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= 0.27 X(o=0.27,f=0) USER MOD Single : A 19 TYR OH : rot -2:sc= 0.0815 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.325 K(o=0.33,f=-0.74) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 165:sc= -0.173 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 -60:sc= 0.569 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.221) USER MOD Single : A 64 HIS : no HD1:sc= -0.0647 X(o=-0.065,f=-0.0088) 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= -0.473 K(o=-0.47,f=-2.8!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ -169:sc= -0.215 (180deg=-0.257) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot -14:sc= 0.265 USER MOD Single : A 124 GLN : amide:sc=-0.00141 X(o=-0.0014,f=0) USER MOD Single : A 127 GLN : amide:sc= -0.215 K(o=-0.22,f=-1.4) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 11 3.560 8.130 -3.732 1.00 54.11 N ATOM 118 CA PHE A 11 2.891 7.158 -4.589 1.00 71.00 C ATOM 119 C PHE A 11 3.394 7.262 -6.026 1.00 50.12 C ATOM 120 O PHE A 11 2.614 7.200 -6.976 1.00 72.42 O ATOM 121 CB PHE A 11 1.376 7.371 -4.551 1.00 72.34 C ATOM 122 CG PHE A 11 0.757 7.039 -3.224 1.00 2.14 C ATOM 123 CD1 PHE A 11 0.332 5.751 -2.944 1.00 62.53 C ATOM 124 CD2 PHE A 11 0.601 8.016 -2.254 1.00 2.14 C ATOM 125 CE1 PHE A 11 -0.238 5.444 -1.724 1.00 75.43 C ATOM 126 CE2 PHE A 11 0.032 7.715 -1.030 1.00 55.04 C ATOM 127 CZ PHE A 11 -0.387 6.427 -0.765 1.00 74.32 C ATOM 0 HA PHE A 11 3.121 6.161 -4.213 1.00 71.00 H new ATOM 0 HB2 PHE A 11 1.157 8.411 -4.795 1.00 72.34 H new ATOM 0 HB3 PHE A 11 0.911 6.758 -5.323 1.00 72.34 H new ATOM 0 HD1 PHE A 11 0.448 4.977 -3.689 1.00 62.53 H new ATOM 0 HD2 PHE A 11 0.928 9.025 -2.456 1.00 2.14 H new ATOM 0 HE1 PHE A 11 -0.567 4.436 -1.520 1.00 75.43 H new ATOM 0 HE2 PHE A 11 -0.084 8.486 -0.283 1.00 55.04 H new ATOM 0 HZ PHE A 11 -0.831 6.188 0.190 1.00 74.32 H new ATOM 137 N THR A 12 4.706 7.423 -6.177 1.00 12.03 N ATOM 138 CA THR A 12 5.314 7.538 -7.496 1.00 23.23 C ATOM 139 C THR A 12 5.825 6.187 -7.986 1.00 4.14 C ATOM 140 O THR A 12 6.153 5.311 -7.186 1.00 71.21 O ATOM 141 CB THR A 12 6.481 8.543 -7.491 1.00 4.15 C ATOM 142 OG1 THR A 12 7.423 8.196 -6.469 1.00 73.54 O ATOM 143 CG2 THR A 12 5.974 9.959 -7.259 1.00 61.21 C ATOM 0 H THR A 12 5.367 7.477 -5.402 1.00 12.03 H new ATOM 0 HA THR A 12 4.537 7.897 -8.171 1.00 23.23 H new ATOM 0 HB THR A 12 6.970 8.503 -8.464 1.00 4.15 H new ATOM 0 HG1 THR A 12 8.163 8.839 -6.474 1.00 73.54 H new ATOM 0 HG21 THR A 12 6.816 10.651 -7.259 1.00 61.21 H new ATOM 0 HG22 THR A 12 5.279 10.232 -8.054 1.00 61.21 H new ATOM 0 HG23 THR A 12 5.463 10.010 -6.297 1.00 61.21 H new ATOM 151 N GLU A 13 5.890 6.026 -9.303 1.00 51.21 N ATOM 152 CA GLU A 13 6.361 4.781 -9.898 1.00 32.20 C ATOM 153 C GLU A 13 7.651 4.313 -9.230 1.00 34.21 C ATOM 154 O GLU A 13 7.847 3.119 -9.004 1.00 4.44 O ATOM 155 CB GLU A 13 6.587 4.961 -11.401 1.00 22.03 C ATOM 156 CG GLU A 13 6.299 3.710 -12.213 1.00 54.22 C ATOM 157 CD GLU A 13 7.133 3.630 -13.476 1.00 64.53 C ATOM 158 OE1 GLU A 13 8.351 3.896 -13.402 1.00 32.23 O ATOM 159 OE2 GLU A 13 6.568 3.301 -14.540 1.00 65.23 O ATOM 0 H GLU A 13 5.623 6.742 -9.979 1.00 51.21 H new ATOM 0 HA GLU A 13 5.595 4.021 -9.742 1.00 32.20 H new ATOM 0 HB2 GLU A 13 5.953 5.772 -11.761 1.00 22.03 H new ATOM 0 HB3 GLU A 13 7.620 5.265 -11.571 1.00 22.03 H new ATOM 0 HG2 GLU A 13 6.491 2.830 -11.599 1.00 54.22 H new ATOM 0 HG3 GLU A 13 5.242 3.689 -12.478 1.00 54.22 H new ATOM 166 N ALA A 14 8.527 5.263 -8.919 1.00 73.22 N ATOM 167 CA ALA A 14 9.798 4.949 -8.276 1.00 53.02 C ATOM 168 C ALA A 14 9.579 4.216 -6.957 1.00 45.44 C ATOM 169 O ALA A 14 10.054 3.096 -6.774 1.00 4.05 O ATOM 170 CB ALA A 14 10.602 6.221 -8.049 1.00 60.34 C ATOM 0 H ALA A 14 8.380 6.256 -9.102 1.00 73.22 H new ATOM 0 HA ALA A 14 10.360 4.290 -8.938 1.00 53.02 H new ATOM 0 HB1 ALA A 14 11.548 5.972 -7.568 1.00 60.34 H new ATOM 0 HB2 ALA A 14 10.797 6.704 -9.007 1.00 60.34 H new ATOM 0 HB3 ALA A 14 10.037 6.899 -7.409 1.00 60.34 H new ATOM 176 N TRP A 15 8.859 4.856 -6.043 1.00 61.32 N ATOM 177 CA TRP A 15 8.579 4.264 -4.739 1.00 72.24 C ATOM 178 C TRP A 15 7.777 2.975 -4.888 1.00 52.24 C ATOM 179 O TRP A 15 7.995 2.010 -4.157 1.00 13.33 O ATOM 180 CB TRP A 15 7.817 5.255 -3.859 1.00 13.30 C ATOM 181 CG TRP A 15 7.635 4.779 -2.449 1.00 73.12 C ATOM 182 CD1 TRP A 15 8.442 5.051 -1.382 1.00 32.24 C ATOM 183 CD2 TRP A 15 6.578 3.947 -1.956 1.00 4.41 C ATOM 184 NE1 TRP A 15 7.951 4.438 -0.255 1.00 32.14 N ATOM 185 CE2 TRP A 15 6.809 3.755 -0.580 1.00 14.42 C ATOM 186 CE3 TRP A 15 5.461 3.348 -2.542 1.00 33.43 C ATOM 187 CZ2 TRP A 15 5.962 2.989 0.217 1.00 23.51 C ATOM 188 CZ3 TRP A 15 4.621 2.588 -1.750 1.00 60.43 C ATOM 189 CH2 TRP A 15 4.875 2.413 -0.383 1.00 11.01 C ATOM 0 H TRP A 15 8.459 5.784 -6.180 1.00 61.32 H new ATOM 0 HA TRP A 15 9.530 4.025 -4.264 1.00 72.24 H new ATOM 0 HB2 TRP A 15 8.351 6.205 -3.848 1.00 13.30 H new ATOM 0 HB3 TRP A 15 6.838 5.444 -4.300 1.00 13.30 H new ATOM 0 HD1 TRP A 15 9.334 5.658 -1.419 1.00 32.24 H new ATOM 0 HE1 TRP A 15 8.369 4.484 0.674 1.00 32.14 H new ATOM 0 HE3 TRP A 15 5.257 3.476 -3.595 1.00 33.43 H new ATOM 0 HZ2 TRP A 15 6.156 2.854 1.271 1.00 23.51 H new ATOM 0 HZ3 TRP A 15 3.754 2.121 -2.192 1.00 60.43 H new ATOM 0 HH2 TRP A 15 4.200 1.812 0.208 1.00 11.01 H new ATOM 200 N ALA A 16 6.849 2.967 -5.840 1.00 22.11 N ATOM 201 CA ALA A 16 6.017 1.797 -6.085 1.00 34.41 C ATOM 202 C ALA A 16 6.862 0.600 -6.508 1.00 44.32 C ATOM 203 O ALA A 16 6.716 -0.496 -5.968 1.00 25.41 O ATOM 204 CB ALA A 16 4.969 2.106 -7.144 1.00 52.00 C ATOM 0 H ALA A 16 6.655 3.758 -6.454 1.00 22.11 H new ATOM 0 HA ALA A 16 5.512 1.541 -5.154 1.00 34.41 H new ATOM 0 HB1 ALA A 16 4.355 1.222 -7.317 1.00 52.00 H new ATOM 0 HB2 ALA A 16 4.337 2.926 -6.802 1.00 52.00 H new ATOM 0 HB3 ALA A 16 5.463 2.391 -8.073 1.00 52.00 H new ATOM 210 N GLN A 17 7.745 0.819 -7.477 1.00 64.12 N ATOM 211 CA GLN A 17 8.612 -0.243 -7.974 1.00 44.51 C ATOM 212 C GLN A 17 9.646 -0.636 -6.924 1.00 10.22 C ATOM 213 O GLN A 17 9.884 -1.820 -6.686 1.00 11.52 O ATOM 214 CB GLN A 17 9.316 0.203 -9.257 1.00 10.02 C ATOM 215 CG GLN A 17 8.362 0.485 -10.407 1.00 4.30 C ATOM 216 CD GLN A 17 8.845 -0.094 -11.721 1.00 61.42 C ATOM 217 OE1 GLN A 17 9.951 0.201 -12.175 1.00 20.22 O ATOM 218 NE2 GLN A 17 8.016 -0.926 -12.342 1.00 1.20 N ATOM 0 H GLN A 17 7.879 1.721 -7.933 1.00 64.12 H new ATOM 0 HA GLN A 17 7.992 -1.113 -8.192 1.00 44.51 H new ATOM 0 HB2 GLN A 17 9.897 1.101 -9.049 1.00 10.02 H new ATOM 0 HB3 GLN A 17 10.022 -0.570 -9.562 1.00 10.02 H new ATOM 0 HG2 GLN A 17 7.382 0.071 -10.171 1.00 4.30 H new ATOM 0 HG3 GLN A 17 8.236 1.562 -10.514 1.00 4.30 H new ATOM 0 HE21 GLN A 17 7.108 -1.143 -11.930 1.00 1.20 H new ATOM 0 HE22 GLN A 17 8.287 -1.348 -13.230 1.00 1.20 H new ATOM 227 N ALA A 18 10.258 0.364 -6.299 1.00 24.15 N ATOM 228 CA ALA A 18 11.265 0.122 -5.274 1.00 3.33 C ATOM 229 C ALA A 18 10.660 -0.581 -4.065 1.00 31.55 C ATOM 230 O ALA A 18 11.312 -1.404 -3.421 1.00 43.21 O ATOM 231 CB ALA A 18 11.916 1.432 -4.852 1.00 55.14 C ATOM 0 H ALA A 18 10.074 1.350 -6.485 1.00 24.15 H new ATOM 0 HA ALA A 18 12.028 -0.531 -5.698 1.00 3.33 H new ATOM 0 HB1 ALA A 18 12.666 1.235 -4.086 1.00 55.14 H new ATOM 0 HB2 ALA A 18 12.392 1.896 -5.715 1.00 55.14 H new ATOM 0 HB3 ALA A 18 11.156 2.104 -4.452 1.00 55.14 H new ATOM 237 N TYR A 19 9.409 -0.253 -3.759 1.00 52.05 N ATOM 238 CA TYR A 19 8.716 -0.853 -2.625 1.00 10.32 C ATOM 239 C TYR A 19 8.386 -2.316 -2.899 1.00 62.12 C ATOM 240 O TYR A 19 8.353 -3.140 -1.984 1.00 55.40 O ATOM 241 CB TYR A 19 7.434 -0.078 -2.318 1.00 13.50 C ATOM 242 CG TYR A 19 6.541 -0.762 -1.308 1.00 13.24 C ATOM 243 CD1 TYR A 19 7.038 -1.170 -0.075 1.00 15.40 C ATOM 244 CD2 TYR A 19 5.201 -1.002 -1.584 1.00 70.01 C ATOM 245 CE1 TYR A 19 6.226 -1.796 0.851 1.00 25.24 C ATOM 246 CE2 TYR A 19 4.381 -1.627 -0.663 1.00 44.55 C ATOM 247 CZ TYR A 19 4.899 -2.021 0.553 1.00 52.12 C ATOM 248 OH TYR A 19 4.086 -2.645 1.472 1.00 10.52 O ATOM 0 H TYR A 19 8.854 0.425 -4.281 1.00 52.05 H new ATOM 0 HA TYR A 19 9.378 -0.806 -1.760 1.00 10.32 H new ATOM 0 HB2 TYR A 19 7.698 0.912 -1.946 1.00 13.50 H new ATOM 0 HB3 TYR A 19 6.877 0.068 -3.243 1.00 13.50 H new ATOM 0 HD1 TYR A 19 8.077 -0.994 0.163 1.00 15.40 H new ATOM 0 HD2 TYR A 19 4.792 -0.695 -2.535 1.00 70.01 H new ATOM 0 HE1 TYR A 19 6.629 -2.107 1.803 1.00 25.24 H new ATOM 0 HE2 TYR A 19 3.341 -1.806 -0.894 1.00 44.55 H new ATOM 0 HH TYR A 19 4.612 -2.889 2.262 1.00 10.52 H new ATOM 258 N CYS A 20 8.144 -2.634 -4.166 1.00 65.44 N ATOM 259 CA CYS A 20 7.818 -3.998 -4.565 1.00 61.10 C ATOM 260 C CYS A 20 9.009 -4.928 -4.350 1.00 0.33 C ATOM 261 O CYS A 20 8.867 -6.016 -3.794 1.00 74.41 O ATOM 262 CB CYS A 20 7.387 -4.034 -6.032 1.00 41.40 C ATOM 263 SG CYS A 20 6.620 -5.605 -6.544 1.00 61.21 S ATOM 0 H CYS A 20 8.168 -1.965 -4.935 1.00 65.44 H new ATOM 0 HA CYS A 20 6.993 -4.344 -3.943 1.00 61.10 H new ATOM 0 HB2 CYS A 20 6.682 -3.222 -6.212 1.00 41.40 H new ATOM 0 HB3 CYS A 20 8.258 -3.846 -6.660 1.00 41.40 H new ATOM 268 N ARG A 21 10.182 -4.489 -4.794 1.00 63.33 N ATOM 269 CA ARG A 21 11.398 -5.281 -4.652 1.00 71.53 C ATOM 270 C ARG A 21 11.846 -5.332 -3.195 1.00 70.31 C ATOM 271 O ARG A 21 12.286 -6.372 -2.705 1.00 25.31 O ATOM 272 CB ARG A 21 12.514 -4.702 -5.521 1.00 4.43 C ATOM 273 CG ARG A 21 12.832 -5.542 -6.747 1.00 1.21 C ATOM 274 CD ARG A 21 13.605 -4.744 -7.785 1.00 4.23 C ATOM 275 NE ARG A 21 14.317 -5.609 -8.723 1.00 12.43 N ATOM 276 CZ ARG A 21 15.428 -6.268 -8.415 1.00 12.32 C ATOM 277 NH1 ARG A 21 15.951 -6.162 -7.201 1.00 44.13 N ATOM 278 NH2 ARG A 21 16.018 -7.036 -9.323 1.00 22.13 N ATOM 0 H ARG A 21 10.316 -3.589 -5.255 1.00 63.33 H new ATOM 0 HA ARG A 21 11.181 -6.297 -4.983 1.00 71.53 H new ATOM 0 HB2 ARG A 21 12.230 -3.700 -5.842 1.00 4.43 H new ATOM 0 HB3 ARG A 21 13.416 -4.600 -4.918 1.00 4.43 H new ATOM 0 HG2 ARG A 21 13.414 -6.415 -6.450 1.00 1.21 H new ATOM 0 HG3 ARG A 21 11.905 -5.911 -7.187 1.00 1.21 H new ATOM 0 HD2 ARG A 21 12.917 -4.102 -8.335 1.00 4.23 H new ATOM 0 HD3 ARG A 21 14.318 -4.090 -7.282 1.00 4.23 H new ATOM 0 HE ARG A 21 13.940 -5.712 -9.665 1.00 12.43 H new ATOM 0 HH11 ARG A 21 15.500 -5.573 -6.501 1.00 44.13 H new ATOM 0 HH12 ARG A 21 16.804 -6.669 -6.967 1.00 44.13 H new ATOM 0 HH21 ARG A 21 15.618 -7.120 -10.258 1.00 22.13 H new ATOM 0 HH22 ARG A 21 16.871 -7.542 -9.086 1.00 22.13 H new ATOM 292 N LYS A 22 11.731 -4.202 -2.506 1.00 4.41 N ATOM 293 CA LYS A 22 12.123 -4.115 -1.105 1.00 1.25 C ATOM 294 C LYS A 22 11.486 -5.237 -0.291 1.00 53.12 C ATOM 295 O LYS A 22 12.106 -5.786 0.621 1.00 15.43 O ATOM 296 CB LYS A 22 11.721 -2.758 -0.524 1.00 45.23 C ATOM 297 CG LYS A 22 12.636 -2.277 0.589 1.00 22.23 C ATOM 298 CD LYS A 22 13.821 -1.499 0.041 1.00 72.32 C ATOM 299 CE LYS A 22 14.437 -0.601 1.102 1.00 0.25 C ATOM 300 NZ LYS A 22 15.602 0.162 0.576 1.00 43.24 N ATOM 0 H LYS A 22 11.369 -3.332 -2.896 1.00 4.41 H new ATOM 0 HA LYS A 22 13.207 -4.220 -1.050 1.00 1.25 H new ATOM 0 HB2 LYS A 22 11.715 -2.017 -1.324 1.00 45.23 H new ATOM 0 HB3 LYS A 22 10.702 -2.823 -0.142 1.00 45.23 H new ATOM 0 HG2 LYS A 22 12.073 -1.647 1.277 1.00 22.23 H new ATOM 0 HG3 LYS A 22 12.995 -3.132 1.161 1.00 22.23 H new ATOM 0 HD2 LYS A 22 14.574 -2.194 -0.330 1.00 72.32 H new ATOM 0 HD3 LYS A 22 13.500 -0.894 -0.807 1.00 72.32 H new ATOM 0 HE2 LYS A 22 13.684 0.095 1.470 1.00 0.25 H new ATOM 0 HE3 LYS A 22 14.753 -1.207 1.951 1.00 0.25 H new ATOM 0 HZ1 LYS A 22 15.993 0.762 1.330 1.00 43.24 H new ATOM 0 HZ2 LYS A 22 16.332 -0.502 0.248 1.00 43.24 H new ATOM 0 HZ3 LYS A 22 15.296 0.760 -0.218 1.00 43.24 H new ATOM 314 N LEU A 23 10.246 -5.573 -0.628 1.00 33.54 N ATOM 315 CA LEU A 23 9.524 -6.632 0.071 1.00 42.10 C ATOM 316 C LEU A 23 10.188 -7.987 -0.158 1.00 11.33 C ATOM 317 O LEU A 23 10.356 -8.772 0.774 1.00 10.35 O ATOM 318 CB LEU A 23 8.069 -6.679 -0.397 1.00 1.01 C ATOM 319 CG LEU A 23 7.224 -5.443 -0.087 1.00 35.43 C ATOM 320 CD1 LEU A 23 5.904 -5.496 -0.840 1.00 61.11 C ATOM 321 CD2 LEU A 23 6.981 -5.326 1.411 1.00 53.13 C ATOM 0 H LEU A 23 9.719 -5.129 -1.380 1.00 33.54 H new ATOM 0 HA LEU A 23 9.549 -6.412 1.138 1.00 42.10 H new ATOM 0 HB2 LEU A 23 8.060 -6.839 -1.475 1.00 1.01 H new ATOM 0 HB3 LEU A 23 7.590 -7.546 0.058 1.00 1.01 H new ATOM 0 HG LEU A 23 7.771 -4.560 -0.417 1.00 35.43 H new ATOM 0 HD11 LEU A 23 5.316 -4.608 -0.607 1.00 61.11 H new ATOM 0 HD12 LEU A 23 6.098 -5.532 -1.912 1.00 61.11 H new ATOM 0 HD13 LEU A 23 5.350 -6.386 -0.542 1.00 61.11 H new ATOM 0 HD21 LEU A 23 6.378 -4.441 1.614 1.00 53.13 H new ATOM 0 HD22 LEU A 23 6.454 -6.213 1.765 1.00 53.13 H new ATOM 0 HD23 LEU A 23 7.936 -5.241 1.929 1.00 53.13 H new ATOM 333 N ASN A 24 10.566 -8.251 -1.404 1.00 52.11 N ATOM 334 CA ASN A 24 11.213 -9.510 -1.755 1.00 51.11 C ATOM 335 C ASN A 24 12.396 -9.790 -0.832 1.00 33.12 C ATOM 336 O ASN A 24 12.749 -10.944 -0.594 1.00 2.45 O ATOM 337 CB ASN A 24 11.684 -9.477 -3.210 1.00 4.41 C ATOM 338 CG ASN A 24 10.744 -10.218 -4.140 1.00 15.14 C ATOM 339 OD1 ASN A 24 10.575 -11.433 -4.033 1.00 5.21 O ATOM 340 ND2 ASN A 24 10.123 -9.487 -5.060 1.00 32.35 N ATOM 0 H ASN A 24 10.436 -7.611 -2.187 1.00 52.11 H new ATOM 0 HA ASN A 24 10.483 -10.311 -1.634 1.00 51.11 H new ATOM 0 HB2 ASN A 24 11.772 -8.441 -3.537 1.00 4.41 H new ATOM 0 HB3 ASN A 24 12.679 -9.918 -3.277 1.00 4.41 H new ATOM 0 HD21 ASN A 24 9.477 -9.930 -5.713 1.00 32.35 H new ATOM 0 HD22 ASN A 24 10.293 -8.483 -5.113 1.00 32.35 H new ATOM 347 N GLU A 25 13.001 -8.725 -0.316 1.00 10.40 N ATOM 348 CA GLU A 25 14.144 -8.856 0.580 1.00 1.15 C ATOM 349 C GLU A 25 13.713 -9.421 1.931 1.00 62.51 C ATOM 350 O GLU A 25 14.421 -10.230 2.532 1.00 42.33 O ATOM 351 CB GLU A 25 14.825 -7.500 0.776 1.00 20.02 C ATOM 352 CG GLU A 25 15.215 -6.821 -0.525 1.00 41.14 C ATOM 353 CD GLU A 25 16.605 -6.219 -0.475 1.00 44.11 C ATOM 354 OE1 GLU A 25 17.570 -6.973 -0.227 1.00 10.14 O ATOM 355 OE2 GLU A 25 16.730 -4.994 -0.685 1.00 0.01 O ATOM 0 H GLU A 25 12.719 -7.763 -0.503 1.00 10.40 H new ATOM 0 HA GLU A 25 14.853 -9.548 0.125 1.00 1.15 H new ATOM 0 HB2 GLU A 25 14.155 -6.844 1.332 1.00 20.02 H new ATOM 0 HB3 GLU A 25 15.718 -7.636 1.387 1.00 20.02 H new ATOM 0 HG2 GLU A 25 15.166 -7.546 -1.338 1.00 41.14 H new ATOM 0 HG3 GLU A 25 14.492 -6.038 -0.753 1.00 41.14 H new ATOM 362 N SER A 26 12.547 -8.990 2.402 1.00 25.01 N ATOM 363 CA SER A 26 12.025 -9.448 3.683 1.00 34.42 C ATOM 364 C SER A 26 11.420 -10.844 3.555 1.00 0.43 C ATOM 365 O SER A 26 10.275 -10.999 3.135 1.00 55.10 O ATOM 366 CB SER A 26 10.970 -8.471 4.207 1.00 42.32 C ATOM 367 OG SER A 26 11.195 -8.161 5.571 1.00 1.43 O ATOM 0 H SER A 26 11.947 -8.324 1.915 1.00 25.01 H new ATOM 0 HA SER A 26 12.854 -9.492 4.390 1.00 34.42 H new ATOM 0 HB2 SER A 26 10.991 -7.556 3.615 1.00 42.32 H new ATOM 0 HB3 SER A 26 9.977 -8.905 4.088 1.00 42.32 H new ATOM 0 HG SER A 26 10.509 -7.534 5.881 1.00 1.43 H new ATOM 373 N GLU A 27 12.201 -11.856 3.921 1.00 52.52 N ATOM 374 CA GLU A 27 11.743 -13.239 3.846 1.00 44.32 C ATOM 375 C GLU A 27 10.509 -13.451 4.717 1.00 70.53 C ATOM 376 O GLU A 27 9.597 -14.190 4.349 1.00 2.03 O ATOM 377 CB GLU A 27 12.859 -14.191 4.282 1.00 71.15 C ATOM 378 CG GLU A 27 12.634 -15.630 3.845 1.00 4.34 C ATOM 379 CD GLU A 27 13.580 -16.600 4.527 1.00 11.45 C ATOM 380 OE1 GLU A 27 14.757 -16.668 4.115 1.00 23.43 O ATOM 381 OE2 GLU A 27 13.143 -17.290 5.472 1.00 1.22 O ATOM 0 H GLU A 27 13.152 -11.745 4.272 1.00 52.52 H new ATOM 0 HA GLU A 27 11.476 -13.452 2.811 1.00 44.32 H new ATOM 0 HB2 GLU A 27 13.806 -13.839 3.873 1.00 71.15 H new ATOM 0 HB3 GLU A 27 12.949 -14.159 5.368 1.00 71.15 H new ATOM 0 HG2 GLU A 27 11.605 -15.916 4.064 1.00 4.34 H new ATOM 0 HG3 GLU A 27 12.761 -15.702 2.765 1.00 4.34 H new ATOM 388 N ALA A 28 10.489 -12.797 5.874 1.00 21.43 N ATOM 389 CA ALA A 28 9.367 -12.914 6.798 1.00 74.05 C ATOM 390 C ALA A 28 8.052 -12.560 6.110 1.00 2.11 C ATOM 391 O ALA A 28 7.107 -13.350 6.113 1.00 14.23 O ATOM 392 CB ALA A 28 9.587 -12.022 8.011 1.00 30.20 C ATOM 0 H ALA A 28 11.237 -12.181 6.194 1.00 21.43 H new ATOM 0 HA ALA A 28 9.307 -13.951 7.130 1.00 74.05 H new ATOM 0 HB1 ALA A 28 8.742 -12.119 8.692 1.00 30.20 H new ATOM 0 HB2 ALA A 28 10.502 -12.322 8.522 1.00 30.20 H new ATOM 0 HB3 ALA A 28 9.675 -10.985 7.688 1.00 30.20 H new ATOM 398 N TYR A 29 7.998 -11.369 5.524 1.00 24.55 N ATOM 399 CA TYR A 29 6.798 -10.910 4.836 1.00 73.30 C ATOM 400 C TYR A 29 6.223 -12.011 3.949 1.00 44.43 C ATOM 401 O TYR A 29 5.050 -12.365 4.062 1.00 70.51 O ATOM 402 CB TYR A 29 7.109 -9.671 3.995 1.00 65.53 C ATOM 403 CG TYR A 29 6.046 -9.352 2.969 1.00 14.13 C ATOM 404 CD1 TYR A 29 4.700 -9.340 3.316 1.00 1.04 C ATOM 405 CD2 TYR A 29 6.385 -9.062 1.653 1.00 1.35 C ATOM 406 CE1 TYR A 29 3.725 -9.050 2.383 1.00 72.34 C ATOM 407 CE2 TYR A 29 5.416 -8.769 0.713 1.00 32.34 C ATOM 408 CZ TYR A 29 4.087 -8.765 1.082 1.00 30.33 C ATOM 409 OH TYR A 29 3.118 -8.474 0.151 1.00 45.24 O ATOM 0 H TYR A 29 8.772 -10.704 5.512 1.00 24.55 H new ATOM 0 HA TYR A 29 6.054 -10.651 5.590 1.00 73.30 H new ATOM 0 HB2 TYR A 29 7.231 -8.814 4.657 1.00 65.53 H new ATOM 0 HB3 TYR A 29 8.061 -9.818 3.485 1.00 65.53 H new ATOM 0 HD1 TYR A 29 4.412 -9.561 4.333 1.00 1.04 H new ATOM 0 HD2 TYR A 29 7.424 -9.066 1.360 1.00 1.35 H new ATOM 0 HE1 TYR A 29 2.684 -9.046 2.670 1.00 72.34 H new ATOM 0 HE2 TYR A 29 5.698 -8.544 -0.305 1.00 32.34 H new ATOM 0 HH TYR A 29 3.534 -8.068 -0.638 1.00 45.24 H new ATOM 419 N ARG A 30 7.060 -12.547 3.066 1.00 41.53 N ATOM 420 CA ARG A 30 6.638 -13.607 2.158 1.00 4.51 C ATOM 421 C ARG A 30 5.932 -14.725 2.920 1.00 51.25 C ATOM 422 O ARG A 30 4.870 -15.195 2.511 1.00 30.44 O ATOM 423 CB ARG A 30 7.843 -14.170 1.402 1.00 14.32 C ATOM 424 CG ARG A 30 7.465 -15.119 0.276 1.00 42.33 C ATOM 425 CD ARG A 30 8.696 -15.723 -0.380 1.00 4.10 C ATOM 426 NE ARG A 30 8.367 -16.890 -1.192 1.00 72.42 N ATOM 427 CZ ARG A 30 9.177 -17.397 -2.116 1.00 12.53 C ATOM 428 NH1 ARG A 30 10.358 -16.839 -2.342 1.00 25.02 N ATOM 429 NH2 ARG A 30 8.806 -18.462 -2.814 1.00 14.11 N ATOM 0 H ARG A 30 8.034 -12.264 2.960 1.00 41.53 H new ATOM 0 HA ARG A 30 5.936 -13.180 1.441 1.00 4.51 H new ATOM 0 HB2 ARG A 30 8.422 -13.343 0.990 1.00 14.32 H new ATOM 0 HB3 ARG A 30 8.491 -14.693 2.105 1.00 14.32 H new ATOM 0 HG2 ARG A 30 6.832 -15.916 0.667 1.00 42.33 H new ATOM 0 HG3 ARG A 30 6.879 -14.584 -0.471 1.00 42.33 H new ATOM 0 HD2 ARG A 30 9.179 -14.972 -1.005 1.00 4.10 H new ATOM 0 HD3 ARG A 30 9.414 -16.008 0.389 1.00 4.10 H new ATOM 0 HE ARG A 30 7.465 -17.342 -1.042 1.00 72.42 H new ATOM 0 HH11 ARG A 30 10.646 -16.020 -1.807 1.00 25.02 H new ATOM 0 HH12 ARG A 30 10.979 -17.229 -3.051 1.00 25.02 H new ATOM 0 HH21 ARG A 30 7.898 -18.893 -2.642 1.00 14.11 H new ATOM 0 HH22 ARG A 30 9.429 -18.850 -3.523 1.00 14.11 H new ATOM 443 N LYS A 31 6.531 -15.148 4.028 1.00 22.30 N ATOM 444 CA LYS A 31 5.962 -16.211 4.848 1.00 74.24 C ATOM 445 C LYS A 31 4.621 -15.784 5.438 1.00 2.11 C ATOM 446 O LYS A 31 3.653 -16.544 5.416 1.00 51.15 O ATOM 447 CB LYS A 31 6.928 -16.589 5.973 1.00 44.14 C ATOM 448 CG LYS A 31 8.163 -17.330 5.489 1.00 71.10 C ATOM 449 CD LYS A 31 8.962 -17.898 6.649 1.00 5.45 C ATOM 450 CE LYS A 31 9.379 -19.336 6.389 1.00 30.41 C ATOM 451 NZ LYS A 31 10.358 -19.824 7.400 1.00 11.42 N ATOM 0 H LYS A 31 7.411 -14.771 4.379 1.00 22.30 H new ATOM 0 HA LYS A 31 5.799 -17.080 4.210 1.00 74.24 H new ATOM 0 HB2 LYS A 31 7.239 -15.683 6.494 1.00 44.14 H new ATOM 0 HB3 LYS A 31 6.403 -17.210 6.699 1.00 44.14 H new ATOM 0 HG2 LYS A 31 7.865 -18.138 4.821 1.00 71.10 H new ATOM 0 HG3 LYS A 31 8.791 -16.653 4.910 1.00 71.10 H new ATOM 0 HD2 LYS A 31 9.848 -17.286 6.816 1.00 5.45 H new ATOM 0 HD3 LYS A 31 8.366 -17.850 7.560 1.00 5.45 H new ATOM 0 HE2 LYS A 31 8.497 -19.977 6.399 1.00 30.41 H new ATOM 0 HE3 LYS A 31 9.817 -19.412 5.394 1.00 30.41 H new ATOM 0 HZ1 LYS A 31 10.616 -20.808 7.186 1.00 11.42 H new ATOM 0 HZ2 LYS A 31 11.210 -19.229 7.373 1.00 11.42 H new ATOM 0 HZ3 LYS A 31 9.932 -19.776 8.347 1.00 11.42 H new ATOM 465 N ALA A 32 4.572 -14.564 5.963 1.00 63.00 N ATOM 466 CA ALA A 32 3.350 -14.036 6.555 1.00 1.51 C ATOM 467 C ALA A 32 2.208 -14.030 5.544 1.00 41.21 C ATOM 468 O ALA A 32 1.122 -14.542 5.816 1.00 24.23 O ATOM 469 CB ALA A 32 3.588 -12.632 7.093 1.00 72.42 C ATOM 0 H ALA A 32 5.365 -13.923 5.990 1.00 63.00 H new ATOM 0 HA ALA A 32 3.065 -14.687 7.382 1.00 1.51 H new ATOM 0 HB1 ALA A 32 2.667 -12.250 7.532 1.00 72.42 H new ATOM 0 HB2 ALA A 32 4.368 -12.661 7.854 1.00 72.42 H new ATOM 0 HB3 ALA A 32 3.900 -11.978 6.278 1.00 72.42 H new ATOM 475 N ALA A 33 2.460 -13.448 4.376 1.00 2.32 N ATOM 476 CA ALA A 33 1.453 -13.376 3.325 1.00 60.13 C ATOM 477 C ALA A 33 1.663 -14.476 2.289 1.00 31.32 C ATOM 478 O ALA A 33 1.463 -14.262 1.094 1.00 63.43 O ATOM 479 CB ALA A 33 1.483 -12.009 2.659 1.00 73.21 C ATOM 0 H ALA A 33 3.353 -13.019 4.134 1.00 2.32 H new ATOM 0 HA ALA A 33 0.474 -13.524 3.782 1.00 60.13 H new ATOM 0 HB1 ALA A 33 0.726 -11.969 1.876 1.00 73.21 H new ATOM 0 HB2 ALA A 33 1.278 -11.238 3.402 1.00 73.21 H new ATOM 0 HB3 ALA A 33 2.467 -11.839 2.221 1.00 73.21 H new ATOM 485 N SER A 34 2.068 -15.653 2.756 1.00 3.01 N ATOM 486 CA SER A 34 2.310 -16.785 1.870 1.00 62.11 C ATOM 487 C SER A 34 1.049 -17.140 1.087 1.00 24.21 C ATOM 488 O SER A 34 -0.057 -16.745 1.455 1.00 41.10 O ATOM 489 CB SER A 34 2.783 -17.998 2.673 1.00 12.22 C ATOM 490 OG SER A 34 3.561 -18.869 1.872 1.00 24.31 O ATOM 0 H SER A 34 2.235 -15.847 3.743 1.00 3.01 H new ATOM 0 HA SER A 34 3.089 -16.501 1.163 1.00 62.11 H new ATOM 0 HB2 SER A 34 3.370 -17.665 3.529 1.00 12.22 H new ATOM 0 HB3 SER A 34 1.921 -18.535 3.068 1.00 12.22 H new ATOM 0 HG SER A 34 3.852 -19.635 2.409 1.00 24.31 H new ATOM 496 N THR A 35 1.226 -17.889 0.002 1.00 3.30 N ATOM 497 CA THR A 35 0.105 -18.297 -0.834 1.00 62.22 C ATOM 498 C THR A 35 -0.988 -17.235 -0.845 1.00 22.43 C ATOM 499 O THR A 35 -2.175 -17.553 -0.779 1.00 13.04 O ATOM 500 CB THR A 35 -0.497 -19.632 -0.356 1.00 23.23 C ATOM 501 OG1 THR A 35 -1.466 -20.099 -1.301 1.00 21.33 O ATOM 502 CG2 THR A 35 -1.147 -19.475 1.010 1.00 15.53 C ATOM 0 H THR A 35 2.135 -18.225 -0.317 1.00 3.30 H new ATOM 0 HA THR A 35 0.495 -18.424 -1.844 1.00 62.22 H new ATOM 0 HB THR A 35 0.310 -20.360 -0.274 1.00 23.23 H new ATOM 0 HG1 THR A 35 -2.185 -19.439 -1.385 1.00 21.33 H new ATOM 0 HG21 THR A 35 -1.565 -20.431 1.326 1.00 15.53 H new ATOM 0 HG22 THR A 35 -0.400 -19.149 1.733 1.00 15.53 H new ATOM 0 HG23 THR A 35 -1.943 -18.733 0.951 1.00 15.53 H new ATOM 510 N TRP A 36 -0.580 -15.975 -0.930 1.00 51.53 N ATOM 511 CA TRP A 36 -1.527 -14.865 -0.950 1.00 53.35 C ATOM 512 C TRP A 36 -2.265 -14.803 -2.283 1.00 43.12 C ATOM 513 O TRP A 36 -3.495 -14.798 -2.321 1.00 72.34 O ATOM 514 CB TRP A 36 -0.801 -13.543 -0.694 1.00 32.32 C ATOM 515 CG TRP A 36 -1.516 -12.353 -1.259 1.00 30.11 C ATOM 516 CD1 TRP A 36 -1.184 -11.657 -2.386 1.00 70.34 C ATOM 517 CD2 TRP A 36 -2.681 -11.719 -0.722 1.00 53.12 C ATOM 518 NE1 TRP A 36 -2.073 -10.629 -2.583 1.00 73.24 N ATOM 519 CE2 TRP A 36 -3.002 -10.645 -1.576 1.00 42.23 C ATOM 520 CE3 TRP A 36 -3.486 -11.954 0.396 1.00 34.21 C ATOM 521 CZ2 TRP A 36 -4.091 -9.810 -1.344 1.00 54.14 C ATOM 522 CZ3 TRP A 36 -4.567 -11.124 0.624 1.00 32.42 C ATOM 523 CH2 TRP A 36 -4.863 -10.063 -0.243 1.00 61.02 C ATOM 0 H TRP A 36 0.399 -15.695 -0.986 1.00 51.53 H new ATOM 0 HA TRP A 36 -2.258 -15.030 -0.158 1.00 53.35 H new ATOM 0 HB2 TRP A 36 -0.677 -13.407 0.380 1.00 32.32 H new ATOM 0 HB3 TRP A 36 0.198 -13.596 -1.126 1.00 32.32 H new ATOM 0 HD1 TRP A 36 -0.345 -11.882 -3.028 1.00 70.34 H new ATOM 0 HE1 TRP A 36 -2.046 -9.962 -3.354 1.00 73.24 H new ATOM 0 HE3 TRP A 36 -3.267 -12.769 1.069 1.00 34.21 H new ATOM 0 HZ2 TRP A 36 -4.319 -8.991 -2.010 1.00 54.14 H new ATOM 0 HZ3 TRP A 36 -5.195 -11.296 1.486 1.00 32.42 H new ATOM 0 HH2 TRP A 36 -5.716 -9.434 -0.038 1.00 61.02 H new ATOM 534 N GLU A 37 -1.506 -14.756 -3.374 1.00 4.41 N ATOM 535 CA GLU A 37 -2.090 -14.693 -4.709 1.00 13.15 C ATOM 536 C GLU A 37 -2.890 -13.407 -4.892 1.00 62.23 C ATOM 537 O GLU A 37 -3.612 -12.978 -3.993 1.00 63.22 O ATOM 538 CB GLU A 37 -2.990 -15.906 -4.952 1.00 52.42 C ATOM 539 CG GLU A 37 -2.258 -17.096 -5.549 1.00 30.54 C ATOM 540 CD GLU A 37 -3.189 -18.049 -6.275 1.00 3.35 C ATOM 541 OE1 GLU A 37 -4.294 -18.309 -5.755 1.00 51.31 O ATOM 542 OE2 GLU A 37 -2.811 -18.535 -7.361 1.00 51.31 O ATOM 0 H GLU A 37 -0.486 -14.760 -3.359 1.00 4.41 H new ATOM 0 HA GLU A 37 -1.277 -14.701 -5.435 1.00 13.15 H new ATOM 0 HB2 GLU A 37 -3.444 -16.206 -4.008 1.00 52.42 H new ATOM 0 HB3 GLU A 37 -3.802 -15.618 -5.619 1.00 52.42 H new ATOM 0 HG2 GLU A 37 -1.497 -16.739 -6.242 1.00 30.54 H new ATOM 0 HG3 GLU A 37 -1.739 -17.634 -4.756 1.00 30.54 H new ATOM 549 N GLY A 38 -2.755 -12.795 -6.066 1.00 31.33 N ATOM 550 CA GLY A 38 -3.471 -11.564 -6.347 1.00 23.12 C ATOM 551 C GLY A 38 -2.598 -10.336 -6.180 1.00 44.02 C ATOM 552 O GLY A 38 -1.473 -10.428 -5.690 1.00 4.21 O ATOM 0 H GLY A 38 -2.163 -13.130 -6.826 1.00 31.33 H new ATOM 0 HA2 GLY A 38 -3.857 -11.596 -7.366 1.00 23.12 H new ATOM 0 HA3 GLY A 38 -4.332 -11.488 -5.682 1.00 23.12 H new ATOM 556 N SER A 39 -3.117 -9.184 -6.592 1.00 4.21 N ATOM 557 CA SER A 39 -2.376 -7.932 -6.490 1.00 4.11 C ATOM 558 C SER A 39 -3.187 -6.878 -5.744 1.00 15.42 C ATOM 559 O SER A 39 -4.413 -6.826 -5.858 1.00 21.33 O ATOM 560 CB SER A 39 -2.008 -7.418 -7.884 1.00 73.40 C ATOM 561 OG SER A 39 -3.167 -7.040 -8.608 1.00 42.12 O ATOM 0 H SER A 39 -4.047 -9.091 -7.000 1.00 4.21 H new ATOM 0 HA SER A 39 -1.462 -8.125 -5.928 1.00 4.11 H new ATOM 0 HB2 SER A 39 -1.336 -6.565 -7.795 1.00 73.40 H new ATOM 0 HB3 SER A 39 -1.470 -8.192 -8.431 1.00 73.40 H new ATOM 0 HG SER A 39 -2.907 -6.713 -9.495 1.00 42.12 H new ATOM 567 N LEU A 40 -2.496 -6.038 -4.981 1.00 21.44 N ATOM 568 CA LEU A 40 -3.152 -4.984 -4.215 1.00 24.33 C ATOM 569 C LEU A 40 -3.051 -3.644 -4.937 1.00 34.22 C ATOM 570 O LEU A 40 -2.102 -3.398 -5.681 1.00 0.13 O ATOM 571 CB LEU A 40 -2.527 -4.875 -2.823 1.00 30.42 C ATOM 572 CG LEU A 40 -3.341 -4.108 -1.781 1.00 33.13 C ATOM 573 CD1 LEU A 40 -4.386 -5.013 -1.147 1.00 53.21 C ATOM 574 CD2 LEU A 40 -2.427 -3.520 -0.715 1.00 42.23 C ATOM 0 H LEU A 40 -1.482 -6.066 -4.876 1.00 21.44 H new ATOM 0 HA LEU A 40 -4.206 -5.243 -4.114 1.00 24.33 H new ATOM 0 HB2 LEU A 40 -2.349 -5.882 -2.446 1.00 30.42 H new ATOM 0 HB3 LEU A 40 -1.553 -4.394 -2.920 1.00 30.42 H new ATOM 0 HG LEU A 40 -3.855 -3.289 -2.283 1.00 33.13 H new ATOM 0 HD11 LEU A 40 -4.955 -4.449 -0.408 1.00 53.21 H new ATOM 0 HD12 LEU A 40 -5.061 -5.385 -1.918 1.00 53.21 H new ATOM 0 HD13 LEU A 40 -3.892 -5.854 -0.660 1.00 53.21 H new ATOM 0 HD21 LEU A 40 -3.025 -2.978 0.018 1.00 42.23 H new ATOM 0 HD22 LEU A 40 -1.884 -4.324 -0.217 1.00 42.23 H new ATOM 0 HD23 LEU A 40 -1.717 -2.837 -1.181 1.00 42.23 H new ATOM 586 N ALA A 41 -4.035 -2.780 -4.710 1.00 35.23 N ATOM 587 CA ALA A 41 -4.055 -1.463 -5.334 1.00 72.43 C ATOM 588 C ALA A 41 -4.452 -0.386 -4.332 1.00 1.34 C ATOM 589 O ALA A 41 -5.625 -0.249 -3.983 1.00 34.24 O ATOM 590 CB ALA A 41 -5.007 -1.458 -6.522 1.00 52.33 C ATOM 0 H ALA A 41 -4.829 -2.969 -4.098 1.00 35.23 H new ATOM 0 HA ALA A 41 -3.048 -1.240 -5.687 1.00 72.43 H new ATOM 0 HB1 ALA A 41 -5.013 -0.469 -6.979 1.00 52.33 H new ATOM 0 HB2 ALA A 41 -4.678 -2.195 -7.255 1.00 52.33 H new ATOM 0 HB3 ALA A 41 -6.013 -1.707 -6.183 1.00 52.33 H new ATOM 596 N LEU A 42 -3.467 0.376 -3.869 1.00 70.40 N ATOM 597 CA LEU A 42 -3.713 1.442 -2.904 1.00 54.40 C ATOM 598 C LEU A 42 -4.099 2.738 -3.611 1.00 21.23 C ATOM 599 O LEU A 42 -3.244 3.445 -4.142 1.00 54.34 O ATOM 600 CB LEU A 42 -2.473 1.670 -2.039 1.00 42.11 C ATOM 601 CG LEU A 42 -1.848 0.420 -1.419 1.00 44.10 C ATOM 602 CD1 LEU A 42 -0.445 0.719 -0.913 1.00 34.03 C ATOM 603 CD2 LEU A 42 -2.722 -0.111 -0.292 1.00 45.40 C ATOM 0 H LEU A 42 -2.491 0.275 -4.146 1.00 70.40 H new ATOM 0 HA LEU A 42 -4.542 1.137 -2.266 1.00 54.40 H new ATOM 0 HB2 LEU A 42 -1.717 2.166 -2.647 1.00 42.11 H new ATOM 0 HB3 LEU A 42 -2.737 2.357 -1.235 1.00 42.11 H new ATOM 0 HG LEU A 42 -1.778 -0.348 -2.190 1.00 44.10 H new ATOM 0 HD11 LEU A 42 -0.016 -0.182 -0.475 1.00 34.03 H new ATOM 0 HD12 LEU A 42 0.178 1.051 -1.743 1.00 34.03 H new ATOM 0 HD13 LEU A 42 -0.490 1.503 -0.157 1.00 34.03 H new ATOM 0 HD21 LEU A 42 -2.261 -1.001 0.137 1.00 45.40 H new ATOM 0 HD22 LEU A 42 -2.825 0.652 0.479 1.00 45.40 H new ATOM 0 HD23 LEU A 42 -3.707 -0.366 -0.684 1.00 45.40 H new ATOM 615 N ALA A 43 -5.393 3.043 -3.610 1.00 11.24 N ATOM 616 CA ALA A 43 -5.892 4.256 -4.247 1.00 23.22 C ATOM 617 C ALA A 43 -5.885 5.430 -3.274 1.00 60.40 C ATOM 618 O ALA A 43 -6.039 5.249 -2.066 1.00 11.00 O ATOM 619 CB ALA A 43 -7.294 4.027 -4.791 1.00 61.31 C ATOM 0 H ALA A 43 -6.114 2.467 -3.175 1.00 11.24 H new ATOM 0 HA ALA A 43 -5.228 4.501 -5.076 1.00 23.22 H new ATOM 0 HB1 ALA A 43 -7.654 4.941 -5.264 1.00 61.31 H new ATOM 0 HB2 ALA A 43 -7.272 3.222 -5.526 1.00 61.31 H new ATOM 0 HB3 ALA A 43 -7.961 3.754 -3.974 1.00 61.31 H new ATOM 625 N VAL A 44 -5.704 6.633 -3.808 1.00 4.11 N ATOM 626 CA VAL A 44 -5.677 7.838 -2.987 1.00 33.40 C ATOM 627 C VAL A 44 -6.664 8.878 -3.505 1.00 21.11 C ATOM 628 O VAL A 44 -6.552 9.344 -4.638 1.00 54.41 O ATOM 629 CB VAL A 44 -4.268 8.458 -2.946 1.00 11.43 C ATOM 630 CG1 VAL A 44 -4.281 9.763 -2.163 1.00 71.13 C ATOM 631 CG2 VAL A 44 -3.272 7.477 -2.347 1.00 12.31 C ATOM 0 H VAL A 44 -5.574 6.800 -4.806 1.00 4.11 H new ATOM 0 HA VAL A 44 -5.964 7.540 -1.978 1.00 33.40 H new ATOM 0 HB VAL A 44 -3.957 8.678 -3.967 1.00 11.43 H new ATOM 0 HG11 VAL A 44 -3.277 10.186 -2.145 1.00 71.13 H new ATOM 0 HG12 VAL A 44 -4.963 10.467 -2.640 1.00 71.13 H new ATOM 0 HG13 VAL A 44 -4.613 9.572 -1.142 1.00 71.13 H new ATOM 0 HG21 VAL A 44 -2.282 7.932 -2.326 1.00 12.31 H new ATOM 0 HG22 VAL A 44 -3.577 7.223 -1.332 1.00 12.31 H new ATOM 0 HG23 VAL A 44 -3.243 6.572 -2.954 1.00 12.31 H new ATOM 641 N ARG A 45 -7.630 9.239 -2.666 1.00 20.54 N ATOM 642 CA ARG A 45 -8.638 10.224 -3.039 1.00 2.34 C ATOM 643 C ARG A 45 -7.992 11.439 -3.699 1.00 65.23 C ATOM 644 O ARG A 45 -6.899 11.869 -3.330 1.00 13.42 O ATOM 645 CB ARG A 45 -9.433 10.662 -1.809 1.00 32.02 C ATOM 646 CG ARG A 45 -10.684 9.833 -1.564 1.00 62.14 C ATOM 647 CD ARG A 45 -11.850 10.700 -1.116 1.00 5.31 C ATOM 648 NE ARG A 45 -12.953 9.903 -0.585 1.00 45.45 N ATOM 649 CZ ARG A 45 -14.056 10.430 -0.066 1.00 62.42 C ATOM 650 NH1 ARG A 45 -14.202 11.746 -0.008 1.00 51.31 N ATOM 651 NH2 ARG A 45 -15.016 9.639 0.396 1.00 41.22 N ATOM 0 H ARG A 45 -7.736 8.864 -1.723 1.00 20.54 H new ATOM 0 HA ARG A 45 -9.316 9.760 -3.755 1.00 2.34 H new ATOM 0 HB2 ARG A 45 -8.790 10.602 -0.931 1.00 32.02 H new ATOM 0 HB3 ARG A 45 -9.717 11.708 -1.924 1.00 32.02 H new ATOM 0 HG2 ARG A 45 -10.954 9.302 -2.477 1.00 62.14 H new ATOM 0 HG3 ARG A 45 -10.478 9.078 -0.805 1.00 62.14 H new ATOM 0 HD2 ARG A 45 -11.509 11.400 -0.353 1.00 5.31 H new ATOM 0 HD3 ARG A 45 -12.205 11.294 -1.958 1.00 5.31 H new ATOM 0 HE ARG A 45 -12.872 8.887 -0.614 1.00 45.45 H new ATOM 0 HH11 ARG A 45 -13.466 12.357 -0.363 1.00 51.31 H new ATOM 0 HH12 ARG A 45 -15.050 12.148 0.391 1.00 51.31 H new ATOM 0 HH21 ARG A 45 -14.907 8.626 0.353 1.00 41.22 H new ATOM 0 HH22 ARG A 45 -15.863 10.044 0.795 1.00 41.22 H new ATOM 665 N PRO A 46 -8.682 12.005 -4.701 1.00 32.32 N ATOM 666 CA PRO A 46 -8.195 13.177 -5.434 1.00 63.42 C ATOM 667 C PRO A 46 -8.208 14.441 -4.580 1.00 4.01 C ATOM 668 O PRO A 46 -9.217 14.771 -3.959 1.00 11.45 O ATOM 669 CB PRO A 46 -9.184 13.306 -6.594 1.00 34.21 C ATOM 670 CG PRO A 46 -10.433 12.659 -6.102 1.00 22.20 C ATOM 671 CD PRO A 46 -9.990 11.544 -5.195 1.00 32.34 C ATOM 0 HA PRO A 46 -7.159 13.058 -5.751 1.00 63.42 H new ATOM 0 HB2 PRO A 46 -9.355 14.351 -6.854 1.00 34.21 H new ATOM 0 HB3 PRO A 46 -8.809 12.812 -7.490 1.00 34.21 H new ATOM 0 HG2 PRO A 46 -11.058 13.373 -5.566 1.00 22.20 H new ATOM 0 HG3 PRO A 46 -11.027 12.275 -6.931 1.00 22.20 H new ATOM 0 HD2 PRO A 46 -10.695 11.386 -4.379 1.00 32.34 H new ATOM 0 HD3 PRO A 46 -9.907 10.599 -5.731 1.00 32.34 H new ATOM 679 N ASP A 47 -7.080 15.143 -4.555 1.00 72.22 N ATOM 680 CA ASP A 47 -6.962 16.372 -3.779 1.00 4.32 C ATOM 681 C ASP A 47 -5.767 17.197 -4.246 1.00 33.44 C ATOM 682 O ASP A 47 -4.693 16.670 -4.535 1.00 71.42 O ATOM 683 CB ASP A 47 -6.824 16.048 -2.290 1.00 41.34 C ATOM 684 CG ASP A 47 -7.612 17.003 -1.415 1.00 12.01 C ATOM 685 OD1 ASP A 47 -8.771 17.310 -1.765 1.00 30.11 O ATOM 686 OD2 ASP A 47 -7.069 17.445 -0.381 1.00 15.54 O ATOM 0 H ASP A 47 -6.235 14.882 -5.063 1.00 72.22 H new ATOM 0 HA ASP A 47 -7.868 16.959 -3.933 1.00 4.32 H new ATOM 0 HB2 ASP A 47 -7.165 15.029 -2.110 1.00 41.34 H new ATOM 0 HB3 ASP A 47 -5.772 16.086 -2.009 1.00 41.34 H new ATOM 691 N PRO A 48 -5.956 18.523 -4.322 1.00 22.12 N ATOM 692 CA PRO A 48 -4.905 19.449 -4.754 1.00 22.42 C ATOM 693 C PRO A 48 -3.781 19.569 -3.729 1.00 72.43 C ATOM 694 O PRO A 48 -2.603 19.580 -4.084 1.00 24.42 O ATOM 695 CB PRO A 48 -5.644 20.782 -4.897 1.00 1.35 C ATOM 696 CG PRO A 48 -6.810 20.669 -3.977 1.00 23.31 C ATOM 697 CD PRO A 48 -7.211 19.220 -3.992 1.00 22.21 C ATOM 0 HA PRO A 48 -4.419 19.115 -5.671 1.00 22.42 H new ATOM 0 HB2 PRO A 48 -5.004 21.621 -4.624 1.00 1.35 H new ATOM 0 HB3 PRO A 48 -5.966 20.948 -5.925 1.00 1.35 H new ATOM 0 HG2 PRO A 48 -6.545 20.990 -2.970 1.00 23.31 H new ATOM 0 HG3 PRO A 48 -7.631 21.305 -4.308 1.00 23.31 H new ATOM 0 HD2 PRO A 48 -7.606 18.902 -3.027 1.00 22.21 H new ATOM 0 HD3 PRO A 48 -7.986 19.025 -4.733 1.00 22.21 H new ATOM 705 N LYS A 49 -4.154 19.659 -2.457 1.00 12.24 N ATOM 706 CA LYS A 49 -3.178 19.777 -1.380 1.00 34.01 C ATOM 707 C LYS A 49 -1.962 18.898 -1.649 1.00 61.14 C ATOM 708 O LYS A 49 -0.836 19.260 -1.310 1.00 61.22 O ATOM 709 CB LYS A 49 -3.816 19.391 -0.043 1.00 2.12 C ATOM 710 CG LYS A 49 -3.741 20.487 1.005 1.00 34.12 C ATOM 711 CD LYS A 49 -4.657 20.196 2.183 1.00 20.40 C ATOM 712 CE LYS A 49 -3.872 19.708 3.391 1.00 34.41 C ATOM 713 NZ LYS A 49 -3.786 18.222 3.433 1.00 23.31 N ATOM 0 H LYS A 49 -5.126 19.652 -2.147 1.00 12.24 H new ATOM 0 HA LYS A 49 -2.849 20.815 -1.332 1.00 34.01 H new ATOM 0 HB2 LYS A 49 -4.861 19.131 -0.210 1.00 2.12 H new ATOM 0 HB3 LYS A 49 -3.323 18.498 0.341 1.00 2.12 H new ATOM 0 HG2 LYS A 49 -2.714 20.585 1.357 1.00 34.12 H new ATOM 0 HG3 LYS A 49 -4.017 21.441 0.556 1.00 34.12 H new ATOM 0 HD2 LYS A 49 -5.210 21.097 2.447 1.00 20.40 H new ATOM 0 HD3 LYS A 49 -5.392 19.444 1.897 1.00 20.40 H new ATOM 0 HE2 LYS A 49 -2.867 20.129 3.365 1.00 34.41 H new ATOM 0 HE3 LYS A 49 -4.346 20.070 4.303 1.00 34.41 H new ATOM 0 HZ1 LYS A 49 -3.244 17.929 4.271 1.00 23.31 H new ATOM 0 HZ2 LYS A 49 -4.744 17.820 3.483 1.00 23.31 H new ATOM 0 HZ3 LYS A 49 -3.310 17.877 2.575 1.00 23.31 H new ATOM 727 N ALA A 50 -2.197 17.741 -2.262 1.00 0.45 N ATOM 728 CA ALA A 50 -1.120 16.813 -2.579 1.00 74.43 C ATOM 729 C ALA A 50 -0.598 17.041 -3.993 1.00 64.53 C ATOM 730 O ALA A 50 0.590 16.865 -4.264 1.00 12.14 O ATOM 731 CB ALA A 50 -1.596 15.377 -2.415 1.00 44.33 C ATOM 0 H ALA A 50 -3.124 17.425 -2.548 1.00 0.45 H new ATOM 0 HA ALA A 50 -0.300 16.994 -1.884 1.00 74.43 H new ATOM 0 HB1 ALA A 50 -0.781 14.694 -2.655 1.00 44.33 H new ATOM 0 HB2 ALA A 50 -1.914 15.215 -1.385 1.00 44.33 H new ATOM 0 HB3 ALA A 50 -2.434 15.192 -3.087 1.00 44.33 H new ATOM 737 N GLY A 51 -1.493 17.432 -4.894 1.00 51.51 N ATOM 738 CA GLY A 51 -1.104 17.677 -6.270 1.00 44.52 C ATOM 739 C GLY A 51 -1.691 16.661 -7.230 1.00 13.31 C ATOM 740 O GLY A 51 -1.050 16.276 -8.208 1.00 55.40 O ATOM 0 H GLY A 51 -2.482 17.584 -4.695 1.00 51.51 H new ATOM 0 HA2 GLY A 51 -1.426 18.676 -6.563 1.00 44.52 H new ATOM 0 HA3 GLY A 51 -0.017 17.657 -6.346 1.00 44.52 H new ATOM 744 N PHE A 52 -2.914 16.224 -6.948 1.00 71.12 N ATOM 745 CA PHE A 52 -3.589 15.243 -7.792 1.00 25.13 C ATOM 746 C PHE A 52 -5.093 15.495 -7.823 1.00 41.11 C ATOM 747 O PHE A 52 -5.856 14.946 -7.029 1.00 11.41 O ATOM 748 CB PHE A 52 -3.307 13.826 -7.287 1.00 41.23 C ATOM 749 CG PHE A 52 -1.866 13.422 -7.408 1.00 32.24 C ATOM 750 CD1 PHE A 52 -1.366 12.941 -8.606 1.00 45.54 C ATOM 751 CD2 PHE A 52 -1.012 13.521 -6.322 1.00 11.14 C ATOM 752 CE1 PHE A 52 -0.038 12.568 -8.720 1.00 55.34 C ATOM 753 CE2 PHE A 52 0.316 13.151 -6.430 1.00 33.13 C ATOM 754 CZ PHE A 52 0.802 12.673 -7.631 1.00 23.23 C ATOM 0 H PHE A 52 -3.458 16.533 -6.142 1.00 71.12 H new ATOM 0 HA PHE A 52 -3.202 15.344 -8.806 1.00 25.13 H new ATOM 0 HB2 PHE A 52 -3.610 13.754 -6.242 1.00 41.23 H new ATOM 0 HB3 PHE A 52 -3.922 13.121 -7.846 1.00 41.23 H new ATOM 0 HD1 PHE A 52 -2.020 12.856 -9.461 1.00 45.54 H new ATOM 0 HD2 PHE A 52 -1.388 13.892 -5.380 1.00 11.14 H new ATOM 0 HE1 PHE A 52 0.340 12.195 -9.660 1.00 55.34 H new ATOM 0 HE2 PHE A 52 0.972 13.236 -5.576 1.00 33.13 H new ATOM 0 HZ PHE A 52 1.838 12.382 -7.717 1.00 23.23 H new ATOM 764 N PRO A 53 -5.530 16.346 -8.763 1.00 2.14 N ATOM 765 CA PRO A 53 -6.946 16.691 -8.921 1.00 44.23 C ATOM 766 C PRO A 53 -7.771 15.526 -9.456 1.00 20.55 C ATOM 767 O PRO A 53 -8.981 15.643 -9.647 1.00 2.44 O ATOM 768 CB PRO A 53 -6.920 17.837 -9.936 1.00 52.35 C ATOM 769 CG PRO A 53 -5.664 17.630 -10.710 1.00 30.13 C ATOM 770 CD PRO A 53 -4.676 17.038 -9.744 1.00 31.20 C ATOM 0 HA PRO A 53 -7.409 16.954 -7.970 1.00 44.23 H new ATOM 0 HB2 PRO A 53 -7.795 17.810 -10.586 1.00 52.35 H new ATOM 0 HB3 PRO A 53 -6.923 18.807 -9.438 1.00 52.35 H new ATOM 0 HG2 PRO A 53 -5.832 16.962 -11.555 1.00 30.13 H new ATOM 0 HG3 PRO A 53 -5.296 18.572 -11.116 1.00 30.13 H new ATOM 0 HD2 PRO A 53 -3.993 16.348 -10.240 1.00 31.20 H new ATOM 0 HD3 PRO A 53 -4.065 17.807 -9.272 1.00 31.20 H new ATOM 778 N LYS A 54 -7.108 14.398 -9.693 1.00 52.23 N ATOM 779 CA LYS A 54 -7.780 13.209 -10.204 1.00 62.12 C ATOM 780 C LYS A 54 -7.536 12.012 -9.289 1.00 1.32 C ATOM 781 O LYS A 54 -8.324 11.067 -9.264 1.00 51.40 O ATOM 782 CB LYS A 54 -7.291 12.890 -11.619 1.00 31.15 C ATOM 783 CG LYS A 54 -5.817 12.532 -11.687 1.00 42.54 C ATOM 784 CD LYS A 54 -5.235 12.829 -13.059 1.00 64.33 C ATOM 785 CE LYS A 54 -4.277 14.009 -13.015 1.00 64.21 C ATOM 786 NZ LYS A 54 -4.920 15.264 -13.495 1.00 21.34 N ATOM 0 H LYS A 54 -6.106 14.283 -9.539 1.00 52.23 H new ATOM 0 HA LYS A 54 -8.851 13.411 -10.233 1.00 62.12 H new ATOM 0 HB2 LYS A 54 -7.876 12.062 -12.018 1.00 31.15 H new ATOM 0 HB3 LYS A 54 -7.477 13.751 -12.261 1.00 31.15 H new ATOM 0 HG2 LYS A 54 -5.270 13.093 -10.929 1.00 42.54 H new ATOM 0 HG3 LYS A 54 -5.687 11.475 -11.457 1.00 42.54 H new ATOM 0 HD2 LYS A 54 -4.712 11.948 -13.432 1.00 64.33 H new ATOM 0 HD3 LYS A 54 -6.043 13.041 -13.760 1.00 64.33 H new ATOM 0 HE2 LYS A 54 -3.922 14.150 -11.994 1.00 64.21 H new ATOM 0 HE3 LYS A 54 -3.403 13.791 -13.629 1.00 64.21 H new ATOM 0 HZ1 LYS A 54 -4.313 16.076 -13.263 1.00 21.34 H new ATOM 0 HZ2 LYS A 54 -5.052 15.214 -14.525 1.00 21.34 H new ATOM 0 HZ3 LYS A 54 -5.844 15.379 -13.032 1.00 21.34 H new ATOM 800 N GLY A 55 -6.441 12.061 -8.537 1.00 42.44 N ATOM 801 CA GLY A 55 -6.114 10.976 -7.630 1.00 55.34 C ATOM 802 C GLY A 55 -4.976 10.115 -8.142 1.00 10.14 C ATOM 803 O GLY A 55 -4.379 10.413 -9.175 1.00 42.43 O ATOM 0 H GLY A 55 -5.774 12.833 -8.540 1.00 42.44 H new ATOM 0 HA2 GLY A 55 -5.845 11.388 -6.658 1.00 55.34 H new ATOM 0 HA3 GLY A 55 -6.996 10.354 -7.479 1.00 55.34 H new ATOM 807 N VAL A 56 -4.673 9.045 -7.414 1.00 32.11 N ATOM 808 CA VAL A 56 -3.598 8.138 -7.799 1.00 52.10 C ATOM 809 C VAL A 56 -3.757 6.780 -7.126 1.00 22.04 C ATOM 810 O VAL A 56 -4.179 6.694 -5.973 1.00 32.54 O ATOM 811 CB VAL A 56 -2.218 8.720 -7.440 1.00 63.12 C ATOM 812 CG1 VAL A 56 -2.122 8.981 -5.945 1.00 4.00 C ATOM 813 CG2 VAL A 56 -1.110 7.784 -7.899 1.00 61.04 C ATOM 0 H VAL A 56 -5.157 8.785 -6.554 1.00 32.11 H new ATOM 0 HA VAL A 56 -3.661 8.013 -8.880 1.00 52.10 H new ATOM 0 HB VAL A 56 -2.097 9.671 -7.959 1.00 63.12 H new ATOM 0 HG11 VAL A 56 -1.140 9.392 -5.710 1.00 4.00 H new ATOM 0 HG12 VAL A 56 -2.893 9.692 -5.650 1.00 4.00 H new ATOM 0 HG13 VAL A 56 -2.263 8.046 -5.403 1.00 4.00 H new ATOM 0 HG21 VAL A 56 -0.142 8.211 -7.637 1.00 61.04 H new ATOM 0 HG22 VAL A 56 -1.225 6.817 -7.409 1.00 61.04 H new ATOM 0 HG23 VAL A 56 -1.169 7.653 -8.979 1.00 61.04 H new ATOM 823 N ALA A 57 -3.413 5.721 -7.852 1.00 11.23 N ATOM 824 CA ALA A 57 -3.514 4.366 -7.322 1.00 52.44 C ATOM 825 C ALA A 57 -2.262 3.557 -7.643 1.00 74.02 C ATOM 826 O ALA A 57 -1.887 3.411 -8.807 1.00 71.40 O ATOM 827 CB ALA A 57 -4.749 3.674 -7.879 1.00 15.02 C ATOM 0 H ALA A 57 -3.062 5.775 -8.808 1.00 11.23 H new ATOM 0 HA ALA A 57 -3.605 4.431 -6.238 1.00 52.44 H new ATOM 0 HB1 ALA A 57 -4.813 2.663 -7.476 1.00 15.02 H new ATOM 0 HB2 ALA A 57 -5.639 4.235 -7.595 1.00 15.02 H new ATOM 0 HB3 ALA A 57 -4.681 3.627 -8.966 1.00 15.02 H new ATOM 833 N VAL A 58 -1.620 3.035 -6.604 1.00 25.20 N ATOM 834 CA VAL A 58 -0.409 2.239 -6.775 1.00 74.14 C ATOM 835 C VAL A 58 -0.727 0.749 -6.775 1.00 20.40 C ATOM 836 O VAL A 58 -1.474 0.261 -5.925 1.00 42.33 O ATOM 837 CB VAL A 58 0.618 2.534 -5.666 1.00 5.30 C ATOM 838 CG1 VAL A 58 1.659 1.428 -5.595 1.00 30.34 C ATOM 839 CG2 VAL A 58 1.278 3.885 -5.899 1.00 1.33 C ATOM 0 H VAL A 58 -1.917 3.148 -5.635 1.00 25.20 H new ATOM 0 HA VAL A 58 0.019 2.516 -7.738 1.00 74.14 H new ATOM 0 HB VAL A 58 0.096 2.570 -4.710 1.00 5.30 H new ATOM 0 HG11 VAL A 58 2.376 1.654 -4.806 1.00 30.34 H new ATOM 0 HG12 VAL A 58 1.168 0.479 -5.379 1.00 30.34 H new ATOM 0 HG13 VAL A 58 2.180 1.357 -6.550 1.00 30.34 H new ATOM 0 HG21 VAL A 58 2.001 4.078 -5.107 1.00 1.33 H new ATOM 0 HG22 VAL A 58 1.788 3.879 -6.862 1.00 1.33 H new ATOM 0 HG23 VAL A 58 0.518 4.667 -5.895 1.00 1.33 H new ATOM 849 N VAL A 59 -0.155 0.026 -7.733 1.00 4.42 N ATOM 850 CA VAL A 59 -0.374 -1.411 -7.843 1.00 34.10 C ATOM 851 C VAL A 59 0.832 -2.193 -7.335 1.00 43.41 C ATOM 852 O VAL A 59 1.951 -1.677 -7.303 1.00 75.22 O ATOM 853 CB VAL A 59 -0.665 -1.825 -9.297 1.00 51.10 C ATOM 854 CG1 VAL A 59 -1.051 -3.294 -9.368 1.00 43.11 C ATOM 855 CG2 VAL A 59 -1.758 -0.950 -9.891 1.00 55.33 C ATOM 0 H VAL A 59 0.464 0.413 -8.445 1.00 4.42 H new ATOM 0 HA VAL A 59 -1.241 -1.646 -7.226 1.00 34.10 H new ATOM 0 HB VAL A 59 0.242 -1.684 -9.884 1.00 51.10 H new ATOM 0 HG11 VAL A 59 -1.253 -3.568 -10.404 1.00 43.11 H new ATOM 0 HG12 VAL A 59 -0.233 -3.904 -8.984 1.00 43.11 H new ATOM 0 HG13 VAL A 59 -1.944 -3.465 -8.767 1.00 43.11 H new ATOM 0 HG21 VAL A 59 -1.951 -1.256 -10.919 1.00 55.33 H new ATOM 0 HG22 VAL A 59 -2.670 -1.057 -9.303 1.00 55.33 H new ATOM 0 HG23 VAL A 59 -1.438 0.092 -9.877 1.00 55.33 H new ATOM 865 N LEU A 60 0.599 -3.438 -6.940 1.00 23.43 N ATOM 866 CA LEU A 60 1.668 -4.294 -6.434 1.00 1.41 C ATOM 867 C LEU A 60 1.365 -5.763 -6.706 1.00 52.40 C ATOM 868 O LEU A 60 0.760 -6.446 -5.879 1.00 54.25 O ATOM 869 CB LEU A 60 1.858 -4.070 -4.933 1.00 2.24 C ATOM 870 CG LEU A 60 2.284 -2.663 -4.512 1.00 3.32 C ATOM 871 CD1 LEU A 60 1.910 -2.403 -3.061 1.00 24.21 C ATOM 872 CD2 LEU A 60 3.780 -2.474 -4.720 1.00 72.32 C ATOM 0 H LEU A 60 -0.320 -3.879 -6.960 1.00 23.43 H new ATOM 0 HA LEU A 60 2.589 -4.031 -6.955 1.00 1.41 H new ATOM 0 HB2 LEU A 60 0.922 -4.310 -4.429 1.00 2.24 H new ATOM 0 HB3 LEU A 60 2.605 -4.777 -4.572 1.00 2.24 H new ATOM 0 HG LEU A 60 1.756 -1.943 -5.137 1.00 3.32 H new ATOM 0 HD11 LEU A 60 2.221 -1.397 -2.780 1.00 24.21 H new ATOM 0 HD12 LEU A 60 0.831 -2.496 -2.941 1.00 24.21 H new ATOM 0 HD13 LEU A 60 2.410 -3.130 -2.421 1.00 24.21 H new ATOM 0 HD21 LEU A 60 4.065 -1.467 -4.415 1.00 72.32 H new ATOM 0 HD22 LEU A 60 4.326 -3.203 -4.121 1.00 72.32 H new ATOM 0 HD23 LEU A 60 4.022 -2.616 -5.773 1.00 72.32 H new ATOM 884 N ASP A 61 1.791 -6.244 -7.868 1.00 43.31 N ATOM 885 CA ASP A 61 1.569 -7.634 -8.249 1.00 32.32 C ATOM 886 C ASP A 61 2.321 -8.579 -7.317 1.00 63.13 C ATOM 887 O ASP A 61 3.513 -8.828 -7.499 1.00 63.14 O ATOM 888 CB ASP A 61 2.009 -7.866 -9.696 1.00 35.44 C ATOM 889 CG ASP A 61 2.436 -9.298 -9.948 1.00 61.22 C ATOM 890 OD1 ASP A 61 1.928 -10.202 -9.250 1.00 51.51 O ATOM 891 OD2 ASP A 61 3.278 -9.517 -10.844 1.00 15.01 O ATOM 0 H ASP A 61 2.293 -5.692 -8.563 1.00 43.31 H new ATOM 0 HA ASP A 61 0.502 -7.842 -8.165 1.00 32.32 H new ATOM 0 HB2 ASP A 61 1.189 -7.611 -10.367 1.00 35.44 H new ATOM 0 HB3 ASP A 61 2.836 -7.196 -9.933 1.00 35.44 H new ATOM 896 N LEU A 62 1.617 -9.103 -6.321 1.00 33.23 N ATOM 897 CA LEU A 62 2.218 -10.021 -5.359 1.00 24.22 C ATOM 898 C LEU A 62 2.070 -11.467 -5.821 1.00 24.30 C ATOM 899 O LEU A 62 1.177 -11.790 -6.604 1.00 44.14 O ATOM 900 CB LEU A 62 1.574 -9.845 -3.983 1.00 12.31 C ATOM 901 CG LEU A 62 1.321 -8.403 -3.541 1.00 2.41 C ATOM 902 CD1 LEU A 62 0.668 -8.373 -2.167 1.00 44.22 C ATOM 903 CD2 LEU A 62 2.621 -7.611 -3.533 1.00 63.40 C ATOM 0 H LEU A 62 0.629 -8.908 -6.158 1.00 33.23 H new ATOM 0 HA LEU A 62 3.280 -9.788 -5.288 1.00 24.22 H new ATOM 0 HB2 LEU A 62 0.623 -10.378 -3.978 1.00 12.31 H new ATOM 0 HB3 LEU A 62 2.212 -10.325 -3.241 1.00 12.31 H new ATOM 0 HG LEU A 62 0.641 -7.939 -4.255 1.00 2.41 H new ATOM 0 HD11 LEU A 62 0.495 -7.339 -1.869 1.00 44.22 H new ATOM 0 HD12 LEU A 62 -0.283 -8.903 -2.205 1.00 44.22 H new ATOM 0 HD13 LEU A 62 1.324 -8.855 -1.442 1.00 44.22 H new ATOM 0 HD21 LEU A 62 2.421 -6.587 -3.216 1.00 63.40 H new ATOM 0 HD22 LEU A 62 3.325 -8.074 -2.842 1.00 63.40 H new ATOM 0 HD23 LEU A 62 3.049 -7.603 -4.536 1.00 63.40 H new ATOM 915 N TRP A 63 2.948 -12.333 -5.328 1.00 64.31 N ATOM 916 CA TRP A 63 2.913 -13.746 -5.688 1.00 41.03 C ATOM 917 C TRP A 63 3.448 -14.611 -4.552 1.00 54.02 C ATOM 918 O TRP A 63 4.656 -14.664 -4.315 1.00 33.24 O ATOM 919 CB TRP A 63 3.729 -13.990 -6.959 1.00 13.22 C ATOM 920 CG TRP A 63 2.944 -13.777 -8.219 1.00 5.52 C ATOM 921 CD1 TRP A 63 3.259 -12.935 -9.247 1.00 60.14 C ATOM 922 CD2 TRP A 63 1.715 -14.415 -8.581 1.00 21.21 C ATOM 923 NE1 TRP A 63 2.299 -13.012 -10.227 1.00 40.14 N ATOM 924 CE2 TRP A 63 1.342 -13.913 -9.842 1.00 61.32 C ATOM 925 CE3 TRP A 63 0.895 -15.362 -7.963 1.00 64.33 C ATOM 926 CZ2 TRP A 63 0.183 -14.327 -10.495 1.00 3.23 C ATOM 927 CZ3 TRP A 63 -0.254 -15.772 -8.611 1.00 23.42 C ATOM 928 CH2 TRP A 63 -0.601 -15.256 -9.867 1.00 11.11 C ATOM 0 H TRP A 63 3.693 -12.082 -4.678 1.00 64.31 H new ATOM 0 HA TRP A 63 1.875 -14.023 -5.872 1.00 41.03 H new ATOM 0 HB2 TRP A 63 4.593 -13.325 -6.961 1.00 13.22 H new ATOM 0 HB3 TRP A 63 4.112 -15.010 -6.946 1.00 13.22 H new ATOM 0 HD1 TRP A 63 4.133 -12.302 -9.284 1.00 60.14 H new ATOM 0 HE1 TRP A 63 2.299 -12.484 -11.100 1.00 40.14 H new ATOM 0 HE3 TRP A 63 1.155 -15.766 -6.996 1.00 64.33 H new ATOM 0 HZ2 TRP A 63 -0.087 -13.929 -11.462 1.00 3.23 H new ATOM 0 HZ3 TRP A 63 -0.896 -16.503 -8.142 1.00 23.42 H new ATOM 0 HH2 TRP A 63 -1.505 -15.598 -10.349 1.00 11.11 H new ATOM 939 N HIS A 64 2.543 -15.288 -3.853 1.00 53.11 N ATOM 940 CA HIS A 64 2.925 -16.152 -2.742 1.00 22.35 C ATOM 941 C HIS A 64 3.602 -15.347 -1.636 1.00 72.24 C ATOM 942 O HIS A 64 4.545 -15.818 -1.001 1.00 14.23 O ATOM 943 CB HIS A 64 3.859 -17.260 -3.228 1.00 4.05 C ATOM 944 CG HIS A 64 3.165 -18.327 -4.016 1.00 51.45 C ATOM 945 ND1 HIS A 64 3.464 -19.668 -3.896 1.00 10.53 N ATOM 946 CD2 HIS A 64 2.179 -18.245 -4.940 1.00 40.22 C ATOM 947 CE1 HIS A 64 2.693 -20.364 -4.712 1.00 15.44 C ATOM 948 NE2 HIS A 64 1.903 -19.523 -5.357 1.00 64.44 N ATOM 0 H HIS A 64 1.540 -15.255 -4.036 1.00 53.11 H new ATOM 0 HA HIS A 64 2.019 -16.603 -2.336 1.00 22.35 H new ATOM 0 HB2 HIS A 64 4.644 -16.819 -3.843 1.00 4.05 H new ATOM 0 HB3 HIS A 64 4.347 -17.716 -2.367 1.00 4.05 H new ATOM 0 HD2 HIS A 64 1.699 -17.341 -5.285 1.00 40.22 H new ATOM 0 HE1 HIS A 64 2.706 -21.437 -4.832 1.00 15.44 H new ATOM 0 HE2 HIS A 64 1.202 -19.782 -6.052 1.00 64.44 H new ATOM 957 N GLY A 65 3.113 -14.132 -1.411 1.00 42.43 N ATOM 958 CA GLY A 65 3.683 -13.281 -0.383 1.00 2.31 C ATOM 959 C GLY A 65 4.832 -12.437 -0.899 1.00 41.13 C ATOM 960 O GLY A 65 5.118 -11.369 -0.360 1.00 21.40 O ATOM 0 H GLY A 65 2.332 -13.721 -1.922 1.00 42.43 H new ATOM 0 HA2 GLY A 65 2.907 -12.628 0.015 1.00 2.31 H new ATOM 0 HA3 GLY A 65 4.033 -13.900 0.443 1.00 2.31 H new ATOM 964 N ALA A 66 5.494 -12.919 -1.947 1.00 74.04 N ATOM 965 CA ALA A 66 6.618 -12.201 -2.536 1.00 31.22 C ATOM 966 C ALA A 66 6.161 -11.322 -3.695 1.00 34.33 C ATOM 967 O ALA A 66 5.459 -11.781 -4.597 1.00 2.21 O ATOM 968 CB ALA A 66 7.683 -13.182 -3.004 1.00 14.03 C ATOM 0 H ALA A 66 5.271 -13.803 -2.405 1.00 74.04 H new ATOM 0 HA ALA A 66 7.046 -11.554 -1.770 1.00 31.22 H new ATOM 0 HB1 ALA A 66 8.517 -12.633 -3.442 1.00 14.03 H new ATOM 0 HB2 ALA A 66 8.039 -13.765 -2.155 1.00 14.03 H new ATOM 0 HB3 ALA A 66 7.258 -13.852 -3.751 1.00 14.03 H new ATOM 974 N CYS A 67 6.561 -10.055 -3.664 1.00 62.33 N ATOM 975 CA CYS A 67 6.192 -9.110 -4.711 1.00 13.01 C ATOM 976 C CYS A 67 6.753 -9.547 -6.061 1.00 21.30 C ATOM 977 O CYS A 67 7.562 -10.473 -6.138 1.00 55.43 O ATOM 978 CB CYS A 67 6.701 -7.709 -4.365 1.00 74.32 C ATOM 979 SG CYS A 67 5.633 -6.361 -4.969 1.00 24.33 S ATOM 0 H CYS A 67 7.141 -9.659 -2.924 1.00 62.33 H new ATOM 0 HA CYS A 67 5.104 -9.088 -4.779 1.00 13.01 H new ATOM 0 HB2 CYS A 67 6.796 -7.626 -3.282 1.00 74.32 H new ATOM 0 HB3 CYS A 67 7.699 -7.583 -4.784 1.00 74.32 H new ATOM 984 N ARG A 68 6.318 -8.876 -7.122 1.00 53.22 N ATOM 985 CA ARG A 68 6.775 -9.196 -8.469 1.00 41.43 C ATOM 986 C ARG A 68 6.773 -7.952 -9.353 1.00 13.32 C ATOM 987 O ARG A 68 7.797 -7.585 -9.928 1.00 61.42 O ATOM 988 CB ARG A 68 5.887 -10.277 -9.089 1.00 53.53 C ATOM 989 CG ARG A 68 6.598 -11.124 -10.132 1.00 14.53 C ATOM 990 CD ARG A 68 7.425 -12.224 -9.486 1.00 10.32 C ATOM 991 NE ARG A 68 8.673 -12.464 -10.206 1.00 24.03 N ATOM 992 CZ ARG A 68 9.745 -13.022 -9.653 1.00 71.40 C ATOM 993 NH1 ARG A 68 9.720 -13.395 -8.380 1.00 50.22 N ATOM 994 NH2 ARG A 68 10.843 -13.208 -10.373 1.00 41.30 N ATOM 0 H ARG A 68 5.649 -8.107 -7.075 1.00 53.22 H new ATOM 0 HA ARG A 68 7.796 -9.570 -8.400 1.00 41.43 H new ATOM 0 HB2 ARG A 68 5.514 -10.927 -8.298 1.00 53.53 H new ATOM 0 HB3 ARG A 68 5.019 -9.803 -9.548 1.00 53.53 H new ATOM 0 HG2 ARG A 68 5.864 -11.567 -10.805 1.00 14.53 H new ATOM 0 HG3 ARG A 68 7.244 -10.490 -10.738 1.00 14.53 H new ATOM 0 HD2 ARG A 68 7.648 -11.952 -8.454 1.00 10.32 H new ATOM 0 HD3 ARG A 68 6.842 -13.144 -9.454 1.00 10.32 H new ATOM 0 HE ARG A 68 8.725 -12.188 -11.187 1.00 24.03 H new ATOM 0 HH11 ARG A 68 8.877 -13.254 -7.824 1.00 50.22 H new ATOM 0 HH12 ARG A 68 10.544 -13.823 -7.958 1.00 50.22 H new ATOM 0 HH21 ARG A 68 10.865 -12.923 -11.352 1.00 41.30 H new ATOM 0 HH22 ARG A 68 11.665 -13.636 -9.948 1.00 41.30 H new ATOM 1008 N GLY A 69 5.615 -7.307 -9.456 1.00 0.33 N ATOM 1009 CA GLY A 69 5.501 -6.111 -10.272 1.00 24.41 C ATOM 1010 C GLY A 69 4.760 -4.995 -9.564 1.00 51.05 C ATOM 1011 O GLY A 69 4.017 -5.239 -8.614 1.00 63.11 O ATOM 0 H GLY A 69 4.754 -7.591 -8.989 1.00 0.33 H new ATOM 0 HA2 GLY A 69 6.498 -5.765 -10.545 1.00 24.41 H new ATOM 0 HA3 GLY A 69 4.983 -6.356 -11.199 1.00 24.41 H new ATOM 1015 N ALA A 70 4.963 -3.765 -10.027 1.00 33.51 N ATOM 1016 CA ALA A 70 4.308 -2.608 -9.433 1.00 1.12 C ATOM 1017 C ALA A 70 4.185 -1.469 -10.440 1.00 20.43 C ATOM 1018 O ALA A 70 5.142 -1.141 -11.142 1.00 32.44 O ATOM 1019 CB ALA A 70 5.071 -2.144 -8.200 1.00 72.40 C ATOM 0 H ALA A 70 5.576 -3.546 -10.812 1.00 33.51 H new ATOM 0 HA ALA A 70 3.303 -2.905 -9.135 1.00 1.12 H new ATOM 0 HB1 ALA A 70 4.570 -1.279 -7.766 1.00 72.40 H new ATOM 0 HB2 ALA A 70 5.102 -2.950 -7.467 1.00 72.40 H new ATOM 0 HB3 ALA A 70 6.088 -1.871 -8.483 1.00 72.40 H new ATOM 1025 N LYS A 71 3.001 -0.869 -10.506 1.00 10.12 N ATOM 1026 CA LYS A 71 2.752 0.234 -11.427 1.00 12.13 C ATOM 1027 C LYS A 71 1.768 1.232 -10.827 1.00 31.24 C ATOM 1028 O LYS A 71 0.785 0.846 -10.194 1.00 40.41 O ATOM 1029 CB LYS A 71 2.210 -0.297 -12.756 1.00 10.13 C ATOM 1030 CG LYS A 71 0.893 -1.043 -12.621 1.00 3.43 C ATOM 1031 CD LYS A 71 0.147 -1.099 -13.944 1.00 20.42 C ATOM 1032 CE LYS A 71 -0.871 -2.229 -13.960 1.00 14.31 C ATOM 1033 NZ LYS A 71 -2.258 -1.723 -14.154 1.00 42.33 N ATOM 0 H LYS A 71 2.198 -1.128 -9.932 1.00 10.12 H new ATOM 0 HA LYS A 71 3.698 0.746 -11.606 1.00 12.13 H new ATOM 0 HB2 LYS A 71 2.076 0.538 -13.444 1.00 10.13 H new ATOM 0 HB3 LYS A 71 2.950 -0.961 -13.201 1.00 10.13 H new ATOM 0 HG2 LYS A 71 1.082 -2.056 -12.265 1.00 3.43 H new ATOM 0 HG3 LYS A 71 0.271 -0.553 -11.872 1.00 3.43 H new ATOM 0 HD2 LYS A 71 -0.359 -0.149 -14.119 1.00 20.42 H new ATOM 0 HD3 LYS A 71 0.858 -1.236 -14.759 1.00 20.42 H new ATOM 0 HE2 LYS A 71 -0.625 -2.929 -14.759 1.00 14.31 H new ATOM 0 HE3 LYS A 71 -0.814 -2.782 -13.023 1.00 14.31 H new ATOM 0 HZ1 LYS A 71 -2.922 -2.523 -14.159 1.00 42.33 H new ATOM 0 HZ2 LYS A 71 -2.503 -1.075 -13.378 1.00 42.33 H new ATOM 0 HZ3 LYS A 71 -2.319 -1.217 -15.060 1.00 42.33 H new ATOM 1047 N ALA A 72 2.038 2.518 -11.029 1.00 61.11 N ATOM 1048 CA ALA A 72 1.174 3.571 -10.511 1.00 4.02 C ATOM 1049 C ALA A 72 0.065 3.909 -11.501 1.00 32.45 C ATOM 1050 O ALA A 72 0.194 3.663 -12.700 1.00 74.52 O ATOM 1051 CB ALA A 72 1.993 4.813 -10.187 1.00 73.03 C ATOM 0 H ALA A 72 2.849 2.855 -11.548 1.00 61.11 H new ATOM 0 HA ALA A 72 0.708 3.207 -9.595 1.00 4.02 H new ATOM 0 HB1 ALA A 72 1.335 5.592 -9.801 1.00 73.03 H new ATOM 0 HB2 ALA A 72 2.745 4.568 -9.437 1.00 73.03 H new ATOM 0 HB3 ALA A 72 2.486 5.170 -11.091 1.00 73.03 H new ATOM 1057 N VAL A 73 -1.025 4.472 -10.992 1.00 14.54 N ATOM 1058 CA VAL A 73 -2.158 4.843 -11.832 1.00 3.55 C ATOM 1059 C VAL A 73 -2.658 6.243 -11.492 1.00 32.32 C ATOM 1060 O VAL A 73 -2.637 6.655 -10.332 1.00 42.21 O ATOM 1061 CB VAL A 73 -3.320 3.844 -11.681 1.00 33.12 C ATOM 1062 CG1 VAL A 73 -4.503 4.268 -12.538 1.00 60.43 C ATOM 1063 CG2 VAL A 73 -2.864 2.439 -12.044 1.00 23.24 C ATOM 0 H VAL A 73 -1.148 4.682 -10.001 1.00 14.54 H new ATOM 0 HA VAL A 73 -1.807 4.826 -12.864 1.00 3.55 H new ATOM 0 HB VAL A 73 -3.640 3.840 -10.639 1.00 33.12 H new ATOM 0 HG11 VAL A 73 -5.315 3.550 -12.419 1.00 60.43 H new ATOM 0 HG12 VAL A 73 -4.843 5.255 -12.226 1.00 60.43 H new ATOM 0 HG13 VAL A 73 -4.200 4.303 -13.585 1.00 60.43 H new ATOM 0 HG21 VAL A 73 -3.697 1.746 -11.932 1.00 23.24 H new ATOM 0 HG22 VAL A 73 -2.517 2.425 -13.077 1.00 23.24 H new ATOM 0 HG23 VAL A 73 -2.051 2.138 -11.384 1.00 23.24 H new ATOM 1073 N GLU A 74 -3.109 6.969 -12.510 1.00 65.24 N ATOM 1074 CA GLU A 74 -3.614 8.322 -12.319 1.00 54.21 C ATOM 1075 C GLU A 74 -5.134 8.322 -12.186 1.00 55.03 C ATOM 1076 O GLU A 74 -5.845 7.832 -13.064 1.00 2.22 O ATOM 1077 CB GLU A 74 -3.194 9.217 -13.487 1.00 5.13 C ATOM 1078 CG GLU A 74 -1.693 9.255 -13.715 1.00 43.22 C ATOM 1079 CD GLU A 74 -1.324 9.801 -15.081 1.00 42.43 C ATOM 1080 OE1 GLU A 74 -1.513 9.076 -16.080 1.00 65.22 O ATOM 1081 OE2 GLU A 74 -0.846 10.952 -15.151 1.00 53.23 O ATOM 0 H GLU A 74 -3.135 6.642 -13.476 1.00 65.24 H new ATOM 0 HA GLU A 74 -3.186 8.715 -11.397 1.00 54.21 H new ATOM 0 HB2 GLU A 74 -3.682 8.866 -14.396 1.00 5.13 H new ATOM 0 HB3 GLU A 74 -3.551 10.230 -13.304 1.00 5.13 H new ATOM 0 HG2 GLU A 74 -1.228 9.870 -12.944 1.00 43.22 H new ATOM 0 HG3 GLU A 74 -1.287 8.249 -13.608 1.00 43.22 H new ATOM 1120 N GLU A 78 -7.561 -0.691 -10.781 1.00 20.10 N ATOM 1121 CA GLU A 78 -8.182 -1.928 -11.241 1.00 10.10 C ATOM 1122 C GLU A 78 -7.342 -3.138 -10.845 1.00 22.30 C ATOM 1123 O GLU A 78 -6.298 -3.405 -11.441 1.00 74.12 O ATOM 1124 CB GLU A 78 -8.369 -1.898 -12.759 1.00 64.15 C ATOM 1125 CG GLU A 78 -9.285 -2.992 -13.282 1.00 1.44 C ATOM 1126 CD GLU A 78 -9.582 -2.846 -14.762 1.00 0.23 C ATOM 1127 OE1 GLU A 78 -8.634 -2.938 -15.568 1.00 40.42 O ATOM 1128 OE2 GLU A 78 -10.763 -2.641 -15.112 1.00 52.44 O ATOM 0 HA GLU A 78 -9.158 -2.013 -10.764 1.00 10.10 H new ATOM 0 HB2 GLU A 78 -8.774 -0.928 -13.047 1.00 64.15 H new ATOM 0 HB3 GLU A 78 -7.395 -1.992 -13.238 1.00 64.15 H new ATOM 0 HG2 GLU A 78 -8.824 -3.963 -13.102 1.00 1.44 H new ATOM 0 HG3 GLU A 78 -10.221 -2.975 -12.724 1.00 1.44 H new ATOM 1135 N ALA A 79 -7.803 -3.867 -9.833 1.00 42.11 N ATOM 1136 CA ALA A 79 -7.096 -5.049 -9.358 1.00 63.20 C ATOM 1137 C ALA A 79 -7.975 -5.878 -8.428 1.00 30.21 C ATOM 1138 O ALA A 79 -9.041 -5.432 -8.004 1.00 2.11 O ATOM 1139 CB ALA A 79 -5.810 -4.646 -8.650 1.00 40.44 C ATOM 0 H ALA A 79 -8.664 -3.659 -9.327 1.00 42.11 H new ATOM 0 HA ALA A 79 -6.845 -5.664 -10.223 1.00 63.20 H new ATOM 0 HB1 ALA A 79 -5.292 -5.539 -8.300 1.00 40.44 H new ATOM 0 HB2 ALA A 79 -5.168 -4.102 -9.343 1.00 40.44 H new ATOM 0 HB3 ALA A 79 -6.048 -4.008 -7.799 1.00 40.44 H new ATOM 1145 N ASP A 80 -7.523 -7.088 -8.117 1.00 62.00 N ATOM 1146 CA ASP A 80 -8.268 -7.980 -7.236 1.00 71.23 C ATOM 1147 C ASP A 80 -8.774 -7.233 -6.007 1.00 14.11 C ATOM 1148 O ASP A 80 -9.940 -7.354 -5.629 1.00 43.03 O ATOM 1149 CB ASP A 80 -7.393 -9.159 -6.808 1.00 43.31 C ATOM 1150 CG ASP A 80 -7.996 -10.497 -7.188 1.00 50.44 C ATOM 1151 OD1 ASP A 80 -7.729 -10.970 -8.312 1.00 52.43 O ATOM 1152 OD2 ASP A 80 -8.736 -11.070 -6.361 1.00 71.14 O ATOM 0 H ASP A 80 -6.644 -7.474 -8.462 1.00 62.00 H new ATOM 0 HA ASP A 80 -9.128 -8.359 -7.788 1.00 71.23 H new ATOM 0 HB2 ASP A 80 -6.410 -9.063 -7.268 1.00 43.31 H new ATOM 0 HB3 ASP A 80 -7.245 -9.124 -5.729 1.00 43.31 H new ATOM 1157 N PHE A 81 -7.890 -6.460 -5.385 1.00 64.52 N ATOM 1158 CA PHE A 81 -8.245 -5.694 -4.196 1.00 72.30 C ATOM 1159 C PHE A 81 -7.916 -4.216 -4.382 1.00 74.12 C ATOM 1160 O PHE A 81 -6.778 -3.855 -4.682 1.00 63.44 O ATOM 1161 CB PHE A 81 -7.509 -6.242 -2.971 1.00 63.24 C ATOM 1162 CG PHE A 81 -7.771 -7.699 -2.716 1.00 2.00 C ATOM 1163 CD1 PHE A 81 -8.964 -8.112 -2.147 1.00 64.42 C ATOM 1164 CD2 PHE A 81 -6.823 -8.655 -3.046 1.00 43.24 C ATOM 1165 CE1 PHE A 81 -9.207 -9.452 -1.911 1.00 21.05 C ATOM 1166 CE2 PHE A 81 -7.061 -9.996 -2.812 1.00 64.04 C ATOM 1167 CZ PHE A 81 -8.255 -10.395 -2.245 1.00 62.11 C ATOM 0 H PHE A 81 -6.922 -6.347 -5.685 1.00 64.52 H new ATOM 0 HA PHE A 81 -9.319 -5.792 -4.040 1.00 72.30 H new ATOM 0 HB2 PHE A 81 -6.438 -6.092 -3.103 1.00 63.24 H new ATOM 0 HB3 PHE A 81 -7.805 -5.669 -2.093 1.00 63.24 H new ATOM 0 HD1 PHE A 81 -9.713 -7.379 -1.885 1.00 64.42 H new ATOM 0 HD2 PHE A 81 -5.888 -8.348 -3.491 1.00 43.24 H new ATOM 0 HE1 PHE A 81 -10.141 -9.761 -1.466 1.00 21.05 H new ATOM 0 HE2 PHE A 81 -6.314 -10.731 -3.072 1.00 64.04 H new ATOM 0 HZ PHE A 81 -8.444 -11.443 -2.063 1.00 62.11 H new ATOM 1177 N VAL A 82 -8.921 -3.366 -4.203 1.00 51.51 N ATOM 1178 CA VAL A 82 -8.740 -1.926 -4.351 1.00 61.22 C ATOM 1179 C VAL A 82 -9.242 -1.179 -3.120 1.00 23.23 C ATOM 1180 O VAL A 82 -10.398 -1.326 -2.721 1.00 62.32 O ATOM 1181 CB VAL A 82 -9.473 -1.392 -5.595 1.00 73.43 C ATOM 1182 CG1 VAL A 82 -9.496 0.128 -5.591 1.00 53.45 C ATOM 1183 CG2 VAL A 82 -8.822 -1.920 -6.864 1.00 62.53 C ATOM 0 H VAL A 82 -9.869 -3.649 -3.955 1.00 51.51 H new ATOM 0 HA VAL A 82 -7.670 -1.753 -4.467 1.00 61.22 H new ATOM 0 HB VAL A 82 -10.503 -1.746 -5.568 1.00 73.43 H new ATOM 0 HG11 VAL A 82 -10.018 0.486 -6.478 1.00 53.45 H new ATOM 0 HG12 VAL A 82 -10.012 0.482 -4.698 1.00 53.45 H new ATOM 0 HG13 VAL A 82 -8.474 0.507 -5.594 1.00 53.45 H new ATOM 0 HG21 VAL A 82 -9.353 -1.533 -7.734 1.00 62.53 H new ATOM 0 HG22 VAL A 82 -7.782 -1.597 -6.901 1.00 62.53 H new ATOM 0 HG23 VAL A 82 -8.864 -3.009 -6.869 1.00 62.53 H new ATOM 1193 N ILE A 83 -8.366 -0.380 -2.522 1.00 52.31 N ATOM 1194 CA ILE A 83 -8.721 0.391 -1.337 1.00 11.53 C ATOM 1195 C ILE A 83 -8.553 1.886 -1.583 1.00 14.54 C ATOM 1196 O ILE A 83 -7.478 2.346 -1.963 1.00 4.20 O ATOM 1197 CB ILE A 83 -7.866 -0.016 -0.123 1.00 21.31 C ATOM 1198 CG1 ILE A 83 -7.806 -1.541 -0.003 1.00 4.45 C ATOM 1199 CG2 ILE A 83 -8.427 0.598 1.151 1.00 4.42 C ATOM 1200 CD1 ILE A 83 -9.126 -2.169 0.384 1.00 31.43 C ATOM 0 H ILE A 83 -7.405 -0.249 -2.838 1.00 52.31 H new ATOM 0 HA ILE A 83 -9.768 0.175 -1.123 1.00 11.53 H new ATOM 0 HB ILE A 83 -6.853 0.360 -0.269 1.00 21.31 H new ATOM 0 HG12 ILE A 83 -7.479 -1.960 -0.955 1.00 4.45 H new ATOM 0 HG13 ILE A 83 -7.054 -1.810 0.739 1.00 4.45 H new ATOM 0 HG21 ILE A 83 -7.811 0.301 2.000 1.00 4.42 H new ATOM 0 HG22 ILE A 83 -8.424 1.684 1.063 1.00 4.42 H new ATOM 0 HG23 ILE A 83 -9.448 0.249 1.304 1.00 4.42 H new ATOM 0 HD11 ILE A 83 -9.009 -3.251 0.450 1.00 31.43 H new ATOM 0 HD12 ILE A 83 -9.445 -1.779 1.350 1.00 31.43 H new ATOM 0 HD13 ILE A 83 -9.877 -1.931 -0.369 1.00 31.43 H new ATOM 1212 N GLU A 84 -9.626 2.641 -1.362 1.00 23.10 N ATOM 1213 CA GLU A 84 -9.596 4.085 -1.560 1.00 11.25 C ATOM 1214 C GLU A 84 -9.727 4.820 -0.228 1.00 72.21 C ATOM 1215 O GLU A 84 -10.581 4.488 0.594 1.00 2.12 O ATOM 1216 CB GLU A 84 -10.720 4.517 -2.504 1.00 15.12 C ATOM 1217 CG GLU A 84 -11.026 6.004 -2.449 1.00 2.23 C ATOM 1218 CD GLU A 84 -12.095 6.418 -3.441 1.00 44.21 C ATOM 1219 OE1 GLU A 84 -11.839 6.326 -4.660 1.00 0.43 O ATOM 1220 OE2 GLU A 84 -13.187 6.832 -2.998 1.00 43.24 O ATOM 0 H GLU A 84 -10.525 2.277 -1.046 1.00 23.10 H new ATOM 0 HA GLU A 84 -8.636 4.344 -2.007 1.00 11.25 H new ATOM 0 HB2 GLU A 84 -10.448 4.248 -3.525 1.00 15.12 H new ATOM 0 HB3 GLU A 84 -11.624 3.960 -2.258 1.00 15.12 H new ATOM 0 HG2 GLU A 84 -11.349 6.267 -1.442 1.00 2.23 H new ATOM 0 HG3 GLU A 84 -10.114 6.566 -2.648 1.00 2.23 H new ATOM 1227 N ALA A 85 -8.875 5.818 -0.022 1.00 63.34 N ATOM 1228 CA ALA A 85 -8.895 6.600 1.207 1.00 12.14 C ATOM 1229 C ALA A 85 -8.193 7.940 1.018 1.00 53.02 C ATOM 1230 O ALA A 85 -7.542 8.172 -0.002 1.00 2.04 O ATOM 1231 CB ALA A 85 -8.246 5.818 2.341 1.00 53.13 C ATOM 0 H ALA A 85 -8.161 6.104 -0.692 1.00 63.34 H new ATOM 0 HA ALA A 85 -9.935 6.798 1.465 1.00 12.14 H new ATOM 0 HB1 ALA A 85 -8.268 6.414 3.253 1.00 53.13 H new ATOM 0 HB2 ALA A 85 -8.793 4.889 2.502 1.00 53.13 H new ATOM 0 HB3 ALA A 85 -7.212 5.590 2.081 1.00 53.13 H new ATOM 1237 N ASP A 86 -8.331 8.819 2.003 1.00 2.24 N ATOM 1238 CA ASP A 86 -7.709 10.138 1.945 1.00 34.21 C ATOM 1239 C ASP A 86 -6.206 10.041 2.182 1.00 24.53 C ATOM 1240 O ASP A 86 -5.757 9.413 3.143 1.00 64.55 O ATOM 1241 CB ASP A 86 -8.342 11.070 2.980 1.00 65.43 C ATOM 1242 CG ASP A 86 -9.614 11.720 2.472 1.00 23.14 C ATOM 1243 OD1 ASP A 86 -9.514 12.744 1.765 1.00 44.14 O ATOM 1244 OD2 ASP A 86 -10.708 11.205 2.782 1.00 30.15 O ATOM 0 H ASP A 86 -8.868 8.643 2.852 1.00 2.24 H new ATOM 0 HA ASP A 86 -7.876 10.547 0.949 1.00 34.21 H new ATOM 0 HB2 ASP A 86 -8.563 10.506 3.886 1.00 65.43 H new ATOM 0 HB3 ASP A 86 -7.626 11.845 3.253 1.00 65.43 H new ATOM 1249 N LEU A 87 -5.431 10.664 1.301 1.00 52.02 N ATOM 1250 CA LEU A 87 -3.977 10.647 1.412 1.00 30.54 C ATOM 1251 C LEU A 87 -3.541 10.802 2.866 1.00 74.41 C ATOM 1252 O LEU A 87 -2.656 10.088 3.339 1.00 43.44 O ATOM 1253 CB LEU A 87 -3.368 11.764 0.564 1.00 2.01 C ATOM 1254 CG LEU A 87 -1.845 11.897 0.622 1.00 31.24 C ATOM 1255 CD1 LEU A 87 -1.179 10.671 0.019 1.00 63.53 C ATOM 1256 CD2 LEU A 87 -1.392 13.161 -0.094 1.00 73.45 C ATOM 0 H LEU A 87 -5.786 11.188 0.501 1.00 52.02 H new ATOM 0 HA LEU A 87 -3.620 9.685 1.045 1.00 30.54 H new ATOM 0 HB2 LEU A 87 -3.659 11.605 -0.474 1.00 2.01 H new ATOM 0 HB3 LEU A 87 -3.808 12.711 0.877 1.00 2.01 H new ATOM 0 HG LEU A 87 -1.545 11.970 1.667 1.00 31.24 H new ATOM 0 HD11 LEU A 87 -0.096 10.784 0.069 1.00 63.53 H new ATOM 0 HD12 LEU A 87 -1.478 9.783 0.577 1.00 63.53 H new ATOM 0 HD13 LEU A 87 -1.485 10.566 -1.022 1.00 63.53 H new ATOM 0 HD21 LEU A 87 -0.306 13.239 -0.043 1.00 73.45 H new ATOM 0 HD22 LEU A 87 -1.704 13.120 -1.138 1.00 73.45 H new ATOM 0 HD23 LEU A 87 -1.841 14.031 0.385 1.00 73.45 H new ATOM 1268 N ALA A 88 -4.170 11.736 3.571 1.00 42.30 N ATOM 1269 CA ALA A 88 -3.850 11.981 4.972 1.00 33.42 C ATOM 1270 C ALA A 88 -3.895 10.688 5.780 1.00 62.21 C ATOM 1271 O ALA A 88 -3.005 10.417 6.586 1.00 73.41 O ATOM 1272 CB ALA A 88 -4.809 13.006 5.560 1.00 43.10 C ATOM 0 H ALA A 88 -4.904 12.336 3.195 1.00 42.30 H new ATOM 0 HA ALA A 88 -2.835 12.376 5.024 1.00 33.42 H new ATOM 0 HB1 ALA A 88 -4.559 13.180 6.607 1.00 43.10 H new ATOM 0 HB2 ALA A 88 -4.726 13.942 5.007 1.00 43.10 H new ATOM 0 HB3 ALA A 88 -5.830 12.632 5.488 1.00 43.10 H new ATOM 1278 N THR A 89 -4.937 9.893 5.558 1.00 41.32 N ATOM 1279 CA THR A 89 -5.098 8.630 6.267 1.00 70.25 C ATOM 1280 C THR A 89 -4.050 7.614 5.826 1.00 50.22 C ATOM 1281 O THR A 89 -3.416 6.964 6.656 1.00 22.03 O ATOM 1282 CB THR A 89 -6.501 8.033 6.040 1.00 2.40 C ATOM 1283 OG1 THR A 89 -7.500 8.933 6.533 1.00 71.32 O ATOM 1284 CG2 THR A 89 -6.635 6.687 6.736 1.00 74.12 C ATOM 0 H THR A 89 -5.682 10.102 4.893 1.00 41.32 H new ATOM 0 HA THR A 89 -4.969 8.845 7.328 1.00 70.25 H new ATOM 0 HB THR A 89 -6.641 7.885 4.969 1.00 2.40 H new ATOM 0 HG1 THR A 89 -8.389 8.548 6.384 1.00 71.32 H new ATOM 0 HG21 THR A 89 -7.633 6.285 6.562 1.00 74.12 H new ATOM 0 HG22 THR A 89 -5.891 5.996 6.339 1.00 74.12 H new ATOM 0 HG23 THR A 89 -6.477 6.814 7.807 1.00 74.12 H new ATOM 1292 N TRP A 90 -3.873 7.485 4.516 1.00 21.24 N ATOM 1293 CA TRP A 90 -2.901 6.548 3.965 1.00 24.12 C ATOM 1294 C TRP A 90 -1.534 6.738 4.614 1.00 22.13 C ATOM 1295 O TRP A 90 -0.950 5.791 5.139 1.00 32.40 O ATOM 1296 CB TRP A 90 -2.788 6.728 2.450 1.00 14.34 C ATOM 1297 CG TRP A 90 -3.872 6.030 1.688 1.00 70.43 C ATOM 1298 CD1 TRP A 90 -4.759 6.597 0.818 1.00 34.23 C ATOM 1299 CD2 TRP A 90 -4.184 4.632 1.727 1.00 52.42 C ATOM 1300 NE1 TRP A 90 -5.604 5.637 0.315 1.00 53.33 N ATOM 1301 CE2 TRP A 90 -5.271 4.423 0.856 1.00 14.21 C ATOM 1302 CE3 TRP A 90 -3.650 3.537 2.412 1.00 43.41 C ATOM 1303 CZ2 TRP A 90 -5.832 3.165 0.656 1.00 50.44 C ATOM 1304 CZ3 TRP A 90 -4.208 2.290 2.211 1.00 25.21 C ATOM 1305 CH2 TRP A 90 -5.289 2.111 1.339 1.00 50.33 C ATOM 0 H TRP A 90 -4.390 8.017 3.816 1.00 21.24 H new ATOM 0 HA TRP A 90 -3.248 5.537 4.179 1.00 24.12 H new ATOM 0 HB2 TRP A 90 -2.815 7.792 2.214 1.00 14.34 H new ATOM 0 HB3 TRP A 90 -1.820 6.353 2.118 1.00 14.34 H new ATOM 0 HD1 TRP A 90 -4.792 7.646 0.563 1.00 34.23 H new ATOM 0 HE1 TRP A 90 -6.357 5.802 -0.353 1.00 53.33 H new ATOM 0 HE3 TRP A 90 -2.816 3.664 3.086 1.00 43.41 H new ATOM 0 HZ2 TRP A 90 -6.667 3.026 -0.015 1.00 50.44 H new ATOM 0 HZ3 TRP A 90 -3.803 1.437 2.736 1.00 25.21 H new ATOM 0 HH2 TRP A 90 -5.702 1.122 1.203 1.00 50.33 H new ATOM 1316 N GLN A 91 -1.031 7.968 4.576 1.00 22.43 N ATOM 1317 CA GLN A 91 0.267 8.280 5.161 1.00 65.11 C ATOM 1318 C GLN A 91 0.397 7.673 6.554 1.00 0.51 C ATOM 1319 O GLN A 91 1.286 6.862 6.808 1.00 74.11 O ATOM 1320 CB GLN A 91 0.468 9.794 5.230 1.00 4.32 C ATOM 1321 CG GLN A 91 0.526 10.463 3.867 1.00 53.44 C ATOM 1322 CD GLN A 91 1.852 11.149 3.607 1.00 0.14 C ATOM 1323 OE1 GLN A 91 2.671 11.305 4.514 1.00 62.23 O ATOM 1324 NE2 GLN A 91 2.073 11.564 2.366 1.00 74.35 N ATOM 0 H GLN A 91 -1.503 8.764 4.146 1.00 22.43 H new ATOM 0 HA GLN A 91 1.038 7.847 4.523 1.00 65.11 H new ATOM 0 HB2 GLN A 91 -0.345 10.234 5.807 1.00 4.32 H new ATOM 0 HB3 GLN A 91 1.392 10.005 5.769 1.00 4.32 H new ATOM 0 HG2 GLN A 91 0.350 9.716 3.093 1.00 53.44 H new ATOM 0 HG3 GLN A 91 -0.278 11.195 3.792 1.00 53.44 H new ATOM 0 HE21 GLN A 91 1.367 11.414 1.645 1.00 74.35 H new ATOM 0 HE22 GLN A 91 2.949 12.033 2.133 1.00 74.35 H new ATOM 1333 N GLU A 92 -0.496 8.075 7.454 1.00 23.14 N ATOM 1334 CA GLU A 92 -0.480 7.572 8.822 1.00 21.40 C ATOM 1335 C GLU A 92 -0.031 6.113 8.860 1.00 2.43 C ATOM 1336 O GLU A 92 0.926 5.765 9.554 1.00 34.30 O ATOM 1337 CB GLU A 92 -1.866 7.705 9.455 1.00 15.33 C ATOM 1338 CG GLU A 92 -2.530 9.046 9.188 1.00 4.11 C ATOM 1339 CD GLU A 92 -3.108 9.672 10.443 1.00 32.31 C ATOM 1340 OE1 GLU A 92 -2.507 9.495 11.524 1.00 43.31 O ATOM 1341 OE2 GLU A 92 -4.161 10.337 10.345 1.00 65.41 O ATOM 0 H GLU A 92 -1.239 8.747 7.260 1.00 23.14 H new ATOM 0 HA GLU A 92 0.231 8.169 9.392 1.00 21.40 H new ATOM 0 HB2 GLU A 92 -2.507 6.909 9.076 1.00 15.33 H new ATOM 0 HB3 GLU A 92 -1.780 7.559 10.532 1.00 15.33 H new ATOM 0 HG2 GLU A 92 -1.801 9.727 8.750 1.00 4.11 H new ATOM 0 HG3 GLU A 92 -3.324 8.914 8.454 1.00 4.11 H new ATOM 1348 N VAL A 93 -0.727 5.266 8.110 1.00 34.41 N ATOM 1349 CA VAL A 93 -0.401 3.846 8.057 1.00 10.11 C ATOM 1350 C VAL A 93 1.094 3.633 7.846 1.00 64.01 C ATOM 1351 O VAL A 93 1.755 2.961 8.639 1.00 72.52 O ATOM 1352 CB VAL A 93 -1.173 3.134 6.931 1.00 14.42 C ATOM 1353 CG1 VAL A 93 -0.778 1.667 6.856 1.00 14.42 C ATOM 1354 CG2 VAL A 93 -2.674 3.280 7.139 1.00 5.34 C ATOM 0 H VAL A 93 -1.521 5.538 7.530 1.00 34.41 H new ATOM 0 HA VAL A 93 -0.695 3.418 9.016 1.00 10.11 H new ATOM 0 HB VAL A 93 -0.913 3.604 5.983 1.00 14.42 H new ATOM 0 HG11 VAL A 93 -1.334 1.181 6.054 1.00 14.42 H new ATOM 0 HG12 VAL A 93 0.291 1.588 6.656 1.00 14.42 H new ATOM 0 HG13 VAL A 93 -1.007 1.180 7.804 1.00 14.42 H new ATOM 0 HG21 VAL A 93 -3.204 2.771 6.334 1.00 5.34 H new ATOM 0 HG22 VAL A 93 -2.954 2.837 8.095 1.00 5.34 H new ATOM 0 HG23 VAL A 93 -2.940 4.337 7.137 1.00 5.34 H new ATOM 1364 N LEU A 94 1.622 4.210 6.773 1.00 60.01 N ATOM 1365 CA LEU A 94 3.041 4.085 6.456 1.00 54.21 C ATOM 1366 C LEU A 94 3.903 4.516 7.638 1.00 34.34 C ATOM 1367 O LEU A 94 4.933 3.906 7.922 1.00 44.21 O ATOM 1368 CB LEU A 94 3.386 4.927 5.226 1.00 31.40 C ATOM 1369 CG LEU A 94 4.560 4.432 4.381 1.00 31.43 C ATOM 1370 CD1 LEU A 94 4.120 4.188 2.946 1.00 10.44 C ATOM 1371 CD2 LEU A 94 5.708 5.428 4.428 1.00 61.20 C ATOM 0 H LEU A 94 1.089 4.769 6.107 1.00 60.01 H new ATOM 0 HA LEU A 94 3.248 3.037 6.241 1.00 54.21 H new ATOM 0 HB2 LEU A 94 2.503 4.982 4.589 1.00 31.40 H new ATOM 0 HB3 LEU A 94 3.604 5.943 5.556 1.00 31.40 H new ATOM 0 HG LEU A 94 4.909 3.487 4.797 1.00 31.43 H new ATOM 0 HD11 LEU A 94 4.969 3.836 2.360 1.00 10.44 H new ATOM 0 HD12 LEU A 94 3.331 3.436 2.930 1.00 10.44 H new ATOM 0 HD13 LEU A 94 3.744 5.117 2.518 1.00 10.44 H new ATOM 0 HD21 LEU A 94 6.535 5.059 3.821 1.00 61.20 H new ATOM 0 HD22 LEU A 94 5.372 6.389 4.038 1.00 61.20 H new ATOM 0 HD23 LEU A 94 6.041 5.551 5.459 1.00 61.20 H new ATOM 1383 N GLU A 95 3.471 5.568 8.327 1.00 12.11 N ATOM 1384 CA GLU A 95 4.203 6.078 9.480 1.00 12.01 C ATOM 1385 C GLU A 95 4.242 5.043 10.601 1.00 44.22 C ATOM 1386 O GLU A 95 5.179 5.008 11.396 1.00 45.50 O ATOM 1387 CB GLU A 95 3.562 7.371 9.988 1.00 30.10 C ATOM 1388 CG GLU A 95 3.500 8.471 8.941 1.00 14.43 C ATOM 1389 CD GLU A 95 4.340 9.677 9.312 1.00 4.31 C ATOM 1390 OE1 GLU A 95 5.512 9.486 9.703 1.00 50.04 O ATOM 1391 OE2 GLU A 95 3.828 10.812 9.213 1.00 45.12 O ATOM 0 H GLU A 95 2.619 6.083 8.107 1.00 12.11 H new ATOM 0 HA GLU A 95 5.225 6.287 9.165 1.00 12.01 H new ATOM 0 HB2 GLU A 95 2.552 7.154 10.335 1.00 30.10 H new ATOM 0 HB3 GLU A 95 4.124 7.732 10.849 1.00 30.10 H new ATOM 0 HG2 GLU A 95 3.841 8.076 7.984 1.00 14.43 H new ATOM 0 HG3 GLU A 95 2.464 8.782 8.807 1.00 14.43 H new ATOM 1398 N GLY A 96 3.214 4.201 10.657 1.00 24.45 N ATOM 1399 CA GLY A 96 3.151 3.177 11.683 1.00 35.24 C ATOM 1400 C GLY A 96 2.097 3.473 12.733 1.00 43.11 C ATOM 1401 O GLY A 96 1.520 2.557 13.319 1.00 63.52 O ATOM 0 H GLY A 96 2.425 4.210 10.011 1.00 24.45 H new ATOM 0 HA2 GLY A 96 2.937 2.214 11.219 1.00 35.24 H new ATOM 0 HA3 GLY A 96 4.125 3.089 12.165 1.00 35.24 H new ATOM 1405 N ARG A 97 1.847 4.755 12.972 1.00 2.45 N ATOM 1406 CA ARG A 97 0.858 5.170 13.961 1.00 45.20 C ATOM 1407 C ARG A 97 -0.493 4.517 13.685 1.00 41.44 C ATOM 1408 O ARG A 97 -1.242 4.200 14.609 1.00 2.13 O ATOM 1409 CB ARG A 97 0.711 6.692 13.959 1.00 44.42 C ATOM 1410 CG ARG A 97 2.018 7.431 14.198 1.00 60.05 C ATOM 1411 CD ARG A 97 1.980 8.228 15.492 1.00 12.24 C ATOM 1412 NE ARG A 97 2.770 9.454 15.404 1.00 70.24 N ATOM 1413 CZ ARG A 97 3.134 10.171 16.461 1.00 23.42 C ATOM 1414 NH1 ARG A 97 2.780 9.787 17.681 1.00 43.04 N ATOM 1415 NH2 ARG A 97 3.853 11.275 16.300 1.00 33.51 N ATOM 0 H ARG A 97 2.315 5.525 12.495 1.00 2.45 H new ATOM 0 HA ARG A 97 1.205 4.847 14.943 1.00 45.20 H new ATOM 0 HB2 ARG A 97 0.295 7.007 13.002 1.00 44.42 H new ATOM 0 HB3 ARG A 97 -0.005 6.980 14.728 1.00 44.42 H new ATOM 0 HG2 ARG A 97 2.840 6.716 14.234 1.00 60.05 H new ATOM 0 HG3 ARG A 97 2.216 8.102 13.362 1.00 60.05 H new ATOM 0 HD2 ARG A 97 0.947 8.479 15.733 1.00 12.24 H new ATOM 0 HD3 ARG A 97 2.357 7.612 16.308 1.00 12.24 H new ATOM 0 HE ARG A 97 3.058 9.777 14.480 1.00 70.24 H new ATOM 0 HH11 ARG A 97 2.227 8.939 17.809 1.00 43.04 H new ATOM 0 HH12 ARG A 97 3.061 10.339 18.491 1.00 43.04 H new ATOM 0 HH21 ARG A 97 4.126 11.573 15.364 1.00 33.51 H new ATOM 0 HH22 ARG A 97 4.132 11.825 17.112 1.00 33.51 H new ATOM 1429 N LEU A 98 -0.799 4.321 12.407 1.00 65.50 N ATOM 1430 CA LEU A 98 -2.060 3.706 12.007 1.00 32.44 C ATOM 1431 C LEU A 98 -1.833 2.298 11.466 1.00 61.32 C ATOM 1432 O LEU A 98 -0.696 1.891 11.227 1.00 32.03 O ATOM 1433 CB LEU A 98 -2.757 4.565 10.951 1.00 24.35 C ATOM 1434 CG LEU A 98 -3.824 5.531 11.468 1.00 64.32 C ATOM 1435 CD1 LEU A 98 -5.118 4.789 11.764 1.00 22.42 C ATOM 1436 CD2 LEU A 98 -3.327 6.258 12.710 1.00 12.11 C ATOM 0 H LEU A 98 -0.191 4.579 11.630 1.00 65.50 H new ATOM 0 HA LEU A 98 -2.697 3.637 12.889 1.00 32.44 H new ATOM 0 HB2 LEU A 98 -1.998 5.142 10.423 1.00 24.35 H new ATOM 0 HB3 LEU A 98 -3.219 3.902 10.220 1.00 24.35 H new ATOM 0 HG LEU A 98 -4.024 6.271 10.693 1.00 64.32 H new ATOM 0 HD11 LEU A 98 -5.865 5.493 12.131 1.00 22.42 H new ATOM 0 HD12 LEU A 98 -5.482 4.315 10.853 1.00 22.42 H new ATOM 0 HD13 LEU A 98 -4.935 4.027 12.521 1.00 22.42 H new ATOM 0 HD21 LEU A 98 -4.099 6.941 13.065 1.00 12.11 H new ATOM 0 HD22 LEU A 98 -3.099 5.532 13.490 1.00 12.11 H new ATOM 0 HD23 LEU A 98 -2.427 6.822 12.466 1.00 12.11 H new ATOM 1448 N GLU A 99 -2.922 1.561 11.273 1.00 61.04 N ATOM 1449 CA GLU A 99 -2.840 0.199 10.758 1.00 50.40 C ATOM 1450 C GLU A 99 -3.675 0.047 9.489 1.00 23.14 C ATOM 1451 O GLU A 99 -4.735 0.654 9.336 1.00 45.24 O ATOM 1452 CB GLU A 99 -3.314 -0.800 11.816 1.00 40.34 C ATOM 1453 CG GLU A 99 -2.189 -1.357 12.672 1.00 34.32 C ATOM 1454 CD GLU A 99 -2.697 -2.236 13.800 1.00 24.03 C ATOM 1455 OE1 GLU A 99 -3.171 -3.354 13.513 1.00 21.40 O ATOM 1456 OE2 GLU A 99 -2.616 -1.804 14.969 1.00 73.33 O ATOM 0 H GLU A 99 -3.870 1.883 11.465 1.00 61.04 H new ATOM 0 HA GLU A 99 -1.798 -0.008 10.515 1.00 50.40 H new ATOM 0 HB2 GLU A 99 -4.044 -0.313 12.462 1.00 40.34 H new ATOM 0 HB3 GLU A 99 -3.826 -1.625 11.321 1.00 40.34 H new ATOM 0 HG2 GLU A 99 -1.510 -1.934 12.044 1.00 34.32 H new ATOM 0 HG3 GLU A 99 -1.612 -0.532 13.090 1.00 34.32 H new ATOM 1463 N PRO A 100 -3.187 -0.785 8.557 1.00 64.14 N ATOM 1464 CA PRO A 100 -3.869 -1.038 7.285 1.00 13.22 C ATOM 1465 C PRO A 100 -5.154 -1.839 7.467 1.00 42.22 C ATOM 1466 O PRO A 100 -6.134 -1.631 6.751 1.00 2.43 O ATOM 1467 CB PRO A 100 -2.844 -1.844 6.486 1.00 61.54 C ATOM 1468 CG PRO A 100 -1.992 -2.501 7.516 1.00 61.01 C ATOM 1469 CD PRO A 100 -1.928 -1.542 8.672 1.00 35.22 C ATOM 0 HA PRO A 100 -4.177 -0.114 6.796 1.00 13.22 H new ATOM 0 HB2 PRO A 100 -3.331 -2.580 5.847 1.00 61.54 H new ATOM 0 HB3 PRO A 100 -2.253 -1.199 5.836 1.00 61.54 H new ATOM 0 HG2 PRO A 100 -2.418 -3.456 7.824 1.00 61.01 H new ATOM 0 HG3 PRO A 100 -0.996 -2.708 7.125 1.00 61.01 H new ATOM 0 HD2 PRO A 100 -1.860 -2.066 9.625 1.00 35.22 H new ATOM 0 HD3 PRO A 100 -1.058 -0.888 8.604 1.00 35.22 H new ATOM 1477 N LEU A 101 -5.143 -2.756 8.428 1.00 11.20 N ATOM 1478 CA LEU A 101 -6.309 -3.588 8.704 1.00 24.32 C ATOM 1479 C LEU A 101 -7.251 -2.898 9.686 1.00 70.44 C ATOM 1480 O LEU A 101 -8.453 -2.798 9.441 1.00 31.12 O ATOM 1481 CB LEU A 101 -5.871 -4.942 9.267 1.00 65.14 C ATOM 1482 CG LEU A 101 -5.631 -6.049 8.240 1.00 31.15 C ATOM 1483 CD1 LEU A 101 -6.939 -6.740 7.885 1.00 41.33 C ATOM 1484 CD2 LEU A 101 -4.967 -5.485 6.993 1.00 60.41 C ATOM 0 H LEU A 101 -4.340 -2.942 9.029 1.00 11.20 H new ATOM 0 HA LEU A 101 -6.843 -3.745 7.767 1.00 24.32 H new ATOM 0 HB2 LEU A 101 -4.953 -4.797 9.836 1.00 65.14 H new ATOM 0 HB3 LEU A 101 -6.631 -5.284 9.970 1.00 65.14 H new ATOM 0 HG LEU A 101 -4.962 -6.788 8.680 1.00 31.15 H new ATOM 0 HD11 LEU A 101 -6.749 -7.525 7.153 1.00 41.33 H new ATOM 0 HD12 LEU A 101 -7.374 -7.179 8.783 1.00 41.33 H new ATOM 0 HD13 LEU A 101 -7.633 -6.012 7.464 1.00 41.33 H new ATOM 0 HD21 LEU A 101 -4.804 -6.287 6.273 1.00 60.41 H new ATOM 0 HD22 LEU A 101 -5.611 -4.725 6.550 1.00 60.41 H new ATOM 0 HD23 LEU A 101 -4.010 -5.038 7.261 1.00 60.41 H new ATOM 1496 N SER A 102 -6.696 -2.422 10.796 1.00 53.11 N ATOM 1497 CA SER A 102 -7.487 -1.742 11.815 1.00 14.20 C ATOM 1498 C SER A 102 -8.161 -0.499 11.240 1.00 24.44 C ATOM 1499 O SER A 102 -9.299 -0.183 11.582 1.00 11.43 O ATOM 1500 CB SER A 102 -6.604 -1.356 13.002 1.00 43.31 C ATOM 1501 OG SER A 102 -7.172 -1.794 14.225 1.00 60.33 O ATOM 0 H SER A 102 -5.702 -2.495 11.013 1.00 53.11 H new ATOM 0 HA SER A 102 -8.262 -2.428 12.157 1.00 14.20 H new ATOM 0 HB2 SER A 102 -5.614 -1.794 12.880 1.00 43.31 H new ATOM 0 HB3 SER A 102 -6.473 -0.274 13.025 1.00 43.31 H new ATOM 0 HG SER A 102 -6.587 -1.536 14.968 1.00 60.33 H new ATOM 1507 N ALA A 103 -7.447 0.201 10.365 1.00 5.54 N ATOM 1508 CA ALA A 103 -7.974 1.409 9.742 1.00 62.23 C ATOM 1509 C ALA A 103 -9.226 1.103 8.927 1.00 4.51 C ATOM 1510 O ALA A 103 -10.264 1.739 9.105 1.00 12.44 O ATOM 1511 CB ALA A 103 -6.912 2.055 8.863 1.00 53.15 C ATOM 0 H ALA A 103 -6.502 -0.047 10.071 1.00 5.54 H new ATOM 0 HA ALA A 103 -8.249 2.108 10.532 1.00 62.23 H new ATOM 0 HB1 ALA A 103 -7.319 2.956 8.404 1.00 53.15 H new ATOM 0 HB2 ALA A 103 -6.046 2.317 9.471 1.00 53.15 H new ATOM 0 HB3 ALA A 103 -6.610 1.355 8.084 1.00 53.15 H new ATOM 1517 N LEU A 104 -9.118 0.129 8.031 1.00 21.42 N ATOM 1518 CA LEU A 104 -10.242 -0.261 7.187 1.00 60.33 C ATOM 1519 C LEU A 104 -11.419 -0.737 8.033 1.00 61.31 C ATOM 1520 O LEU A 104 -12.571 -0.668 7.605 1.00 70.42 O ATOM 1521 CB LEU A 104 -9.818 -1.365 6.216 1.00 13.12 C ATOM 1522 CG LEU A 104 -10.345 -2.767 6.523 1.00 62.42 C ATOM 1523 CD1 LEU A 104 -11.830 -2.859 6.214 1.00 54.31 C ATOM 1524 CD2 LEU A 104 -9.569 -3.813 5.735 1.00 10.21 C ATOM 0 H LEU A 104 -8.264 -0.405 7.870 1.00 21.42 H new ATOM 0 HA LEU A 104 -10.557 0.614 6.618 1.00 60.33 H new ATOM 0 HB2 LEU A 104 -10.146 -1.086 5.215 1.00 13.12 H new ATOM 0 HB3 LEU A 104 -8.729 -1.404 6.195 1.00 13.12 H new ATOM 0 HG LEU A 104 -10.203 -2.962 7.586 1.00 62.42 H new ATOM 0 HD11 LEU A 104 -12.187 -3.864 6.439 1.00 54.31 H new ATOM 0 HD12 LEU A 104 -12.374 -2.136 6.822 1.00 54.31 H new ATOM 0 HD13 LEU A 104 -11.996 -2.643 5.159 1.00 54.31 H new ATOM 0 HD21 LEU A 104 -9.958 -4.805 5.966 1.00 10.21 H new ATOM 0 HD22 LEU A 104 -9.678 -3.620 4.668 1.00 10.21 H new ATOM 0 HD23 LEU A 104 -8.514 -3.764 6.006 1.00 10.21 H new ATOM 1536 N MET A 105 -11.122 -1.217 9.235 1.00 12.21 N ATOM 1537 CA MET A 105 -12.156 -1.701 10.142 1.00 11.44 C ATOM 1538 C MET A 105 -12.794 -0.544 10.906 1.00 61.31 C ATOM 1539 O MET A 105 -13.924 -0.651 11.382 1.00 12.14 O ATOM 1540 CB MET A 105 -11.568 -2.715 11.126 1.00 54.41 C ATOM 1541 CG MET A 105 -11.610 -4.147 10.619 1.00 32.54 C ATOM 1542 SD MET A 105 -12.630 -5.219 11.651 1.00 63.45 S ATOM 1543 CE MET A 105 -14.206 -5.100 10.808 1.00 23.53 C ATOM 0 H MET A 105 -10.173 -1.281 9.604 1.00 12.21 H new ATOM 0 HA MET A 105 -12.927 -2.189 9.546 1.00 11.44 H new ATOM 0 HB2 MET A 105 -10.534 -2.444 11.340 1.00 54.41 H new ATOM 0 HB3 MET A 105 -12.115 -2.655 12.067 1.00 54.41 H new ATOM 0 HG2 MET A 105 -11.996 -4.156 9.600 1.00 32.54 H new ATOM 0 HG3 MET A 105 -10.596 -4.545 10.580 1.00 32.54 H new ATOM 0 HE1 MET A 105 -14.944 -5.711 11.328 1.00 23.53 H new ATOM 0 HE2 MET A 105 -14.536 -4.061 10.799 1.00 23.53 H new ATOM 0 HE3 MET A 105 -14.098 -5.456 9.783 1.00 23.53 H new ATOM 1553 N ARG A 106 -12.061 0.560 11.019 1.00 73.41 N ATOM 1554 CA ARG A 106 -12.555 1.735 11.727 1.00 73.53 C ATOM 1555 C ARG A 106 -13.406 2.605 10.806 1.00 1.35 C ATOM 1556 O ARG A 106 -14.260 3.363 11.266 1.00 61.30 O ATOM 1557 CB ARG A 106 -11.386 2.550 12.282 1.00 60.12 C ATOM 1558 CG ARG A 106 -10.754 1.942 13.524 1.00 53.11 C ATOM 1559 CD ARG A 106 -9.728 2.879 14.141 1.00 21.15 C ATOM 1560 NE ARG A 106 -10.356 3.993 14.845 1.00 15.52 N ATOM 1561 CZ ARG A 106 -9.707 5.093 15.208 1.00 45.23 C ATOM 1562 NH1 ARG A 106 -8.416 5.226 14.934 1.00 72.15 N ATOM 1563 NH2 ARG A 106 -10.349 6.064 15.845 1.00 4.34 N ATOM 0 H ARG A 106 -11.124 0.665 10.630 1.00 73.41 H new ATOM 0 HA ARG A 106 -13.177 1.396 12.555 1.00 73.53 H new ATOM 0 HB2 ARG A 106 -10.624 2.650 11.509 1.00 60.12 H new ATOM 0 HB3 ARG A 106 -11.735 3.556 12.517 1.00 60.12 H new ATOM 0 HG2 ARG A 106 -11.530 1.717 14.256 1.00 53.11 H new ATOM 0 HG3 ARG A 106 -10.276 0.997 13.265 1.00 53.11 H new ATOM 0 HD2 ARG A 106 -9.099 2.321 14.834 1.00 21.15 H new ATOM 0 HD3 ARG A 106 -9.075 3.267 13.359 1.00 21.15 H new ATOM 0 HE ARG A 106 -11.348 3.922 15.071 1.00 15.52 H new ATOM 0 HH11 ARG A 106 -7.920 4.482 14.443 1.00 72.15 H new ATOM 0 HH12 ARG A 106 -7.920 6.072 15.214 1.00 72.15 H new ATOM 0 HH21 ARG A 106 -11.342 5.966 16.056 1.00 4.34 H new ATOM 0 HH22 ARG A 106 -9.849 6.909 16.123 1.00 4.34 H new ATOM 1577 N GLY A 107 -13.165 2.492 9.504 1.00 73.53 N ATOM 1578 CA GLY A 107 -13.915 3.275 8.540 1.00 60.10 C ATOM 1579 C GLY A 107 -13.027 4.184 7.713 1.00 71.01 C ATOM 1580 O GLY A 107 -13.471 4.763 6.721 1.00 72.24 O ATOM 0 H GLY A 107 -12.463 1.872 9.099 1.00 73.53 H new ATOM 0 HA2 GLY A 107 -14.460 2.603 7.877 1.00 60.10 H new ATOM 0 HA3 GLY A 107 -14.657 3.877 9.064 1.00 60.10 H new ATOM 1584 N LEU A 108 -11.770 4.311 8.122 1.00 0.10 N ATOM 1585 CA LEU A 108 -10.817 5.158 7.413 1.00 24.10 C ATOM 1586 C LEU A 108 -10.566 4.632 6.003 1.00 2.43 C ATOM 1587 O LEU A 108 -10.572 5.394 5.035 1.00 52.03 O ATOM 1588 CB LEU A 108 -9.498 5.233 8.185 1.00 71.42 C ATOM 1589 CG LEU A 108 -9.614 5.458 9.693 1.00 33.40 C ATOM 1590 CD1 LEU A 108 -8.257 5.310 10.361 1.00 70.21 C ATOM 1591 CD2 LEU A 108 -10.207 6.830 9.983 1.00 64.15 C ATOM 0 H LEU A 108 -11.387 3.839 8.941 1.00 0.10 H new ATOM 0 HA LEU A 108 -11.243 6.158 7.337 1.00 24.10 H new ATOM 0 HB2 LEU A 108 -8.949 4.306 8.017 1.00 71.42 H new ATOM 0 HB3 LEU A 108 -8.898 6.039 7.763 1.00 71.42 H new ATOM 0 HG LEU A 108 -10.282 4.701 10.104 1.00 33.40 H new ATOM 0 HD11 LEU A 108 -8.360 5.474 11.434 1.00 70.21 H new ATOM 0 HD12 LEU A 108 -7.871 4.306 10.182 1.00 70.21 H new ATOM 0 HD13 LEU A 108 -7.566 6.044 9.947 1.00 70.21 H new ATOM 0 HD21 LEU A 108 -10.282 6.973 11.061 1.00 64.15 H new ATOM 0 HD22 LEU A 108 -9.564 7.601 9.558 1.00 64.15 H new ATOM 0 HD23 LEU A 108 -11.199 6.899 9.538 1.00 64.15 H new ATOM 1603 N LEU A 109 -10.345 3.327 5.895 1.00 54.02 N ATOM 1604 CA LEU A 109 -10.094 2.698 4.602 1.00 32.22 C ATOM 1605 C LEU A 109 -11.299 1.877 4.153 1.00 42.15 C ATOM 1606 O LEU A 109 -11.862 1.108 4.930 1.00 74.41 O ATOM 1607 CB LEU A 109 -8.854 1.805 4.680 1.00 55.40 C ATOM 1608 CG LEU A 109 -7.604 2.444 5.284 1.00 44.40 C ATOM 1609 CD1 LEU A 109 -6.510 1.404 5.472 1.00 71.24 C ATOM 1610 CD2 LEU A 109 -7.112 3.586 4.406 1.00 70.33 C ATOM 0 H LEU A 109 -10.334 2.683 6.686 1.00 54.02 H new ATOM 0 HA LEU A 109 -9.921 3.486 3.869 1.00 32.22 H new ATOM 0 HB2 LEU A 109 -9.104 0.920 5.265 1.00 55.40 H new ATOM 0 HB3 LEU A 109 -8.613 1.464 3.673 1.00 55.40 H new ATOM 0 HG LEU A 109 -7.863 2.849 6.262 1.00 44.40 H new ATOM 0 HD11 LEU A 109 -5.628 1.878 5.903 1.00 71.24 H new ATOM 0 HD12 LEU A 109 -6.864 0.620 6.141 1.00 71.24 H new ATOM 0 HD13 LEU A 109 -6.253 0.968 4.507 1.00 71.24 H new ATOM 0 HD21 LEU A 109 -6.221 4.030 4.851 1.00 70.33 H new ATOM 0 HD22 LEU A 109 -6.870 3.204 3.414 1.00 70.33 H new ATOM 0 HD23 LEU A 109 -7.892 4.343 4.323 1.00 70.33 H new ATOM 1622 N GLU A 110 -11.686 2.046 2.892 1.00 13.04 N ATOM 1623 CA GLU A 110 -12.823 1.320 2.340 1.00 71.13 C ATOM 1624 C GLU A 110 -12.387 0.424 1.185 1.00 61.53 C ATOM 1625 O GLU A 110 -11.676 0.861 0.279 1.00 70.14 O ATOM 1626 CB GLU A 110 -13.899 2.298 1.863 1.00 71.51 C ATOM 1627 CG GLU A 110 -15.308 1.732 1.927 1.00 42.32 C ATOM 1628 CD GLU A 110 -16.271 2.463 1.011 1.00 35.25 C ATOM 1629 OE1 GLU A 110 -16.210 3.708 0.959 1.00 44.52 O ATOM 1630 OE2 GLU A 110 -17.089 1.788 0.350 1.00 24.01 O ATOM 0 H GLU A 110 -11.229 2.678 2.235 1.00 13.04 H new ATOM 0 HA GLU A 110 -13.237 0.692 3.129 1.00 71.13 H new ATOM 0 HB2 GLU A 110 -13.852 3.202 2.471 1.00 71.51 H new ATOM 0 HB3 GLU A 110 -13.681 2.592 0.836 1.00 71.51 H new ATOM 0 HG2 GLU A 110 -15.284 0.677 1.656 1.00 42.32 H new ATOM 0 HG3 GLU A 110 -15.673 1.790 2.953 1.00 42.32 H new ATOM 1637 N LEU A 111 -12.817 -0.833 1.223 1.00 5.42 N ATOM 1638 CA LEU A 111 -12.470 -1.792 0.180 1.00 34.11 C ATOM 1639 C LEU A 111 -13.574 -1.879 -0.868 1.00 75.24 C ATOM 1640 O LEU A 111 -14.693 -2.303 -0.575 1.00 64.52 O ATOM 1641 CB LEU A 111 -12.223 -3.173 0.792 1.00 43.53 C ATOM 1642 CG LEU A 111 -12.110 -4.334 -0.196 1.00 45.14 C ATOM 1643 CD1 LEU A 111 -10.669 -4.811 -0.298 1.00 31.03 C ATOM 1644 CD2 LEU A 111 -13.025 -5.477 0.218 1.00 62.42 C ATOM 0 H LEU A 111 -13.406 -1.211 1.965 1.00 5.42 H new ATOM 0 HA LEU A 111 -11.558 -1.448 -0.307 1.00 34.11 H new ATOM 0 HB2 LEU A 111 -11.305 -3.130 1.378 1.00 43.53 H new ATOM 0 HB3 LEU A 111 -13.034 -3.391 1.487 1.00 43.53 H new ATOM 0 HG LEU A 111 -12.424 -3.982 -1.179 1.00 45.14 H new ATOM 0 HD11 LEU A 111 -10.609 -5.638 -1.006 1.00 31.03 H new ATOM 0 HD12 LEU A 111 -10.038 -3.992 -0.642 1.00 31.03 H new ATOM 0 HD13 LEU A 111 -10.326 -5.146 0.681 1.00 31.03 H new ATOM 0 HD21 LEU A 111 -12.932 -6.295 -0.497 1.00 62.42 H new ATOM 0 HD22 LEU A 111 -12.742 -5.828 1.210 1.00 62.42 H new ATOM 0 HD23 LEU A 111 -14.057 -5.128 0.237 1.00 62.42 H new ATOM 1656 N LYS A 112 -13.253 -1.475 -2.093 1.00 11.20 N ATOM 1657 CA LYS A 112 -14.216 -1.509 -3.188 1.00 24.23 C ATOM 1658 C LYS A 112 -14.183 -2.859 -3.898 1.00 13.04 C ATOM 1659 O LYS A 112 -15.223 -3.481 -4.120 1.00 13.24 O ATOM 1660 CB LYS A 112 -13.923 -0.388 -4.187 1.00 73.15 C ATOM 1661 CG LYS A 112 -14.509 0.954 -3.784 1.00 51.21 C ATOM 1662 CD LYS A 112 -15.223 1.622 -4.948 1.00 31.44 C ATOM 1663 CE LYS A 112 -14.235 2.209 -5.944 1.00 73.14 C ATOM 1664 NZ LYS A 112 -14.831 3.335 -6.717 1.00 20.12 N ATOM 0 H LYS A 112 -12.333 -1.120 -2.352 1.00 11.20 H new ATOM 0 HA LYS A 112 -15.211 -1.362 -2.769 1.00 24.23 H new ATOM 0 HB2 LYS A 112 -12.844 -0.285 -4.298 1.00 73.15 H new ATOM 0 HB3 LYS A 112 -14.319 -0.670 -5.163 1.00 73.15 H new ATOM 0 HG2 LYS A 112 -15.208 0.814 -2.959 1.00 51.21 H new ATOM 0 HG3 LYS A 112 -13.714 1.605 -3.421 1.00 51.21 H new ATOM 0 HD2 LYS A 112 -15.860 0.895 -5.451 1.00 31.44 H new ATOM 0 HD3 LYS A 112 -15.875 2.411 -4.572 1.00 31.44 H new ATOM 0 HE2 LYS A 112 -13.350 2.561 -5.414 1.00 73.14 H new ATOM 0 HE3 LYS A 112 -13.906 1.430 -6.632 1.00 73.14 H new ATOM 0 HZ1 LYS A 112 -14.127 3.708 -7.385 1.00 20.12 H new ATOM 0 HZ2 LYS A 112 -15.661 2.994 -7.243 1.00 20.12 H new ATOM 0 HZ3 LYS A 112 -15.122 4.089 -6.063 1.00 20.12 H new ATOM 1678 N LYS A 113 -12.984 -3.308 -4.251 1.00 45.05 N ATOM 1679 CA LYS A 113 -12.816 -4.585 -4.934 1.00 64.21 C ATOM 1680 C LYS A 113 -12.632 -5.719 -3.931 1.00 0.53 C ATOM 1681 O LYS A 113 -12.764 -5.519 -2.724 1.00 33.10 O ATOM 1682 CB LYS A 113 -11.613 -4.527 -5.879 1.00 41.11 C ATOM 1683 CG LYS A 113 -11.995 -4.389 -7.342 1.00 61.53 C ATOM 1684 CD LYS A 113 -12.335 -2.952 -7.697 1.00 44.34 C ATOM 1685 CE LYS A 113 -13.775 -2.615 -7.341 1.00 74.34 C ATOM 1686 NZ LYS A 113 -14.112 -1.203 -7.669 1.00 43.51 N ATOM 0 H LYS A 113 -12.113 -2.806 -4.075 1.00 45.05 H new ATOM 0 HA LYS A 113 -13.718 -4.779 -5.514 1.00 64.21 H new ATOM 0 HB2 LYS A 113 -10.980 -3.686 -5.597 1.00 41.11 H new ATOM 0 HB3 LYS A 113 -11.017 -5.431 -5.751 1.00 41.11 H new ATOM 0 HG2 LYS A 113 -11.172 -4.734 -7.968 1.00 61.53 H new ATOM 0 HG3 LYS A 113 -12.850 -5.030 -7.558 1.00 61.53 H new ATOM 0 HD2 LYS A 113 -11.661 -2.277 -7.170 1.00 44.34 H new ATOM 0 HD3 LYS A 113 -12.176 -2.792 -8.763 1.00 44.34 H new ATOM 0 HE2 LYS A 113 -14.448 -3.283 -7.879 1.00 74.34 H new ATOM 0 HE3 LYS A 113 -13.936 -2.789 -6.277 1.00 74.34 H new ATOM 0 HZ1 LYS A 113 -15.030 -0.958 -7.246 1.00 43.51 H new ATOM 0 HZ2 LYS A 113 -13.377 -0.573 -7.289 1.00 43.51 H new ATOM 0 HZ3 LYS A 113 -14.165 -1.090 -8.701 1.00 43.51 H new ATOM 1700 N GLY A 114 -12.325 -6.909 -4.437 1.00 42.22 N ATOM 1701 CA GLY A 114 -12.127 -8.056 -3.571 1.00 32.13 C ATOM 1702 C GLY A 114 -13.144 -8.117 -2.449 1.00 31.22 C ATOM 1703 O GLY A 114 -14.319 -7.806 -2.648 1.00 20.33 O ATOM 0 H GLY A 114 -12.210 -7.099 -5.432 1.00 42.22 H new ATOM 0 HA2 GLY A 114 -12.188 -8.969 -4.163 1.00 32.13 H new ATOM 0 HA3 GLY A 114 -11.124 -8.018 -3.146 1.00 32.13 H new ATOM 1707 N THR A 115 -12.694 -8.521 -1.264 1.00 62.23 N ATOM 1708 CA THR A 115 -13.574 -8.625 -0.108 1.00 4.34 C ATOM 1709 C THR A 115 -12.774 -8.639 1.191 1.00 34.01 C ATOM 1710 O THR A 115 -11.679 -9.198 1.250 1.00 23.42 O ATOM 1711 CB THR A 115 -14.443 -9.894 -0.174 1.00 75.34 C ATOM 1712 OG1 THR A 115 -15.246 -10.002 1.006 1.00 50.03 O ATOM 1713 CG2 THR A 115 -13.577 -11.137 -0.320 1.00 53.45 C ATOM 0 H THR A 115 -11.725 -8.781 -1.081 1.00 62.23 H new ATOM 0 HA THR A 115 -14.222 -7.749 -0.125 1.00 4.34 H new ATOM 0 HB THR A 115 -15.091 -9.817 -1.047 1.00 75.34 H new ATOM 0 HG1 THR A 115 -15.796 -10.811 0.954 1.00 50.03 H new ATOM 0 HG21 THR A 115 -14.214 -12.021 -0.364 1.00 53.45 H new ATOM 0 HG22 THR A 115 -12.990 -11.066 -1.236 1.00 53.45 H new ATOM 0 HG23 THR A 115 -12.906 -11.216 0.536 1.00 53.45 H new ATOM 1721 N ILE A 116 -13.329 -8.021 2.228 1.00 15.03 N ATOM 1722 CA ILE A 116 -12.668 -7.964 3.526 1.00 33.54 C ATOM 1723 C ILE A 116 -12.470 -9.361 4.104 1.00 64.25 C ATOM 1724 O ILE A 116 -11.502 -9.617 4.819 1.00 53.10 O ATOM 1725 CB ILE A 116 -13.470 -7.116 4.530 1.00 40.40 C ATOM 1726 CG1 ILE A 116 -12.640 -6.853 5.788 1.00 43.33 C ATOM 1727 CG2 ILE A 116 -14.776 -7.811 4.887 1.00 61.42 C ATOM 1728 CD1 ILE A 116 -13.119 -5.663 6.591 1.00 74.44 C ATOM 0 H ILE A 116 -14.235 -7.553 2.195 1.00 15.03 H new ATOM 0 HA ILE A 116 -11.696 -7.498 3.364 1.00 33.54 H new ATOM 0 HB ILE A 116 -13.705 -6.158 4.066 1.00 40.40 H new ATOM 0 HG12 ILE A 116 -12.663 -7.741 6.420 1.00 43.33 H new ATOM 0 HG13 ILE A 116 -11.601 -6.693 5.501 1.00 43.33 H new ATOM 0 HG21 ILE A 116 -15.331 -7.199 5.598 1.00 61.42 H new ATOM 0 HG22 ILE A 116 -15.372 -7.951 3.985 1.00 61.42 H new ATOM 0 HG23 ILE A 116 -14.561 -8.782 5.334 1.00 61.42 H new ATOM 0 HD11 ILE A 116 -12.484 -5.537 7.468 1.00 74.44 H new ATOM 0 HD12 ILE A 116 -13.070 -4.765 5.975 1.00 74.44 H new ATOM 0 HD13 ILE A 116 -14.148 -5.829 6.909 1.00 74.44 H new ATOM 1740 N ALA A 117 -13.392 -10.264 3.785 1.00 41.03 N ATOM 1741 CA ALA A 117 -13.317 -11.637 4.268 1.00 20.41 C ATOM 1742 C ALA A 117 -12.028 -12.310 3.808 1.00 32.15 C ATOM 1743 O ALA A 117 -11.647 -13.360 4.326 1.00 32.30 O ATOM 1744 CB ALA A 117 -14.526 -12.431 3.796 1.00 42.34 C ATOM 0 H ALA A 117 -14.200 -10.069 3.194 1.00 41.03 H new ATOM 0 HA ALA A 117 -13.316 -11.613 5.358 1.00 20.41 H new ATOM 0 HB1 ALA A 117 -14.456 -13.454 4.165 1.00 42.34 H new ATOM 0 HB2 ALA A 117 -15.436 -11.969 4.178 1.00 42.34 H new ATOM 0 HB3 ALA A 117 -14.553 -12.439 2.706 1.00 42.34 H new ATOM 1750 N ALA A 118 -11.359 -11.699 2.835 1.00 74.32 N ATOM 1751 CA ALA A 118 -10.113 -12.240 2.308 1.00 5.32 C ATOM 1752 C ALA A 118 -8.918 -11.753 3.119 1.00 25.54 C ATOM 1753 O ALA A 118 -7.837 -12.340 3.064 1.00 45.13 O ATOM 1754 CB ALA A 118 -9.949 -11.858 0.844 1.00 32.52 C ATOM 0 H ALA A 118 -11.660 -10.829 2.396 1.00 74.32 H new ATOM 0 HA ALA A 118 -10.155 -13.326 2.387 1.00 5.32 H new ATOM 0 HB1 ALA A 118 -9.014 -12.269 0.463 1.00 32.52 H new ATOM 0 HB2 ALA A 118 -10.783 -12.259 0.268 1.00 32.52 H new ATOM 0 HB3 ALA A 118 -9.933 -10.772 0.751 1.00 32.52 H new ATOM 1760 N LEU A 119 -9.118 -10.677 3.873 1.00 33.42 N ATOM 1761 CA LEU A 119 -8.056 -10.112 4.696 1.00 1.12 C ATOM 1762 C LEU A 119 -8.030 -10.763 6.075 1.00 11.02 C ATOM 1763 O LEU A 119 -7.224 -10.397 6.930 1.00 32.34 O ATOM 1764 CB LEU A 119 -8.244 -8.600 4.837 1.00 1.54 C ATOM 1765 CG LEU A 119 -8.528 -7.836 3.544 1.00 43.20 C ATOM 1766 CD1 LEU A 119 -9.084 -6.454 3.852 1.00 42.54 C ATOM 1767 CD2 LEU A 119 -7.268 -7.729 2.699 1.00 64.23 C ATOM 0 H LEU A 119 -10.006 -10.179 3.931 1.00 33.42 H new ATOM 0 HA LEU A 119 -7.104 -10.310 4.204 1.00 1.12 H new ATOM 0 HB2 LEU A 119 -9.066 -8.419 5.530 1.00 1.54 H new ATOM 0 HB3 LEU A 119 -7.345 -8.183 5.292 1.00 1.54 H new ATOM 0 HG LEU A 119 -9.276 -8.388 2.976 1.00 43.20 H new ATOM 0 HD11 LEU A 119 -9.280 -5.925 2.920 1.00 42.54 H new ATOM 0 HD12 LEU A 119 -10.012 -6.552 4.416 1.00 42.54 H new ATOM 0 HD13 LEU A 119 -8.359 -5.893 4.442 1.00 42.54 H new ATOM 0 HD21 LEU A 119 -7.490 -7.182 1.783 1.00 64.23 H new ATOM 0 HD22 LEU A 119 -6.498 -7.200 3.260 1.00 64.23 H new ATOM 0 HD23 LEU A 119 -6.912 -8.728 2.448 1.00 64.23 H new ATOM 1779 N ALA A 120 -8.917 -11.731 6.284 1.00 65.34 N ATOM 1780 CA ALA A 120 -8.993 -12.436 7.557 1.00 24.52 C ATOM 1781 C ALA A 120 -7.656 -13.082 7.908 1.00 0.01 C ATOM 1782 O ALA A 120 -7.042 -12.778 8.930 1.00 45.23 O ATOM 1783 CB ALA A 120 -10.092 -13.487 7.514 1.00 53.51 C ATOM 0 H ALA A 120 -9.593 -12.044 5.587 1.00 65.34 H new ATOM 0 HA ALA A 120 -9.231 -11.708 8.333 1.00 24.52 H new ATOM 0 HB1 ALA A 120 -10.137 -14.006 8.472 1.00 53.51 H new ATOM 0 HB2 ALA A 120 -11.049 -13.005 7.317 1.00 53.51 H new ATOM 0 HB3 ALA A 120 -9.878 -14.205 6.722 1.00 53.51 H new ATOM 1789 N PRO A 121 -7.194 -13.996 7.041 1.00 4.24 N ATOM 1790 CA PRO A 121 -5.926 -14.703 7.238 1.00 24.22 C ATOM 1791 C PRO A 121 -4.718 -13.787 7.068 1.00 31.20 C ATOM 1792 O PRO A 121 -3.743 -13.884 7.813 1.00 73.40 O ATOM 1793 CB PRO A 121 -5.943 -15.775 6.145 1.00 14.50 C ATOM 1794 CG PRO A 121 -6.830 -15.219 5.085 1.00 70.01 C ATOM 1795 CD PRO A 121 -7.874 -14.407 5.802 1.00 64.31 C ATOM 0 HA PRO A 121 -5.837 -15.105 8.247 1.00 24.22 H new ATOM 0 HB2 PRO A 121 -4.940 -15.967 5.762 1.00 14.50 H new ATOM 0 HB3 PRO A 121 -6.326 -16.722 6.525 1.00 14.50 H new ATOM 0 HG2 PRO A 121 -6.265 -14.600 4.388 1.00 70.01 H new ATOM 0 HG3 PRO A 121 -7.289 -16.017 4.502 1.00 70.01 H new ATOM 0 HD2 PRO A 121 -8.189 -13.546 5.212 1.00 64.31 H new ATOM 0 HD3 PRO A 121 -8.768 -14.995 6.010 1.00 64.31 H new ATOM 1803 N TYR A 122 -4.790 -12.898 6.083 1.00 11.03 N ATOM 1804 CA TYR A 122 -3.702 -11.967 5.815 1.00 51.44 C ATOM 1805 C TYR A 122 -3.918 -10.648 6.552 1.00 22.44 C ATOM 1806 O TYR A 122 -3.617 -9.575 6.030 1.00 74.31 O ATOM 1807 CB TYR A 122 -3.584 -11.708 4.311 1.00 70.01 C ATOM 1808 CG TYR A 122 -3.615 -12.968 3.476 1.00 24.42 C ATOM 1809 CD1 TYR A 122 -2.468 -13.732 3.294 1.00 30.35 C ATOM 1810 CD2 TYR A 122 -4.789 -13.395 2.869 1.00 63.11 C ATOM 1811 CE1 TYR A 122 -2.491 -14.885 2.532 1.00 52.53 C ATOM 1812 CE2 TYR A 122 -4.821 -14.546 2.107 1.00 55.35 C ATOM 1813 CZ TYR A 122 -3.670 -15.287 1.940 1.00 14.23 C ATOM 1814 OH TYR A 122 -3.698 -16.434 1.180 1.00 44.25 O ATOM 0 H TYR A 122 -5.590 -12.803 5.458 1.00 11.03 H new ATOM 0 HA TYR A 122 -2.777 -12.417 6.175 1.00 51.44 H new ATOM 0 HB2 TYR A 122 -4.398 -11.055 3.998 1.00 70.01 H new ATOM 0 HB3 TYR A 122 -2.654 -11.175 4.114 1.00 70.01 H new ATOM 0 HD1 TYR A 122 -1.543 -13.419 3.756 1.00 30.35 H new ATOM 0 HD2 TYR A 122 -5.692 -12.817 2.995 1.00 63.11 H new ATOM 0 HE1 TYR A 122 -1.591 -15.468 2.401 1.00 52.53 H new ATOM 0 HE2 TYR A 122 -5.743 -14.865 1.644 1.00 55.35 H new ATOM 0 HH TYR A 122 -2.781 -16.714 0.976 1.00 44.25 H new ATOM 1824 N ALA A 123 -4.441 -10.739 7.771 1.00 71.41 N ATOM 1825 CA ALA A 123 -4.696 -9.556 8.582 1.00 5.14 C ATOM 1826 C ALA A 123 -3.416 -9.061 9.249 1.00 41.02 C ATOM 1827 O ALA A 123 -3.151 -7.860 9.289 1.00 50.13 O ATOM 1828 CB ALA A 123 -5.757 -9.853 9.631 1.00 70.42 C ATOM 0 H ALA A 123 -4.696 -11.620 8.218 1.00 71.41 H new ATOM 0 HA ALA A 123 -5.061 -8.768 7.924 1.00 5.14 H new ATOM 0 HB1 ALA A 123 -5.937 -8.960 10.229 1.00 70.42 H new ATOM 0 HB2 ALA A 123 -6.682 -10.152 9.138 1.00 70.42 H new ATOM 0 HB3 ALA A 123 -5.413 -10.660 10.278 1.00 70.42 H new ATOM 1834 N GLN A 124 -2.628 -9.996 9.770 1.00 45.52 N ATOM 1835 CA GLN A 124 -1.376 -9.653 10.436 1.00 44.54 C ATOM 1836 C GLN A 124 -0.299 -9.293 9.417 1.00 25.32 C ATOM 1837 O GLN A 124 0.459 -8.342 9.610 1.00 33.30 O ATOM 1838 CB GLN A 124 -0.902 -10.817 11.307 1.00 13.12 C ATOM 1839 CG GLN A 124 -1.288 -10.677 12.771 1.00 32.10 C ATOM 1840 CD GLN A 124 -0.836 -11.857 13.609 1.00 13.21 C ATOM 1841 OE1 GLN A 124 -0.064 -11.701 14.555 1.00 31.14 O ATOM 1842 NE2 GLN A 124 -1.315 -13.046 13.265 1.00 13.01 N ATOM 0 H GLN A 124 -2.833 -10.995 9.744 1.00 45.52 H new ATOM 0 HA GLN A 124 -1.556 -8.785 11.070 1.00 44.54 H new ATOM 0 HB2 GLN A 124 -1.319 -11.745 10.917 1.00 13.12 H new ATOM 0 HB3 GLN A 124 0.182 -10.898 11.232 1.00 13.12 H new ATOM 0 HG2 GLN A 124 -0.851 -9.763 13.172 1.00 32.10 H new ATOM 0 HG3 GLN A 124 -2.370 -10.574 12.849 1.00 32.10 H new ATOM 0 HE21 GLN A 124 -1.953 -13.129 12.473 1.00 13.01 H new ATOM 0 HE22 GLN A 124 -1.045 -13.876 13.792 1.00 13.01 H new ATOM 1851 N ALA A 125 -0.236 -10.060 8.334 1.00 25.30 N ATOM 1852 CA ALA A 125 0.748 -9.822 7.285 1.00 70.02 C ATOM 1853 C ALA A 125 0.854 -8.335 6.960 1.00 64.42 C ATOM 1854 O ALA A 125 1.951 -7.804 6.792 1.00 63.31 O ATOM 1855 CB ALA A 125 0.389 -10.613 6.035 1.00 22.12 C ATOM 0 H ALA A 125 -0.855 -10.852 8.160 1.00 25.30 H new ATOM 0 HA ALA A 125 1.719 -10.159 7.648 1.00 70.02 H new ATOM 0 HB1 ALA A 125 1.132 -10.426 5.260 1.00 22.12 H new ATOM 0 HB2 ALA A 125 0.371 -11.677 6.271 1.00 22.12 H new ATOM 0 HB3 ALA A 125 -0.593 -10.303 5.678 1.00 22.12 H new ATOM 1861 N ALA A 126 -0.293 -7.670 6.873 1.00 62.21 N ATOM 1862 CA ALA A 126 -0.328 -6.245 6.568 1.00 31.14 C ATOM 1863 C ALA A 126 0.814 -5.508 7.259 1.00 71.32 C ATOM 1864 O ALA A 126 1.492 -4.684 6.646 1.00 30.33 O ATOM 1865 CB ALA A 126 -1.667 -5.650 6.980 1.00 32.42 C ATOM 0 H ALA A 126 -1.210 -8.095 7.009 1.00 62.21 H new ATOM 0 HA ALA A 126 -0.205 -6.126 5.492 1.00 31.14 H new ATOM 0 HB1 ALA A 126 -1.679 -4.585 6.747 1.00 32.42 H new ATOM 0 HB2 ALA A 126 -2.470 -6.150 6.438 1.00 32.42 H new ATOM 0 HB3 ALA A 126 -1.812 -5.788 8.051 1.00 32.42 H new ATOM 1871 N GLN A 127 1.020 -5.810 8.537 1.00 24.23 N ATOM 1872 CA GLN A 127 2.081 -5.175 9.310 1.00 24.20 C ATOM 1873 C GLN A 127 3.398 -5.187 8.541 1.00 3.31 C ATOM 1874 O GLN A 127 4.097 -4.177 8.474 1.00 1.44 O ATOM 1875 CB GLN A 127 2.256 -5.882 10.655 1.00 32.41 C ATOM 1876 CG GLN A 127 1.011 -5.845 11.528 1.00 24.51 C ATOM 1877 CD GLN A 127 1.011 -6.928 12.589 1.00 71.00 C ATOM 1878 OE1 GLN A 127 0.694 -8.085 12.311 1.00 34.34 O ATOM 1879 NE2 GLN A 127 1.366 -6.558 13.813 1.00 2.44 N ATOM 0 H GLN A 127 0.467 -6.490 9.059 1.00 24.23 H new ATOM 0 HA GLN A 127 1.794 -4.138 9.487 1.00 24.20 H new ATOM 0 HB2 GLN A 127 2.534 -6.921 10.477 1.00 32.41 H new ATOM 0 HB3 GLN A 127 3.082 -5.419 11.195 1.00 32.41 H new ATOM 0 HG2 GLN A 127 0.938 -4.870 12.009 1.00 24.51 H new ATOM 0 HG3 GLN A 127 0.127 -5.957 10.900 1.00 24.51 H new ATOM 0 HE21 GLN A 127 1.621 -5.588 13.999 1.00 2.44 H new ATOM 0 HE22 GLN A 127 1.384 -7.244 14.568 1.00 2.44 H new ATOM 1888 N GLU A 128 3.729 -6.338 7.962 1.00 4.43 N ATOM 1889 CA GLU A 128 4.963 -6.480 7.200 1.00 51.14 C ATOM 1890 C GLU A 128 4.997 -5.501 6.029 1.00 53.11 C ATOM 1891 O GLU A 128 5.993 -4.813 5.808 1.00 42.55 O ATOM 1892 CB GLU A 128 5.107 -7.914 6.684 1.00 43.12 C ATOM 1893 CG GLU A 128 5.138 -8.957 7.788 1.00 64.45 C ATOM 1894 CD GLU A 128 6.301 -8.762 8.741 1.00 32.30 C ATOM 1895 OE1 GLU A 128 7.461 -8.873 8.294 1.00 65.05 O ATOM 1896 OE2 GLU A 128 6.049 -8.499 9.936 1.00 43.22 O ATOM 0 H GLU A 128 3.160 -7.184 8.007 1.00 4.43 H new ATOM 0 HA GLU A 128 5.797 -6.254 7.864 1.00 51.14 H new ATOM 0 HB2 GLU A 128 4.278 -8.134 6.011 1.00 43.12 H new ATOM 0 HB3 GLU A 128 6.023 -7.990 6.098 1.00 43.12 H new ATOM 0 HG2 GLU A 128 4.204 -8.916 8.348 1.00 64.45 H new ATOM 0 HG3 GLU A 128 5.200 -9.950 7.343 1.00 64.45 H new ATOM 1903 N LEU A 129 3.900 -5.446 5.282 1.00 54.33 N ATOM 1904 CA LEU A 129 3.801 -4.552 4.133 1.00 63.31 C ATOM 1905 C LEU A 129 4.213 -3.133 4.510 1.00 10.33 C ATOM 1906 O LEU A 129 5.161 -2.580 3.952 1.00 20.41 O ATOM 1907 CB LEU A 129 2.373 -4.552 3.583 1.00 1.33 C ATOM 1908 CG LEU A 129 2.030 -5.676 2.606 1.00 64.34 C ATOM 1909 CD1 LEU A 129 0.725 -6.349 3.002 1.00 42.03 C ATOM 1910 CD2 LEU A 129 1.947 -5.140 1.184 1.00 32.41 C ATOM 0 H LEU A 129 3.067 -6.009 5.451 1.00 54.33 H new ATOM 0 HA LEU A 129 4.481 -4.915 3.362 1.00 63.31 H new ATOM 0 HB2 LEU A 129 1.681 -4.605 4.424 1.00 1.33 H new ATOM 0 HB3 LEU A 129 2.197 -3.599 3.085 1.00 1.33 H new ATOM 0 HG LEU A 129 2.825 -6.421 2.646 1.00 64.34 H new ATOM 0 HD11 LEU A 129 0.498 -7.146 2.295 1.00 42.03 H new ATOM 0 HD12 LEU A 129 0.821 -6.769 4.003 1.00 42.03 H new ATOM 0 HD13 LEU A 129 -0.081 -5.615 2.992 1.00 42.03 H new ATOM 0 HD21 LEU A 129 1.702 -5.954 0.502 1.00 32.41 H new ATOM 0 HD22 LEU A 129 1.173 -4.375 1.128 1.00 32.41 H new ATOM 0 HD23 LEU A 129 2.907 -4.707 0.902 1.00 32.41 H new ATOM 1922 N VAL A 130 3.495 -2.547 5.463 1.00 74.21 N ATOM 1923 CA VAL A 130 3.787 -1.193 5.918 1.00 43.23 C ATOM 1924 C VAL A 130 5.213 -1.087 6.447 1.00 60.24 C ATOM 1925 O VAL A 130 5.894 -0.084 6.233 1.00 41.41 O ATOM 1926 CB VAL A 130 2.808 -0.747 7.021 1.00 50.14 C ATOM 1927 CG1 VAL A 130 2.882 -1.687 8.214 1.00 75.41 C ATOM 1928 CG2 VAL A 130 3.097 0.686 7.442 1.00 33.40 C ATOM 0 H VAL A 130 2.706 -2.989 5.935 1.00 74.21 H new ATOM 0 HA VAL A 130 3.672 -0.538 5.055 1.00 43.23 H new ATOM 0 HB VAL A 130 1.795 -0.787 6.621 1.00 50.14 H new ATOM 0 HG11 VAL A 130 2.183 -1.355 8.982 1.00 75.41 H new ATOM 0 HG12 VAL A 130 2.621 -2.697 7.898 1.00 75.41 H new ATOM 0 HG13 VAL A 130 3.894 -1.683 8.618 1.00 75.41 H new ATOM 0 HG21 VAL A 130 2.396 0.985 8.222 1.00 33.40 H new ATOM 0 HG22 VAL A 130 4.116 0.755 7.824 1.00 33.40 H new ATOM 0 HG23 VAL A 130 2.987 1.347 6.582 1.00 33.40 H new ATOM 1938 N LYS A 131 5.660 -2.129 7.139 1.00 32.04 N ATOM 1939 CA LYS A 131 7.006 -2.156 7.698 1.00 12.42 C ATOM 1940 C LYS A 131 8.045 -1.820 6.633 1.00 4.54 C ATOM 1941 O LYS A 131 8.743 -0.811 6.729 1.00 13.44 O ATOM 1942 CB LYS A 131 7.302 -3.531 8.300 1.00 65.22 C ATOM 1943 CG LYS A 131 8.026 -3.468 9.634 1.00 74.40 C ATOM 1944 CD LYS A 131 8.982 -4.637 9.805 1.00 25.20 C ATOM 1945 CE LYS A 131 9.932 -4.414 10.973 1.00 14.41 C ATOM 1946 NZ LYS A 131 11.357 -4.506 10.554 1.00 22.44 N ATOM 0 H LYS A 131 5.109 -2.967 7.326 1.00 32.04 H new ATOM 0 HA LYS A 131 7.062 -1.403 8.484 1.00 12.42 H new ATOM 0 HB2 LYS A 131 6.364 -4.071 8.430 1.00 65.22 H new ATOM 0 HB3 LYS A 131 7.905 -4.105 7.596 1.00 65.22 H new ATOM 0 HG2 LYS A 131 8.579 -2.531 9.705 1.00 74.40 H new ATOM 0 HG3 LYS A 131 7.298 -3.471 10.445 1.00 74.40 H new ATOM 0 HD2 LYS A 131 8.413 -5.553 9.967 1.00 25.20 H new ATOM 0 HD3 LYS A 131 9.556 -4.776 8.889 1.00 25.20 H new ATOM 0 HE2 LYS A 131 9.745 -3.434 11.411 1.00 14.41 H new ATOM 0 HE3 LYS A 131 9.733 -5.153 11.749 1.00 14.41 H new ATOM 0 HZ1 LYS A 131 11.972 -4.348 11.378 1.00 22.44 H new ATOM 0 HZ2 LYS A 131 11.542 -5.450 10.159 1.00 22.44 H new ATOM 0 HZ3 LYS A 131 11.554 -3.784 9.832 1.00 22.44 H new ATOM 1960 N VAL A 132 8.141 -2.671 5.617 1.00 23.21 N ATOM 1961 CA VAL A 132 9.093 -2.463 4.532 1.00 32.21 C ATOM 1962 C VAL A 132 8.825 -1.146 3.812 1.00 5.33 C ATOM 1963 O VAL A 132 9.750 -0.389 3.517 1.00 22.52 O ATOM 1964 CB VAL A 132 9.039 -3.614 3.510 1.00 11.21 C ATOM 1965 CG1 VAL A 132 9.947 -3.319 2.326 1.00 21.20 C ATOM 1966 CG2 VAL A 132 9.421 -4.930 4.170 1.00 2.12 C ATOM 0 H VAL A 132 7.571 -3.512 5.522 1.00 23.21 H new ATOM 0 HA VAL A 132 10.085 -2.433 4.982 1.00 32.21 H new ATOM 0 HB VAL A 132 8.017 -3.702 3.141 1.00 11.21 H new ATOM 0 HG11 VAL A 132 9.896 -4.143 1.614 1.00 21.20 H new ATOM 0 HG12 VAL A 132 9.623 -2.399 1.840 1.00 21.20 H new ATOM 0 HG13 VAL A 132 10.973 -3.203 2.674 1.00 21.20 H new ATOM 0 HG21 VAL A 132 9.378 -5.732 3.434 1.00 2.12 H new ATOM 0 HG22 VAL A 132 10.433 -4.857 4.568 1.00 2.12 H new ATOM 0 HG23 VAL A 132 8.726 -5.145 4.982 1.00 2.12 H new ATOM 1976 N ALA A 133 7.553 -0.878 3.533 1.00 44.21 N ATOM 1977 CA ALA A 133 7.164 0.349 2.849 1.00 10.24 C ATOM 1978 C ALA A 133 7.957 1.543 3.370 1.00 41.33 C ATOM 1979 O ALA A 133 8.425 2.376 2.594 1.00 72.42 O ATOM 1980 CB ALA A 133 5.672 0.593 3.014 1.00 75.34 C ATOM 0 H ALA A 133 6.775 -1.494 3.770 1.00 44.21 H new ATOM 0 HA ALA A 133 7.388 0.232 1.789 1.00 10.24 H new ATOM 0 HB1 ALA A 133 5.394 1.512 2.499 1.00 75.34 H new ATOM 0 HB2 ALA A 133 5.117 -0.243 2.588 1.00 75.34 H new ATOM 0 HB3 ALA A 133 5.433 0.685 4.074 1.00 75.34 H new ATOM 1986 N ARG A 134 8.104 1.620 4.689 1.00 52.52 N ATOM 1987 CA ARG A 134 8.840 2.714 5.313 1.00 73.42 C ATOM 1988 C ARG A 134 10.316 2.662 4.934 1.00 61.23 C ATOM 1989 O ARG A 134 10.968 3.696 4.797 1.00 0.43 O ATOM 1990 CB ARG A 134 8.690 2.654 6.834 1.00 44.43 C ATOM 1991 CG ARG A 134 7.265 2.875 7.316 1.00 41.34 C ATOM 1992 CD ARG A 134 7.138 2.628 8.810 1.00 73.11 C ATOM 1993 NE ARG A 134 7.279 3.859 9.583 1.00 30.33 N ATOM 1994 CZ ARG A 134 8.451 4.362 9.954 1.00 11.44 C ATOM 1995 NH1 ARG A 134 9.576 3.744 9.626 1.00 52.20 N ATOM 1996 NH2 ARG A 134 8.498 5.487 10.657 1.00 0.13 N ATOM 0 H ARG A 134 7.724 0.939 5.346 1.00 52.52 H new ATOM 0 HA ARG A 134 8.423 3.653 4.950 1.00 73.42 H new ATOM 0 HB2 ARG A 134 9.037 1.683 7.187 1.00 44.43 H new ATOM 0 HB3 ARG A 134 9.337 3.406 7.284 1.00 44.43 H new ATOM 0 HG2 ARG A 134 6.956 3.895 7.087 1.00 41.34 H new ATOM 0 HG3 ARG A 134 6.590 2.210 6.777 1.00 41.34 H new ATOM 0 HD2 ARG A 134 6.169 2.176 9.021 1.00 73.11 H new ATOM 0 HD3 ARG A 134 7.898 1.913 9.125 1.00 73.11 H new ATOM 0 HE ARG A 134 6.432 4.359 9.852 1.00 30.33 H new ATOM 0 HH11 ARG A 134 9.544 2.879 9.087 1.00 52.20 H new ATOM 0 HH12 ARG A 134 10.474 4.133 9.913 1.00 52.20 H new ATOM 0 HH21 ARG A 134 7.634 5.965 10.912 1.00 0.13 H new ATOM 0 HH22 ARG A 134 9.398 5.873 10.942 1.00 0.13 H new ATOM 2010 N GLU A 135 10.837 1.450 4.766 1.00 64.31 N ATOM 2011 CA GLU A 135 12.237 1.265 4.404 1.00 61.43 C ATOM 2012 C GLU A 135 12.573 2.021 3.122 1.00 11.23 C ATOM 2013 O GLU A 135 13.693 2.501 2.946 1.00 0.25 O ATOM 2014 CB GLU A 135 12.548 -0.223 4.227 1.00 64.23 C ATOM 2015 CG GLU A 135 12.288 -1.052 5.474 1.00 62.23 C ATOM 2016 CD GLU A 135 13.476 -1.077 6.416 1.00 22.43 C ATOM 2017 OE1 GLU A 135 13.840 -0.005 6.941 1.00 63.21 O ATOM 2018 OE2 GLU A 135 14.041 -2.171 6.628 1.00 53.52 O ATOM 0 H GLU A 135 10.311 0.583 4.875 1.00 64.31 H new ATOM 0 HA GLU A 135 12.850 1.664 5.212 1.00 61.43 H new ATOM 0 HB2 GLU A 135 11.946 -0.616 3.408 1.00 64.23 H new ATOM 0 HB3 GLU A 135 13.593 -0.335 3.938 1.00 64.23 H new ATOM 0 HG2 GLU A 135 11.421 -0.650 5.999 1.00 62.23 H new ATOM 0 HG3 GLU A 135 12.039 -2.072 5.182 1.00 62.23 H new ATOM 2025 N VAL A 136 11.594 2.124 2.229 1.00 65.43 N ATOM 2026 CA VAL A 136 11.785 2.821 0.963 1.00 54.15 C ATOM 2027 C VAL A 136 11.750 4.333 1.158 1.00 33.24 C ATOM 2028 O VAL A 136 12.707 5.033 0.831 1.00 2.32 O ATOM 2029 CB VAL A 136 10.709 2.423 -0.066 1.00 32.15 C ATOM 2030 CG1 VAL A 136 10.887 3.208 -1.356 1.00 13.34 C ATOM 2031 CG2 VAL A 136 10.755 0.926 -0.332 1.00 4.14 C ATOM 0 H VAL A 136 10.661 1.734 2.359 1.00 65.43 H new ATOM 0 HA VAL A 136 12.764 2.528 0.585 1.00 54.15 H new ATOM 0 HB VAL A 136 9.729 2.666 0.346 1.00 32.15 H new ATOM 0 HG11 VAL A 136 10.118 2.913 -2.070 1.00 13.34 H new ATOM 0 HG12 VAL A 136 10.799 4.274 -1.148 1.00 13.34 H new ATOM 0 HG13 VAL A 136 11.871 3.000 -1.776 1.00 13.34 H new ATOM 0 HG21 VAL A 136 9.989 0.662 -1.061 1.00 4.14 H new ATOM 0 HG22 VAL A 136 11.736 0.656 -0.723 1.00 4.14 H new ATOM 0 HG23 VAL A 136 10.573 0.386 0.597 1.00 4.14 H new