USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 950 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 19 TYR OH : rot 165:sc= -2.39! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.9) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 176:sc= -2.31! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00309 USER MOD Single : A 39 SER OG : rot -170:sc= 0.0579 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-2.1!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.241 K(o=-0.24,f=-2.5!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -141:sc= 0 (180deg=-1.91!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.29) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 11 3.317 8.597 -3.694 1.00 54.31 N ATOM 118 CA PHE A 11 2.846 7.488 -4.515 1.00 50.04 C ATOM 119 C PHE A 11 3.333 7.632 -5.954 1.00 71.13 C ATOM 120 O PHE A 11 2.569 8.000 -6.847 1.00 40.43 O ATOM 121 CB PHE A 11 1.318 7.417 -4.487 1.00 12.11 C ATOM 122 CG PHE A 11 0.765 6.925 -3.180 1.00 71.31 C ATOM 123 CD1 PHE A 11 0.867 7.697 -2.034 1.00 42.34 C ATOM 124 CD2 PHE A 11 0.142 5.690 -3.097 1.00 63.34 C ATOM 125 CE1 PHE A 11 0.360 7.246 -0.831 1.00 11.14 C ATOM 126 CE2 PHE A 11 -0.367 5.233 -1.896 1.00 54.53 C ATOM 127 CZ PHE A 11 -0.259 6.013 -0.762 1.00 12.34 C ATOM 0 HA PHE A 11 3.253 6.565 -4.102 1.00 50.04 H new ATOM 0 HB2 PHE A 11 0.912 8.407 -4.694 1.00 12.11 H new ATOM 0 HB3 PHE A 11 0.978 6.759 -5.287 1.00 12.11 H new ATOM 0 HD1 PHE A 11 1.348 8.663 -2.082 1.00 42.34 H new ATOM 0 HD2 PHE A 11 0.053 5.077 -3.982 1.00 63.34 H new ATOM 0 HE1 PHE A 11 0.447 7.857 0.055 1.00 11.14 H new ATOM 0 HE2 PHE A 11 -0.848 4.268 -1.845 1.00 54.53 H new ATOM 0 HZ PHE A 11 -0.658 5.660 0.177 1.00 12.34 H new ATOM 137 N THR A 12 4.611 7.339 -6.172 1.00 63.24 N ATOM 138 CA THR A 12 5.202 7.437 -7.501 1.00 70.41 C ATOM 139 C THR A 12 5.791 6.101 -7.941 1.00 10.13 C ATOM 140 O THR A 12 6.194 5.287 -7.110 1.00 51.44 O ATOM 141 CB THR A 12 6.304 8.511 -7.548 1.00 5.30 C ATOM 142 OG1 THR A 12 7.241 8.299 -6.486 1.00 1.01 O ATOM 143 CG2 THR A 12 5.707 9.905 -7.433 1.00 14.45 C ATOM 0 H THR A 12 5.257 7.032 -5.445 1.00 63.24 H new ATOM 0 HA THR A 12 4.400 7.720 -8.183 1.00 70.41 H new ATOM 0 HB THR A 12 6.817 8.431 -8.506 1.00 5.30 H new ATOM 0 HG1 THR A 12 7.940 8.985 -6.524 1.00 1.01 H new ATOM 0 HG21 THR A 12 6.505 10.647 -7.469 1.00 14.45 H new ATOM 0 HG22 THR A 12 5.017 10.075 -8.259 1.00 14.45 H new ATOM 0 HG23 THR A 12 5.171 9.994 -6.488 1.00 14.45 H new ATOM 151 N GLU A 13 5.838 5.883 -9.251 1.00 42.02 N ATOM 152 CA GLU A 13 6.379 4.645 -9.800 1.00 34.32 C ATOM 153 C GLU A 13 7.617 4.202 -9.026 1.00 62.13 C ATOM 154 O GLU A 13 7.795 3.017 -8.744 1.00 42.43 O ATOM 155 CB GLU A 13 6.725 4.825 -11.279 1.00 61.23 C ATOM 156 CG GLU A 13 6.695 3.530 -12.074 1.00 34.25 C ATOM 157 CD GLU A 13 7.166 3.711 -13.503 1.00 43.12 C ATOM 158 OE1 GLU A 13 8.388 3.616 -13.742 1.00 3.41 O ATOM 159 OE2 GLU A 13 6.312 3.947 -14.383 1.00 45.55 O ATOM 0 H GLU A 13 5.508 6.547 -9.952 1.00 42.02 H new ATOM 0 HA GLU A 13 5.617 3.872 -9.705 1.00 34.32 H new ATOM 0 HB2 GLU A 13 6.024 5.531 -11.724 1.00 61.23 H new ATOM 0 HB3 GLU A 13 7.718 5.268 -11.360 1.00 61.23 H new ATOM 0 HG2 GLU A 13 7.324 2.790 -11.579 1.00 34.25 H new ATOM 0 HG3 GLU A 13 5.680 3.134 -12.078 1.00 34.25 H new ATOM 166 N ALA A 14 8.471 5.163 -8.687 1.00 34.40 N ATOM 167 CA ALA A 14 9.691 4.873 -7.945 1.00 65.03 C ATOM 168 C ALA A 14 9.379 4.183 -6.622 1.00 22.31 C ATOM 169 O ALA A 14 9.902 3.106 -6.334 1.00 73.25 O ATOM 170 CB ALA A 14 10.478 6.153 -7.703 1.00 33.24 C ATOM 0 H ALA A 14 8.340 6.149 -8.915 1.00 34.40 H new ATOM 0 HA ALA A 14 10.298 4.194 -8.544 1.00 65.03 H new ATOM 0 HB1 ALA A 14 11.387 5.922 -7.148 1.00 33.24 H new ATOM 0 HB2 ALA A 14 10.742 6.604 -8.659 1.00 33.24 H new ATOM 0 HB3 ALA A 14 9.869 6.851 -7.128 1.00 33.24 H new ATOM 176 N TRP A 15 8.526 4.809 -5.820 1.00 53.54 N ATOM 177 CA TRP A 15 8.145 4.255 -4.526 1.00 73.13 C ATOM 178 C TRP A 15 7.406 2.932 -4.697 1.00 64.10 C ATOM 179 O TRP A 15 7.595 2.000 -3.915 1.00 52.34 O ATOM 180 CB TRP A 15 7.268 5.247 -3.761 1.00 51.52 C ATOM 181 CG TRP A 15 6.935 4.797 -2.371 1.00 3.32 C ATOM 182 CD1 TRP A 15 7.592 5.133 -1.222 1.00 3.04 C ATOM 183 CD2 TRP A 15 5.866 3.928 -1.984 1.00 72.55 C ATOM 184 NE1 TRP A 15 6.996 4.524 -0.144 1.00 15.21 N ATOM 185 CE2 TRP A 15 5.934 3.780 -0.585 1.00 74.12 C ATOM 186 CE3 TRP A 15 4.856 3.261 -2.684 1.00 22.22 C ATOM 187 CZ2 TRP A 15 5.031 2.992 0.124 1.00 2.25 C ATOM 188 CZ3 TRP A 15 3.962 2.479 -1.978 1.00 15.20 C ATOM 189 CH2 TRP A 15 4.053 2.351 -0.586 1.00 20.34 C ATOM 0 H TRP A 15 8.085 5.701 -6.043 1.00 53.54 H new ATOM 0 HA TRP A 15 9.055 4.071 -3.956 1.00 73.13 H new ATOM 0 HB2 TRP A 15 7.778 6.209 -3.711 1.00 51.52 H new ATOM 0 HB3 TRP A 15 6.343 5.405 -4.315 1.00 51.52 H new ATOM 0 HD1 TRP A 15 8.454 5.782 -1.168 1.00 3.04 H new ATOM 0 HE1 TRP A 15 7.296 4.612 0.827 1.00 15.21 H new ATOM 0 HE3 TRP A 15 4.776 3.355 -3.757 1.00 22.22 H new ATOM 0 HZ2 TRP A 15 5.100 2.890 1.197 1.00 2.25 H new ATOM 0 HZ3 TRP A 15 3.179 1.957 -2.509 1.00 15.20 H new ATOM 0 HH2 TRP A 15 3.337 1.734 -0.063 1.00 20.34 H new ATOM 200 N ALA A 16 6.566 2.856 -5.724 1.00 11.43 N ATOM 201 CA ALA A 16 5.801 1.646 -5.998 1.00 3.14 C ATOM 202 C ALA A 16 6.724 0.474 -6.313 1.00 72.51 C ATOM 203 O ALA A 16 6.632 -0.584 -5.691 1.00 72.30 O ATOM 204 CB ALA A 16 4.833 1.882 -7.147 1.00 52.40 C ATOM 0 H ALA A 16 6.398 3.619 -6.380 1.00 11.43 H new ATOM 0 HA ALA A 16 5.231 1.396 -5.104 1.00 3.14 H new ATOM 0 HB1 ALA A 16 4.269 0.970 -7.340 1.00 52.40 H new ATOM 0 HB2 ALA A 16 4.145 2.686 -6.884 1.00 52.40 H new ATOM 0 HB3 ALA A 16 5.391 2.160 -8.041 1.00 52.40 H new ATOM 210 N GLN A 17 7.611 0.669 -7.283 1.00 41.11 N ATOM 211 CA GLN A 17 8.549 -0.374 -7.681 1.00 41.13 C ATOM 212 C GLN A 17 9.539 -0.673 -6.560 1.00 41.43 C ATOM 213 O GLN A 17 9.888 -1.828 -6.319 1.00 3.41 O ATOM 214 CB GLN A 17 9.303 0.044 -8.945 1.00 75.13 C ATOM 215 CG GLN A 17 8.420 0.127 -10.180 1.00 71.02 C ATOM 216 CD GLN A 17 8.950 -0.703 -11.333 1.00 13.10 C ATOM 217 OE1 GLN A 17 10.090 -0.530 -11.765 1.00 54.23 O ATOM 218 NE2 GLN A 17 8.123 -1.611 -11.838 1.00 20.22 N ATOM 0 H GLN A 17 7.700 1.539 -7.808 1.00 41.11 H new ATOM 0 HA GLN A 17 7.979 -1.280 -7.889 1.00 41.13 H new ATOM 0 HB2 GLN A 17 9.769 1.015 -8.776 1.00 75.13 H new ATOM 0 HB3 GLN A 17 10.107 -0.668 -9.131 1.00 75.13 H new ATOM 0 HG2 GLN A 17 7.415 -0.210 -9.927 1.00 71.02 H new ATOM 0 HG3 GLN A 17 8.338 1.168 -10.494 1.00 71.02 H new ATOM 0 HE21 GLN A 17 7.187 -1.720 -11.449 1.00 20.22 H new ATOM 0 HE22 GLN A 17 8.424 -2.199 -12.615 1.00 20.22 H new ATOM 227 N ALA A 18 9.988 0.376 -5.879 1.00 10.41 N ATOM 228 CA ALA A 18 10.937 0.226 -4.782 1.00 55.14 C ATOM 229 C ALA A 18 10.321 -0.558 -3.628 1.00 3.51 C ATOM 230 O ALA A 18 10.958 -1.444 -3.058 1.00 33.12 O ATOM 231 CB ALA A 18 11.410 1.590 -4.304 1.00 3.34 C ATOM 0 H ALA A 18 9.710 1.339 -6.067 1.00 10.41 H new ATOM 0 HA ALA A 18 11.796 -0.335 -5.150 1.00 55.14 H new ATOM 0 HB1 ALA A 18 12.118 1.463 -3.485 1.00 3.34 H new ATOM 0 HB2 ALA A 18 11.896 2.115 -5.126 1.00 3.34 H new ATOM 0 HB3 ALA A 18 10.555 2.171 -3.958 1.00 3.34 H new ATOM 237 N TYR A 19 9.081 -0.225 -3.288 1.00 2.43 N ATOM 238 CA TYR A 19 8.381 -0.895 -2.199 1.00 23.44 C ATOM 239 C TYR A 19 8.040 -2.334 -2.574 1.00 62.15 C ATOM 240 O TYR A 19 7.834 -3.183 -1.707 1.00 24.24 O ATOM 241 CB TYR A 19 7.104 -0.134 -1.840 1.00 2.14 C ATOM 242 CG TYR A 19 6.211 -0.873 -0.869 1.00 72.24 C ATOM 243 CD1 TYR A 19 6.749 -1.600 0.185 1.00 23.14 C ATOM 244 CD2 TYR A 19 4.829 -0.846 -1.008 1.00 14.13 C ATOM 245 CE1 TYR A 19 5.937 -2.278 1.074 1.00 1.20 C ATOM 246 CE2 TYR A 19 4.009 -1.519 -0.123 1.00 72.31 C ATOM 247 CZ TYR A 19 4.568 -2.234 0.916 1.00 54.01 C ATOM 248 OH TYR A 19 3.754 -2.907 1.798 1.00 24.34 O ATOM 0 H TYR A 19 8.540 0.505 -3.751 1.00 2.43 H new ATOM 0 HA TYR A 19 9.042 -0.911 -1.332 1.00 23.44 H new ATOM 0 HB2 TYR A 19 7.375 0.830 -1.410 1.00 2.14 H new ATOM 0 HB3 TYR A 19 6.544 0.070 -2.753 1.00 2.14 H new ATOM 0 HD1 TYR A 19 7.821 -1.636 0.312 1.00 23.14 H new ATOM 0 HD2 TYR A 19 4.388 -0.289 -1.822 1.00 14.13 H new ATOM 0 HE1 TYR A 19 6.372 -2.839 1.888 1.00 1.20 H new ATOM 0 HE2 TYR A 19 2.936 -1.486 -0.244 1.00 72.31 H new ATOM 0 HH TYR A 19 2.832 -2.589 1.700 1.00 24.34 H new ATOM 258 N CYS A 20 7.983 -2.601 -3.875 1.00 33.11 N ATOM 259 CA CYS A 20 7.667 -3.936 -4.369 1.00 2.02 C ATOM 260 C CYS A 20 8.910 -4.821 -4.377 1.00 4.11 C ATOM 261 O CYS A 20 8.830 -6.024 -4.131 1.00 32.52 O ATOM 262 CB CYS A 20 7.076 -3.855 -5.778 1.00 3.23 C ATOM 263 SG CYS A 20 5.853 -5.153 -6.147 1.00 64.51 S ATOM 0 H CYS A 20 8.152 -1.910 -4.606 1.00 33.11 H new ATOM 0 HA CYS A 20 6.931 -4.379 -3.699 1.00 2.02 H new ATOM 0 HB2 CYS A 20 6.606 -2.880 -5.908 1.00 3.23 H new ATOM 0 HB3 CYS A 20 7.886 -3.917 -6.504 1.00 3.23 H new ATOM 268 N ARG A 21 10.059 -4.216 -4.661 1.00 51.52 N ATOM 269 CA ARG A 21 11.319 -4.948 -4.702 1.00 52.13 C ATOM 270 C ARG A 21 11.901 -5.107 -3.301 1.00 22.10 C ATOM 271 O ARG A 21 12.584 -6.089 -3.008 1.00 43.33 O ATOM 272 CB ARG A 21 12.323 -4.228 -5.605 1.00 14.24 C ATOM 273 CG ARG A 21 13.024 -3.062 -4.927 1.00 22.45 C ATOM 274 CD ARG A 21 14.165 -2.528 -5.778 1.00 2.53 C ATOM 275 NE ARG A 21 15.346 -2.215 -4.977 1.00 13.03 N ATOM 276 CZ ARG A 21 16.520 -1.880 -5.499 1.00 24.33 C ATOM 277 NH1 ARG A 21 16.670 -1.815 -6.814 1.00 45.34 N ATOM 278 NH2 ARG A 21 17.548 -1.610 -4.704 1.00 41.10 N ATOM 0 H ARG A 21 10.143 -3.220 -4.866 1.00 51.52 H new ATOM 0 HA ARG A 21 11.121 -5.940 -5.109 1.00 52.13 H new ATOM 0 HB2 ARG A 21 13.072 -4.944 -5.945 1.00 14.24 H new ATOM 0 HB3 ARG A 21 11.805 -3.864 -6.492 1.00 14.24 H new ATOM 0 HG2 ARG A 21 12.306 -2.264 -4.738 1.00 22.45 H new ATOM 0 HG3 ARG A 21 13.409 -3.381 -3.958 1.00 22.45 H new ATOM 0 HD2 ARG A 21 14.427 -3.265 -6.537 1.00 2.53 H new ATOM 0 HD3 ARG A 21 13.836 -1.632 -6.304 1.00 2.53 H new ATOM 0 HE ARG A 21 15.264 -2.256 -3.961 1.00 13.03 H new ATOM 0 HH11 ARG A 21 15.882 -2.023 -7.428 1.00 45.34 H new ATOM 0 HH12 ARG A 21 17.573 -1.557 -7.212 1.00 45.34 H new ATOM 0 HH21 ARG A 21 17.436 -1.660 -3.691 1.00 41.10 H new ATOM 0 HH22 ARG A 21 18.450 -1.353 -5.106 1.00 41.10 H new ATOM 292 N LYS A 22 11.627 -4.135 -2.438 1.00 13.11 N ATOM 293 CA LYS A 22 12.122 -4.166 -1.067 1.00 12.12 C ATOM 294 C LYS A 22 11.497 -5.320 -0.289 1.00 2.42 C ATOM 295 O LYS A 22 12.114 -5.874 0.622 1.00 64.03 O ATOM 296 CB LYS A 22 11.820 -2.840 -0.364 1.00 24.41 C ATOM 297 CG LYS A 22 12.742 -2.550 0.808 1.00 34.45 C ATOM 298 CD LYS A 22 14.012 -1.849 0.359 1.00 43.11 C ATOM 299 CE LYS A 22 14.979 -1.650 1.517 1.00 55.04 C ATOM 300 NZ LYS A 22 16.353 -1.327 1.043 1.00 52.42 N ATOM 0 H LYS A 22 11.064 -3.315 -2.664 1.00 13.11 H new ATOM 0 HA LYS A 22 13.201 -4.315 -1.100 1.00 12.12 H new ATOM 0 HB2 LYS A 22 11.899 -2.028 -1.087 1.00 24.41 H new ATOM 0 HB3 LYS A 22 10.789 -2.852 -0.010 1.00 24.41 H new ATOM 0 HG2 LYS A 22 12.221 -1.929 1.537 1.00 34.45 H new ATOM 0 HG3 LYS A 22 12.998 -3.483 1.310 1.00 34.45 H new ATOM 0 HD2 LYS A 22 14.495 -2.435 -0.423 1.00 43.11 H new ATOM 0 HD3 LYS A 22 13.760 -0.882 -0.077 1.00 43.11 H new ATOM 0 HE2 LYS A 22 14.618 -0.846 2.158 1.00 55.04 H new ATOM 0 HE3 LYS A 22 15.008 -2.554 2.125 1.00 55.04 H new ATOM 0 HZ1 LYS A 22 16.981 -1.199 1.862 1.00 52.42 H new ATOM 0 HZ2 LYS A 22 16.708 -2.106 0.452 1.00 52.42 H new ATOM 0 HZ3 LYS A 22 16.330 -0.451 0.484 1.00 52.42 H new ATOM 314 N LEU A 23 10.271 -5.678 -0.653 1.00 50.44 N ATOM 315 CA LEU A 23 9.563 -6.767 0.010 1.00 61.33 C ATOM 316 C LEU A 23 10.216 -8.110 -0.303 1.00 34.24 C ATOM 317 O LEU A 23 10.451 -8.920 0.593 1.00 72.11 O ATOM 318 CB LEU A 23 8.096 -6.787 -0.424 1.00 22.05 C ATOM 319 CG LEU A 23 7.234 -5.627 0.074 1.00 13.42 C ATOM 320 CD1 LEU A 23 5.913 -5.583 -0.678 1.00 53.50 C ATOM 321 CD2 LEU A 23 6.993 -5.745 1.572 1.00 31.30 C ATOM 0 H LEU A 23 9.746 -5.230 -1.404 1.00 50.44 H new ATOM 0 HA LEU A 23 9.615 -6.600 1.086 1.00 61.33 H new ATOM 0 HB2 LEU A 23 8.060 -6.799 -1.513 1.00 22.05 H new ATOM 0 HB3 LEU A 23 7.649 -7.720 -0.080 1.00 22.05 H new ATOM 0 HG LEU A 23 7.768 -4.696 -0.115 1.00 13.42 H new ATOM 0 HD11 LEU A 23 5.312 -4.751 -0.310 1.00 53.50 H new ATOM 0 HD12 LEU A 23 6.105 -5.449 -1.743 1.00 53.50 H new ATOM 0 HD13 LEU A 23 5.374 -6.517 -0.521 1.00 53.50 H new ATOM 0 HD21 LEU A 23 6.378 -4.911 1.908 1.00 31.30 H new ATOM 0 HD22 LEU A 23 6.480 -6.683 1.785 1.00 31.30 H new ATOM 0 HD23 LEU A 23 7.948 -5.726 2.097 1.00 31.30 H new ATOM 333 N ASN A 24 10.507 -8.338 -1.579 1.00 41.12 N ATOM 334 CA ASN A 24 11.134 -9.582 -2.010 1.00 24.23 C ATOM 335 C ASN A 24 12.357 -9.900 -1.154 1.00 13.24 C ATOM 336 O ASN A 24 12.753 -11.058 -1.027 1.00 4.41 O ATOM 337 CB ASN A 24 11.539 -9.491 -3.482 1.00 40.34 C ATOM 338 CG ASN A 24 10.426 -9.926 -4.416 1.00 22.51 C ATOM 339 OD1 ASN A 24 9.903 -11.035 -4.301 1.00 61.02 O ATOM 340 ND2 ASN A 24 10.059 -9.053 -5.347 1.00 22.43 N ATOM 0 H ASN A 24 10.319 -7.677 -2.333 1.00 41.12 H new ATOM 0 HA ASN A 24 10.408 -10.386 -1.889 1.00 24.23 H new ATOM 0 HB2 ASN A 24 11.825 -8.465 -3.715 1.00 40.34 H new ATOM 0 HB3 ASN A 24 12.417 -10.113 -3.653 1.00 40.34 H new ATOM 0 HD21 ASN A 24 9.316 -9.290 -6.004 1.00 22.43 H new ATOM 0 HD22 ASN A 24 10.520 -8.145 -5.405 1.00 22.43 H new ATOM 347 N GLU A 25 12.948 -8.863 -0.568 1.00 61.02 N ATOM 348 CA GLU A 25 14.125 -9.032 0.276 1.00 62.34 C ATOM 349 C GLU A 25 13.725 -9.427 1.694 1.00 4.45 C ATOM 350 O GLU A 25 14.424 -10.194 2.357 1.00 12.52 O ATOM 351 CB GLU A 25 14.948 -7.743 0.306 1.00 43.34 C ATOM 352 CG GLU A 25 15.172 -7.131 -1.067 1.00 72.23 C ATOM 353 CD GLU A 25 16.598 -6.659 -1.270 1.00 65.45 C ATOM 354 OE1 GLU A 25 17.504 -7.517 -1.325 1.00 63.54 O ATOM 355 OE2 GLU A 25 16.809 -5.433 -1.374 1.00 63.13 O ATOM 0 H GLU A 25 12.631 -7.898 -0.662 1.00 61.02 H new ATOM 0 HA GLU A 25 14.732 -9.832 -0.147 1.00 62.34 H new ATOM 0 HB2 GLU A 25 14.444 -7.015 0.941 1.00 43.34 H new ATOM 0 HB3 GLU A 25 15.915 -7.950 0.764 1.00 43.34 H new ATOM 0 HG2 GLU A 25 14.924 -7.866 -1.833 1.00 72.23 H new ATOM 0 HG3 GLU A 25 14.492 -6.289 -1.201 1.00 72.23 H new ATOM 362 N SER A 26 12.597 -8.896 2.154 1.00 12.31 N ATOM 363 CA SER A 26 12.105 -9.188 3.496 1.00 44.05 C ATOM 364 C SER A 26 11.673 -10.647 3.610 1.00 42.30 C ATOM 365 O SER A 26 10.481 -10.952 3.628 1.00 44.15 O ATOM 366 CB SER A 26 10.933 -8.268 3.844 1.00 64.22 C ATOM 367 OG SER A 26 10.438 -8.543 5.143 1.00 42.12 O ATOM 0 H SER A 26 12.006 -8.261 1.617 1.00 12.31 H new ATOM 0 HA SER A 26 12.917 -9.011 4.201 1.00 44.05 H new ATOM 0 HB2 SER A 26 11.253 -7.228 3.786 1.00 64.22 H new ATOM 0 HB3 SER A 26 10.135 -8.397 3.112 1.00 64.22 H new ATOM 0 HG SER A 26 9.691 -7.941 5.343 1.00 42.12 H new ATOM 373 N GLU A 27 12.652 -11.543 3.687 1.00 10.04 N ATOM 374 CA GLU A 27 12.373 -12.970 3.799 1.00 1.23 C ATOM 375 C GLU A 27 11.196 -13.222 4.737 1.00 20.31 C ATOM 376 O GLU A 27 10.228 -13.888 4.370 1.00 1.32 O ATOM 377 CB GLU A 27 13.610 -13.716 4.303 1.00 2.15 C ATOM 378 CG GLU A 27 14.163 -14.721 3.307 1.00 43.43 C ATOM 379 CD GLU A 27 15.030 -14.072 2.245 1.00 61.12 C ATOM 380 OE1 GLU A 27 14.476 -13.369 1.374 1.00 63.30 O ATOM 381 OE2 GLU A 27 16.263 -14.268 2.285 1.00 11.24 O ATOM 0 H GLU A 27 13.644 -11.306 3.674 1.00 10.04 H new ATOM 0 HA GLU A 27 12.112 -13.342 2.808 1.00 1.23 H new ATOM 0 HB2 GLU A 27 14.387 -12.991 4.545 1.00 2.15 H new ATOM 0 HB3 GLU A 27 13.359 -14.235 5.228 1.00 2.15 H new ATOM 0 HG2 GLU A 27 14.748 -15.471 3.840 1.00 43.43 H new ATOM 0 HG3 GLU A 27 13.336 -15.244 2.826 1.00 43.43 H new ATOM 388 N ALA A 28 11.288 -12.686 5.950 1.00 73.23 N ATOM 389 CA ALA A 28 10.231 -12.851 6.940 1.00 70.51 C ATOM 390 C ALA A 28 8.856 -12.639 6.316 1.00 72.41 C ATOM 391 O ALA A 28 7.959 -13.468 6.471 1.00 74.11 O ATOM 392 CB ALA A 28 10.440 -11.890 8.100 1.00 1.05 C ATOM 0 H ALA A 28 12.084 -12.134 6.270 1.00 73.23 H new ATOM 0 HA ALA A 28 10.276 -13.873 7.316 1.00 70.51 H new ATOM 0 HB1 ALA A 28 9.643 -12.024 8.832 1.00 1.05 H new ATOM 0 HB2 ALA A 28 11.402 -12.091 8.570 1.00 1.05 H new ATOM 0 HB3 ALA A 28 10.424 -10.865 7.730 1.00 1.05 H new ATOM 398 N TYR A 29 8.697 -11.525 5.611 1.00 11.21 N ATOM 399 CA TYR A 29 7.430 -11.202 4.966 1.00 35.42 C ATOM 400 C TYR A 29 7.008 -12.313 4.009 1.00 54.44 C ATOM 401 O TYR A 29 5.934 -12.897 4.153 1.00 72.22 O ATOM 402 CB TYR A 29 7.540 -9.877 4.211 1.00 41.10 C ATOM 403 CG TYR A 29 6.409 -9.639 3.236 1.00 30.22 C ATOM 404 CD1 TYR A 29 5.094 -9.923 3.585 1.00 22.10 C ATOM 405 CD2 TYR A 29 6.655 -9.132 1.966 1.00 13.35 C ATOM 406 CE1 TYR A 29 4.057 -9.708 2.698 1.00 65.24 C ATOM 407 CE2 TYR A 29 5.624 -8.912 1.073 1.00 21.22 C ATOM 408 CZ TYR A 29 4.327 -9.202 1.443 1.00 24.22 C ATOM 409 OH TYR A 29 3.298 -8.986 0.556 1.00 62.43 O ATOM 0 H TYR A 29 9.430 -10.830 5.471 1.00 11.21 H new ATOM 0 HA TYR A 29 6.670 -11.107 5.742 1.00 35.42 H new ATOM 0 HB2 TYR A 29 7.565 -9.059 4.931 1.00 41.10 H new ATOM 0 HB3 TYR A 29 8.486 -9.855 3.670 1.00 41.10 H new ATOM 0 HD1 TYR A 29 4.879 -10.319 4.567 1.00 22.10 H new ATOM 0 HD2 TYR A 29 7.669 -8.906 1.672 1.00 13.35 H new ATOM 0 HE1 TYR A 29 3.041 -9.935 2.985 1.00 65.24 H new ATOM 0 HE2 TYR A 29 5.832 -8.515 0.090 1.00 21.22 H new ATOM 0 HH TYR A 29 3.650 -8.567 -0.257 1.00 62.43 H new ATOM 419 N ARG A 30 7.861 -12.598 3.031 1.00 45.10 N ATOM 420 CA ARG A 30 7.578 -13.637 2.048 1.00 25.25 C ATOM 421 C ARG A 30 7.088 -14.911 2.730 1.00 31.05 C ATOM 422 O ARG A 30 6.106 -15.518 2.303 1.00 32.44 O ATOM 423 CB ARG A 30 8.828 -13.939 1.219 1.00 1.32 C ATOM 424 CG ARG A 30 8.535 -14.206 -0.248 1.00 65.31 C ATOM 425 CD ARG A 30 8.483 -15.697 -0.543 1.00 25.32 C ATOM 426 NE ARG A 30 9.128 -16.027 -1.811 1.00 70.31 N ATOM 427 CZ ARG A 30 9.585 -17.238 -2.110 1.00 61.20 C ATOM 428 NH1 ARG A 30 9.469 -18.229 -1.236 1.00 54.44 N ATOM 429 NH2 ARG A 30 10.160 -17.460 -3.285 1.00 73.33 N ATOM 0 H ARG A 30 8.754 -12.124 2.898 1.00 45.10 H new ATOM 0 HA ARG A 30 6.791 -13.272 1.387 1.00 25.25 H new ATOM 0 HB2 ARG A 30 9.517 -13.098 1.296 1.00 1.32 H new ATOM 0 HB3 ARG A 30 9.335 -14.806 1.643 1.00 1.32 H new ATOM 0 HG2 ARG A 30 7.585 -13.747 -0.520 1.00 65.31 H new ATOM 0 HG3 ARG A 30 9.303 -13.738 -0.865 1.00 65.31 H new ATOM 0 HD2 ARG A 30 8.970 -16.243 0.265 1.00 25.32 H new ATOM 0 HD3 ARG A 30 7.444 -16.025 -0.569 1.00 25.32 H new ATOM 0 HE ARG A 30 9.233 -15.287 -2.505 1.00 70.31 H new ATOM 0 HH11 ARG A 30 9.028 -18.062 -0.332 1.00 54.44 H new ATOM 0 HH12 ARG A 30 9.821 -19.158 -1.468 1.00 54.44 H new ATOM 0 HH21 ARG A 30 10.251 -16.700 -3.960 1.00 73.33 H new ATOM 0 HH22 ARG A 30 10.511 -18.390 -3.514 1.00 73.33 H new ATOM 443 N LYS A 31 7.779 -15.311 3.793 1.00 53.32 N ATOM 444 CA LYS A 31 7.414 -16.511 4.535 1.00 23.45 C ATOM 445 C LYS A 31 6.027 -16.369 5.152 1.00 34.55 C ATOM 446 O LYS A 31 5.270 -17.337 5.231 1.00 2.11 O ATOM 447 CB LYS A 31 8.445 -16.791 5.631 1.00 3.45 C ATOM 448 CG LYS A 31 9.826 -17.127 5.096 1.00 3.11 C ATOM 449 CD LYS A 31 10.546 -18.120 5.994 1.00 52.44 C ATOM 450 CE LYS A 31 10.794 -19.439 5.279 1.00 70.12 C ATOM 451 NZ LYS A 31 11.930 -20.191 5.880 1.00 2.43 N ATOM 0 H LYS A 31 8.595 -14.821 4.159 1.00 53.32 H new ATOM 0 HA LYS A 31 7.398 -17.348 3.837 1.00 23.45 H new ATOM 0 HB2 LYS A 31 8.519 -15.919 6.280 1.00 3.45 H new ATOM 0 HB3 LYS A 31 8.092 -17.618 6.247 1.00 3.45 H new ATOM 0 HG2 LYS A 31 9.737 -17.541 4.092 1.00 3.11 H new ATOM 0 HG3 LYS A 31 10.417 -16.215 5.013 1.00 3.11 H new ATOM 0 HD2 LYS A 31 11.496 -17.696 6.318 1.00 52.44 H new ATOM 0 HD3 LYS A 31 9.953 -18.297 6.891 1.00 52.44 H new ATOM 0 HE2 LYS A 31 9.892 -20.050 5.320 1.00 70.12 H new ATOM 0 HE3 LYS A 31 11.002 -19.248 4.226 1.00 70.12 H new ATOM 0 HZ1 LYS A 31 12.067 -21.084 5.364 1.00 2.43 H new ATOM 0 HZ2 LYS A 31 12.796 -19.619 5.818 1.00 2.43 H new ATOM 0 HZ3 LYS A 31 11.721 -20.396 6.878 1.00 2.43 H new ATOM 465 N ALA A 32 5.699 -15.157 5.587 1.00 34.24 N ATOM 466 CA ALA A 32 4.401 -14.889 6.194 1.00 54.42 C ATOM 467 C ALA A 32 3.284 -14.963 5.158 1.00 64.55 C ATOM 468 O ALA A 32 2.385 -15.797 5.260 1.00 54.32 O ATOM 469 CB ALA A 32 4.406 -13.525 6.869 1.00 33.23 C ATOM 0 H ALA A 32 6.314 -14.345 5.530 1.00 34.24 H new ATOM 0 HA ALA A 32 4.215 -15.655 6.947 1.00 54.42 H new ATOM 0 HB1 ALA A 32 3.431 -13.338 7.318 1.00 33.23 H new ATOM 0 HB2 ALA A 32 5.172 -13.505 7.644 1.00 33.23 H new ATOM 0 HB3 ALA A 32 4.619 -12.754 6.129 1.00 33.23 H new ATOM 475 N ALA A 33 3.349 -14.087 4.161 1.00 61.04 N ATOM 476 CA ALA A 33 2.344 -14.055 3.105 1.00 24.20 C ATOM 477 C ALA A 33 2.689 -15.037 1.990 1.00 54.53 C ATOM 478 O ALA A 33 2.411 -14.782 0.818 1.00 14.30 O ATOM 479 CB ALA A 33 2.209 -12.646 2.548 1.00 70.04 C ATOM 0 H ALA A 33 4.087 -13.390 4.062 1.00 61.04 H new ATOM 0 HA ALA A 33 1.389 -14.356 3.536 1.00 24.20 H new ATOM 0 HB1 ALA A 33 1.455 -12.637 1.761 1.00 70.04 H new ATOM 0 HB2 ALA A 33 1.909 -11.967 3.346 1.00 70.04 H new ATOM 0 HB3 ALA A 33 3.166 -12.324 2.138 1.00 70.04 H new ATOM 485 N SER A 34 3.296 -16.159 2.362 1.00 51.12 N ATOM 486 CA SER A 34 3.682 -17.177 1.392 1.00 43.33 C ATOM 487 C SER A 34 2.459 -17.928 0.876 1.00 32.45 C ATOM 488 O SER A 34 2.577 -18.862 0.082 1.00 42.34 O ATOM 489 CB SER A 34 4.672 -18.160 2.019 1.00 2.04 C ATOM 490 OG SER A 34 5.749 -18.431 1.139 1.00 5.45 O ATOM 0 H SER A 34 3.531 -16.386 3.328 1.00 51.12 H new ATOM 0 HA SER A 34 4.161 -16.678 0.550 1.00 43.33 H new ATOM 0 HB2 SER A 34 5.056 -17.748 2.952 1.00 2.04 H new ATOM 0 HB3 SER A 34 4.159 -19.089 2.267 1.00 2.04 H new ATOM 0 HG SER A 34 6.368 -19.061 1.564 1.00 5.45 H new ATOM 496 N THR A 35 1.281 -17.515 1.335 1.00 24.13 N ATOM 497 CA THR A 35 0.035 -18.149 0.923 1.00 3.41 C ATOM 498 C THR A 35 -0.802 -17.208 0.065 1.00 53.42 C ATOM 499 O THR A 35 -1.524 -17.646 -0.830 1.00 74.53 O ATOM 500 CB THR A 35 -0.798 -18.594 2.140 1.00 41.22 C ATOM 501 OG1 THR A 35 -0.350 -17.911 3.316 1.00 34.03 O ATOM 502 CG2 THR A 35 -0.691 -20.097 2.348 1.00 0.11 C ATOM 0 H THR A 35 1.164 -16.744 1.992 1.00 24.13 H new ATOM 0 HA THR A 35 0.305 -19.027 0.337 1.00 3.41 H new ATOM 0 HB THR A 35 -1.842 -18.343 1.950 1.00 41.22 H new ATOM 0 HG1 THR A 35 -0.886 -18.198 4.085 1.00 34.03 H new ATOM 0 HG21 THR A 35 -1.287 -20.388 3.213 1.00 0.11 H new ATOM 0 HG22 THR A 35 -1.060 -20.614 1.462 1.00 0.11 H new ATOM 0 HG23 THR A 35 0.351 -20.367 2.518 1.00 0.11 H new ATOM 510 N TRP A 36 -0.701 -15.913 0.343 1.00 64.00 N ATOM 511 CA TRP A 36 -1.449 -14.910 -0.405 1.00 53.43 C ATOM 512 C TRP A 36 -1.273 -15.107 -1.907 1.00 11.41 C ATOM 513 O TRP A 36 -0.187 -15.450 -2.373 1.00 33.11 O ATOM 514 CB TRP A 36 -0.997 -13.504 -0.006 1.00 53.14 C ATOM 515 CG TRP A 36 -1.571 -12.426 -0.876 1.00 30.30 C ATOM 516 CD1 TRP A 36 -1.169 -12.090 -2.137 1.00 72.21 C ATOM 517 CD2 TRP A 36 -2.649 -11.543 -0.547 1.00 71.35 C ATOM 518 NE1 TRP A 36 -1.932 -11.051 -2.613 1.00 35.25 N ATOM 519 CE2 TRP A 36 -2.848 -10.698 -1.657 1.00 20.12 C ATOM 520 CE3 TRP A 36 -3.467 -11.385 0.575 1.00 60.55 C ATOM 521 CZ2 TRP A 36 -3.830 -9.711 -1.673 1.00 44.14 C ATOM 522 CZ3 TRP A 36 -4.441 -10.405 0.557 1.00 64.05 C ATOM 523 CH2 TRP A 36 -4.616 -9.579 -0.561 1.00 40.53 C ATOM 0 H TRP A 36 -0.108 -15.533 1.081 1.00 64.00 H new ATOM 0 HA TRP A 36 -2.506 -15.026 -0.164 1.00 53.43 H new ATOM 0 HB2 TRP A 36 -1.285 -13.318 1.029 1.00 53.14 H new ATOM 0 HB3 TRP A 36 0.091 -13.454 -0.048 1.00 53.14 H new ATOM 0 HD1 TRP A 36 -0.369 -12.570 -2.680 1.00 72.21 H new ATOM 0 HE1 TRP A 36 -1.833 -10.614 -3.529 1.00 35.25 H new ATOM 0 HE3 TRP A 36 -3.340 -12.018 1.441 1.00 60.55 H new ATOM 0 HZ2 TRP A 36 -3.966 -9.072 -2.533 1.00 44.14 H new ATOM 0 HZ3 TRP A 36 -5.078 -10.274 1.419 1.00 64.05 H new ATOM 0 HH2 TRP A 36 -5.387 -8.823 -0.545 1.00 40.53 H new ATOM 534 N GLU A 37 -2.347 -14.887 -2.658 1.00 54.25 N ATOM 535 CA GLU A 37 -2.309 -15.041 -4.108 1.00 34.40 C ATOM 536 C GLU A 37 -3.225 -14.027 -4.788 1.00 31.45 C ATOM 537 O GLU A 37 -4.390 -14.313 -5.062 1.00 42.31 O ATOM 538 CB GLU A 37 -2.721 -16.461 -4.503 1.00 21.44 C ATOM 539 CG GLU A 37 -1.746 -17.529 -4.035 1.00 74.55 C ATOM 540 CD GLU A 37 -2.370 -18.911 -3.998 1.00 25.44 C ATOM 541 OE1 GLU A 37 -3.306 -19.161 -4.786 1.00 23.02 O ATOM 542 OE2 GLU A 37 -1.922 -19.743 -3.181 1.00 2.45 O ATOM 0 H GLU A 37 -3.253 -14.602 -2.287 1.00 54.25 H new ATOM 0 HA GLU A 37 -1.286 -14.861 -4.440 1.00 34.40 H new ATOM 0 HB2 GLU A 37 -3.706 -16.673 -4.088 1.00 21.44 H new ATOM 0 HB3 GLU A 37 -2.813 -16.515 -5.588 1.00 21.44 H new ATOM 0 HG2 GLU A 37 -0.881 -17.542 -4.698 1.00 74.55 H new ATOM 0 HG3 GLU A 37 -1.381 -17.272 -3.041 1.00 74.55 H new ATOM 549 N GLY A 38 -2.689 -12.841 -5.055 1.00 43.55 N ATOM 550 CA GLY A 38 -3.471 -11.801 -5.700 1.00 24.44 C ATOM 551 C GLY A 38 -2.705 -10.500 -5.836 1.00 70.32 C ATOM 552 O GLY A 38 -1.481 -10.476 -5.711 1.00 23.51 O ATOM 0 H GLY A 38 -1.727 -12.581 -4.837 1.00 43.55 H new ATOM 0 HA2 GLY A 38 -3.779 -12.143 -6.688 1.00 24.44 H new ATOM 0 HA3 GLY A 38 -4.380 -11.625 -5.125 1.00 24.44 H new ATOM 556 N SER A 39 -3.427 -9.415 -6.096 1.00 32.03 N ATOM 557 CA SER A 39 -2.808 -8.105 -6.255 1.00 45.32 C ATOM 558 C SER A 39 -3.526 -7.058 -5.409 1.00 42.54 C ATOM 559 O SER A 39 -4.735 -7.141 -5.191 1.00 72.44 O ATOM 560 CB SER A 39 -2.822 -7.686 -7.727 1.00 13.24 C ATOM 561 OG SER A 39 -4.048 -7.062 -8.067 1.00 74.52 O ATOM 0 H SER A 39 -4.442 -9.417 -6.201 1.00 32.03 H new ATOM 0 HA SER A 39 -1.775 -8.175 -5.914 1.00 45.32 H new ATOM 0 HB2 SER A 39 -1.996 -7.002 -7.922 1.00 13.24 H new ATOM 0 HB3 SER A 39 -2.668 -8.561 -8.359 1.00 13.24 H new ATOM 0 HG SER A 39 -4.098 -6.946 -9.039 1.00 74.52 H new ATOM 567 N LEU A 40 -2.773 -6.071 -4.935 1.00 64.33 N ATOM 568 CA LEU A 40 -3.336 -5.006 -4.113 1.00 24.12 C ATOM 569 C LEU A 40 -3.009 -3.636 -4.698 1.00 53.12 C ATOM 570 O LEU A 40 -1.910 -3.412 -5.203 1.00 41.35 O ATOM 571 CB LEU A 40 -2.801 -5.103 -2.683 1.00 15.23 C ATOM 572 CG LEU A 40 -3.430 -4.149 -1.666 1.00 25.12 C ATOM 573 CD1 LEU A 40 -4.873 -4.540 -1.388 1.00 3.11 C ATOM 574 CD2 LEU A 40 -2.621 -4.136 -0.377 1.00 1.03 C ATOM 0 H LEU A 40 -1.771 -5.986 -5.106 1.00 64.33 H new ATOM 0 HA LEU A 40 -4.419 -5.125 -4.099 1.00 24.12 H new ATOM 0 HB2 LEU A 40 -2.945 -6.124 -2.331 1.00 15.23 H new ATOM 0 HB3 LEU A 40 -1.726 -4.922 -2.705 1.00 15.23 H new ATOM 0 HG LEU A 40 -3.423 -3.143 -2.087 1.00 25.12 H new ATOM 0 HD11 LEU A 40 -5.304 -3.850 -0.662 1.00 3.11 H new ATOM 0 HD12 LEU A 40 -5.446 -4.497 -2.314 1.00 3.11 H new ATOM 0 HD13 LEU A 40 -4.905 -5.553 -0.988 1.00 3.11 H new ATOM 0 HD21 LEU A 40 -3.083 -3.452 0.335 1.00 1.03 H new ATOM 0 HD22 LEU A 40 -2.596 -5.140 0.047 1.00 1.03 H new ATOM 0 HD23 LEU A 40 -1.604 -3.807 -0.589 1.00 1.03 H new ATOM 586 N ALA A 41 -3.972 -2.722 -4.624 1.00 65.22 N ATOM 587 CA ALA A 41 -3.785 -1.373 -5.143 1.00 10.23 C ATOM 588 C ALA A 41 -4.204 -0.327 -4.115 1.00 5.02 C ATOM 589 O ALA A 41 -5.295 -0.400 -3.548 1.00 24.50 O ATOM 590 CB ALA A 41 -4.570 -1.190 -6.434 1.00 25.34 C ATOM 0 H ALA A 41 -4.889 -2.892 -4.210 1.00 65.22 H new ATOM 0 HA ALA A 41 -2.724 -1.235 -5.353 1.00 10.23 H new ATOM 0 HB1 ALA A 41 -4.421 -0.178 -6.810 1.00 25.34 H new ATOM 0 HB2 ALA A 41 -4.222 -1.908 -7.176 1.00 25.34 H new ATOM 0 HB3 ALA A 41 -5.630 -1.353 -6.241 1.00 25.34 H new ATOM 596 N LEU A 42 -3.330 0.645 -3.878 1.00 11.50 N ATOM 597 CA LEU A 42 -3.609 1.707 -2.917 1.00 22.12 C ATOM 598 C LEU A 42 -4.016 2.993 -3.629 1.00 33.12 C ATOM 599 O LEU A 42 -3.168 3.739 -4.117 1.00 53.02 O ATOM 600 CB LEU A 42 -2.382 1.963 -2.040 1.00 20.23 C ATOM 601 CG LEU A 42 -1.810 0.745 -1.314 1.00 30.42 C ATOM 602 CD1 LEU A 42 -0.530 1.113 -0.579 1.00 55.21 C ATOM 603 CD2 LEU A 42 -2.835 0.170 -0.347 1.00 73.34 C ATOM 0 H LEU A 42 -2.423 0.720 -4.338 1.00 11.50 H new ATOM 0 HA LEU A 42 -4.438 1.384 -2.287 1.00 22.12 H new ATOM 0 HB2 LEU A 42 -1.597 2.391 -2.664 1.00 20.23 H new ATOM 0 HB3 LEU A 42 -2.643 2.715 -1.296 1.00 20.23 H new ATOM 0 HG LEU A 42 -1.572 -0.017 -2.056 1.00 30.42 H new ATOM 0 HD11 LEU A 42 -0.138 0.233 -0.068 1.00 55.21 H new ATOM 0 HD12 LEU A 42 0.208 1.477 -1.294 1.00 55.21 H new ATOM 0 HD13 LEU A 42 -0.742 1.893 0.153 1.00 55.21 H new ATOM 0 HD21 LEU A 42 -2.410 -0.696 0.161 1.00 73.34 H new ATOM 0 HD22 LEU A 42 -3.104 0.927 0.390 1.00 73.34 H new ATOM 0 HD23 LEU A 42 -3.725 -0.133 -0.898 1.00 73.34 H new ATOM 615 N ALA A 43 -5.320 3.246 -3.682 1.00 2.43 N ATOM 616 CA ALA A 43 -5.839 4.444 -4.330 1.00 14.23 C ATOM 617 C ALA A 43 -5.899 5.615 -3.354 1.00 24.51 C ATOM 618 O ALA A 43 -6.074 5.424 -2.150 1.00 54.24 O ATOM 619 CB ALA A 43 -7.217 4.172 -4.915 1.00 14.12 C ATOM 0 H ALA A 43 -6.036 2.638 -3.284 1.00 2.43 H new ATOM 0 HA ALA A 43 -5.159 4.713 -5.138 1.00 14.23 H new ATOM 0 HB1 ALA A 43 -7.593 5.075 -5.396 1.00 14.12 H new ATOM 0 HB2 ALA A 43 -7.148 3.371 -5.651 1.00 14.12 H new ATOM 0 HB3 ALA A 43 -7.899 3.875 -4.118 1.00 14.12 H new ATOM 625 N VAL A 44 -5.750 6.826 -3.880 1.00 42.13 N ATOM 626 CA VAL A 44 -5.787 8.028 -3.056 1.00 23.25 C ATOM 627 C VAL A 44 -6.813 9.025 -3.583 1.00 25.24 C ATOM 628 O VAL A 44 -6.819 9.356 -4.768 1.00 42.13 O ATOM 629 CB VAL A 44 -4.407 8.710 -2.996 1.00 52.31 C ATOM 630 CG1 VAL A 44 -4.501 10.041 -2.265 1.00 23.10 C ATOM 631 CG2 VAL A 44 -3.390 7.797 -2.330 1.00 24.23 C ATOM 0 H VAL A 44 -5.602 7.001 -4.874 1.00 42.13 H new ATOM 0 HA VAL A 44 -6.073 7.715 -2.052 1.00 23.25 H new ATOM 0 HB VAL A 44 -4.073 8.905 -4.015 1.00 52.31 H new ATOM 0 HG11 VAL A 44 -3.517 10.508 -2.232 1.00 23.10 H new ATOM 0 HG12 VAL A 44 -5.197 10.696 -2.790 1.00 23.10 H new ATOM 0 HG13 VAL A 44 -4.857 9.873 -1.249 1.00 23.10 H new ATOM 0 HG21 VAL A 44 -2.421 8.295 -2.296 1.00 24.23 H new ATOM 0 HG22 VAL A 44 -3.716 7.568 -1.315 1.00 24.23 H new ATOM 0 HG23 VAL A 44 -3.303 6.872 -2.900 1.00 24.23 H new ATOM 641 N ARG A 45 -7.679 9.500 -2.694 1.00 5.24 N ATOM 642 CA ARG A 45 -8.710 10.459 -3.069 1.00 51.43 C ATOM 643 C ARG A 45 -8.107 11.635 -3.833 1.00 73.45 C ATOM 644 O ARG A 45 -7.004 12.097 -3.541 1.00 71.53 O ATOM 645 CB ARG A 45 -9.441 10.967 -1.825 1.00 55.44 C ATOM 646 CG ARG A 45 -10.394 9.949 -1.220 1.00 61.05 C ATOM 647 CD ARG A 45 -11.702 10.596 -0.791 1.00 64.52 C ATOM 648 NE ARG A 45 -12.830 10.137 -1.598 1.00 5.03 N ATOM 649 CZ ARG A 45 -13.953 10.829 -1.750 1.00 34.41 C ATOM 650 NH1 ARG A 45 -14.098 12.004 -1.154 1.00 12.11 N ATOM 651 NH2 ARG A 45 -14.935 10.345 -2.500 1.00 71.31 N ATOM 0 H ARG A 45 -7.687 9.236 -1.709 1.00 5.24 H new ATOM 0 HA ARG A 45 -9.423 9.952 -3.719 1.00 51.43 H new ATOM 0 HB2 ARG A 45 -8.705 11.255 -1.074 1.00 55.44 H new ATOM 0 HB3 ARG A 45 -10.000 11.866 -2.084 1.00 55.44 H new ATOM 0 HG2 ARG A 45 -10.597 9.162 -1.947 1.00 61.05 H new ATOM 0 HG3 ARG A 45 -9.922 9.474 -0.360 1.00 61.05 H new ATOM 0 HD2 ARG A 45 -11.891 10.370 0.258 1.00 64.52 H new ATOM 0 HD3 ARG A 45 -11.615 11.679 -0.873 1.00 64.52 H new ATOM 0 HE ARG A 45 -12.751 9.236 -2.070 1.00 5.03 H new ATOM 0 HH11 ARG A 45 -13.346 12.379 -0.577 1.00 12.11 H new ATOM 0 HH12 ARG A 45 -14.962 12.533 -1.273 1.00 12.11 H new ATOM 0 HH21 ARG A 45 -14.827 9.441 -2.960 1.00 71.31 H new ATOM 0 HH22 ARG A 45 -15.797 10.877 -2.616 1.00 71.31 H new ATOM 665 N PRO A 46 -8.847 12.130 -4.837 1.00 0.44 N ATOM 666 CA PRO A 46 -8.406 13.258 -5.663 1.00 63.33 C ATOM 667 C PRO A 46 -8.394 14.573 -4.892 1.00 24.24 C ATOM 668 O PRO A 46 -9.409 14.983 -4.329 1.00 72.32 O ATOM 669 CB PRO A 46 -9.447 13.305 -6.784 1.00 33.20 C ATOM 670 CG PRO A 46 -10.665 12.680 -6.196 1.00 12.33 C ATOM 671 CD PRO A 46 -10.171 11.629 -5.241 1.00 13.15 C ATOM 0 HA PRO A 46 -7.383 13.128 -6.017 1.00 63.33 H new ATOM 0 HB2 PRO A 46 -9.641 14.330 -7.101 1.00 33.20 H new ATOM 0 HB3 PRO A 46 -9.107 12.758 -7.663 1.00 33.20 H new ATOM 0 HG2 PRO A 46 -11.274 13.422 -5.679 1.00 12.33 H new ATOM 0 HG3 PRO A 46 -11.291 12.239 -6.972 1.00 12.33 H new ATOM 0 HD2 PRO A 46 -10.837 11.519 -4.385 1.00 13.15 H new ATOM 0 HD3 PRO A 46 -10.102 10.652 -5.719 1.00 13.15 H new ATOM 679 N ASP A 47 -7.239 15.230 -4.869 1.00 72.34 N ATOM 680 CA ASP A 47 -7.096 16.500 -4.168 1.00 23.03 C ATOM 681 C ASP A 47 -5.936 17.309 -4.740 1.00 60.01 C ATOM 682 O ASP A 47 -4.881 16.773 -5.080 1.00 72.23 O ATOM 683 CB ASP A 47 -6.877 16.260 -2.673 1.00 75.41 C ATOM 684 CG ASP A 47 -7.368 17.415 -1.823 1.00 50.21 C ATOM 685 OD1 ASP A 47 -8.577 17.721 -1.879 1.00 34.30 O ATOM 686 OD2 ASP A 47 -6.542 18.015 -1.103 1.00 34.33 O ATOM 0 H ASP A 47 -6.389 14.904 -5.328 1.00 72.34 H new ATOM 0 HA ASP A 47 -8.016 17.068 -4.307 1.00 23.03 H new ATOM 0 HB2 ASP A 47 -7.394 15.348 -2.375 1.00 75.41 H new ATOM 0 HB3 ASP A 47 -5.815 16.100 -2.485 1.00 75.41 H new ATOM 691 N PRO A 48 -6.134 18.631 -4.851 1.00 21.03 N ATOM 692 CA PRO A 48 -5.116 19.542 -5.382 1.00 50.13 C ATOM 693 C PRO A 48 -3.929 19.700 -4.438 1.00 71.31 C ATOM 694 O PRO A 48 -2.776 19.719 -4.870 1.00 74.55 O ATOM 695 CB PRO A 48 -5.867 20.869 -5.524 1.00 25.41 C ATOM 696 CG PRO A 48 -6.971 20.788 -4.527 1.00 64.51 C ATOM 697 CD PRO A 48 -7.366 19.338 -4.465 1.00 15.24 C ATOM 0 HA PRO A 48 -4.689 19.176 -6.316 1.00 50.13 H new ATOM 0 HB2 PRO A 48 -5.213 21.717 -5.323 1.00 25.41 H new ATOM 0 HB3 PRO A 48 -6.255 20.998 -6.534 1.00 25.41 H new ATOM 0 HG2 PRO A 48 -6.643 21.145 -3.551 1.00 64.51 H new ATOM 0 HG3 PRO A 48 -7.814 21.410 -4.827 1.00 64.51 H new ATOM 0 HD2 PRO A 48 -7.696 19.054 -3.466 1.00 15.24 H new ATOM 0 HD3 PRO A 48 -8.187 19.116 -5.147 1.00 15.24 H new ATOM 705 N LYS A 49 -4.218 19.812 -3.146 1.00 42.41 N ATOM 706 CA LYS A 49 -3.175 19.967 -2.139 1.00 64.31 C ATOM 707 C LYS A 49 -1.972 19.086 -2.462 1.00 31.50 C ATOM 708 O LYS A 49 -0.847 19.385 -2.065 1.00 3.34 O ATOM 709 CB LYS A 49 -3.720 19.616 -0.753 1.00 5.23 C ATOM 710 CG LYS A 49 -3.087 20.419 0.370 1.00 4.35 C ATOM 711 CD LYS A 49 -3.560 19.942 1.733 1.00 72.30 C ATOM 712 CE LYS A 49 -2.778 20.602 2.858 1.00 61.20 C ATOM 713 NZ LYS A 49 -2.317 19.611 3.869 1.00 31.52 N ATOM 0 H LYS A 49 -5.167 19.798 -2.771 1.00 42.41 H new ATOM 0 HA LYS A 49 -2.852 21.008 -2.143 1.00 64.31 H new ATOM 0 HB2 LYS A 49 -4.798 19.780 -0.743 1.00 5.23 H new ATOM 0 HB3 LYS A 49 -3.557 18.555 -0.566 1.00 5.23 H new ATOM 0 HG2 LYS A 49 -2.002 20.336 0.311 1.00 4.35 H new ATOM 0 HG3 LYS A 49 -3.333 21.474 0.247 1.00 4.35 H new ATOM 0 HD2 LYS A 49 -4.621 20.162 1.848 1.00 72.30 H new ATOM 0 HD3 LYS A 49 -3.450 18.860 1.799 1.00 72.30 H new ATOM 0 HE2 LYS A 49 -1.916 21.125 2.443 1.00 61.20 H new ATOM 0 HE3 LYS A 49 -3.403 21.352 3.343 1.00 61.20 H new ATOM 0 HZ1 LYS A 49 -1.788 20.100 4.619 1.00 31.52 H new ATOM 0 HZ2 LYS A 49 -3.140 19.130 4.284 1.00 31.52 H new ATOM 0 HZ3 LYS A 49 -1.700 18.910 3.412 1.00 31.52 H new ATOM 727 N ALA A 50 -2.218 17.999 -3.186 1.00 32.50 N ATOM 728 CA ALA A 50 -1.155 17.076 -3.565 1.00 0.30 C ATOM 729 C ALA A 50 -0.917 17.102 -5.071 1.00 20.10 C ATOM 730 O ALA A 50 0.120 16.648 -5.553 1.00 52.02 O ATOM 731 CB ALA A 50 -1.492 15.665 -3.106 1.00 4.32 C ATOM 0 H ALA A 50 -3.144 17.736 -3.522 1.00 32.50 H new ATOM 0 HA ALA A 50 -0.237 17.396 -3.073 1.00 0.30 H new ATOM 0 HB1 ALA A 50 -0.690 14.987 -3.396 1.00 4.32 H new ATOM 0 HB2 ALA A 50 -1.604 15.652 -2.022 1.00 4.32 H new ATOM 0 HB3 ALA A 50 -2.424 15.344 -3.571 1.00 4.32 H new ATOM 737 N GLY A 51 -1.885 17.636 -5.810 1.00 32.43 N ATOM 738 CA GLY A 51 -1.762 17.709 -7.254 1.00 5.43 C ATOM 739 C GLY A 51 -2.358 16.502 -7.949 1.00 61.22 C ATOM 740 O GLY A 51 -1.776 15.971 -8.896 1.00 13.31 O ATOM 0 H GLY A 51 -2.752 18.019 -5.434 1.00 32.43 H new ATOM 0 HA2 GLY A 51 -2.257 18.612 -7.612 1.00 5.43 H new ATOM 0 HA3 GLY A 51 -0.709 17.795 -7.522 1.00 5.43 H new ATOM 744 N PHE A 52 -3.521 16.064 -7.478 1.00 52.44 N ATOM 745 CA PHE A 52 -4.196 14.910 -8.060 1.00 24.43 C ATOM 746 C PHE A 52 -5.705 15.128 -8.106 1.00 32.54 C ATOM 747 O PHE A 52 -6.449 14.681 -7.232 1.00 72.13 O ATOM 748 CB PHE A 52 -3.875 13.647 -7.256 1.00 54.42 C ATOM 749 CG PHE A 52 -2.404 13.424 -7.052 1.00 72.23 C ATOM 750 CD1 PHE A 52 -1.585 13.099 -8.121 1.00 43.14 C ATOM 751 CD2 PHE A 52 -1.841 13.539 -5.792 1.00 23.22 C ATOM 752 CE1 PHE A 52 -0.231 12.892 -7.936 1.00 61.02 C ATOM 753 CE2 PHE A 52 -0.487 13.333 -5.601 1.00 12.24 C ATOM 754 CZ PHE A 52 0.319 13.010 -6.675 1.00 12.44 C ATOM 0 H PHE A 52 -4.016 16.491 -6.695 1.00 52.44 H new ATOM 0 HA PHE A 52 -3.834 14.785 -9.081 1.00 24.43 H new ATOM 0 HB2 PHE A 52 -4.363 13.711 -6.283 1.00 54.42 H new ATOM 0 HB3 PHE A 52 -4.298 12.783 -7.768 1.00 54.42 H new ATOM 0 HD1 PHE A 52 -2.009 13.006 -9.110 1.00 43.14 H new ATOM 0 HD2 PHE A 52 -2.467 13.792 -4.949 1.00 23.22 H new ATOM 0 HE1 PHE A 52 0.397 12.638 -8.777 1.00 61.02 H new ATOM 0 HE2 PHE A 52 -0.060 13.425 -4.613 1.00 12.24 H new ATOM 0 HZ PHE A 52 1.377 12.850 -6.529 1.00 12.44 H new ATOM 764 N PRO A 53 -6.169 15.832 -9.149 1.00 33.53 N ATOM 765 CA PRO A 53 -7.593 16.125 -9.335 1.00 14.44 C ATOM 766 C PRO A 53 -8.401 14.881 -9.690 1.00 5.45 C ATOM 767 O PRO A 53 -9.630 14.921 -9.745 1.00 61.03 O ATOM 768 CB PRO A 53 -7.602 17.118 -10.499 1.00 45.55 C ATOM 769 CG PRO A 53 -6.350 16.828 -11.253 1.00 43.43 C ATOM 770 CD PRO A 53 -5.340 16.394 -10.227 1.00 43.33 C ATOM 0 HA PRO A 53 -8.051 16.510 -8.424 1.00 14.44 H new ATOM 0 HB2 PRO A 53 -8.483 16.984 -11.127 1.00 45.55 H new ATOM 0 HB3 PRO A 53 -7.619 18.147 -10.141 1.00 45.55 H new ATOM 0 HG2 PRO A 53 -6.513 16.046 -11.995 1.00 43.43 H new ATOM 0 HG3 PRO A 53 -6.005 17.711 -11.791 1.00 43.43 H new ATOM 0 HD2 PRO A 53 -4.650 15.653 -10.631 1.00 43.33 H new ATOM 0 HD3 PRO A 53 -4.738 17.232 -9.876 1.00 43.33 H new ATOM 778 N LYS A 54 -7.702 13.777 -9.929 1.00 21.23 N ATOM 779 CA LYS A 54 -8.353 12.519 -10.277 1.00 1.43 C ATOM 780 C LYS A 54 -7.969 11.418 -9.294 1.00 64.44 C ATOM 781 O LYS A 54 -8.671 10.416 -9.165 1.00 24.43 O ATOM 782 CB LYS A 54 -7.975 12.103 -11.700 1.00 75.30 C ATOM 783 CG LYS A 54 -6.477 12.044 -11.939 1.00 43.24 C ATOM 784 CD LYS A 54 -6.140 12.208 -13.412 1.00 74.01 C ATOM 785 CE LYS A 54 -4.848 12.986 -13.605 1.00 63.25 C ATOM 786 NZ LYS A 54 -4.680 13.442 -15.013 1.00 60.31 N ATOM 0 H LYS A 54 -6.684 13.727 -9.888 1.00 21.23 H new ATOM 0 HA LYS A 54 -9.431 12.669 -10.223 1.00 1.43 H new ATOM 0 HB2 LYS A 54 -8.407 11.124 -11.910 1.00 75.30 H new ATOM 0 HB3 LYS A 54 -8.419 12.806 -12.405 1.00 75.30 H new ATOM 0 HG2 LYS A 54 -5.985 12.827 -11.363 1.00 43.24 H new ATOM 0 HG3 LYS A 54 -6.088 11.091 -11.580 1.00 43.24 H new ATOM 0 HD2 LYS A 54 -6.048 11.226 -13.877 1.00 74.01 H new ATOM 0 HD3 LYS A 54 -6.956 12.724 -13.918 1.00 74.01 H new ATOM 0 HE2 LYS A 54 -4.842 13.850 -12.940 1.00 63.25 H new ATOM 0 HE3 LYS A 54 -4.002 12.360 -13.323 1.00 63.25 H new ATOM 0 HZ1 LYS A 54 -3.788 13.968 -15.103 1.00 60.31 H new ATOM 0 HZ2 LYS A 54 -4.661 12.617 -15.645 1.00 60.31 H new ATOM 0 HZ3 LYS A 54 -5.474 14.060 -15.275 1.00 60.31 H new ATOM 800 N GLY A 55 -6.849 11.611 -8.603 1.00 53.00 N ATOM 801 CA GLY A 55 -6.392 10.626 -7.640 1.00 74.13 C ATOM 802 C GLY A 55 -5.345 9.694 -8.217 1.00 73.21 C ATOM 803 O GLY A 55 -5.285 9.491 -9.430 1.00 22.43 O ATOM 0 H GLY A 55 -6.250 12.432 -8.693 1.00 53.00 H new ATOM 0 HA2 GLY A 55 -5.979 11.137 -6.770 1.00 74.13 H new ATOM 0 HA3 GLY A 55 -7.243 10.041 -7.292 1.00 74.13 H new ATOM 807 N VAL A 56 -4.516 9.126 -7.346 1.00 55.35 N ATOM 808 CA VAL A 56 -3.466 8.211 -7.776 1.00 41.10 C ATOM 809 C VAL A 56 -3.745 6.791 -7.298 1.00 74.43 C ATOM 810 O VAL A 56 -4.325 6.586 -6.232 1.00 53.14 O ATOM 811 CB VAL A 56 -2.087 8.655 -7.253 1.00 63.22 C ATOM 812 CG1 VAL A 56 -1.936 8.304 -5.781 1.00 4.22 C ATOM 813 CG2 VAL A 56 -0.976 8.021 -8.077 1.00 50.22 C ATOM 0 H VAL A 56 -4.552 9.284 -6.339 1.00 55.35 H new ATOM 0 HA VAL A 56 -3.457 8.229 -8.866 1.00 41.10 H new ATOM 0 HB VAL A 56 -2.011 9.738 -7.353 1.00 63.22 H new ATOM 0 HG11 VAL A 56 -0.956 8.625 -5.429 1.00 4.22 H new ATOM 0 HG12 VAL A 56 -2.712 8.809 -5.205 1.00 4.22 H new ATOM 0 HG13 VAL A 56 -2.032 7.226 -5.652 1.00 4.22 H new ATOM 0 HG21 VAL A 56 -0.008 8.345 -7.694 1.00 50.22 H new ATOM 0 HG22 VAL A 56 -1.047 6.935 -8.010 1.00 50.22 H new ATOM 0 HG23 VAL A 56 -1.075 8.327 -9.118 1.00 50.22 H new ATOM 823 N ALA A 57 -3.328 5.812 -8.095 1.00 34.44 N ATOM 824 CA ALA A 57 -3.531 4.409 -7.752 1.00 54.50 C ATOM 825 C ALA A 57 -2.246 3.609 -7.929 1.00 45.24 C ATOM 826 O ALA A 57 -1.766 3.426 -9.048 1.00 44.33 O ATOM 827 CB ALA A 57 -4.646 3.815 -8.600 1.00 14.22 C ATOM 0 H ALA A 57 -2.848 5.964 -8.982 1.00 34.44 H new ATOM 0 HA ALA A 57 -3.819 4.355 -6.702 1.00 54.50 H new ATOM 0 HB1 ALA A 57 -4.787 2.767 -8.334 1.00 14.22 H new ATOM 0 HB2 ALA A 57 -5.571 4.363 -8.420 1.00 14.22 H new ATOM 0 HB3 ALA A 57 -4.380 3.889 -9.654 1.00 14.22 H new ATOM 833 N VAL A 58 -1.691 3.135 -6.818 1.00 72.44 N ATOM 834 CA VAL A 58 -0.461 2.353 -6.851 1.00 44.44 C ATOM 835 C VAL A 58 -0.752 0.863 -6.722 1.00 34.32 C ATOM 836 O VAL A 58 -1.330 0.416 -5.731 1.00 33.12 O ATOM 837 CB VAL A 58 0.503 2.776 -5.727 1.00 1.43 C ATOM 838 CG1 VAL A 58 1.560 1.707 -5.499 1.00 22.33 C ATOM 839 CG2 VAL A 58 1.149 4.114 -6.054 1.00 14.40 C ATOM 0 H VAL A 58 -2.074 3.279 -5.884 1.00 72.44 H new ATOM 0 HA VAL A 58 0.010 2.545 -7.815 1.00 44.44 H new ATOM 0 HB VAL A 58 -0.069 2.890 -4.806 1.00 1.43 H new ATOM 0 HG11 VAL A 58 2.232 2.024 -4.701 1.00 22.33 H new ATOM 0 HG12 VAL A 58 1.077 0.772 -5.216 1.00 22.33 H new ATOM 0 HG13 VAL A 58 2.130 1.558 -6.416 1.00 22.33 H new ATOM 0 HG21 VAL A 58 1.827 4.397 -5.249 1.00 14.40 H new ATOM 0 HG22 VAL A 58 1.708 4.030 -6.986 1.00 14.40 H new ATOM 0 HG23 VAL A 58 0.376 4.875 -6.162 1.00 14.40 H new ATOM 849 N VAL A 59 -0.348 0.096 -7.730 1.00 12.31 N ATOM 850 CA VAL A 59 -0.565 -1.346 -7.729 1.00 5.44 C ATOM 851 C VAL A 59 0.546 -2.067 -6.973 1.00 70.24 C ATOM 852 O VAL A 59 1.672 -1.576 -6.884 1.00 10.10 O ATOM 853 CB VAL A 59 -0.641 -1.903 -9.162 1.00 54.14 C ATOM 854 CG1 VAL A 59 -0.835 -3.412 -9.139 1.00 44.54 C ATOM 855 CG2 VAL A 59 -1.761 -1.225 -9.938 1.00 33.55 C ATOM 0 H VAL A 59 0.131 0.449 -8.558 1.00 12.31 H new ATOM 0 HA VAL A 59 -1.517 -1.523 -7.228 1.00 5.44 H new ATOM 0 HB VAL A 59 0.301 -1.690 -9.667 1.00 54.14 H new ATOM 0 HG11 VAL A 59 -0.886 -3.788 -10.161 1.00 44.54 H new ATOM 0 HG12 VAL A 59 0.004 -3.879 -8.622 1.00 44.54 H new ATOM 0 HG13 VAL A 59 -1.761 -3.652 -8.617 1.00 44.54 H new ATOM 0 HG21 VAL A 59 -1.801 -1.631 -10.949 1.00 33.55 H new ATOM 0 HG22 VAL A 59 -2.712 -1.406 -9.437 1.00 33.55 H new ATOM 0 HG23 VAL A 59 -1.574 -0.152 -9.985 1.00 33.55 H new ATOM 865 N LEU A 60 0.222 -3.236 -6.431 1.00 63.04 N ATOM 866 CA LEU A 60 1.193 -4.028 -5.683 1.00 51.53 C ATOM 867 C LEU A 60 0.890 -5.517 -5.804 1.00 73.53 C ATOM 868 O LEU A 60 0.411 -6.143 -4.858 1.00 4.44 O ATOM 869 CB LEU A 60 1.192 -3.613 -4.211 1.00 31.12 C ATOM 870 CG LEU A 60 1.697 -2.202 -3.910 1.00 44.44 C ATOM 871 CD1 LEU A 60 1.489 -1.861 -2.443 1.00 53.10 C ATOM 872 CD2 LEU A 60 3.166 -2.070 -4.287 1.00 11.31 C ATOM 0 H LEU A 60 -0.705 -3.656 -6.495 1.00 63.04 H new ATOM 0 HA LEU A 60 2.180 -3.842 -6.106 1.00 51.53 H new ATOM 0 HB2 LEU A 60 0.175 -3.702 -3.830 1.00 31.12 H new ATOM 0 HB3 LEU A 60 1.804 -4.323 -3.654 1.00 31.12 H new ATOM 0 HG LEU A 60 1.123 -1.496 -4.510 1.00 44.44 H new ATOM 0 HD11 LEU A 60 1.855 -0.853 -2.248 1.00 53.10 H new ATOM 0 HD12 LEU A 60 0.427 -1.914 -2.204 1.00 53.10 H new ATOM 0 HD13 LEU A 60 2.036 -2.571 -1.823 1.00 53.10 H new ATOM 0 HD21 LEU A 60 3.509 -1.059 -4.066 1.00 11.31 H new ATOM 0 HD22 LEU A 60 3.755 -2.786 -3.714 1.00 11.31 H new ATOM 0 HD23 LEU A 60 3.288 -2.270 -5.352 1.00 11.31 H new ATOM 884 N ASP A 61 1.173 -6.080 -6.974 1.00 32.43 N ATOM 885 CA ASP A 61 0.934 -7.498 -7.218 1.00 34.12 C ATOM 886 C ASP A 61 1.821 -8.360 -6.325 1.00 71.44 C ATOM 887 O ASP A 61 3.019 -8.501 -6.573 1.00 62.23 O ATOM 888 CB ASP A 61 1.187 -7.834 -8.688 1.00 65.31 C ATOM 889 CG ASP A 61 0.968 -9.303 -8.992 1.00 72.14 C ATOM 890 OD1 ASP A 61 0.880 -10.100 -8.035 1.00 71.23 O ATOM 891 OD2 ASP A 61 0.885 -9.656 -10.188 1.00 14.23 O ATOM 0 H ASP A 61 1.568 -5.576 -7.768 1.00 32.43 H new ATOM 0 HA ASP A 61 -0.108 -7.712 -6.979 1.00 34.12 H new ATOM 0 HB2 ASP A 61 0.526 -7.234 -9.314 1.00 65.31 H new ATOM 0 HB3 ASP A 61 2.209 -7.560 -8.950 1.00 65.31 H new ATOM 896 N LEU A 62 1.226 -8.935 -5.286 1.00 15.31 N ATOM 897 CA LEU A 62 1.962 -9.783 -4.355 1.00 52.11 C ATOM 898 C LEU A 62 1.746 -11.259 -4.675 1.00 54.53 C ATOM 899 O LEU A 62 0.613 -11.740 -4.693 1.00 71.31 O ATOM 900 CB LEU A 62 1.528 -9.492 -2.917 1.00 71.52 C ATOM 901 CG LEU A 62 1.278 -8.023 -2.575 1.00 62.23 C ATOM 902 CD1 LEU A 62 0.898 -7.873 -1.111 1.00 20.15 C ATOM 903 CD2 LEU A 62 2.506 -7.184 -2.898 1.00 61.32 C ATOM 0 H LEU A 62 0.235 -8.829 -5.067 1.00 15.31 H new ATOM 0 HA LEU A 62 3.024 -9.559 -4.460 1.00 52.11 H new ATOM 0 HB2 LEU A 62 0.615 -10.052 -2.714 1.00 71.52 H new ATOM 0 HB3 LEU A 62 2.294 -9.876 -2.243 1.00 71.52 H new ATOM 0 HG LEU A 62 0.447 -7.665 -3.183 1.00 62.23 H new ATOM 0 HD11 LEU A 62 0.724 -6.821 -0.886 1.00 20.15 H new ATOM 0 HD12 LEU A 62 -0.010 -8.442 -0.911 1.00 20.15 H new ATOM 0 HD13 LEU A 62 1.707 -8.249 -0.485 1.00 20.15 H new ATOM 0 HD21 LEU A 62 2.310 -6.141 -2.648 1.00 61.32 H new ATOM 0 HD22 LEU A 62 3.355 -7.543 -2.317 1.00 61.32 H new ATOM 0 HD23 LEU A 62 2.733 -7.266 -3.961 1.00 61.32 H new ATOM 915 N TRP A 63 2.838 -11.970 -4.925 1.00 65.25 N ATOM 916 CA TRP A 63 2.768 -13.392 -5.243 1.00 23.12 C ATOM 917 C TRP A 63 3.391 -14.229 -4.131 1.00 63.32 C ATOM 918 O TRP A 63 4.613 -14.280 -3.989 1.00 45.42 O ATOM 919 CB TRP A 63 3.476 -13.675 -6.569 1.00 32.20 C ATOM 920 CG TRP A 63 3.141 -15.017 -7.146 1.00 64.40 C ATOM 921 CD1 TRP A 63 3.952 -16.116 -7.189 1.00 54.14 C ATOM 922 CD2 TRP A 63 1.908 -15.402 -7.764 1.00 1.55 C ATOM 923 NE1 TRP A 63 3.296 -17.160 -7.797 1.00 3.23 N ATOM 924 CE2 TRP A 63 2.041 -16.748 -8.157 1.00 52.52 C ATOM 925 CE3 TRP A 63 0.704 -14.740 -8.020 1.00 60.43 C ATOM 926 CZ2 TRP A 63 1.015 -17.441 -8.794 1.00 61.01 C ATOM 927 CZ3 TRP A 63 -0.313 -15.430 -8.653 1.00 22.03 C ATOM 928 CH2 TRP A 63 -0.153 -16.769 -9.033 1.00 63.11 C ATOM 0 H TRP A 63 3.783 -11.586 -4.914 1.00 65.25 H new ATOM 0 HA TRP A 63 1.717 -13.667 -5.335 1.00 23.12 H new ATOM 0 HB2 TRP A 63 3.208 -12.901 -7.288 1.00 32.20 H new ATOM 0 HB3 TRP A 63 4.554 -13.611 -6.418 1.00 32.20 H new ATOM 0 HD1 TRP A 63 4.960 -16.158 -6.802 1.00 54.14 H new ATOM 0 HE1 TRP A 63 3.682 -18.091 -7.954 1.00 3.23 H new ATOM 0 HE3 TRP A 63 0.571 -13.709 -7.729 1.00 60.43 H new ATOM 0 HZ2 TRP A 63 1.137 -18.473 -9.089 1.00 61.01 H new ATOM 0 HZ3 TRP A 63 -1.247 -14.928 -8.858 1.00 22.03 H new ATOM 0 HH2 TRP A 63 -0.967 -17.281 -9.524 1.00 63.11 H new ATOM 939 N HIS A 64 2.544 -14.886 -3.345 1.00 1.11 N ATOM 940 CA HIS A 64 3.013 -15.722 -2.246 1.00 31.23 C ATOM 941 C HIS A 64 4.019 -14.969 -1.380 1.00 54.24 C ATOM 942 O HIS A 64 5.087 -15.487 -1.059 1.00 31.24 O ATOM 943 CB HIS A 64 3.647 -17.004 -2.787 1.00 3.22 C ATOM 944 CG HIS A 64 2.665 -17.931 -3.434 1.00 64.13 C ATOM 945 ND1 HIS A 64 2.562 -19.266 -3.106 1.00 32.31 N ATOM 946 CD2 HIS A 64 1.738 -17.708 -4.395 1.00 64.41 C ATOM 947 CE1 HIS A 64 1.615 -19.825 -3.838 1.00 32.30 C ATOM 948 NE2 HIS A 64 1.099 -18.901 -4.628 1.00 60.13 N ATOM 0 H HIS A 64 1.530 -14.856 -3.449 1.00 1.11 H new ATOM 0 HA HIS A 64 2.153 -15.983 -1.629 1.00 31.23 H new ATOM 0 HB2 HIS A 64 4.417 -16.741 -3.512 1.00 3.22 H new ATOM 0 HB3 HIS A 64 4.144 -17.527 -1.970 1.00 3.22 H new ATOM 0 HD1 HIS A 64 3.128 -19.747 -2.407 1.00 32.31 H new ATOM 0 HD2 HIS A 64 1.538 -16.767 -4.887 1.00 64.41 H new ATOM 0 HE1 HIS A 64 1.314 -20.861 -3.797 1.00 32.30 H new ATOM 957 N GLY A 65 3.669 -13.741 -1.008 1.00 30.35 N ATOM 958 CA GLY A 65 4.552 -12.936 -0.184 1.00 61.30 C ATOM 959 C GLY A 65 5.646 -12.265 -0.991 1.00 72.31 C ATOM 960 O GLY A 65 6.246 -11.289 -0.544 1.00 2.23 O ATOM 0 H GLY A 65 2.790 -13.290 -1.262 1.00 30.35 H new ATOM 0 HA2 GLY A 65 3.968 -12.175 0.333 1.00 61.30 H new ATOM 0 HA3 GLY A 65 5.004 -13.566 0.582 1.00 61.30 H new ATOM 964 N ALA A 66 5.906 -12.791 -2.184 1.00 23.05 N ATOM 965 CA ALA A 66 6.935 -12.236 -3.055 1.00 31.33 C ATOM 966 C ALA A 66 6.324 -11.328 -4.116 1.00 52.31 C ATOM 967 O ALA A 66 5.497 -11.762 -4.919 1.00 23.11 O ATOM 968 CB ALA A 66 7.731 -13.355 -3.710 1.00 23.01 C ATOM 0 H ALA A 66 5.419 -13.600 -2.569 1.00 23.05 H new ATOM 0 HA ALA A 66 7.609 -11.635 -2.444 1.00 31.33 H new ATOM 0 HB1 ALA A 66 8.496 -12.927 -4.358 1.00 23.01 H new ATOM 0 HB2 ALA A 66 8.206 -13.962 -2.940 1.00 23.01 H new ATOM 0 HB3 ALA A 66 7.062 -13.979 -4.302 1.00 23.01 H new ATOM 974 N CYS A 67 6.735 -10.064 -4.114 1.00 72.03 N ATOM 975 CA CYS A 67 6.227 -9.093 -5.076 1.00 63.01 C ATOM 976 C CYS A 67 6.327 -9.634 -6.499 1.00 70.04 C ATOM 977 O CYS A 67 7.196 -10.451 -6.805 1.00 3.44 O ATOM 978 CB CYS A 67 7.002 -7.779 -4.963 1.00 4.22 C ATOM 979 SG CYS A 67 6.979 -6.769 -6.479 1.00 10.33 S ATOM 0 H CYS A 67 7.419 -9.688 -3.457 1.00 72.03 H new ATOM 0 HA CYS A 67 5.177 -8.909 -4.849 1.00 63.01 H new ATOM 0 HB2 CYS A 67 6.586 -7.194 -4.143 1.00 4.22 H new ATOM 0 HB3 CYS A 67 8.037 -8.001 -4.703 1.00 4.22 H new ATOM 984 N ARG A 68 5.431 -9.173 -7.366 1.00 1.41 N ATOM 985 CA ARG A 68 5.417 -9.610 -8.756 1.00 62.45 C ATOM 986 C ARG A 68 5.583 -8.424 -9.702 1.00 25.14 C ATOM 987 O ARG A 68 6.305 -8.505 -10.695 1.00 11.02 O ATOM 988 CB ARG A 68 4.113 -10.346 -9.069 1.00 33.12 C ATOM 989 CG ARG A 68 4.094 -10.997 -10.442 1.00 42.54 C ATOM 990 CD ARG A 68 3.817 -12.489 -10.348 1.00 53.24 C ATOM 991 NE ARG A 68 3.161 -13.000 -11.549 1.00 33.22 N ATOM 992 CZ ARG A 68 1.867 -12.841 -11.803 1.00 73.14 C ATOM 993 NH1 ARG A 68 1.094 -12.188 -10.946 1.00 43.03 N ATOM 994 NH2 ARG A 68 1.343 -13.336 -12.918 1.00 11.42 N ATOM 0 H ARG A 68 4.705 -8.497 -7.129 1.00 1.41 H new ATOM 0 HA ARG A 68 6.255 -10.291 -8.904 1.00 62.45 H new ATOM 0 HB2 ARG A 68 3.947 -11.112 -8.311 1.00 33.12 H new ATOM 0 HB3 ARG A 68 3.283 -9.643 -8.998 1.00 33.12 H new ATOM 0 HG2 ARG A 68 3.332 -10.523 -11.060 1.00 42.54 H new ATOM 0 HG3 ARG A 68 5.052 -10.834 -10.936 1.00 42.54 H new ATOM 0 HD2 ARG A 68 4.754 -13.023 -10.192 1.00 53.24 H new ATOM 0 HD3 ARG A 68 3.189 -12.687 -9.479 1.00 53.24 H new ATOM 0 HE ARG A 68 3.727 -13.506 -12.230 1.00 33.22 H new ATOM 0 HH11 ARG A 68 1.493 -11.806 -10.088 1.00 43.03 H new ATOM 0 HH12 ARG A 68 0.101 -12.068 -11.144 1.00 43.03 H new ATOM 0 HH21 ARG A 68 1.934 -13.839 -13.580 1.00 11.42 H new ATOM 0 HH22 ARG A 68 0.349 -13.214 -13.113 1.00 11.42 H new ATOM 1008 N GLY A 69 4.910 -7.322 -9.385 1.00 35.51 N ATOM 1009 CA GLY A 69 4.995 -6.136 -10.216 1.00 4.32 C ATOM 1010 C GLY A 69 4.161 -4.990 -9.678 1.00 70.13 C ATOM 1011 O GLY A 69 3.045 -5.196 -9.202 1.00 22.21 O ATOM 0 H GLY A 69 4.307 -7.230 -8.567 1.00 35.51 H new ATOM 0 HA2 GLY A 69 6.036 -5.821 -10.289 1.00 4.32 H new ATOM 0 HA3 GLY A 69 4.664 -6.379 -11.226 1.00 4.32 H new ATOM 1015 N ALA A 70 4.703 -3.779 -9.753 1.00 63.12 N ATOM 1016 CA ALA A 70 4.001 -2.596 -9.271 1.00 21.44 C ATOM 1017 C ALA A 70 3.908 -1.531 -10.358 1.00 24.21 C ATOM 1018 O ALA A 70 4.830 -1.362 -11.156 1.00 43.12 O ATOM 1019 CB ALA A 70 4.696 -2.036 -8.038 1.00 73.42 C ATOM 0 H ALA A 70 5.627 -3.591 -10.143 1.00 63.12 H new ATOM 0 HA ALA A 70 2.987 -2.891 -9.001 1.00 21.44 H new ATOM 0 HB1 ALA A 70 4.161 -1.153 -7.689 1.00 73.42 H new ATOM 0 HB2 ALA A 70 4.704 -2.790 -7.251 1.00 73.42 H new ATOM 0 HB3 ALA A 70 5.721 -1.763 -8.290 1.00 73.42 H new ATOM 1025 N LYS A 71 2.789 -0.815 -10.384 1.00 65.11 N ATOM 1026 CA LYS A 71 2.576 0.235 -11.373 1.00 75.20 C ATOM 1027 C LYS A 71 1.681 1.336 -10.812 1.00 44.15 C ATOM 1028 O LYS A 71 0.686 1.060 -10.143 1.00 42.14 O ATOM 1029 CB LYS A 71 1.948 -0.350 -12.641 1.00 24.15 C ATOM 1030 CG LYS A 71 0.685 -1.152 -12.380 1.00 10.12 C ATOM 1031 CD LYS A 71 0.189 -1.838 -13.642 1.00 2.50 C ATOM 1032 CE LYS A 71 -1.329 -1.916 -13.674 1.00 54.41 C ATOM 1033 NZ LYS A 71 -1.809 -3.315 -13.844 1.00 34.02 N ATOM 0 H LYS A 71 2.016 -0.943 -9.731 1.00 65.11 H new ATOM 0 HA LYS A 71 3.545 0.668 -11.621 1.00 75.20 H new ATOM 0 HB2 LYS A 71 1.717 0.462 -13.330 1.00 24.15 H new ATOM 0 HB3 LYS A 71 2.679 -0.990 -13.136 1.00 24.15 H new ATOM 0 HG2 LYS A 71 0.880 -1.900 -11.611 1.00 10.12 H new ATOM 0 HG3 LYS A 71 -0.092 -0.493 -11.994 1.00 10.12 H new ATOM 0 HD2 LYS A 71 0.545 -1.294 -14.517 1.00 2.50 H new ATOM 0 HD3 LYS A 71 0.607 -2.843 -13.700 1.00 2.50 H new ATOM 0 HE2 LYS A 71 -1.733 -1.503 -12.750 1.00 54.41 H new ATOM 0 HE3 LYS A 71 -1.707 -1.301 -14.490 1.00 54.41 H new ATOM 0 HZ1 LYS A 71 -2.849 -3.326 -13.861 1.00 34.02 H new ATOM 0 HZ2 LYS A 71 -1.444 -3.701 -14.738 1.00 34.02 H new ATOM 0 HZ3 LYS A 71 -1.470 -3.897 -13.052 1.00 34.02 H new ATOM 1047 N ALA A 72 2.042 2.584 -11.091 1.00 45.43 N ATOM 1048 CA ALA A 72 1.271 3.727 -10.618 1.00 32.33 C ATOM 1049 C ALA A 72 0.427 4.322 -11.739 1.00 75.14 C ATOM 1050 O ALA A 72 0.950 4.716 -12.782 1.00 12.44 O ATOM 1051 CB ALA A 72 2.197 4.783 -10.034 1.00 14.54 C ATOM 0 H ALA A 72 2.864 2.829 -11.643 1.00 45.43 H new ATOM 0 HA ALA A 72 0.596 3.380 -9.836 1.00 32.33 H new ATOM 0 HB1 ALA A 72 1.608 5.631 -9.685 1.00 14.54 H new ATOM 0 HB2 ALA A 72 2.752 4.358 -9.198 1.00 14.54 H new ATOM 0 HB3 ALA A 72 2.896 5.118 -10.800 1.00 14.54 H new ATOM 1057 N VAL A 73 -0.883 4.383 -11.520 1.00 11.24 N ATOM 1058 CA VAL A 73 -1.800 4.931 -12.512 1.00 71.31 C ATOM 1059 C VAL A 73 -2.761 5.931 -11.880 1.00 2.43 C ATOM 1060 O VAL A 73 -3.479 5.605 -10.935 1.00 62.13 O ATOM 1061 CB VAL A 73 -2.614 3.818 -13.199 1.00 21.23 C ATOM 1062 CG1 VAL A 73 -3.063 2.780 -12.182 1.00 31.33 C ATOM 1063 CG2 VAL A 73 -3.808 4.408 -13.934 1.00 30.33 C ATOM 0 H VAL A 73 -1.333 4.059 -10.664 1.00 11.24 H new ATOM 0 HA VAL A 73 -1.190 5.440 -13.259 1.00 71.31 H new ATOM 0 HB VAL A 73 -1.975 3.323 -13.930 1.00 21.23 H new ATOM 0 HG11 VAL A 73 -3.637 2.002 -12.685 1.00 31.33 H new ATOM 0 HG12 VAL A 73 -2.189 2.336 -11.705 1.00 31.33 H new ATOM 0 HG13 VAL A 73 -3.686 3.257 -11.425 1.00 31.33 H new ATOM 0 HG21 VAL A 73 -4.372 3.608 -14.413 1.00 30.33 H new ATOM 0 HG22 VAL A 73 -4.450 4.930 -13.225 1.00 30.33 H new ATOM 0 HG23 VAL A 73 -3.459 5.110 -14.691 1.00 30.33 H new ATOM 1073 N GLU A 74 -2.768 7.151 -12.408 1.00 13.32 N ATOM 1074 CA GLU A 74 -3.641 8.200 -11.894 1.00 14.11 C ATOM 1075 C GLU A 74 -5.031 8.104 -12.516 1.00 54.44 C ATOM 1076 O GLU A 74 -5.223 8.430 -13.687 1.00 40.41 O ATOM 1077 CB GLU A 74 -3.039 9.579 -12.174 1.00 30.53 C ATOM 1078 CG GLU A 74 -1.650 9.766 -11.587 1.00 40.32 C ATOM 1079 CD GLU A 74 -0.629 10.185 -12.627 1.00 52.04 C ATOM 1080 OE1 GLU A 74 -0.790 11.278 -13.209 1.00 54.33 O ATOM 1081 OE2 GLU A 74 0.330 9.420 -12.860 1.00 10.12 O ATOM 0 H GLU A 74 -2.180 7.437 -13.191 1.00 13.32 H new ATOM 0 HA GLU A 74 -3.734 8.064 -10.816 1.00 14.11 H new ATOM 0 HB2 GLU A 74 -2.993 9.734 -13.252 1.00 30.53 H new ATOM 0 HB3 GLU A 74 -3.701 10.344 -11.770 1.00 30.53 H new ATOM 0 HG2 GLU A 74 -1.691 10.518 -10.799 1.00 40.32 H new ATOM 0 HG3 GLU A 74 -1.328 8.835 -11.122 1.00 40.32 H new ATOM 1120 N GLU A 78 -6.390 -1.113 -11.793 1.00 65.41 N ATOM 1121 CA GLU A 78 -6.860 -2.490 -11.900 1.00 3.43 C ATOM 1122 C GLU A 78 -6.163 -3.383 -10.877 1.00 75.22 C ATOM 1123 O GLU A 78 -4.942 -3.529 -10.895 1.00 23.22 O ATOM 1124 CB GLU A 78 -6.617 -3.027 -13.312 1.00 14.23 C ATOM 1125 CG GLU A 78 -7.489 -4.220 -13.667 1.00 3.11 C ATOM 1126 CD GLU A 78 -6.759 -5.243 -14.516 1.00 31.04 C ATOM 1127 OE1 GLU A 78 -5.590 -5.551 -14.201 1.00 55.43 O ATOM 1128 OE2 GLU A 78 -7.358 -5.736 -15.494 1.00 61.44 O ATOM 0 HA GLU A 78 -7.931 -2.499 -11.695 1.00 3.43 H new ATOM 0 HB2 GLU A 78 -6.798 -2.228 -14.032 1.00 14.23 H new ATOM 0 HB3 GLU A 78 -5.569 -3.312 -13.408 1.00 14.23 H new ATOM 0 HG2 GLU A 78 -7.838 -4.696 -12.751 1.00 3.11 H new ATOM 0 HG3 GLU A 78 -8.373 -3.873 -14.202 1.00 3.11 H new ATOM 1135 N ALA A 79 -6.951 -3.978 -9.987 1.00 24.21 N ATOM 1136 CA ALA A 79 -6.411 -4.858 -8.958 1.00 31.22 C ATOM 1137 C ALA A 79 -7.524 -5.630 -8.257 1.00 61.20 C ATOM 1138 O ALA A 79 -8.638 -5.129 -8.102 1.00 62.15 O ATOM 1139 CB ALA A 79 -5.605 -4.056 -7.947 1.00 20.20 C ATOM 0 H ALA A 79 -7.964 -3.867 -9.958 1.00 24.21 H new ATOM 0 HA ALA A 79 -5.752 -5.580 -9.441 1.00 31.22 H new ATOM 0 HB1 ALA A 79 -5.208 -4.726 -7.185 1.00 20.20 H new ATOM 0 HB2 ALA A 79 -4.781 -3.555 -8.454 1.00 20.20 H new ATOM 0 HB3 ALA A 79 -6.248 -3.312 -7.477 1.00 20.20 H new ATOM 1145 N ASP A 80 -7.215 -6.852 -7.836 1.00 15.32 N ATOM 1146 CA ASP A 80 -8.190 -7.693 -7.151 1.00 21.02 C ATOM 1147 C ASP A 80 -8.678 -7.026 -5.869 1.00 12.32 C ATOM 1148 O ASP A 80 -9.758 -7.338 -5.367 1.00 12.52 O ATOM 1149 CB ASP A 80 -7.580 -9.058 -6.829 1.00 72.44 C ATOM 1150 CG ASP A 80 -8.187 -10.173 -7.659 1.00 20.14 C ATOM 1151 OD1 ASP A 80 -8.702 -9.881 -8.758 1.00 21.30 O ATOM 1152 OD2 ASP A 80 -8.148 -11.337 -7.208 1.00 22.33 O ATOM 0 H ASP A 80 -6.298 -7.282 -7.957 1.00 15.32 H new ATOM 0 HA ASP A 80 -9.043 -7.832 -7.815 1.00 21.02 H new ATOM 0 HB2 ASP A 80 -6.505 -9.023 -7.004 1.00 72.44 H new ATOM 0 HB3 ASP A 80 -7.724 -9.277 -5.771 1.00 72.44 H new ATOM 1157 N PHE A 81 -7.875 -6.107 -5.343 1.00 50.43 N ATOM 1158 CA PHE A 81 -8.224 -5.396 -4.118 1.00 72.45 C ATOM 1159 C PHE A 81 -7.810 -3.930 -4.203 1.00 24.42 C ATOM 1160 O PHE A 81 -6.635 -3.596 -4.046 1.00 53.52 O ATOM 1161 CB PHE A 81 -7.556 -6.059 -2.912 1.00 1.42 C ATOM 1162 CG PHE A 81 -7.933 -7.502 -2.734 1.00 52.54 C ATOM 1163 CD1 PHE A 81 -9.090 -7.851 -2.056 1.00 42.41 C ATOM 1164 CD2 PHE A 81 -7.131 -8.509 -3.246 1.00 1.13 C ATOM 1165 CE1 PHE A 81 -9.440 -9.178 -1.891 1.00 52.55 C ATOM 1166 CE2 PHE A 81 -7.476 -9.837 -3.085 1.00 33.45 C ATOM 1167 CZ PHE A 81 -8.632 -10.172 -2.406 1.00 24.24 C ATOM 0 H PHE A 81 -6.978 -5.837 -5.746 1.00 50.43 H new ATOM 0 HA PHE A 81 -9.306 -5.442 -3.996 1.00 72.45 H new ATOM 0 HB2 PHE A 81 -6.474 -5.986 -3.021 1.00 1.42 H new ATOM 0 HB3 PHE A 81 -7.824 -5.508 -2.010 1.00 1.42 H new ATOM 0 HD1 PHE A 81 -9.726 -7.077 -1.652 1.00 42.41 H new ATOM 0 HD2 PHE A 81 -6.226 -8.253 -3.777 1.00 1.13 H new ATOM 0 HE1 PHE A 81 -10.344 -9.437 -1.360 1.00 52.55 H new ATOM 0 HE2 PHE A 81 -6.843 -10.613 -3.489 1.00 33.45 H new ATOM 0 HZ PHE A 81 -8.903 -11.210 -2.278 1.00 24.24 H new ATOM 1177 N VAL A 82 -8.783 -3.060 -4.452 1.00 43.21 N ATOM 1178 CA VAL A 82 -8.520 -1.629 -4.557 1.00 74.41 C ATOM 1179 C VAL A 82 -9.097 -0.876 -3.364 1.00 2.04 C ATOM 1180 O VAL A 82 -10.284 -0.992 -3.058 1.00 60.20 O ATOM 1181 CB VAL A 82 -9.111 -1.044 -5.854 1.00 20.24 C ATOM 1182 CG1 VAL A 82 -8.840 0.450 -5.937 1.00 41.21 C ATOM 1183 CG2 VAL A 82 -8.547 -1.765 -7.068 1.00 61.35 C ATOM 0 H VAL A 82 -9.760 -3.320 -4.585 1.00 43.21 H new ATOM 0 HA VAL A 82 -7.437 -1.506 -4.572 1.00 74.41 H new ATOM 0 HB VAL A 82 -10.191 -1.193 -5.841 1.00 20.24 H new ATOM 0 HG11 VAL A 82 -9.265 0.846 -6.859 1.00 41.21 H new ATOM 0 HG12 VAL A 82 -9.297 0.951 -5.083 1.00 41.21 H new ATOM 0 HG13 VAL A 82 -7.764 0.626 -5.928 1.00 41.21 H new ATOM 0 HG21 VAL A 82 -8.975 -1.339 -7.975 1.00 61.35 H new ATOM 0 HG22 VAL A 82 -7.463 -1.649 -7.089 1.00 61.35 H new ATOM 0 HG23 VAL A 82 -8.798 -2.824 -7.011 1.00 61.35 H new ATOM 1193 N ILE A 83 -8.249 -0.103 -2.693 1.00 61.41 N ATOM 1194 CA ILE A 83 -8.675 0.671 -1.534 1.00 23.32 C ATOM 1195 C ILE A 83 -8.461 2.163 -1.761 1.00 2.43 C ATOM 1196 O ILE A 83 -7.346 2.605 -2.037 1.00 52.14 O ATOM 1197 CB ILE A 83 -7.918 0.243 -0.262 1.00 73.43 C ATOM 1198 CG1 ILE A 83 -8.185 -1.233 0.044 1.00 41.34 C ATOM 1199 CG2 ILE A 83 -8.326 1.115 0.915 1.00 4.44 C ATOM 1200 CD1 ILE A 83 -7.426 -1.747 1.247 1.00 52.10 C ATOM 0 H ILE A 83 -7.263 0.004 -2.932 1.00 61.41 H new ATOM 0 HA ILE A 83 -9.739 0.475 -1.397 1.00 23.32 H new ATOM 0 HB ILE A 83 -6.849 0.372 -0.432 1.00 73.43 H new ATOM 0 HG12 ILE A 83 -9.253 -1.374 0.211 1.00 41.34 H new ATOM 0 HG13 ILE A 83 -7.917 -1.831 -0.827 1.00 41.34 H new ATOM 0 HG21 ILE A 83 -7.783 0.801 1.806 1.00 4.44 H new ATOM 0 HG22 ILE A 83 -8.091 2.156 0.695 1.00 4.44 H new ATOM 0 HG23 ILE A 83 -9.397 1.014 1.088 1.00 4.44 H new ATOM 0 HD11 ILE A 83 -7.663 -2.799 1.405 1.00 52.10 H new ATOM 0 HD12 ILE A 83 -6.355 -1.638 1.075 1.00 52.10 H new ATOM 0 HD13 ILE A 83 -7.712 -1.174 2.129 1.00 52.10 H new ATOM 1212 N GLU A 84 -9.537 2.935 -1.640 1.00 5.02 N ATOM 1213 CA GLU A 84 -9.465 4.379 -1.831 1.00 35.11 C ATOM 1214 C GLU A 84 -9.757 5.115 -0.527 1.00 11.44 C ATOM 1215 O GLU A 84 -10.710 4.791 0.182 1.00 43.32 O ATOM 1216 CB GLU A 84 -10.454 4.822 -2.912 1.00 20.24 C ATOM 1217 CG GLU A 84 -10.590 6.331 -3.030 1.00 72.54 C ATOM 1218 CD GLU A 84 -12.026 6.772 -3.241 1.00 25.12 C ATOM 1219 OE1 GLU A 84 -12.912 6.274 -2.516 1.00 12.41 O ATOM 1220 OE2 GLU A 84 -12.262 7.616 -4.131 1.00 24.32 O ATOM 0 H GLU A 84 -10.467 2.585 -1.411 1.00 5.02 H new ATOM 0 HA GLU A 84 -8.453 4.628 -2.150 1.00 35.11 H new ATOM 0 HB2 GLU A 84 -10.134 4.418 -3.873 1.00 20.24 H new ATOM 0 HB3 GLU A 84 -11.432 4.393 -2.695 1.00 20.24 H new ATOM 0 HG2 GLU A 84 -10.199 6.799 -2.127 1.00 72.54 H new ATOM 0 HG3 GLU A 84 -9.980 6.683 -3.861 1.00 72.54 H new ATOM 1227 N ALA A 85 -8.929 6.108 -0.216 1.00 73.44 N ATOM 1228 CA ALA A 85 -9.098 6.891 1.001 1.00 53.30 C ATOM 1229 C ALA A 85 -8.344 8.214 0.912 1.00 71.41 C ATOM 1230 O ALA A 85 -7.526 8.413 0.014 1.00 51.23 O ATOM 1231 CB ALA A 85 -8.631 6.095 2.210 1.00 2.13 C ATOM 0 H ALA A 85 -8.135 6.389 -0.791 1.00 73.44 H new ATOM 0 HA ALA A 85 -10.159 7.115 1.115 1.00 53.30 H new ATOM 0 HB1 ALA A 85 -8.763 6.692 3.112 1.00 2.13 H new ATOM 0 HB2 ALA A 85 -9.217 5.180 2.292 1.00 2.13 H new ATOM 0 HB3 ALA A 85 -7.577 5.842 2.094 1.00 2.13 H new ATOM 1237 N ASP A 86 -8.625 9.113 1.848 1.00 42.52 N ATOM 1238 CA ASP A 86 -7.972 10.417 1.875 1.00 12.40 C ATOM 1239 C ASP A 86 -6.463 10.266 2.039 1.00 50.43 C ATOM 1240 O ASP A 86 -5.992 9.417 2.796 1.00 2.12 O ATOM 1241 CB ASP A 86 -8.538 11.271 3.011 1.00 50.00 C ATOM 1242 CG ASP A 86 -10.008 11.588 2.820 1.00 52.21 C ATOM 1243 OD1 ASP A 86 -10.373 12.077 1.730 1.00 73.21 O ATOM 1244 OD2 ASP A 86 -10.794 11.347 3.760 1.00 63.00 O ATOM 0 H ASP A 86 -9.300 8.963 2.598 1.00 42.52 H new ATOM 0 HA ASP A 86 -8.168 10.914 0.925 1.00 12.40 H new ATOM 0 HB2 ASP A 86 -8.402 10.748 3.957 1.00 50.00 H new ATOM 0 HB3 ASP A 86 -7.974 12.202 3.078 1.00 50.00 H new ATOM 1249 N LEU A 87 -5.710 11.094 1.323 1.00 1.42 N ATOM 1250 CA LEU A 87 -4.253 11.053 1.388 1.00 31.20 C ATOM 1251 C LEU A 87 -3.768 11.173 2.829 1.00 35.53 C ATOM 1252 O LEU A 87 -2.767 10.567 3.210 1.00 11.11 O ATOM 1253 CB LEU A 87 -3.653 12.176 0.541 1.00 0.41 C ATOM 1254 CG LEU A 87 -2.209 12.561 0.863 1.00 4.41 C ATOM 1255 CD1 LEU A 87 -1.305 11.339 0.807 1.00 13.31 C ATOM 1256 CD2 LEU A 87 -1.716 13.635 -0.096 1.00 54.14 C ATOM 0 H LEU A 87 -6.084 11.802 0.691 1.00 1.42 H new ATOM 0 HA LEU A 87 -3.924 10.092 0.992 1.00 31.20 H new ATOM 0 HB2 LEU A 87 -3.704 11.881 -0.507 1.00 0.41 H new ATOM 0 HB3 LEU A 87 -4.278 13.062 0.653 1.00 0.41 H new ATOM 0 HG LEU A 87 -2.179 12.964 1.875 1.00 4.41 H new ATOM 0 HD11 LEU A 87 -0.281 11.633 1.039 1.00 13.31 H new ATOM 0 HD12 LEU A 87 -1.645 10.602 1.534 1.00 13.31 H new ATOM 0 HD13 LEU A 87 -1.340 10.906 -0.193 1.00 13.31 H new ATOM 0 HD21 LEU A 87 -0.686 13.896 0.149 1.00 54.14 H new ATOM 0 HD22 LEU A 87 -1.762 13.259 -1.118 1.00 54.14 H new ATOM 0 HD23 LEU A 87 -2.346 14.520 -0.006 1.00 54.14 H new ATOM 1268 N ALA A 88 -4.487 11.956 3.627 1.00 73.03 N ATOM 1269 CA ALA A 88 -4.133 12.152 5.027 1.00 31.50 C ATOM 1270 C ALA A 88 -4.194 10.837 5.797 1.00 23.14 C ATOM 1271 O ALA A 88 -3.326 10.548 6.623 1.00 74.34 O ATOM 1272 CB ALA A 88 -5.053 13.182 5.665 1.00 3.20 C ATOM 0 H ALA A 88 -5.319 12.465 3.327 1.00 73.03 H new ATOM 0 HA ALA A 88 -3.108 12.521 5.069 1.00 31.50 H new ATOM 0 HB1 ALA A 88 -4.777 13.318 6.711 1.00 3.20 H new ATOM 0 HB2 ALA A 88 -4.957 14.131 5.138 1.00 3.20 H new ATOM 0 HB3 ALA A 88 -6.085 12.836 5.604 1.00 3.20 H new ATOM 1278 N THR A 89 -5.224 10.043 5.524 1.00 71.34 N ATOM 1279 CA THR A 89 -5.399 8.760 6.192 1.00 21.42 C ATOM 1280 C THR A 89 -4.361 7.748 5.720 1.00 30.22 C ATOM 1281 O THR A 89 -3.924 6.889 6.487 1.00 53.23 O ATOM 1282 CB THR A 89 -6.807 8.186 5.947 1.00 32.33 C ATOM 1283 OG1 THR A 89 -7.800 9.117 6.392 1.00 21.10 O ATOM 1284 CG2 THR A 89 -6.986 6.861 6.674 1.00 44.03 C ATOM 0 H THR A 89 -5.951 10.266 4.844 1.00 71.34 H new ATOM 0 HA THR A 89 -5.269 8.939 7.259 1.00 21.42 H new ATOM 0 HB THR A 89 -6.924 8.014 4.877 1.00 32.33 H new ATOM 0 HG1 THR A 89 -8.692 8.745 6.231 1.00 21.10 H new ATOM 0 HG21 THR A 89 -7.988 6.475 6.486 1.00 44.03 H new ATOM 0 HG22 THR A 89 -6.248 6.145 6.313 1.00 44.03 H new ATOM 0 HG23 THR A 89 -6.851 7.012 7.745 1.00 44.03 H new ATOM 1292 N TRP A 90 -3.970 7.855 4.456 1.00 70.04 N ATOM 1293 CA TRP A 90 -2.982 6.948 3.882 1.00 42.51 C ATOM 1294 C TRP A 90 -1.600 7.205 4.473 1.00 41.11 C ATOM 1295 O TRP A 90 -0.822 6.274 4.681 1.00 15.12 O ATOM 1296 CB TRP A 90 -2.937 7.106 2.361 1.00 10.22 C ATOM 1297 CG TRP A 90 -3.991 6.312 1.650 1.00 2.13 C ATOM 1298 CD1 TRP A 90 -4.960 6.796 0.819 1.00 71.21 C ATOM 1299 CD2 TRP A 90 -4.182 4.894 1.710 1.00 3.44 C ATOM 1300 NE1 TRP A 90 -5.742 5.764 0.358 1.00 13.24 N ATOM 1301 CE2 TRP A 90 -5.285 4.588 0.890 1.00 62.51 C ATOM 1302 CE3 TRP A 90 -3.527 3.854 2.375 1.00 11.25 C ATOM 1303 CZ2 TRP A 90 -5.746 3.285 0.720 1.00 70.12 C ATOM 1304 CZ3 TRP A 90 -3.986 2.562 2.206 1.00 73.02 C ATOM 1305 CH2 TRP A 90 -5.086 2.286 1.383 1.00 54.10 C ATOM 0 H TRP A 90 -4.321 8.560 3.808 1.00 70.04 H new ATOM 0 HA TRP A 90 -3.277 5.927 4.126 1.00 42.51 H new ATOM 0 HB2 TRP A 90 -3.054 8.160 2.109 1.00 10.22 H new ATOM 0 HB3 TRP A 90 -1.955 6.799 2.000 1.00 10.22 H new ATOM 0 HD1 TRP A 90 -5.093 7.837 0.562 1.00 71.21 H new ATOM 0 HE1 TRP A 90 -6.534 5.859 -0.277 1.00 13.24 H new ATOM 0 HE3 TRP A 90 -2.677 4.057 3.010 1.00 11.25 H new ATOM 0 HZ2 TRP A 90 -6.594 3.070 0.087 1.00 70.12 H new ATOM 0 HZ3 TRP A 90 -3.489 1.751 2.717 1.00 73.02 H new ATOM 0 HH2 TRP A 90 -5.420 1.265 1.270 1.00 54.10 H new ATOM 1316 N GLN A 91 -1.301 8.472 4.741 1.00 55.23 N ATOM 1317 CA GLN A 91 -0.012 8.849 5.308 1.00 51.54 C ATOM 1318 C GLN A 91 0.194 8.199 6.671 1.00 22.15 C ATOM 1319 O GLN A 91 1.200 7.529 6.904 1.00 41.41 O ATOM 1320 CB GLN A 91 0.088 10.371 5.435 1.00 75.44 C ATOM 1321 CG GLN A 91 0.347 11.076 4.113 1.00 32.31 C ATOM 1322 CD GLN A 91 1.244 12.288 4.265 1.00 42.13 C ATOM 1323 OE1 GLN A 91 1.668 12.627 5.370 1.00 24.50 O ATOM 1324 NE2 GLN A 91 1.539 12.950 3.152 1.00 71.33 N ATOM 0 H GLN A 91 -1.934 9.254 4.575 1.00 55.23 H new ATOM 0 HA GLN A 91 0.770 8.495 4.635 1.00 51.54 H new ATOM 0 HB2 GLN A 91 -0.838 10.753 5.866 1.00 75.44 H new ATOM 0 HB3 GLN A 91 0.889 10.617 6.132 1.00 75.44 H new ATOM 0 HG2 GLN A 91 0.805 10.375 3.415 1.00 32.31 H new ATOM 0 HG3 GLN A 91 -0.603 11.384 3.678 1.00 32.31 H new ATOM 0 HE21 GLN A 91 1.166 12.634 2.257 1.00 71.33 H new ATOM 0 HE22 GLN A 91 2.139 13.774 3.193 1.00 71.33 H new ATOM 1333 N GLU A 92 -0.765 8.401 7.569 1.00 0.24 N ATOM 1334 CA GLU A 92 -0.687 7.835 8.911 1.00 64.32 C ATOM 1335 C GLU A 92 -0.107 6.423 8.872 1.00 13.43 C ATOM 1336 O GLU A 92 0.935 6.151 9.469 1.00 53.41 O ATOM 1337 CB GLU A 92 -2.072 7.812 9.561 1.00 63.35 C ATOM 1338 CG GLU A 92 -2.882 9.072 9.310 1.00 13.24 C ATOM 1339 CD GLU A 92 -3.800 9.415 10.468 1.00 73.33 C ATOM 1340 OE1 GLU A 92 -3.292 9.867 11.515 1.00 74.11 O ATOM 1341 OE2 GLU A 92 -5.027 9.230 10.325 1.00 14.44 O ATOM 0 H GLU A 92 -1.605 8.952 7.392 1.00 0.24 H new ATOM 0 HA GLU A 92 -0.026 8.465 9.506 1.00 64.32 H new ATOM 0 HB2 GLU A 92 -2.627 6.952 9.185 1.00 63.35 H new ATOM 0 HB3 GLU A 92 -1.958 7.672 10.636 1.00 63.35 H new ATOM 0 HG2 GLU A 92 -2.204 9.906 9.130 1.00 13.24 H new ATOM 0 HG3 GLU A 92 -3.477 8.943 8.406 1.00 13.24 H new ATOM 1348 N VAL A 93 -0.791 5.528 8.166 1.00 10.52 N ATOM 1349 CA VAL A 93 -0.345 4.145 8.049 1.00 53.24 C ATOM 1350 C VAL A 93 1.141 4.073 7.718 1.00 41.04 C ATOM 1351 O VAL A 93 1.912 3.411 8.414 1.00 1.30 O ATOM 1352 CB VAL A 93 -1.138 3.390 6.966 1.00 55.15 C ATOM 1353 CG1 VAL A 93 -0.634 1.961 6.833 1.00 50.33 C ATOM 1354 CG2 VAL A 93 -2.626 3.412 7.283 1.00 71.32 C ATOM 0 H VAL A 93 -1.656 5.736 7.667 1.00 10.52 H new ATOM 0 HA VAL A 93 -0.522 3.672 9.015 1.00 53.24 H new ATOM 0 HB VAL A 93 -0.985 3.894 6.011 1.00 55.15 H new ATOM 0 HG11 VAL A 93 -1.206 1.443 6.063 1.00 50.33 H new ATOM 0 HG12 VAL A 93 0.420 1.971 6.556 1.00 50.33 H new ATOM 0 HG13 VAL A 93 -0.754 1.443 7.784 1.00 50.33 H new ATOM 0 HG21 VAL A 93 -3.171 2.874 6.507 1.00 71.32 H new ATOM 0 HG22 VAL A 93 -2.800 2.934 8.247 1.00 71.32 H new ATOM 0 HG23 VAL A 93 -2.974 4.444 7.322 1.00 71.32 H new ATOM 1364 N LEU A 94 1.538 4.758 6.651 1.00 72.01 N ATOM 1365 CA LEU A 94 2.934 4.773 6.227 1.00 75.34 C ATOM 1366 C LEU A 94 3.839 5.269 7.350 1.00 72.24 C ATOM 1367 O LEU A 94 4.942 4.759 7.540 1.00 4.13 O ATOM 1368 CB LEU A 94 3.102 5.659 4.991 1.00 22.41 C ATOM 1369 CG LEU A 94 3.610 4.961 3.729 1.00 72.41 C ATOM 1370 CD1 LEU A 94 4.958 4.307 3.986 1.00 25.33 C ATOM 1371 CD2 LEU A 94 2.599 3.931 3.246 1.00 61.41 C ATOM 0 H LEU A 94 0.913 5.310 6.064 1.00 72.01 H new ATOM 0 HA LEU A 94 3.224 3.752 5.977 1.00 75.34 H new ATOM 0 HB2 LEU A 94 2.140 6.119 4.765 1.00 22.41 H new ATOM 0 HB3 LEU A 94 3.792 6.466 5.238 1.00 22.41 H new ATOM 0 HG LEU A 94 3.737 5.711 2.948 1.00 72.41 H new ATOM 0 HD11 LEU A 94 5.303 3.815 3.076 1.00 25.33 H new ATOM 0 HD12 LEU A 94 5.680 5.067 4.284 1.00 25.33 H new ATOM 0 HD13 LEU A 94 4.858 3.569 4.782 1.00 25.33 H new ATOM 0 HD21 LEU A 94 2.977 3.444 2.347 1.00 61.41 H new ATOM 0 HD22 LEU A 94 2.440 3.184 4.024 1.00 61.41 H new ATOM 0 HD23 LEU A 94 1.654 4.426 3.021 1.00 61.41 H new ATOM 1383 N GLU A 95 3.363 6.264 8.091 1.00 55.44 N ATOM 1384 CA GLU A 95 4.129 6.828 9.196 1.00 63.33 C ATOM 1385 C GLU A 95 4.360 5.785 10.285 1.00 33.34 C ATOM 1386 O GLU A 95 5.199 5.966 11.166 1.00 11.55 O ATOM 1387 CB GLU A 95 3.405 8.042 9.781 1.00 22.24 C ATOM 1388 CG GLU A 95 3.411 9.254 8.866 1.00 44.42 C ATOM 1389 CD GLU A 95 4.489 10.257 9.232 1.00 33.43 C ATOM 1390 OE1 GLU A 95 5.577 9.826 9.669 1.00 55.22 O ATOM 1391 OE2 GLU A 95 4.243 11.472 9.082 1.00 23.11 O ATOM 0 H GLU A 95 2.451 6.696 7.946 1.00 55.44 H new ATOM 0 HA GLU A 95 5.098 7.145 8.809 1.00 63.33 H new ATOM 0 HB2 GLU A 95 2.373 7.768 10.000 1.00 22.24 H new ATOM 0 HB3 GLU A 95 3.872 8.311 10.729 1.00 22.24 H new ATOM 0 HG2 GLU A 95 3.559 8.927 7.837 1.00 44.42 H new ATOM 0 HG3 GLU A 95 2.437 9.741 8.909 1.00 44.42 H new ATOM 1398 N GLY A 96 3.607 4.691 10.218 1.00 30.42 N ATOM 1399 CA GLY A 96 3.743 3.635 11.204 1.00 21.24 C ATOM 1400 C GLY A 96 2.815 3.824 12.388 1.00 71.42 C ATOM 1401 O GLY A 96 2.675 2.931 13.224 1.00 0.01 O ATOM 0 H GLY A 96 2.905 4.517 9.498 1.00 30.42 H new ATOM 0 HA2 GLY A 96 3.535 2.674 10.733 1.00 21.24 H new ATOM 0 HA3 GLY A 96 4.774 3.602 11.556 1.00 21.24 H new ATOM 1405 N ARG A 97 2.180 4.989 12.460 1.00 61.01 N ATOM 1406 CA ARG A 97 1.263 5.293 13.552 1.00 52.15 C ATOM 1407 C ARG A 97 -0.092 4.630 13.324 1.00 73.43 C ATOM 1408 O ARG A 97 -0.800 4.296 14.275 1.00 13.50 O ATOM 1409 CB ARG A 97 1.085 6.806 13.690 1.00 10.11 C ATOM 1410 CG ARG A 97 2.381 7.549 13.971 1.00 63.45 C ATOM 1411 CD ARG A 97 2.506 7.916 15.441 1.00 53.42 C ATOM 1412 NE ARG A 97 2.562 9.362 15.640 1.00 0.14 N ATOM 1413 CZ ARG A 97 2.329 9.952 16.807 1.00 2.44 C ATOM 1414 NH1 ARG A 97 2.026 9.225 17.874 1.00 64.35 N ATOM 1415 NH2 ARG A 97 2.400 11.273 16.910 1.00 54.52 N ATOM 0 H ARG A 97 2.284 5.738 11.775 1.00 61.01 H new ATOM 0 HA ARG A 97 1.691 4.898 14.473 1.00 52.15 H new ATOM 0 HB2 ARG A 97 0.644 7.196 12.773 1.00 10.11 H new ATOM 0 HB3 ARG A 97 0.378 7.008 14.495 1.00 10.11 H new ATOM 0 HG2 ARG A 97 3.228 6.929 13.676 1.00 63.45 H new ATOM 0 HG3 ARG A 97 2.422 8.454 13.364 1.00 63.45 H new ATOM 0 HD2 ARG A 97 1.658 7.507 15.990 1.00 53.42 H new ATOM 0 HD3 ARG A 97 3.405 7.458 15.854 1.00 53.42 H new ATOM 0 HE ARG A 97 2.793 9.951 14.839 1.00 0.14 H new ATOM 0 HH11 ARG A 97 1.971 8.209 17.800 1.00 64.35 H new ATOM 0 HH12 ARG A 97 1.848 9.682 18.768 1.00 64.35 H new ATOM 0 HH21 ARG A 97 2.634 11.836 16.092 1.00 54.52 H new ATOM 0 HH22 ARG A 97 2.221 11.725 17.807 1.00 54.52 H new ATOM 1429 N LEU A 98 -0.447 4.441 12.058 1.00 54.24 N ATOM 1430 CA LEU A 98 -1.718 3.818 11.704 1.00 70.10 C ATOM 1431 C LEU A 98 -1.493 2.471 11.023 1.00 13.44 C ATOM 1432 O LEU A 98 -0.362 2.110 10.700 1.00 54.42 O ATOM 1433 CB LEU A 98 -2.522 4.739 10.785 1.00 71.13 C ATOM 1434 CG LEU A 98 -3.618 5.568 11.456 1.00 24.34 C ATOM 1435 CD1 LEU A 98 -4.804 4.689 11.821 1.00 60.10 C ATOM 1436 CD2 LEU A 98 -3.073 6.271 12.691 1.00 21.22 C ATOM 0 H LEU A 98 0.127 4.710 11.259 1.00 54.24 H new ATOM 0 HA LEU A 98 -2.281 3.651 12.622 1.00 70.10 H new ATOM 0 HB2 LEU A 98 -1.830 5.421 10.291 1.00 71.13 H new ATOM 0 HB3 LEU A 98 -2.981 4.131 10.005 1.00 71.13 H new ATOM 0 HG LEU A 98 -3.958 6.326 10.750 1.00 24.34 H new ATOM 0 HD11 LEU A 98 -5.574 5.296 12.297 1.00 60.10 H new ATOM 0 HD12 LEU A 98 -5.209 4.232 10.918 1.00 60.10 H new ATOM 0 HD13 LEU A 98 -4.480 3.908 12.509 1.00 60.10 H new ATOM 0 HD21 LEU A 98 -3.866 6.856 13.156 1.00 21.22 H new ATOM 0 HD22 LEU A 98 -2.706 5.529 13.400 1.00 21.22 H new ATOM 0 HD23 LEU A 98 -2.256 6.932 12.402 1.00 21.22 H new ATOM 1448 N GLU A 99 -2.579 1.735 10.808 1.00 64.42 N ATOM 1449 CA GLU A 99 -2.499 0.429 10.164 1.00 21.40 C ATOM 1450 C GLU A 99 -3.355 0.391 8.901 1.00 3.41 C ATOM 1451 O GLU A 99 -4.350 1.105 8.774 1.00 45.53 O ATOM 1452 CB GLU A 99 -2.948 -0.669 11.130 1.00 34.34 C ATOM 1453 CG GLU A 99 -1.797 -1.447 11.746 1.00 74.12 C ATOM 1454 CD GLU A 99 -0.882 -0.572 12.580 1.00 60.11 C ATOM 1455 OE1 GLU A 99 -1.369 0.030 13.560 1.00 22.42 O ATOM 1456 OE2 GLU A 99 0.320 -0.489 12.253 1.00 42.31 O ATOM 0 H GLU A 99 -3.523 2.020 11.070 1.00 64.42 H new ATOM 0 HA GLU A 99 -1.460 0.254 9.884 1.00 21.40 H new ATOM 0 HB2 GLU A 99 -3.540 -0.220 11.928 1.00 34.34 H new ATOM 0 HB3 GLU A 99 -3.601 -1.362 10.600 1.00 34.34 H new ATOM 0 HG2 GLU A 99 -2.197 -2.247 12.370 1.00 74.12 H new ATOM 0 HG3 GLU A 99 -1.218 -1.920 10.953 1.00 74.12 H new ATOM 1463 N PRO A 100 -2.959 -0.461 7.944 1.00 52.22 N ATOM 1464 CA PRO A 100 -3.675 -0.612 6.674 1.00 72.23 C ATOM 1465 C PRO A 100 -5.032 -1.286 6.850 1.00 42.13 C ATOM 1466 O PRO A 100 -6.052 -0.785 6.374 1.00 3.34 O ATOM 1467 CB PRO A 100 -2.742 -1.498 5.844 1.00 52.41 C ATOM 1468 CG PRO A 100 -1.951 -2.261 6.849 1.00 30.02 C ATOM 1469 CD PRO A 100 -1.783 -1.343 8.028 1.00 41.41 C ATOM 0 HA PRO A 100 -3.894 0.351 6.212 1.00 72.23 H new ATOM 0 HB2 PRO A 100 -3.306 -2.167 5.194 1.00 52.41 H new ATOM 0 HB3 PRO A 100 -2.095 -0.900 5.202 1.00 52.41 H new ATOM 0 HG2 PRO A 100 -2.467 -3.177 7.138 1.00 30.02 H new ATOM 0 HG3 PRO A 100 -0.983 -2.555 6.442 1.00 30.02 H new ATOM 0 HD2 PRO A 100 -1.761 -1.895 8.967 1.00 41.41 H new ATOM 0 HD3 PRO A 100 -0.852 -0.779 7.968 1.00 41.41 H new ATOM 1477 N LEU A 101 -5.038 -2.424 7.535 1.00 5.34 N ATOM 1478 CA LEU A 101 -6.270 -3.166 7.775 1.00 70.41 C ATOM 1479 C LEU A 101 -7.095 -2.511 8.878 1.00 53.15 C ATOM 1480 O LEU A 101 -8.302 -2.319 8.732 1.00 15.13 O ATOM 1481 CB LEU A 101 -5.951 -4.614 8.153 1.00 11.10 C ATOM 1482 CG LEU A 101 -5.883 -5.611 6.995 1.00 13.44 C ATOM 1483 CD1 LEU A 101 -4.468 -6.143 6.832 1.00 72.13 C ATOM 1484 CD2 LEU A 101 -6.863 -6.754 7.218 1.00 42.32 C ATOM 0 H LEU A 101 -4.203 -2.853 7.934 1.00 5.34 H new ATOM 0 HA LEU A 101 -6.855 -3.157 6.855 1.00 70.41 H new ATOM 0 HB2 LEU A 101 -4.995 -4.630 8.676 1.00 11.10 H new ATOM 0 HB3 LEU A 101 -6.706 -4.959 8.859 1.00 11.10 H new ATOM 0 HG LEU A 101 -6.162 -5.094 6.077 1.00 13.44 H new ATOM 0 HD11 LEU A 101 -4.439 -6.851 6.004 1.00 72.13 H new ATOM 0 HD12 LEU A 101 -3.789 -5.315 6.626 1.00 72.13 H new ATOM 0 HD13 LEU A 101 -4.160 -6.645 7.749 1.00 72.13 H new ATOM 0 HD21 LEU A 101 -6.801 -7.454 6.385 1.00 42.32 H new ATOM 0 HD22 LEU A 101 -6.614 -7.271 8.145 1.00 42.32 H new ATOM 0 HD23 LEU A 101 -7.876 -6.357 7.284 1.00 42.32 H new ATOM 1496 N SER A 102 -6.435 -2.168 9.979 1.00 13.31 N ATOM 1497 CA SER A 102 -7.108 -1.535 11.107 1.00 11.34 C ATOM 1498 C SER A 102 -7.808 -0.251 10.672 1.00 41.21 C ATOM 1499 O SER A 102 -8.834 0.131 11.234 1.00 71.24 O ATOM 1500 CB SER A 102 -6.104 -1.229 12.221 1.00 74.31 C ATOM 1501 OG SER A 102 -6.417 -1.949 13.401 1.00 53.11 O ATOM 0 H SER A 102 -5.435 -2.318 10.114 1.00 13.31 H new ATOM 0 HA SER A 102 -7.860 -2.228 11.485 1.00 11.34 H new ATOM 0 HB2 SER A 102 -5.098 -1.487 11.890 1.00 74.31 H new ATOM 0 HB3 SER A 102 -6.105 -0.160 12.432 1.00 74.31 H new ATOM 0 HG SER A 102 -5.760 -1.738 14.097 1.00 53.11 H new ATOM 1507 N ALA A 103 -7.244 0.411 9.667 1.00 54.04 N ATOM 1508 CA ALA A 103 -7.814 1.651 9.153 1.00 31.35 C ATOM 1509 C ALA A 103 -9.099 1.384 8.376 1.00 4.11 C ATOM 1510 O ALA A 103 -10.120 2.034 8.603 1.00 31.12 O ATOM 1511 CB ALA A 103 -6.803 2.372 8.275 1.00 51.14 C ATOM 0 H ALA A 103 -6.393 0.110 9.192 1.00 54.04 H new ATOM 0 HA ALA A 103 -8.060 2.288 10.002 1.00 31.35 H new ATOM 0 HB1 ALA A 103 -7.242 3.296 7.898 1.00 51.14 H new ATOM 0 HB2 ALA A 103 -5.914 2.605 8.860 1.00 51.14 H new ATOM 0 HB3 ALA A 103 -6.528 1.732 7.436 1.00 51.14 H new ATOM 1517 N LEU A 104 -9.041 0.425 7.458 1.00 1.53 N ATOM 1518 CA LEU A 104 -10.200 0.073 6.646 1.00 13.10 C ATOM 1519 C LEU A 104 -11.288 -0.571 7.500 1.00 63.32 C ATOM 1520 O LEU A 104 -12.469 -0.525 7.157 1.00 3.50 O ATOM 1521 CB LEU A 104 -9.789 -0.878 5.521 1.00 52.25 C ATOM 1522 CG LEU A 104 -10.252 -2.328 5.664 1.00 15.12 C ATOM 1523 CD1 LEU A 104 -11.691 -2.478 5.194 1.00 1.20 C ATOM 1524 CD2 LEU A 104 -9.335 -3.260 4.886 1.00 33.34 C ATOM 0 H LEU A 104 -8.204 -0.122 7.258 1.00 1.53 H new ATOM 0 HA LEU A 104 -10.600 0.989 6.211 1.00 13.10 H new ATOM 0 HB2 LEU A 104 -10.176 -0.485 4.581 1.00 52.25 H new ATOM 0 HB3 LEU A 104 -8.702 -0.871 5.446 1.00 52.25 H new ATOM 0 HG LEU A 104 -10.205 -2.602 6.718 1.00 15.12 H new ATOM 0 HD11 LEU A 104 -12.003 -3.517 5.303 1.00 1.20 H new ATOM 0 HD12 LEU A 104 -12.338 -1.839 5.795 1.00 1.20 H new ATOM 0 HD13 LEU A 104 -11.764 -2.186 4.147 1.00 1.20 H new ATOM 0 HD21 LEU A 104 -9.680 -4.288 4.999 1.00 33.34 H new ATOM 0 HD22 LEU A 104 -9.349 -2.987 3.831 1.00 33.34 H new ATOM 0 HD23 LEU A 104 -8.318 -3.174 5.270 1.00 33.34 H new ATOM 1536 N MET A 105 -10.881 -1.170 8.614 1.00 24.50 N ATOM 1537 CA MET A 105 -11.821 -1.821 9.519 1.00 72.22 C ATOM 1538 C MET A 105 -12.478 -0.803 10.445 1.00 4.43 C ATOM 1539 O MET A 105 -13.662 -0.911 10.762 1.00 53.31 O ATOM 1540 CB MET A 105 -11.109 -2.894 10.344 1.00 24.13 C ATOM 1541 CG MET A 105 -10.938 -4.213 9.609 1.00 74.52 C ATOM 1542 SD MET A 105 -11.453 -5.631 10.597 1.00 23.13 S ATOM 1543 CE MET A 105 -13.196 -5.710 10.194 1.00 70.41 C ATOM 0 H MET A 105 -9.907 -1.218 8.912 1.00 24.50 H new ATOM 0 HA MET A 105 -12.598 -2.293 8.917 1.00 72.22 H new ATOM 0 HB2 MET A 105 -10.128 -2.522 10.639 1.00 24.13 H new ATOM 0 HB3 MET A 105 -11.672 -3.069 11.261 1.00 24.13 H new ATOM 0 HG2 MET A 105 -11.518 -4.188 8.686 1.00 74.52 H new ATOM 0 HG3 MET A 105 -9.893 -4.333 9.325 1.00 74.52 H new ATOM 0 HE1 MET A 105 -13.765 -5.965 11.088 1.00 70.41 H new ATOM 0 HE2 MET A 105 -13.527 -4.742 9.817 1.00 70.41 H new ATOM 0 HE3 MET A 105 -13.359 -6.471 9.431 1.00 70.41 H new ATOM 1553 N ARG A 106 -11.700 0.185 10.877 1.00 53.33 N ATOM 1554 CA ARG A 106 -12.206 1.222 11.768 1.00 34.02 C ATOM 1555 C ARG A 106 -13.189 2.134 11.039 1.00 32.42 C ATOM 1556 O ARG A 106 -14.023 2.789 11.662 1.00 32.05 O ATOM 1557 CB ARG A 106 -11.050 2.049 12.332 1.00 25.23 C ATOM 1558 CG ARG A 106 -10.298 1.357 13.458 1.00 72.42 C ATOM 1559 CD ARG A 106 -9.083 2.161 13.893 1.00 32.45 C ATOM 1560 NE ARG A 106 -8.624 1.779 15.226 1.00 2.23 N ATOM 1561 CZ ARG A 106 -9.314 2.015 16.337 1.00 64.43 C ATOM 1562 NH1 ARG A 106 -10.488 2.627 16.274 1.00 31.33 N ATOM 1563 NH2 ARG A 106 -8.829 1.637 17.513 1.00 50.21 N ATOM 0 H ARG A 106 -10.717 0.289 10.624 1.00 53.33 H new ATOM 0 HA ARG A 106 -12.730 0.734 12.590 1.00 34.02 H new ATOM 0 HB2 ARG A 106 -10.352 2.278 11.527 1.00 25.23 H new ATOM 0 HB3 ARG A 106 -11.439 3.000 12.697 1.00 25.23 H new ATOM 0 HG2 ARG A 106 -10.965 1.214 14.308 1.00 72.42 H new ATOM 0 HG3 ARG A 106 -9.982 0.366 13.131 1.00 72.42 H new ATOM 0 HD2 ARG A 106 -8.275 2.015 13.176 1.00 32.45 H new ATOM 0 HD3 ARG A 106 -9.329 3.223 13.884 1.00 32.45 H new ATOM 0 HE ARG A 106 -7.725 1.305 15.309 1.00 2.23 H new ATOM 0 HH11 ARG A 106 -10.864 2.918 15.371 1.00 31.33 H new ATOM 0 HH12 ARG A 106 -11.016 2.807 17.128 1.00 31.33 H new ATOM 0 HH21 ARG A 106 -7.926 1.165 17.564 1.00 50.21 H new ATOM 0 HH22 ARG A 106 -9.359 1.818 18.365 1.00 50.21 H new ATOM 1577 N GLY A 107 -13.084 2.170 9.714 1.00 3.22 N ATOM 1578 CA GLY A 107 -13.968 3.005 8.922 1.00 33.34 C ATOM 1579 C GLY A 107 -13.234 4.137 8.233 1.00 42.41 C ATOM 1580 O GLY A 107 -13.856 5.041 7.673 1.00 70.01 O ATOM 0 H GLY A 107 -12.402 1.636 9.175 1.00 3.22 H new ATOM 0 HA2 GLY A 107 -14.468 2.391 8.173 1.00 33.34 H new ATOM 0 HA3 GLY A 107 -14.745 3.418 9.565 1.00 33.34 H new ATOM 1584 N LEU A 108 -11.907 4.091 8.274 1.00 2.41 N ATOM 1585 CA LEU A 108 -11.086 5.123 7.650 1.00 62.14 C ATOM 1586 C LEU A 108 -10.989 4.904 6.143 1.00 24.32 C ATOM 1587 O LEU A 108 -11.340 5.781 5.353 1.00 12.14 O ATOM 1588 CB LEU A 108 -9.686 5.131 8.267 1.00 50.24 C ATOM 1589 CG LEU A 108 -9.626 5.190 9.793 1.00 2.53 C ATOM 1590 CD1 LEU A 108 -8.208 4.936 10.282 1.00 73.11 C ATOM 1591 CD2 LEU A 108 -10.131 6.535 10.295 1.00 15.12 C ATOM 0 H LEU A 108 -11.377 3.350 8.733 1.00 2.41 H new ATOM 0 HA LEU A 108 -11.561 6.088 7.829 1.00 62.14 H new ATOM 0 HB2 LEU A 108 -9.160 4.235 7.937 1.00 50.24 H new ATOM 0 HB3 LEU A 108 -9.140 5.986 7.869 1.00 50.24 H new ATOM 0 HG LEU A 108 -10.272 4.409 10.193 1.00 2.53 H new ATOM 0 HD11 LEU A 108 -8.185 4.982 11.371 1.00 73.11 H new ATOM 0 HD12 LEU A 108 -7.881 3.949 9.953 1.00 73.11 H new ATOM 0 HD13 LEU A 108 -7.541 5.694 9.873 1.00 73.11 H new ATOM 0 HD21 LEU A 108 -10.081 6.559 11.384 1.00 15.12 H new ATOM 0 HD22 LEU A 108 -9.511 7.332 9.886 1.00 15.12 H new ATOM 0 HD23 LEU A 108 -11.163 6.678 9.976 1.00 15.12 H new ATOM 1603 N LEU A 109 -10.512 3.727 5.751 1.00 3.45 N ATOM 1604 CA LEU A 109 -10.370 3.391 4.339 1.00 54.10 C ATOM 1605 C LEU A 109 -11.647 2.754 3.801 1.00 74.14 C ATOM 1606 O LEU A 109 -12.650 2.658 4.508 1.00 62.12 O ATOM 1607 CB LEU A 109 -9.188 2.441 4.136 1.00 14.53 C ATOM 1608 CG LEU A 109 -7.891 2.822 4.851 1.00 14.12 C ATOM 1609 CD1 LEU A 109 -6.920 1.652 4.854 1.00 33.32 C ATOM 1610 CD2 LEU A 109 -7.259 4.041 4.195 1.00 23.22 C ATOM 0 H LEU A 109 -10.217 2.990 6.391 1.00 3.45 H new ATOM 0 HA LEU A 109 -10.185 4.313 3.788 1.00 54.10 H new ATOM 0 HB2 LEU A 109 -9.485 1.447 4.470 1.00 14.53 H new ATOM 0 HB3 LEU A 109 -8.983 2.371 3.068 1.00 14.53 H new ATOM 0 HG LEU A 109 -8.128 3.073 5.885 1.00 14.12 H new ATOM 0 HD11 LEU A 109 -6.003 1.942 5.367 1.00 33.32 H new ATOM 0 HD12 LEU A 109 -7.372 0.805 5.370 1.00 33.32 H new ATOM 0 HD13 LEU A 109 -6.688 1.369 3.827 1.00 33.32 H new ATOM 0 HD21 LEU A 109 -6.337 4.298 4.717 1.00 23.22 H new ATOM 0 HD22 LEU A 109 -7.035 3.818 3.152 1.00 23.22 H new ATOM 0 HD23 LEU A 109 -7.951 4.882 4.246 1.00 23.22 H new ATOM 1622 N GLU A 110 -11.602 2.318 2.545 1.00 2.53 N ATOM 1623 CA GLU A 110 -12.755 1.689 1.913 1.00 14.05 C ATOM 1624 C GLU A 110 -12.332 0.880 0.691 1.00 40.45 C ATOM 1625 O GLU A 110 -11.774 1.423 -0.264 1.00 41.11 O ATOM 1626 CB GLU A 110 -13.783 2.747 1.508 1.00 53.32 C ATOM 1627 CG GLU A 110 -15.219 2.254 1.564 1.00 13.10 C ATOM 1628 CD GLU A 110 -16.226 3.357 1.297 1.00 23.53 C ATOM 1629 OE1 GLU A 110 -16.583 4.078 2.252 1.00 44.54 O ATOM 1630 OE2 GLU A 110 -16.656 3.497 0.133 1.00 11.13 O ATOM 0 H GLU A 110 -10.779 2.389 1.946 1.00 2.53 H new ATOM 0 HA GLU A 110 -13.208 1.011 2.636 1.00 14.05 H new ATOM 0 HB2 GLU A 110 -13.679 3.612 2.163 1.00 53.32 H new ATOM 0 HB3 GLU A 110 -13.563 3.086 0.496 1.00 53.32 H new ATOM 0 HG2 GLU A 110 -15.355 1.458 0.832 1.00 13.10 H new ATOM 0 HG3 GLU A 110 -15.412 1.820 2.545 1.00 13.10 H new ATOM 1637 N LEU A 111 -12.601 -0.420 0.727 1.00 64.12 N ATOM 1638 CA LEU A 111 -12.248 -1.305 -0.378 1.00 24.33 C ATOM 1639 C LEU A 111 -13.331 -1.295 -1.452 1.00 3.34 C ATOM 1640 O LEU A 111 -14.468 -1.698 -1.206 1.00 41.41 O ATOM 1641 CB LEU A 111 -12.034 -2.731 0.134 1.00 74.13 C ATOM 1642 CG LEU A 111 -11.410 -3.714 -0.858 1.00 1.51 C ATOM 1643 CD1 LEU A 111 -9.924 -3.434 -1.022 1.00 52.14 C ATOM 1644 CD2 LEU A 111 -11.637 -5.148 -0.403 1.00 14.33 C ATOM 0 H LEU A 111 -13.062 -0.885 1.509 1.00 64.12 H new ATOM 0 HA LEU A 111 -11.321 -0.941 -0.821 1.00 24.33 H new ATOM 0 HB2 LEU A 111 -11.399 -2.686 1.019 1.00 74.13 H new ATOM 0 HB3 LEU A 111 -12.997 -3.130 0.453 1.00 74.13 H new ATOM 0 HG LEU A 111 -11.894 -3.581 -1.826 1.00 1.51 H new ATOM 0 HD11 LEU A 111 -9.496 -4.143 -1.731 1.00 52.14 H new ATOM 0 HD12 LEU A 111 -9.784 -2.419 -1.394 1.00 52.14 H new ATOM 0 HD13 LEU A 111 -9.425 -3.539 -0.058 1.00 52.14 H new ATOM 0 HD21 LEU A 111 -11.186 -5.833 -1.121 1.00 14.33 H new ATOM 0 HD22 LEU A 111 -11.180 -5.296 0.576 1.00 14.33 H new ATOM 0 HD23 LEU A 111 -12.707 -5.344 -0.337 1.00 14.33 H new ATOM 1656 N LYS A 112 -12.970 -0.833 -2.644 1.00 63.01 N ATOM 1657 CA LYS A 112 -13.909 -0.773 -3.758 1.00 44.20 C ATOM 1658 C LYS A 112 -14.032 -2.132 -4.440 1.00 12.24 C ATOM 1659 O LYS A 112 -15.135 -2.586 -4.746 1.00 65.50 O ATOM 1660 CB LYS A 112 -13.460 0.280 -4.774 1.00 3.22 C ATOM 1661 CG LYS A 112 -13.896 1.691 -4.420 1.00 52.43 C ATOM 1662 CD LYS A 112 -14.685 2.331 -5.551 1.00 30.33 C ATOM 1663 CE LYS A 112 -13.768 2.836 -6.654 1.00 70.21 C ATOM 1664 NZ LYS A 112 -14.071 4.246 -7.025 1.00 21.11 N ATOM 0 H LYS A 112 -12.033 -0.494 -2.864 1.00 63.01 H new ATOM 0 HA LYS A 112 -14.886 -0.495 -3.362 1.00 44.20 H new ATOM 0 HB2 LYS A 112 -12.373 0.254 -4.855 1.00 3.22 H new ATOM 0 HB3 LYS A 112 -13.859 0.020 -5.754 1.00 3.22 H new ATOM 0 HG2 LYS A 112 -14.506 1.669 -3.517 1.00 52.43 H new ATOM 0 HG3 LYS A 112 -13.019 2.299 -4.197 1.00 52.43 H new ATOM 0 HD2 LYS A 112 -15.386 1.605 -5.963 1.00 30.33 H new ATOM 0 HD3 LYS A 112 -15.276 3.159 -5.160 1.00 30.33 H new ATOM 0 HE2 LYS A 112 -12.731 2.761 -6.327 1.00 70.21 H new ATOM 0 HE3 LYS A 112 -13.872 2.199 -7.532 1.00 70.21 H new ATOM 0 HZ1 LYS A 112 -13.425 4.553 -7.780 1.00 21.11 H new ATOM 0 HZ2 LYS A 112 -15.053 4.313 -7.361 1.00 21.11 H new ATOM 0 HZ3 LYS A 112 -13.948 4.858 -6.193 1.00 21.11 H new ATOM 1678 N LYS A 113 -12.894 -2.777 -4.673 1.00 54.02 N ATOM 1679 CA LYS A 113 -12.874 -4.086 -5.316 1.00 14.42 C ATOM 1680 C LYS A 113 -12.750 -5.199 -4.280 1.00 42.52 C ATOM 1681 O LYS A 113 -13.005 -4.988 -3.095 1.00 72.42 O ATOM 1682 CB LYS A 113 -11.716 -4.170 -6.312 1.00 41.32 C ATOM 1683 CG LYS A 113 -12.138 -4.621 -7.700 1.00 14.04 C ATOM 1684 CD LYS A 113 -11.529 -3.745 -8.781 1.00 4.42 C ATOM 1685 CE LYS A 113 -11.973 -4.181 -10.168 1.00 62.25 C ATOM 1686 NZ LYS A 113 -11.850 -3.079 -11.163 1.00 22.35 N ATOM 0 H LYS A 113 -11.973 -2.415 -4.426 1.00 54.02 H new ATOM 0 HA LYS A 113 -13.815 -4.215 -5.851 1.00 14.42 H new ATOM 0 HB2 LYS A 113 -11.240 -3.192 -6.386 1.00 41.32 H new ATOM 0 HB3 LYS A 113 -10.966 -4.861 -5.927 1.00 41.32 H new ATOM 0 HG2 LYS A 113 -11.834 -5.656 -7.855 1.00 14.04 H new ATOM 0 HG3 LYS A 113 -13.225 -4.593 -7.778 1.00 14.04 H new ATOM 0 HD2 LYS A 113 -11.818 -2.707 -8.615 1.00 4.42 H new ATOM 0 HD3 LYS A 113 -10.442 -3.788 -8.716 1.00 4.42 H new ATOM 0 HE2 LYS A 113 -11.372 -5.031 -10.491 1.00 62.25 H new ATOM 0 HE3 LYS A 113 -13.008 -4.520 -10.128 1.00 62.25 H new ATOM 0 HZ1 LYS A 113 -12.162 -3.417 -12.096 1.00 22.35 H new ATOM 0 HZ2 LYS A 113 -12.444 -2.277 -10.868 1.00 22.35 H new ATOM 0 HZ3 LYS A 113 -10.858 -2.772 -11.221 1.00 22.35 H new ATOM 1700 N GLY A 114 -12.354 -6.383 -4.736 1.00 30.43 N ATOM 1701 CA GLY A 114 -12.201 -7.511 -3.835 1.00 72.11 C ATOM 1702 C GLY A 114 -13.222 -7.500 -2.714 1.00 62.54 C ATOM 1703 O GLY A 114 -14.344 -7.023 -2.890 1.00 24.43 O ATOM 0 H GLY A 114 -12.136 -6.582 -5.713 1.00 30.43 H new ATOM 0 HA2 GLY A 114 -12.296 -8.439 -4.400 1.00 72.11 H new ATOM 0 HA3 GLY A 114 -11.198 -7.498 -3.409 1.00 72.11 H new ATOM 1707 N THR A 115 -12.834 -8.030 -1.558 1.00 12.40 N ATOM 1708 CA THR A 115 -13.724 -8.082 -0.405 1.00 52.00 C ATOM 1709 C THR A 115 -12.934 -8.160 0.896 1.00 31.33 C ATOM 1710 O THR A 115 -11.761 -8.535 0.899 1.00 11.04 O ATOM 1711 CB THR A 115 -14.679 -9.288 -0.486 1.00 65.33 C ATOM 1712 OG1 THR A 115 -15.533 -9.316 0.663 1.00 44.33 O ATOM 1713 CG2 THR A 115 -13.898 -10.591 -0.575 1.00 42.13 C ATOM 0 H THR A 115 -11.909 -8.429 -1.396 1.00 12.40 H new ATOM 0 HA THR A 115 -14.310 -7.163 -0.416 1.00 52.00 H new ATOM 0 HB THR A 115 -15.285 -9.183 -1.386 1.00 65.33 H new ATOM 0 HG1 THR A 115 -16.138 -10.085 0.602 1.00 44.33 H new ATOM 0 HG21 THR A 115 -14.593 -11.429 -0.631 1.00 42.13 H new ATOM 0 HG22 THR A 115 -13.271 -10.579 -1.467 1.00 42.13 H new ATOM 0 HG23 THR A 115 -13.270 -10.700 0.309 1.00 42.13 H new ATOM 1721 N ILE A 116 -13.584 -7.805 2.000 1.00 62.43 N ATOM 1722 CA ILE A 116 -12.941 -7.838 3.308 1.00 53.34 C ATOM 1723 C ILE A 116 -12.839 -9.265 3.835 1.00 51.02 C ATOM 1724 O ILE A 116 -11.935 -9.590 4.603 1.00 24.41 O ATOM 1725 CB ILE A 116 -13.705 -6.978 4.332 1.00 54.34 C ATOM 1726 CG1 ILE A 116 -12.829 -6.705 5.556 1.00 14.00 C ATOM 1727 CG2 ILE A 116 -14.999 -7.666 4.742 1.00 64.44 C ATOM 1728 CD1 ILE A 116 -13.430 -5.704 6.518 1.00 40.22 C ATOM 0 H ILE A 116 -14.555 -7.492 2.014 1.00 62.43 H new ATOM 0 HA ILE A 116 -11.939 -7.429 3.177 1.00 53.34 H new ATOM 0 HB ILE A 116 -13.955 -6.024 3.868 1.00 54.34 H new ATOM 0 HG12 ILE A 116 -12.653 -7.643 6.083 1.00 14.00 H new ATOM 0 HG13 ILE A 116 -11.858 -6.339 5.223 1.00 14.00 H new ATOM 0 HG21 ILE A 116 -15.527 -7.046 5.466 1.00 64.44 H new ATOM 0 HG22 ILE A 116 -15.627 -7.813 3.863 1.00 64.44 H new ATOM 0 HG23 ILE A 116 -14.771 -8.633 5.191 1.00 64.44 H new ATOM 0 HD11 ILE A 116 -12.755 -5.559 7.361 1.00 40.22 H new ATOM 0 HD12 ILE A 116 -13.581 -4.753 6.007 1.00 40.22 H new ATOM 0 HD13 ILE A 116 -14.388 -6.077 6.880 1.00 40.22 H new ATOM 1740 N ALA A 117 -13.772 -10.113 3.415 1.00 70.21 N ATOM 1741 CA ALA A 117 -13.785 -11.507 3.841 1.00 1.04 C ATOM 1742 C ALA A 117 -12.513 -12.226 3.406 1.00 23.11 C ATOM 1743 O ALA A 117 -12.219 -13.326 3.873 1.00 33.05 O ATOM 1744 CB ALA A 117 -15.011 -12.217 3.287 1.00 20.20 C ATOM 0 H ALA A 117 -14.529 -9.859 2.780 1.00 70.21 H new ATOM 0 HA ALA A 117 -13.828 -11.528 4.930 1.00 1.04 H new ATOM 0 HB1 ALA A 117 -15.008 -13.257 3.613 1.00 20.20 H new ATOM 0 HB2 ALA A 117 -15.912 -11.725 3.652 1.00 20.20 H new ATOM 0 HB3 ALA A 117 -14.993 -12.178 2.198 1.00 20.20 H new ATOM 1750 N ALA A 118 -11.761 -11.598 2.508 1.00 51.21 N ATOM 1751 CA ALA A 118 -10.520 -12.178 2.011 1.00 43.42 C ATOM 1752 C ALA A 118 -9.332 -11.747 2.865 1.00 40.23 C ATOM 1753 O ALA A 118 -8.278 -12.383 2.846 1.00 24.43 O ATOM 1754 CB ALA A 118 -10.298 -11.784 0.558 1.00 40.11 C ATOM 0 H ALA A 118 -11.990 -10.687 2.110 1.00 51.21 H new ATOM 0 HA ALA A 118 -10.604 -13.263 2.073 1.00 43.42 H new ATOM 0 HB1 ALA A 118 -9.367 -12.224 0.200 1.00 40.11 H new ATOM 0 HB2 ALA A 118 -11.128 -12.147 -0.048 1.00 40.11 H new ATOM 0 HB3 ALA A 118 -10.239 -10.698 0.480 1.00 40.11 H new ATOM 1760 N LEU A 119 -9.509 -10.663 3.612 1.00 42.43 N ATOM 1761 CA LEU A 119 -8.451 -10.146 4.473 1.00 44.12 C ATOM 1762 C LEU A 119 -8.448 -10.861 5.820 1.00 4.54 C ATOM 1763 O LEU A 119 -7.556 -10.652 6.643 1.00 70.15 O ATOM 1764 CB LEU A 119 -8.625 -8.641 4.681 1.00 12.43 C ATOM 1765 CG LEU A 119 -8.949 -7.823 3.430 1.00 10.15 C ATOM 1766 CD1 LEU A 119 -9.307 -6.393 3.805 1.00 24.03 C ATOM 1767 CD2 LEU A 119 -7.777 -7.845 2.461 1.00 45.33 C ATOM 0 H LEU A 119 -10.375 -10.125 3.639 1.00 42.43 H new ATOM 0 HA LEU A 119 -7.495 -10.330 3.983 1.00 44.12 H new ATOM 0 HB2 LEU A 119 -9.421 -8.485 5.409 1.00 12.43 H new ATOM 0 HB3 LEU A 119 -7.709 -8.247 5.121 1.00 12.43 H new ATOM 0 HG LEU A 119 -9.810 -8.274 2.937 1.00 10.15 H new ATOM 0 HD11 LEU A 119 -9.534 -5.826 2.902 1.00 24.03 H new ATOM 0 HD12 LEU A 119 -10.178 -6.396 4.461 1.00 24.03 H new ATOM 0 HD13 LEU A 119 -8.466 -5.931 4.321 1.00 24.03 H new ATOM 0 HD21 LEU A 119 -8.025 -7.258 1.577 1.00 45.33 H new ATOM 0 HD22 LEU A 119 -6.897 -7.419 2.944 1.00 45.33 H new ATOM 0 HD23 LEU A 119 -7.567 -8.873 2.167 1.00 45.33 H new ATOM 1779 N ALA A 120 -9.450 -11.705 6.039 1.00 71.45 N ATOM 1780 CA ALA A 120 -9.561 -12.454 7.284 1.00 24.22 C ATOM 1781 C ALA A 120 -8.252 -13.164 7.616 1.00 75.21 C ATOM 1782 O ALA A 120 -7.629 -12.918 8.648 1.00 2.43 O ATOM 1783 CB ALA A 120 -10.701 -13.458 7.197 1.00 2.12 C ATOM 0 H ALA A 120 -10.198 -11.887 5.369 1.00 71.45 H new ATOM 0 HA ALA A 120 -9.775 -11.748 8.086 1.00 24.22 H new ATOM 0 HB1 ALA A 120 -10.772 -14.010 8.134 1.00 2.12 H new ATOM 0 HB2 ALA A 120 -11.637 -12.930 7.015 1.00 2.12 H new ATOM 0 HB3 ALA A 120 -10.512 -14.154 6.379 1.00 2.12 H new ATOM 1789 N PRO A 121 -7.826 -14.068 6.721 1.00 5.05 N ATOM 1790 CA PRO A 121 -6.587 -14.832 6.898 1.00 72.50 C ATOM 1791 C PRO A 121 -5.343 -13.962 6.758 1.00 14.41 C ATOM 1792 O PRO A 121 -4.303 -14.248 7.352 1.00 54.22 O ATOM 1793 CB PRO A 121 -6.645 -15.867 5.771 1.00 13.21 C ATOM 1794 CG PRO A 121 -7.507 -15.243 4.728 1.00 3.30 C ATOM 1795 CD PRO A 121 -8.518 -14.413 5.469 1.00 54.23 C ATOM 0 HA PRO A 121 -6.517 -15.269 7.894 1.00 72.50 H new ATOM 0 HB2 PRO A 121 -5.650 -16.086 5.383 1.00 13.21 H new ATOM 0 HB3 PRO A 121 -7.066 -16.810 6.120 1.00 13.21 H new ATOM 0 HG2 PRO A 121 -6.916 -14.626 4.051 1.00 3.30 H new ATOM 0 HG3 PRO A 121 -7.997 -16.004 4.120 1.00 3.30 H new ATOM 0 HD2 PRO A 121 -8.797 -13.522 4.906 1.00 54.23 H new ATOM 0 HD3 PRO A 121 -9.435 -14.971 5.658 1.00 54.23 H new ATOM 1803 N TYR A 122 -5.457 -12.898 5.971 1.00 72.05 N ATOM 1804 CA TYR A 122 -4.341 -11.986 5.751 1.00 24.34 C ATOM 1805 C TYR A 122 -4.525 -10.698 6.548 1.00 61.13 C ATOM 1806 O TYR A 122 -4.456 -9.600 5.997 1.00 1.32 O ATOM 1807 CB TYR A 122 -4.203 -11.663 4.263 1.00 71.44 C ATOM 1808 CG TYR A 122 -4.552 -12.823 3.357 1.00 54.42 C ATOM 1809 CD1 TYR A 122 -3.822 -14.004 3.394 1.00 10.12 C ATOM 1810 CD2 TYR A 122 -5.614 -12.737 2.464 1.00 1.32 C ATOM 1811 CE1 TYR A 122 -4.137 -15.065 2.568 1.00 73.02 C ATOM 1812 CE2 TYR A 122 -5.937 -13.793 1.635 1.00 33.52 C ATOM 1813 CZ TYR A 122 -5.196 -14.955 1.690 1.00 22.23 C ATOM 1814 OH TYR A 122 -5.514 -16.011 0.867 1.00 41.54 O ATOM 0 H TYR A 122 -6.312 -12.646 5.475 1.00 72.05 H new ATOM 0 HA TYR A 122 -3.431 -12.478 6.094 1.00 24.34 H new ATOM 0 HB2 TYR A 122 -4.848 -10.818 4.022 1.00 71.44 H new ATOM 0 HB3 TYR A 122 -3.179 -11.350 4.061 1.00 71.44 H new ATOM 0 HD1 TYR A 122 -2.993 -14.094 4.081 1.00 10.12 H new ATOM 0 HD2 TYR A 122 -6.196 -11.829 2.418 1.00 1.32 H new ATOM 0 HE1 TYR A 122 -3.558 -15.976 2.609 1.00 73.02 H new ATOM 0 HE2 TYR A 122 -6.765 -13.709 0.947 1.00 33.52 H new ATOM 0 HH TYR A 122 -6.285 -15.772 0.311 1.00 41.54 H new ATOM 1824 N ALA A 123 -4.759 -10.842 7.848 1.00 71.41 N ATOM 1825 CA ALA A 123 -4.951 -9.692 8.722 1.00 43.31 C ATOM 1826 C ALA A 123 -3.642 -9.286 9.391 1.00 64.41 C ATOM 1827 O ALA A 123 -3.441 -8.119 9.724 1.00 23.05 O ATOM 1828 CB ALA A 123 -6.010 -9.996 9.771 1.00 24.42 C ATOM 0 H ALA A 123 -4.820 -11.745 8.319 1.00 71.41 H new ATOM 0 HA ALA A 123 -5.291 -8.856 8.111 1.00 43.31 H new ATOM 0 HB1 ALA A 123 -6.142 -9.128 10.417 1.00 24.42 H new ATOM 0 HB2 ALA A 123 -6.954 -10.229 9.278 1.00 24.42 H new ATOM 0 HB3 ALA A 123 -5.693 -10.849 10.371 1.00 24.42 H new ATOM 1834 N GLN A 124 -2.756 -10.258 9.584 1.00 24.12 N ATOM 1835 CA GLN A 124 -1.466 -10.001 10.215 1.00 34.20 C ATOM 1836 C GLN A 124 -0.395 -9.714 9.168 1.00 75.12 C ATOM 1837 O GLN A 124 0.444 -8.833 9.350 1.00 52.33 O ATOM 1838 CB GLN A 124 -1.049 -11.195 11.075 1.00 64.42 C ATOM 1839 CG GLN A 124 -1.468 -11.073 12.531 1.00 61.11 C ATOM 1840 CD GLN A 124 -0.599 -11.898 13.460 1.00 73.33 C ATOM 1841 OE1 GLN A 124 0.507 -11.493 13.816 1.00 25.45 O ATOM 1842 NE2 GLN A 124 -1.097 -13.063 13.857 1.00 34.41 N ATOM 0 H GLN A 124 -2.907 -11.230 9.313 1.00 24.12 H new ATOM 0 HA GLN A 124 -1.570 -9.122 10.852 1.00 34.20 H new ATOM 0 HB2 GLN A 124 -1.483 -12.103 10.656 1.00 64.42 H new ATOM 0 HB3 GLN A 124 0.034 -11.307 11.026 1.00 64.42 H new ATOM 0 HG2 GLN A 124 -1.423 -10.026 12.832 1.00 61.11 H new ATOM 0 HG3 GLN A 124 -2.506 -11.390 12.634 1.00 61.11 H new ATOM 0 HE21 GLN A 124 -2.019 -13.359 13.537 1.00 34.41 H new ATOM 0 HE22 GLN A 124 -0.558 -13.662 14.482 1.00 34.41 H new ATOM 1851 N ALA A 125 -0.431 -10.465 8.071 1.00 3.55 N ATOM 1852 CA ALA A 125 0.536 -10.289 6.994 1.00 33.45 C ATOM 1853 C ALA A 125 0.801 -8.811 6.730 1.00 74.24 C ATOM 1854 O ALA A 125 1.867 -8.440 6.240 1.00 73.04 O ATOM 1855 CB ALA A 125 0.045 -10.975 5.728 1.00 54.20 C ATOM 0 H ALA A 125 -1.119 -11.200 7.905 1.00 3.55 H new ATOM 0 HA ALA A 125 1.475 -10.749 7.302 1.00 33.45 H new ATOM 0 HB1 ALA A 125 0.776 -10.836 4.932 1.00 54.20 H new ATOM 0 HB2 ALA A 125 -0.086 -12.040 5.919 1.00 54.20 H new ATOM 0 HB3 ALA A 125 -0.908 -10.541 5.425 1.00 54.20 H new ATOM 1861 N ALA A 126 -0.177 -7.972 7.056 1.00 3.12 N ATOM 1862 CA ALA A 126 -0.048 -6.534 6.855 1.00 71.05 C ATOM 1863 C ALA A 126 1.170 -5.984 7.588 1.00 2.41 C ATOM 1864 O ALA A 126 1.977 -5.256 7.010 1.00 13.31 O ATOM 1865 CB ALA A 126 -1.311 -5.821 7.316 1.00 62.43 C ATOM 0 H ALA A 126 -1.067 -8.263 7.460 1.00 3.12 H new ATOM 0 HA ALA A 126 0.090 -6.352 5.789 1.00 71.05 H new ATOM 0 HB1 ALA A 126 -1.201 -4.748 7.160 1.00 62.43 H new ATOM 0 HB2 ALA A 126 -2.164 -6.185 6.743 1.00 62.43 H new ATOM 0 HB3 ALA A 126 -1.474 -6.019 8.375 1.00 62.43 H new ATOM 1871 N GLN A 127 1.296 -6.336 8.864 1.00 42.35 N ATOM 1872 CA GLN A 127 2.416 -5.875 9.676 1.00 41.14 C ATOM 1873 C GLN A 127 3.726 -5.969 8.900 1.00 20.32 C ATOM 1874 O GLN A 127 4.600 -5.113 9.034 1.00 31.41 O ATOM 1875 CB GLN A 127 2.512 -6.695 10.963 1.00 34.41 C ATOM 1876 CG GLN A 127 1.791 -6.063 12.143 1.00 53.25 C ATOM 1877 CD GLN A 127 2.637 -5.027 12.856 1.00 12.02 C ATOM 1878 OE1 GLN A 127 3.796 -5.277 13.188 1.00 31.12 O ATOM 1879 NE2 GLN A 127 2.061 -3.855 13.096 1.00 14.03 N ATOM 0 H GLN A 127 0.637 -6.938 9.357 1.00 42.35 H new ATOM 0 HA GLN A 127 2.241 -4.830 9.932 1.00 41.14 H new ATOM 0 HB2 GLN A 127 2.097 -7.687 10.784 1.00 34.41 H new ATOM 0 HB3 GLN A 127 3.563 -6.830 11.220 1.00 34.41 H new ATOM 0 HG2 GLN A 127 0.870 -5.597 11.794 1.00 53.25 H new ATOM 0 HG3 GLN A 127 1.506 -6.842 12.850 1.00 53.25 H new ATOM 0 HE21 GLN A 127 1.098 -3.691 12.803 1.00 14.03 H new ATOM 0 HE22 GLN A 127 2.582 -3.119 13.573 1.00 14.03 H new ATOM 1888 N GLU A 128 3.854 -7.015 8.090 1.00 64.40 N ATOM 1889 CA GLU A 128 5.059 -7.221 7.294 1.00 30.24 C ATOM 1890 C GLU A 128 5.115 -6.240 6.127 1.00 14.54 C ATOM 1891 O GLU A 128 6.153 -5.634 5.860 1.00 41.42 O ATOM 1892 CB GLU A 128 5.111 -8.658 6.770 1.00 41.43 C ATOM 1893 CG GLU A 128 5.330 -9.696 7.858 1.00 55.53 C ATOM 1894 CD GLU A 128 6.664 -9.533 8.560 1.00 72.15 C ATOM 1895 OE1 GLU A 128 7.690 -9.959 7.988 1.00 34.02 O ATOM 1896 OE2 GLU A 128 6.683 -8.981 9.679 1.00 14.12 O ATOM 0 H GLU A 128 3.139 -7.732 7.967 1.00 64.40 H new ATOM 0 HA GLU A 128 5.922 -7.044 7.936 1.00 30.24 H new ATOM 0 HB2 GLU A 128 4.179 -8.880 6.250 1.00 41.43 H new ATOM 0 HB3 GLU A 128 5.913 -8.739 6.036 1.00 41.43 H new ATOM 0 HG2 GLU A 128 4.527 -9.623 8.591 1.00 55.53 H new ATOM 0 HG3 GLU A 128 5.273 -10.693 7.421 1.00 55.53 H new ATOM 1903 N LEU A 129 3.991 -6.088 5.436 1.00 54.13 N ATOM 1904 CA LEU A 129 3.910 -5.180 4.296 1.00 31.44 C ATOM 1905 C LEU A 129 4.304 -3.763 4.700 1.00 20.21 C ATOM 1906 O LEU A 129 5.246 -3.190 4.153 1.00 53.43 O ATOM 1907 CB LEU A 129 2.494 -5.183 3.717 1.00 44.33 C ATOM 1908 CG LEU A 129 2.267 -6.086 2.504 1.00 21.54 C ATOM 1909 CD1 LEU A 129 1.011 -6.924 2.691 1.00 44.01 C ATOM 1910 CD2 LEU A 129 2.173 -5.258 1.231 1.00 5.25 C ATOM 0 H LEU A 129 3.123 -6.581 5.645 1.00 54.13 H new ATOM 0 HA LEU A 129 4.608 -5.528 3.535 1.00 31.44 H new ATOM 0 HB2 LEU A 129 1.802 -5.484 4.504 1.00 44.33 H new ATOM 0 HB3 LEU A 129 2.235 -4.162 3.438 1.00 44.33 H new ATOM 0 HG LEU A 129 3.119 -6.759 2.412 1.00 21.54 H new ATOM 0 HD11 LEU A 129 0.865 -7.561 1.818 1.00 44.01 H new ATOM 0 HD12 LEU A 129 1.117 -7.546 3.580 1.00 44.01 H new ATOM 0 HD13 LEU A 129 0.149 -6.267 2.809 1.00 44.01 H new ATOM 0 HD21 LEU A 129 2.011 -5.918 0.379 1.00 5.25 H new ATOM 0 HD22 LEU A 129 1.340 -4.559 1.312 1.00 5.25 H new ATOM 0 HD23 LEU A 129 3.100 -4.702 1.089 1.00 5.25 H new ATOM 1922 N VAL A 130 3.578 -3.204 5.663 1.00 22.34 N ATOM 1923 CA VAL A 130 3.854 -1.855 6.143 1.00 32.44 C ATOM 1924 C VAL A 130 5.306 -1.715 6.585 1.00 21.43 C ATOM 1925 O VAL A 130 5.981 -0.745 6.240 1.00 23.42 O ATOM 1926 CB VAL A 130 2.932 -1.479 7.319 1.00 44.22 C ATOM 1927 CG1 VAL A 130 3.091 -2.471 8.461 1.00 41.30 C ATOM 1928 CG2 VAL A 130 3.222 -0.061 7.789 1.00 74.22 C ATOM 0 H VAL A 130 2.794 -3.664 6.126 1.00 22.34 H new ATOM 0 HA VAL A 130 3.664 -1.177 5.311 1.00 32.44 H new ATOM 0 HB VAL A 130 1.898 -1.520 6.976 1.00 44.22 H new ATOM 0 HG11 VAL A 130 2.432 -2.189 9.282 1.00 41.30 H new ATOM 0 HG12 VAL A 130 2.830 -3.471 8.113 1.00 41.30 H new ATOM 0 HG13 VAL A 130 4.125 -2.465 8.807 1.00 41.30 H new ATOM 0 HG21 VAL A 130 2.562 0.189 8.620 1.00 74.22 H new ATOM 0 HG22 VAL A 130 4.260 0.009 8.116 1.00 74.22 H new ATOM 0 HG23 VAL A 130 3.052 0.636 6.969 1.00 74.22 H new ATOM 1938 N LYS A 131 5.782 -2.691 7.351 1.00 23.13 N ATOM 1939 CA LYS A 131 7.156 -2.679 7.840 1.00 31.43 C ATOM 1940 C LYS A 131 8.118 -2.219 6.750 1.00 52.22 C ATOM 1941 O LYS A 131 8.761 -1.176 6.875 1.00 74.32 O ATOM 1942 CB LYS A 131 7.556 -4.072 8.333 1.00 74.23 C ATOM 1943 CG LYS A 131 8.841 -4.086 9.142 1.00 42.45 C ATOM 1944 CD LYS A 131 8.599 -3.665 10.581 1.00 14.23 C ATOM 1945 CE LYS A 131 9.867 -3.129 11.227 1.00 44.03 C ATOM 1946 NZ LYS A 131 9.826 -3.244 12.711 1.00 61.42 N ATOM 0 H LYS A 131 5.236 -3.501 7.647 1.00 23.13 H new ATOM 0 HA LYS A 131 7.213 -1.976 8.671 1.00 31.43 H new ATOM 0 HB2 LYS A 131 6.749 -4.478 8.942 1.00 74.23 H new ATOM 0 HB3 LYS A 131 7.670 -4.733 7.474 1.00 74.23 H new ATOM 0 HG2 LYS A 131 9.273 -5.086 9.123 1.00 42.45 H new ATOM 0 HG3 LYS A 131 9.568 -3.416 8.683 1.00 42.45 H new ATOM 0 HD2 LYS A 131 7.823 -2.900 10.612 1.00 14.23 H new ATOM 0 HD3 LYS A 131 8.230 -4.516 11.153 1.00 14.23 H new ATOM 0 HE2 LYS A 131 10.729 -3.676 10.844 1.00 44.03 H new ATOM 0 HE3 LYS A 131 10.003 -2.084 10.948 1.00 44.03 H new ATOM 0 HZ1 LYS A 131 10.708 -2.868 13.113 1.00 61.42 H new ATOM 0 HZ2 LYS A 131 9.019 -2.701 13.079 1.00 61.42 H new ATOM 0 HZ3 LYS A 131 9.722 -4.243 12.979 1.00 61.42 H new ATOM 1960 N VAL A 132 8.211 -3.002 5.680 1.00 52.25 N ATOM 1961 CA VAL A 132 9.092 -2.673 4.566 1.00 42.42 C ATOM 1962 C VAL A 132 8.718 -1.331 3.947 1.00 51.33 C ATOM 1963 O VAL A 132 9.586 -0.515 3.636 1.00 74.43 O ATOM 1964 CB VAL A 132 9.048 -3.759 3.475 1.00 71.11 C ATOM 1965 CG1 VAL A 132 9.898 -3.352 2.281 1.00 23.41 C ATOM 1966 CG2 VAL A 132 9.507 -5.096 4.036 1.00 21.23 C ATOM 0 H VAL A 132 7.687 -3.869 5.561 1.00 52.25 H new ATOM 0 HA VAL A 132 10.103 -2.615 4.969 1.00 42.42 H new ATOM 0 HB VAL A 132 8.018 -3.868 3.136 1.00 71.11 H new ATOM 0 HG11 VAL A 132 9.854 -4.132 1.521 1.00 23.41 H new ATOM 0 HG12 VAL A 132 9.519 -2.418 1.866 1.00 23.41 H new ATOM 0 HG13 VAL A 132 10.931 -3.214 2.600 1.00 23.41 H new ATOM 0 HG21 VAL A 132 9.470 -5.852 3.252 1.00 21.23 H new ATOM 0 HG22 VAL A 132 10.529 -5.005 4.404 1.00 21.23 H new ATOM 0 HG23 VAL A 132 8.852 -5.391 4.856 1.00 21.23 H new ATOM 1976 N ALA A 133 7.420 -1.108 3.771 1.00 55.10 N ATOM 1977 CA ALA A 133 6.930 0.136 3.191 1.00 15.54 C ATOM 1978 C ALA A 133 7.693 1.336 3.741 1.00 4.30 C ATOM 1979 O ALA A 133 8.031 2.261 3.001 1.00 24.35 O ATOM 1980 CB ALA A 133 5.439 0.291 3.456 1.00 61.02 C ATOM 0 H ALA A 133 6.689 -1.773 4.022 1.00 55.10 H new ATOM 0 HA ALA A 133 7.095 0.095 2.114 1.00 15.54 H new ATOM 0 HB1 ALA A 133 5.087 1.224 3.017 1.00 61.02 H new ATOM 0 HB2 ALA A 133 4.901 -0.546 3.010 1.00 61.02 H new ATOM 0 HB3 ALA A 133 5.260 0.305 4.531 1.00 61.02 H new ATOM 1986 N ARG A 134 7.962 1.315 5.042 1.00 12.45 N ATOM 1987 CA ARG A 134 8.684 2.403 5.691 1.00 2.01 C ATOM 1988 C ARG A 134 10.141 2.433 5.239 1.00 4.33 C ATOM 1989 O ARG A 134 10.668 3.486 4.881 1.00 12.33 O ATOM 1990 CB ARG A 134 8.614 2.255 7.212 1.00 33.21 C ATOM 1991 CG ARG A 134 7.216 2.447 7.779 1.00 63.44 C ATOM 1992 CD ARG A 134 7.181 2.182 9.276 1.00 41.43 C ATOM 1993 NE ARG A 134 7.546 3.366 10.049 1.00 4.21 N ATOM 1994 CZ ARG A 134 8.800 3.704 10.328 1.00 25.41 C ATOM 1995 NH1 ARG A 134 9.804 2.951 9.899 1.00 41.02 N ATOM 1996 NH2 ARG A 134 9.053 4.796 11.038 1.00 53.25 N ATOM 0 H ARG A 134 7.691 0.556 5.668 1.00 12.45 H new ATOM 0 HA ARG A 134 8.212 3.342 5.402 1.00 2.01 H new ATOM 0 HB2 ARG A 134 8.977 1.265 7.489 1.00 33.21 H new ATOM 0 HB3 ARG A 134 9.286 2.981 7.671 1.00 33.21 H new ATOM 0 HG2 ARG A 134 6.878 3.464 7.580 1.00 63.44 H new ATOM 0 HG3 ARG A 134 6.522 1.776 7.273 1.00 63.44 H new ATOM 0 HD2 ARG A 134 6.182 1.855 9.563 1.00 41.43 H new ATOM 0 HD3 ARG A 134 7.864 1.367 9.516 1.00 41.43 H new ATOM 0 HE ARG A 134 6.797 3.966 10.394 1.00 4.21 H new ATOM 0 HH11 ARG A 134 9.614 2.110 9.354 1.00 41.02 H new ATOM 0 HH12 ARG A 134 10.766 3.213 10.115 1.00 41.02 H new ATOM 0 HH21 ARG A 134 8.284 5.378 11.371 1.00 53.25 H new ATOM 0 HH22 ARG A 134 10.017 5.054 11.251 1.00 53.25 H new ATOM 2010 N GLU A 135 10.786 1.271 5.260 1.00 43.03 N ATOM 2011 CA GLU A 135 12.183 1.166 4.853 1.00 32.14 C ATOM 2012 C GLU A 135 12.444 1.979 3.589 1.00 62.22 C ATOM 2013 O GLU A 135 13.386 2.769 3.529 1.00 11.50 O ATOM 2014 CB GLU A 135 12.560 -0.298 4.619 1.00 72.43 C ATOM 2015 CG GLU A 135 12.681 -1.108 5.898 1.00 33.55 C ATOM 2016 CD GLU A 135 14.000 -1.849 5.997 1.00 31.55 C ATOM 2017 OE1 GLU A 135 14.565 -2.199 4.941 1.00 64.24 O ATOM 2018 OE2 GLU A 135 14.467 -2.079 7.133 1.00 72.21 O ATOM 0 H GLU A 135 10.364 0.390 5.554 1.00 43.03 H new ATOM 0 HA GLU A 135 12.800 1.568 5.656 1.00 32.14 H new ATOM 0 HB2 GLU A 135 11.810 -0.759 3.977 1.00 72.43 H new ATOM 0 HB3 GLU A 135 13.508 -0.339 4.082 1.00 72.43 H new ATOM 0 HG2 GLU A 135 12.577 -0.443 6.756 1.00 33.55 H new ATOM 0 HG3 GLU A 135 11.861 -1.825 5.949 1.00 33.55 H new ATOM 2025 N VAL A 136 11.604 1.778 2.579 1.00 75.12 N ATOM 2026 CA VAL A 136 11.742 2.492 1.315 1.00 22.31 C ATOM 2027 C VAL A 136 11.709 4.001 1.530 1.00 64.32 C ATOM 2028 O VAL A 136 12.615 4.718 1.106 1.00 51.03 O ATOM 2029 CB VAL A 136 10.629 2.101 0.325 1.00 63.24 C ATOM 2030 CG1 VAL A 136 10.880 2.731 -1.037 1.00 1.43 C ATOM 2031 CG2 VAL A 136 10.526 0.587 0.210 1.00 45.55 C ATOM 0 H VAL A 136 10.820 1.126 2.611 1.00 75.12 H new ATOM 0 HA VAL A 136 12.707 2.209 0.895 1.00 22.31 H new ATOM 0 HB VAL A 136 9.680 2.479 0.705 1.00 63.24 H new ATOM 0 HG11 VAL A 136 10.083 2.444 -1.723 1.00 1.43 H new ATOM 0 HG12 VAL A 136 10.899 3.816 -0.938 1.00 1.43 H new ATOM 0 HG13 VAL A 136 11.837 2.385 -1.427 1.00 1.43 H new ATOM 0 HG21 VAL A 136 9.735 0.329 -0.494 1.00 45.55 H new ATOM 0 HG22 VAL A 136 11.474 0.184 -0.146 1.00 45.55 H new ATOM 0 HG23 VAL A 136 10.295 0.163 1.187 1.00 45.55 H new