8.550 1.00 0.00 C ATOM 410 CD1 ILE A 28 -4.405 -24.259 7.536 1.00 0.00 C ATOM 0 H ILE A 28 -6.062 -26.424 5.042 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.709 -27.619 7.758 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.655 -24.745 6.683 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.326 -25.219 9.239 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.706 -26.338 8.042 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.495 -24.088 8.924 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.659 -25.143 8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.626 -25.804 9.377 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.422 -24.216 8.005 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.289 -24.447 6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.920 -23.310 7.684 1.00 0.00 H new ATOM 422 N PRO A 29 -9.017 -27.950 7.046 1.00 0.00 N ATOM 423 CA PRO A 29 -10.422 -28.185 6.622 1.00 0.00 C ATOM 424 C PRO A 29 -11.322 -27.026 7.070 1.00 0.00 C ATOM 425 O PRO A 29 -10.886 -26.150 7.790 1.00 0.00 O ATOM 426 CB PRO A 29 -10.804 -29.479 7.336 1.00 0.00 C ATOM 427 CG PRO A 29 -9.899 -29.543 8.524 1.00 0.00 C ATOM 428 CD PRO A 29 -8.616 -28.857 8.134 1.00 0.00 C ATOM 0 HA PRO A 29 -10.534 -28.253 5.540 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.852 -29.470 7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -10.666 -30.344 6.687 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.354 -29.051 9.383 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.712 -30.578 8.812 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -8.185 -28.310 8.972 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.865 -29.573 7.801 1.00 0.00 H new ATOM 436 N PRO A 30 -12.556 -27.059 6.628 1.00 0.00 N ATOM 437 CA PRO A 30 -13.520 -25.991 6.993 1.00 0.00 C ATOM 438 C PRO A 30 -13.933 -26.129 8.459 1.00 0.00 C ATOM 439 O PRO A 30 -13.293 -26.809 9.237 1.00 0.00 O ATOM 440 CB PRO A 30 -14.709 -26.249 6.074 1.00 0.00 C ATOM 441 CG PRO A 30 -14.627 -27.703 5.743 1.00 0.00 C ATOM 442 CD PRO A 30 -13.167 -28.075 5.757 1.00 0.00 C ATOM 0 HA PRO A 30 -13.110 -24.988 6.880 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.650 -26.008 6.568 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.655 -25.635 5.175 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.183 -28.296 6.469 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.066 -27.902 4.765 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.014 -29.081 6.147 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.739 -28.053 4.755 1.00 0.00 H new ATOM 450 N GLY A 31 -15.003 -25.490 8.837 1.00 0.00 N ATOM 451 CA GLY A 31 -15.477 -25.575 10.251 1.00 0.00 C ATOM 452 C GLY A 31 -14.318 -25.291 11.211 1.00 0.00 C ATOM 453 O GLY A 31 -14.307 -25.745 12.337 1.00 0.00 O ATOM 0 H GLY A 31 -15.575 -24.908 8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.281 -24.858 10.417 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.887 -26.566 10.447 1.00 0.00 H new ATOM 457 N THR A 32 -13.340 -24.544 10.774 1.00 0.00 N ATOM 458 CA THR A 32 -12.183 -24.238 11.665 1.00 0.00 C ATOM 459 C THR A 32 -11.861 -22.735 11.624 1.00 0.00 C ATOM 460 O THR A 32 -11.521 -22.211 10.582 1.00 0.00 O ATOM 461 CB THR A 32 -11.024 -25.049 11.087 1.00 0.00 C ATOM 462 OG1 THR A 32 -11.317 -26.434 11.198 1.00 0.00 O ATOM 463 CG2 THR A 32 -9.742 -24.732 11.858 1.00 0.00 C ATOM 0 H THR A 32 -13.292 -24.133 9.842 1.00 0.00 H new ATOM 0 HA THR A 32 -12.383 -24.489 12.707 1.00 0.00 H new ATOM 0 HB THR A 32 -10.886 -24.790 10.037 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.997 -26.679 10.536 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.916 -25.311 11.445 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.519 -23.669 11.771 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.876 -24.990 12.909 1.00 0.00 H new ATOM 471 N PRO A 33 -11.979 -22.084 12.757 1.00 0.00 N ATOM 472 CA PRO A 33 -11.694 -20.629 12.822 1.00 0.00 C ATOM 473 C PRO A 33 -10.185 -20.368 12.763 1.00 0.00 C ATOM 474 O PRO A 33 -9.384 -21.185 13.171 1.00 0.00 O ATOM 475 CB PRO A 33 -12.261 -20.210 14.173 1.00 0.00 C ATOM 476 CG PRO A 33 -12.249 -21.453 15.006 1.00 0.00 C ATOM 477 CD PRO A 33 -12.383 -22.624 14.065 1.00 0.00 C ATOM 0 HA PRO A 33 -12.129 -20.075 11.990 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.656 -19.425 14.628 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.271 -19.814 14.070 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.324 -21.523 15.578 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.068 -21.442 15.725 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.744 -23.454 14.368 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.405 -23.001 14.042 1.00 0.00 H new ATOM 485 N PHE A 34 -9.796 -19.230 12.255 1.00 0.00 N ATOM 486 CA PHE A 34 -8.343 -18.903 12.166 1.00 0.00 C ATOM 487 C PHE A 34 -7.692 -19.011 13.552 1.00 0.00 C ATOM 488 O PHE A 34 -6.502 -19.220 13.673 1.00 0.00 O ATOM 489 CB PHE A 34 -8.307 -17.460 11.640 1.00 0.00 C ATOM 490 CG PHE A 34 -6.924 -16.867 11.806 1.00 0.00 C ATOM 491 CD1 PHE A 34 -6.533 -16.348 13.046 1.00 0.00 C ATOM 492 CD2 PHE A 34 -6.040 -16.832 10.722 1.00 0.00 C ATOM 493 CE1 PHE A 34 -5.259 -15.794 13.201 1.00 0.00 C ATOM 494 CE2 PHE A 34 -4.764 -16.278 10.878 1.00 0.00 C ATOM 495 CZ PHE A 34 -4.373 -15.759 12.117 1.00 0.00 C ATOM 0 H PHE A 34 -10.424 -18.510 11.897 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.792 -19.583 11.517 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.592 -17.443 10.588 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.036 -16.853 12.177 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.215 -16.376 13.883 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.342 -17.232 9.765 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.958 -15.393 14.157 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.081 -16.251 10.042 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.388 -15.332 12.237 1.00 0.00 H new ATOM 505 N VAL A 35 -8.462 -18.866 14.595 1.00 0.00 N ATOM 506 CA VAL A 35 -7.881 -18.958 15.966 1.00 0.00 C ATOM 507 C VAL A 35 -7.488 -20.403 16.287 1.00 0.00 C ATOM 508 O VAL A 35 -6.728 -20.659 17.200 1.00 0.00 O ATOM 509 CB VAL A 35 -8.997 -18.484 16.898 1.00 0.00 C ATOM 510 CG1 VAL A 35 -9.323 -17.020 16.600 1.00 0.00 C ATOM 511 CG2 VAL A 35 -10.246 -19.341 16.677 1.00 0.00 C ATOM 0 H VAL A 35 -9.466 -18.688 14.559 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.977 -18.358 16.071 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.670 -18.580 17.933 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.118 -16.682 17.264 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.434 -16.410 16.759 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.649 -16.923 15.565 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.041 -19.003 17.341 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.573 -19.247 15.642 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.014 -20.384 16.890 1.00 0.00 H new ATOM 521 N ASP A 36 -7.996 -21.352 15.547 1.00 0.00 N ATOM 522 CA ASP A 36 -7.648 -22.777 15.821 1.00 0.00 C ATOM 523 C ASP A 36 -6.570 -23.274 14.846 1.00 0.00 C ATOM 524 O ASP A 36 -6.195 -24.429 14.865 1.00 0.00 O ATOM 525 CB ASP A 36 -8.951 -23.548 15.614 1.00 0.00 C ATOM 526 CG ASP A 36 -9.000 -24.736 16.578 1.00 0.00 C ATOM 527 OD1 ASP A 36 -8.014 -25.448 16.662 1.00 0.00 O ATOM 528 OD2 ASP A 36 -10.025 -24.912 17.217 1.00 0.00 O ATOM 0 H ASP A 36 -8.635 -21.203 14.766 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.244 -22.910 16.824 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.805 -22.892 15.784 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.019 -23.899 14.584 1.00 0.00 H new ATOM 533 N LEU A 37 -6.067 -22.417 13.996 1.00 0.00 N ATOM 534 CA LEU A 37 -5.018 -22.858 13.031 1.00 0.00 C ATOM 535 C LEU A 37 -3.846 -23.503 13.779 1.00 0.00 C ATOM 536 O LEU A 37 -3.760 -23.442 14.989 1.00 0.00 O ATOM 537 CB LEU A 37 -4.566 -21.578 12.328 1.00 0.00 C ATOM 538 CG LEU A 37 -5.616 -21.173 11.291 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.220 -19.839 10.656 1.00 0.00 C ATOM 540 CD2 LEU A 37 -5.703 -22.249 10.207 1.00 0.00 C ATOM 0 H LEU A 37 -6.336 -21.435 13.929 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.391 -23.601 12.326 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.430 -20.778 13.056 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.602 -21.736 11.844 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.586 -21.068 11.778 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.968 -19.551 9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.159 -19.072 11.428 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.250 -19.942 10.169 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.451 -21.961 9.468 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.733 -22.354 9.720 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.987 -23.199 10.659 1.00 0.00 H new ATOM 552 N SER A 38 -2.945 -24.124 13.068 1.00 0.00 N ATOM 553 CA SER A 38 -1.781 -24.775 13.740 1.00 0.00 C ATOM 554 C SER A 38 -0.923 -23.724 14.450 1.00 0.00 C ATOM 555 O SER A 38 -1.012 -22.545 14.171 1.00 0.00 O ATOM 556 CB SER A 38 -0.986 -25.441 12.613 1.00 0.00 C ATOM 557 OG SER A 38 -1.873 -25.854 11.583 1.00 0.00 O ATOM 0 H SER A 38 -2.963 -24.210 12.052 1.00 0.00 H new ATOM 0 HA SER A 38 -2.095 -25.495 14.496 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.249 -24.745 12.214 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.437 -26.300 13.000 1.00 0.00 H new ATOM 0 HG SER A 38 -1.362 -26.278 10.862 1.00 0.00 H new ATOM 563 N ASP A 39 -0.092 -24.143 15.366 1.00 0.00 N ATOM 564 CA ASP A 39 0.770 -23.167 16.092 1.00 0.00 C ATOM 565 C ASP A 39 1.696 -22.442 15.111 1.00 0.00 C ATOM 566 O ASP A 39 2.224 -21.388 15.406 1.00 0.00 O ATOM 567 CB ASP A 39 1.585 -24.011 17.074 1.00 0.00 C ATOM 568 CG ASP A 39 1.401 -23.464 18.491 1.00 0.00 C ATOM 569 OD1 ASP A 39 0.264 -23.353 18.918 1.00 0.00 O ATOM 570 OD2 ASP A 39 2.400 -23.165 19.124 1.00 0.00 O ATOM 0 H ASP A 39 0.027 -25.118 15.643 1.00 0.00 H new ATOM 0 HA ASP A 39 0.185 -22.400 16.600 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.264 -25.052 17.030 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.640 -23.991 16.799 1.00 0.00 H new ATOM 575 N SER A 40 1.899 -22.998 13.948 1.00 0.00 N ATOM 576 CA SER A 40 2.792 -22.338 12.951 1.00 0.00 C ATOM 577 C SER A 40 2.118 -22.311 11.576 1.00 0.00 C ATOM 578 O SER A 40 2.673 -22.763 10.593 1.00 0.00 O ATOM 579 CB SER A 40 4.052 -23.202 12.917 1.00 0.00 C ATOM 580 OG SER A 40 5.122 -22.501 13.533 1.00 0.00 O ATOM 0 H SER A 40 1.486 -23.880 13.644 1.00 0.00 H new ATOM 0 HA SER A 40 3.015 -21.304 13.214 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.874 -24.144 13.435 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.309 -23.448 11.887 1.00 0.00 H new ATOM 0 HG SER A 40 5.930 -23.055 13.513 1.00 0.00 H new ATOM 586 N PHE A 41 0.927 -21.786 11.500 1.00 0.00 N ATOM 587 CA PHE A 41 0.218 -21.729 10.188 1.00 0.00 C ATOM 588 C PHE A 41 0.902 -20.710 9.266 1.00 0.00 C ATOM 589 O PHE A 41 1.137 -19.578 9.639 1.00 0.00 O ATOM 590 CB PHE A 41 -1.217 -21.297 10.538 1.00 0.00 C ATOM 591 CG PHE A 41 -1.939 -20.795 9.302 1.00 0.00 C ATOM 592 CD1 PHE A 41 -2.518 -21.704 8.408 1.00 0.00 C ATOM 593 CD2 PHE A 41 -2.025 -19.419 9.055 1.00 0.00 C ATOM 594 CE1 PHE A 41 -3.183 -21.237 7.268 1.00 0.00 C ATOM 595 CE2 PHE A 41 -2.689 -18.953 7.914 1.00 0.00 C ATOM 596 CZ PHE A 41 -3.269 -19.861 7.021 1.00 0.00 C ATOM 0 H PHE A 41 0.413 -21.394 12.289 1.00 0.00 H new ATOM 0 HA PHE A 41 0.230 -22.681 9.657 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.761 -22.138 10.967 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.192 -20.513 11.295 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.452 -22.765 8.598 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.579 -18.718 9.745 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.630 -21.938 6.579 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.754 -17.892 7.723 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.783 -19.501 6.142 1.00 0.00 H new ATOM 606 N MET A 42 1.211 -21.103 8.061 1.00 0.00 N ATOM 607 CA MET A 42 1.866 -20.155 7.113 1.00 0.00 C ATOM 608 C MET A 42 0.902 -19.821 5.973 1.00 0.00 C ATOM 609 O MET A 42 0.177 -20.669 5.491 1.00 0.00 O ATOM 610 CB MET A 42 3.100 -20.887 6.574 1.00 0.00 C ATOM 611 CG MET A 42 3.918 -21.457 7.737 1.00 0.00 C ATOM 612 SD MET A 42 5.614 -21.766 7.186 1.00 0.00 S ATOM 613 CE MET A 42 6.414 -20.496 8.196 1.00 0.00 C ATOM 0 H MET A 42 1.039 -22.038 7.691 1.00 0.00 H new ATOM 0 HA MET A 42 2.142 -19.218 7.596 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.793 -21.691 5.905 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.713 -20.202 5.988 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.917 -20.758 8.573 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.466 -22.382 8.095 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.488 -20.508 8.012 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.012 -19.517 7.935 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.224 -20.697 9.250 1.00 0.00 H new ATOM 623 N CYS A 43 0.885 -18.592 5.539 1.00 0.00 N ATOM 624 CA CYS A 43 -0.035 -18.201 4.433 1.00 0.00 C ATOM 625 C CYS A 43 0.191 -19.092 3.205 1.00 0.00 C ATOM 626 O CYS A 43 1.316 -19.299 2.798 1.00 0.00 O ATOM 627 CB CYS A 43 0.349 -16.764 4.104 1.00 0.00 C ATOM 628 SG CYS A 43 -0.902 -16.016 3.033 1.00 0.00 S ATOM 0 H CYS A 43 1.469 -17.839 5.903 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.083 -18.304 4.716 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.445 -16.186 5.023 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.321 -16.743 3.611 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.132 -14.797 3.420 1.00 0.00 H new ATOM 633 N PRO A 44 -0.886 -19.575 2.637 1.00 0.00 N ATOM 634 CA PRO A 44 -0.775 -20.428 1.431 1.00 0.00 C ATOM 635 C PRO A 44 -0.438 -19.574 0.198 1.00 0.00 C ATOM 636 O PRO A 44 -0.279 -20.087 -0.892 1.00 0.00 O ATOM 637 CB PRO A 44 -2.165 -21.042 1.294 1.00 0.00 C ATOM 638 CG PRO A 44 -3.085 -20.082 1.983 1.00 0.00 C ATOM 639 CD PRO A 44 -2.284 -19.388 3.055 1.00 0.00 C ATOM 0 HA PRO A 44 0.013 -21.177 1.511 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.439 -21.168 0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.207 -22.029 1.755 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.487 -19.358 1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.935 -20.608 2.418 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.541 -18.331 3.123 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.468 -19.825 4.036 1.00 0.00 H new ATOM 647 N ALA A 45 -0.338 -18.276 0.354 1.00 0.00 N ATOM 648 CA ALA A 45 -0.023 -17.410 -0.816 1.00 0.00 C ATOM 649 C ALA A 45 1.319 -16.695 -0.622 1.00 0.00 C ATOM 650 O ALA A 45 2.061 -16.490 -1.561 1.00 0.00 O ATOM 651 CB ALA A 45 -1.166 -16.396 -0.874 1.00 0.00 C ATOM 0 H ALA A 45 -0.461 -17.784 1.239 1.00 0.00 H new ATOM 0 HA ALA A 45 0.065 -17.987 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.009 -15.718 -1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.112 -16.921 -1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.193 -15.825 0.054 1.00 0.00 H new ATOM 657 N CYS A 46 1.637 -16.307 0.583 1.00 0.00 N ATOM 658 CA CYS A 46 2.934 -15.601 0.808 1.00 0.00 C ATOM 659 C CYS A 46 3.748 -16.285 1.930 1.00 0.00 C ATOM 660 O CYS A 46 4.695 -15.731 2.452 1.00 0.00 O ATOM 661 CB CYS A 46 2.542 -14.139 1.129 1.00 0.00 C ATOM 662 SG CYS A 46 2.263 -13.870 2.903 1.00 0.00 S ATOM 0 H CYS A 46 1.063 -16.446 1.415 1.00 0.00 H new ATOM 0 HA CYS A 46 3.593 -15.634 -0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.330 -13.470 0.782 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.638 -13.879 0.578 1.00 0.00 H new ATOM 0 HG CYS A 46 1.109 -14.364 3.240 1.00 0.00 H new ATOM 667 N ARG A 47 3.395 -17.497 2.272 1.00 0.00 N ATOM 668 CA ARG A 47 4.145 -18.256 3.326 1.00 0.00 C ATOM 669 C ARG A 47 4.442 -17.403 4.570 1.00 0.00 C ATOM 670 O ARG A 47 5.357 -17.693 5.316 1.00 0.00 O ATOM 671 CB ARG A 47 5.449 -18.676 2.645 1.00 0.00 C ATOM 672 CG ARG A 47 5.130 -19.463 1.372 1.00 0.00 C ATOM 673 CD ARG A 47 6.429 -19.972 0.742 1.00 0.00 C ATOM 674 NE ARG A 47 6.039 -20.425 -0.623 1.00 0.00 N ATOM 675 CZ ARG A 47 6.493 -19.800 -1.675 1.00 0.00 C ATOM 676 NH1 ARG A 47 7.745 -19.434 -1.726 1.00 0.00 N ATOM 677 NH2 ARG A 47 5.697 -19.539 -2.675 1.00 0.00 N ATOM 0 H ARG A 47 2.609 -18.002 1.862 1.00 0.00 H new ATOM 0 HA ARG A 47 3.559 -19.100 3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.044 -17.796 2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.045 -19.287 3.323 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.475 -20.302 1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.596 -18.829 0.665 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.182 -19.185 0.697 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.856 -20.789 1.323 1.00 0.00 H new ATOM 0 HE ARG A 47 5.416 -21.225 -0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.368 -19.637 -0.944 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.100 -18.946 -2.548 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.718 -19.823 -2.635 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.053 -19.050 -3.496 1.00 0.00 H new ATOM 691 N SER A 48 3.683 -16.370 4.819 1.00 0.00 N ATOM 692 CA SER A 48 3.943 -15.541 6.034 1.00 0.00 C ATOM 693 C SER A 48 3.444 -16.277 7.284 1.00 0.00 C ATOM 694 O SER A 48 2.571 -17.117 7.196 1.00 0.00 O ATOM 695 CB SER A 48 3.140 -14.257 5.823 1.00 0.00 C ATOM 696 OG SER A 48 2.987 -13.582 7.062 1.00 0.00 O ATOM 0 H SER A 48 2.900 -16.065 4.240 1.00 0.00 H new ATOM 0 HA SER A 48 5.005 -15.339 6.176 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.648 -13.612 5.106 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.162 -14.492 5.403 1.00 0.00 H new ATOM 0 HG SER A 48 2.252 -13.988 7.567 1.00 0.00 H new ATOM 702 N PRO A 49 4.012 -15.937 8.415 1.00 0.00 N ATOM 703 CA PRO A 49 3.603 -16.581 9.690 1.00 0.00 C ATOM 704 C PRO A 49 2.178 -16.161 10.068 1.00 0.00 C ATOM 705 O PRO A 49 1.784 -15.027 9.885 1.00 0.00 O ATOM 706 CB PRO A 49 4.620 -16.054 10.701 1.00 0.00 C ATOM 707 CG PRO A 49 5.102 -14.766 10.117 1.00 0.00 C ATOM 708 CD PRO A 49 5.072 -14.937 8.623 1.00 0.00 C ATOM 0 HA PRO A 49 3.591 -17.670 9.638 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.163 -15.899 11.678 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.441 -16.757 10.841 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.464 -13.937 10.426 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.111 -14.537 10.461 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.845 -13.999 8.116 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.032 -15.283 8.239 1.00 0.00 H new ATOM 716 N LYS A 50 1.403 -17.073 10.589 1.00 0.00 N ATOM 717 CA LYS A 50 -0.002 -16.742 10.978 1.00 0.00 C ATOM 718 C LYS A 50 -0.046 -15.466 11.818 1.00 0.00 C ATOM 719 O LYS A 50 -1.033 -14.756 11.825 1.00 0.00 O ATOM 720 CB LYS A 50 -0.470 -17.945 11.798 1.00 0.00 C ATOM 721 CG LYS A 50 -1.949 -17.786 12.151 1.00 0.00 C ATOM 722 CD LYS A 50 -2.365 -18.916 13.096 1.00 0.00 C ATOM 723 CE LYS A 50 -3.154 -18.337 14.272 1.00 0.00 C ATOM 724 NZ LYS A 50 -2.141 -17.623 15.100 1.00 0.00 N ATOM 0 H LYS A 50 1.682 -18.038 10.764 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.637 -16.560 10.111 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.318 -18.864 11.232 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.124 -18.030 12.708 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.120 -16.819 12.624 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.556 -17.811 11.246 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.973 -19.646 12.561 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.483 -19.442 13.461 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.933 -17.657 13.928 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.647 -19.124 14.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.440 -17.628 16.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.222 -18.101 15.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.053 -16.641 14.770 1.00 0.00 H new ATOM 738 N ASN A 51 1.009 -15.157 12.516 1.00 0.00 N ATOM 739 CA ASN A 51 1.006 -13.916 13.336 1.00 0.00 C ATOM 740 C ASN A 51 0.880 -12.689 12.427 1.00 0.00 C ATOM 741 O ASN A 51 0.582 -11.601 12.878 1.00 0.00 O ATOM 742 CB ASN A 51 2.347 -13.915 14.072 1.00 0.00 C ATOM 743 CG ASN A 51 2.103 -13.704 15.568 1.00 0.00 C ATOM 744 OD1 ASN A 51 2.422 -14.556 16.374 1.00 0.00 O ATOM 745 ND2 ASN A 51 1.545 -12.596 15.975 1.00 0.00 N ATOM 0 H ASN A 51 1.868 -15.706 12.554 1.00 0.00 H new ATOM 0 HA ASN A 51 0.169 -13.881 14.033 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.867 -14.859 13.906 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.989 -13.125 13.682 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.377 -12.445 16.970 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.277 -11.881 15.298 1.00 0.00 H new ATOM 752 N GLN A 52 1.089 -12.858 11.149 1.00 0.00 N ATOM 753 CA GLN A 52 0.965 -11.704 10.216 1.00 0.00 C ATOM 754 C GLN A 52 -0.479 -11.582 9.710 1.00 0.00 C ATOM 755 O GLN A 52 -0.794 -10.722 8.908 1.00 0.00 O ATOM 756 CB GLN A 52 1.912 -12.030 9.060 1.00 0.00 C ATOM 757 CG GLN A 52 2.931 -10.900 8.897 1.00 0.00 C ATOM 758 CD GLN A 52 2.202 -9.602 8.550 1.00 0.00 C ATOM 759 OE1 GLN A 52 1.279 -9.616 7.628 1.00 0.00 O flip ATOM 760 NE2 GLN A 52 2.472 -8.565 9.123 1.00 0.00 N flip ATOM 0 H GLN A 52 1.340 -13.745 10.712 1.00 0.00 H new ATOM 0 HA GLN A 52 1.213 -10.757 10.694 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.426 -12.972 9.252 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.346 -12.158 8.138 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.501 -10.774 9.818 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.645 -11.150 8.112 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.194 -8.554 9.844 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.977 -7.706 8.883 1.00 0.00 H new ATOM 769 N PHE A 53 -1.364 -12.438 10.162 1.00 0.00 N ATOM 770 CA PHE A 53 -2.776 -12.357 9.686 1.00 0.00 C ATOM 771 C PHE A 53 -3.604 -11.429 10.579 1.00 0.00 C ATOM 772 O PHE A 53 -3.377 -11.323 11.768 1.00 0.00 O ATOM 773 CB PHE A 53 -3.310 -13.784 9.774 1.00 0.00 C ATOM 774 CG PHE A 53 -2.874 -14.563 8.557 1.00 0.00 C ATOM 775 CD1 PHE A 53 -1.526 -14.894 8.385 1.00 0.00 C ATOM 776 CD2 PHE A 53 -3.820 -14.953 7.603 1.00 0.00 C ATOM 777 CE1 PHE A 53 -1.122 -15.616 7.256 1.00 0.00 C ATOM 778 CE2 PHE A 53 -3.417 -15.675 6.473 1.00 0.00 C ATOM 779 CZ PHE A 53 -2.068 -16.006 6.301 1.00 0.00 C ATOM 0 H PHE A 53 -1.170 -13.181 10.833 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.834 -11.953 8.675 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.940 -14.266 10.679 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.398 -13.773 9.841 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.797 -14.593 9.123 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.861 -14.697 7.738 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.081 -15.872 7.122 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.146 -15.976 5.735 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.756 -16.563 5.430 1.00 0.00 H new ATOM 789 N LYS A 54 -4.576 -10.772 10.008 1.00 0.00 N ATOM 790 CA LYS A 54 -5.445 -9.863 10.806 1.00 0.00 C ATOM 791 C LYS A 54 -6.912 -10.197 10.526 1.00 0.00 C ATOM 792 O LYS A 54 -7.307 -10.379 9.391 1.00 0.00 O ATOM 793 CB LYS A 54 -5.108 -8.453 10.321 1.00 0.00 C ATOM 794 CG LYS A 54 -5.563 -7.433 11.366 1.00 0.00 C ATOM 795 CD LYS A 54 -6.796 -6.689 10.848 1.00 0.00 C ATOM 796 CE LYS A 54 -6.658 -5.197 11.155 1.00 0.00 C ATOM 797 NZ LYS A 54 -6.700 -4.529 9.824 1.00 0.00 N ATOM 0 H LYS A 54 -4.807 -10.827 9.016 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.285 -9.960 11.880 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.035 -8.362 10.151 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.599 -8.257 9.368 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.796 -7.937 12.304 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.759 -6.727 11.575 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.902 -6.842 9.774 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.697 -7.086 11.316 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.467 -4.849 11.798 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.724 -4.985 11.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.611 -3.500 9.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.915 -4.876 9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.604 -4.744 9.356 1.00 0.00 H new ATOM 811 N SER A 55 -7.721 -10.298 11.542 1.00 0.00 N ATOM 812 CA SER A 55 -9.153 -10.642 11.312 1.00 0.00 C ATOM 813 C SER A 55 -9.901 -9.488 10.654 1.00 0.00 C ATOM 814 O SER A 55 -9.368 -8.418 10.436 1.00 0.00 O ATOM 815 CB SER A 55 -9.737 -10.914 12.694 1.00 0.00 C ATOM 816 OG SER A 55 -9.574 -9.768 13.515 1.00 0.00 O ATOM 0 H SER A 55 -7.456 -10.158 12.517 1.00 0.00 H new ATOM 0 HA SER A 55 -9.245 -11.500 10.645 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.794 -11.166 12.610 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.240 -11.772 13.147 1.00 0.00 H new ATOM 0 HG SER A 55 -9.952 -9.945 14.402 1.00 0.00 H new ATOM 822 N ILE A 56 -11.144 -9.711 10.352 1.00 0.00 N ATOM 823 CA ILE A 56 -11.975 -8.648 9.715 1.00 0.00 C ATOM 824 C ILE A 56 -13.457 -8.904 10.000 1.00 0.00 C ATOM 825 O ILE A 56 -14.228 -9.213 9.112 1.00 0.00 O ATOM 826 CB ILE A 56 -11.690 -8.753 8.216 1.00 0.00 C ATOM 827 CG1 ILE A 56 -12.547 -7.734 7.462 1.00 0.00 C ATOM 828 CG2 ILE A 56 -12.027 -10.162 7.727 1.00 0.00 C ATOM 829 CD1 ILE A 56 -11.716 -7.088 6.352 1.00 0.00 C ATOM 0 H ILE A 56 -11.629 -10.592 10.519 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.740 -7.655 10.099 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.635 -8.549 8.033 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -13.423 -8.224 7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -12.911 -6.970 8.149 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -11.823 -10.235 6.659 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.417 -10.889 8.263 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.082 -10.368 7.910 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -12.327 -6.362 5.815 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.854 -6.584 6.789 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -11.374 -7.857 5.659 1.00 0.00 H new