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= -2.6! C(o=-2.6!,f=-3.5!) USER MOD Single : A 19 TYR OH : rot -4:sc= 0.91 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 0:sc= -0.86 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 96:sc= -0.229! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0334) USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 0.125 (180deg=0.109) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) 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= -0.276 K(o=-0.28,f=-2.2!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc=-0.00534 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.381 K(o=-0.38,f=-3.1!) USER MOD Single : A 127 GLN : amide:sc= -0.246 K(o=-0.25,f=-1.1) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 11 3.370 7.635 -3.276 1.00 0.53 N ATOM 118 CA PHE A 11 2.697 7.041 -4.425 1.00 5.42 C ATOM 119 C PHE A 11 3.340 7.501 -5.730 1.00 73.24 C ATOM 120 O PHE A 11 2.748 8.266 -6.491 1.00 42.54 O ATOM 121 CB PHE A 11 1.212 7.407 -4.418 1.00 71.22 C ATOM 122 CG PHE A 11 0.512 7.053 -3.137 1.00 22.40 C ATOM 123 CD1 PHE A 11 -0.046 5.796 -2.961 1.00 14.20 C ATOM 124 CD2 PHE A 11 0.414 7.975 -2.107 1.00 43.05 C ATOM 125 CE1 PHE A 11 -0.691 5.468 -1.783 1.00 11.40 C ATOM 126 CE2 PHE A 11 -0.229 7.652 -0.927 1.00 20.31 C ATOM 127 CZ PHE A 11 -0.781 6.397 -0.765 1.00 20.22 C ATOM 0 HA PHE A 11 2.797 5.958 -4.353 1.00 5.42 H new ATOM 0 HB2 PHE A 11 1.109 8.478 -4.595 1.00 71.22 H new ATOM 0 HB3 PHE A 11 0.717 6.899 -5.245 1.00 71.22 H new ATOM 0 HD1 PHE A 11 0.024 5.065 -3.753 1.00 14.20 H new ATOM 0 HD2 PHE A 11 0.845 8.958 -2.228 1.00 43.05 H new ATOM 0 HE1 PHE A 11 -1.124 4.486 -1.659 1.00 11.40 H new ATOM 0 HE2 PHE A 11 -0.300 8.380 -0.133 1.00 20.31 H new ATOM 0 HZ PHE A 11 -1.283 6.142 0.157 1.00 20.22 H new ATOM 137 N THR A 12 4.557 7.029 -5.982 1.00 11.22 N ATOM 138 CA THR A 12 5.282 7.393 -7.193 1.00 32.40 C ATOM 139 C THR A 12 5.787 6.154 -7.924 1.00 50.14 C ATOM 140 O THR A 12 6.300 5.223 -7.305 1.00 13.11 O ATOM 141 CB THR A 12 6.477 8.311 -6.878 1.00 25.01 C ATOM 142 OG1 THR A 12 7.169 7.836 -5.718 1.00 34.44 O ATOM 143 CG2 THR A 12 6.014 9.742 -6.648 1.00 73.31 C ATOM 0 H THR A 12 5.061 6.394 -5.363 1.00 11.22 H new ATOM 0 HA THR A 12 4.580 7.929 -7.832 1.00 32.40 H new ATOM 0 HB THR A 12 7.152 8.297 -7.734 1.00 25.01 H new ATOM 0 HG1 THR A 12 7.928 8.425 -5.526 1.00 34.44 H new ATOM 0 HG21 THR A 12 6.876 10.372 -6.427 1.00 73.31 H new ATOM 0 HG22 THR A 12 5.515 10.111 -7.544 1.00 73.31 H new ATOM 0 HG23 THR A 12 5.320 9.769 -5.808 1.00 73.31 H new ATOM 151 N GLU A 13 5.638 6.149 -9.246 1.00 14.52 N ATOM 152 CA GLU A 13 6.080 5.024 -10.060 1.00 13.05 C ATOM 153 C GLU A 13 7.397 4.457 -9.537 1.00 52.31 C ATOM 154 O GLU A 13 7.683 3.272 -9.700 1.00 52.00 O ATOM 155 CB GLU A 13 6.241 5.454 -11.519 1.00 72.35 C ATOM 156 CG GLU A 13 5.954 4.344 -12.516 1.00 23.11 C ATOM 157 CD GLU A 13 4.839 4.699 -13.481 1.00 0.41 C ATOM 158 OE1 GLU A 13 3.689 4.864 -13.025 1.00 2.24 O ATOM 159 OE2 GLU A 13 5.118 4.812 -14.693 1.00 22.41 O ATOM 0 H GLU A 13 5.215 6.912 -9.775 1.00 14.52 H new ATOM 0 HA GLU A 13 5.320 4.245 -10.000 1.00 13.05 H new ATOM 0 HB2 GLU A 13 5.572 6.291 -11.718 1.00 72.35 H new ATOM 0 HB3 GLU A 13 7.258 5.815 -11.673 1.00 72.35 H new ATOM 0 HG2 GLU A 13 6.861 4.124 -13.080 1.00 23.11 H new ATOM 0 HG3 GLU A 13 5.686 3.436 -11.976 1.00 23.11 H new ATOM 166 N ALA A 14 8.193 5.314 -8.908 1.00 5.44 N ATOM 167 CA ALA A 14 9.479 4.900 -8.359 1.00 22.40 C ATOM 168 C ALA A 14 9.295 4.107 -7.068 1.00 45.33 C ATOM 169 O ALA A 14 9.820 3.003 -6.928 1.00 25.21 O ATOM 170 CB ALA A 14 10.364 6.113 -8.114 1.00 1.12 C ATOM 0 H ALA A 14 7.971 6.299 -8.766 1.00 5.44 H new ATOM 0 HA ALA A 14 9.965 4.251 -9.087 1.00 22.40 H new ATOM 0 HB1 ALA A 14 11.321 5.789 -7.704 1.00 1.12 H new ATOM 0 HB2 ALA A 14 10.531 6.637 -9.055 1.00 1.12 H new ATOM 0 HB3 ALA A 14 9.875 6.783 -7.407 1.00 1.12 H new ATOM 176 N TRP A 15 8.550 4.679 -6.130 1.00 74.44 N ATOM 177 CA TRP A 15 8.298 4.025 -4.851 1.00 52.33 C ATOM 178 C TRP A 15 7.481 2.753 -5.041 1.00 62.44 C ATOM 179 O TRP A 15 7.712 1.749 -4.367 1.00 70.23 O ATOM 180 CB TRP A 15 7.567 4.978 -3.903 1.00 42.23 C ATOM 181 CG TRP A 15 7.358 4.409 -2.533 1.00 74.51 C ATOM 182 CD1 TRP A 15 8.200 4.518 -1.463 1.00 2.23 C ATOM 183 CD2 TRP A 15 6.236 3.639 -2.086 1.00 23.51 C ATOM 184 NE1 TRP A 15 7.669 3.863 -0.378 1.00 3.41 N ATOM 185 CE2 TRP A 15 6.465 3.316 -0.734 1.00 24.42 C ATOM 186 CE3 TRP A 15 5.061 3.192 -2.695 1.00 4.52 C ATOM 187 CZ2 TRP A 15 5.562 2.567 0.016 1.00 11.30 C ATOM 188 CZ3 TRP A 15 4.165 2.449 -1.950 1.00 71.41 C ATOM 189 CH2 TRP A 15 4.419 2.144 -0.607 1.00 21.32 C ATOM 0 H TRP A 15 8.110 5.594 -6.230 1.00 74.44 H new ATOM 0 HA TRP A 15 9.259 3.755 -4.414 1.00 52.33 H new ATOM 0 HB2 TRP A 15 8.136 5.904 -3.821 1.00 42.23 H new ATOM 0 HB3 TRP A 15 6.599 5.235 -4.333 1.00 42.23 H new ATOM 0 HD1 TRP A 15 9.144 5.042 -1.469 1.00 2.23 H new ATOM 0 HE1 TRP A 15 8.102 3.795 0.543 1.00 3.41 H new ATOM 0 HE3 TRP A 15 4.856 3.423 -3.730 1.00 4.52 H new ATOM 0 HZ2 TRP A 15 5.756 2.329 1.051 1.00 11.30 H new ATOM 0 HZ3 TRP A 15 3.254 2.098 -2.411 1.00 71.41 H new ATOM 0 HH2 TRP A 15 3.698 1.563 -0.051 1.00 21.32 H new ATOM 200 N ALA A 16 6.525 2.800 -5.964 1.00 32.23 N ATOM 201 CA ALA A 16 5.676 1.649 -6.244 1.00 31.25 C ATOM 202 C ALA A 16 6.508 0.438 -6.651 1.00 64.33 C ATOM 203 O ALA A 16 6.206 -0.692 -6.267 1.00 52.42 O ATOM 204 CB ALA A 16 4.668 1.989 -7.332 1.00 72.32 C ATOM 0 H ALA A 16 6.320 3.623 -6.530 1.00 32.23 H new ATOM 0 HA ALA A 16 5.137 1.396 -5.331 1.00 31.25 H new ATOM 0 HB1 ALA A 16 4.041 1.120 -7.531 1.00 72.32 H new ATOM 0 HB2 ALA A 16 4.044 2.820 -7.003 1.00 72.32 H new ATOM 0 HB3 ALA A 16 5.197 2.271 -8.243 1.00 72.32 H new ATOM 210 N GLN A 17 7.556 0.681 -7.431 1.00 45.44 N ATOM 211 CA GLN A 17 8.431 -0.390 -7.891 1.00 62.41 C ATOM 212 C GLN A 17 9.450 -0.760 -6.819 1.00 51.10 C ATOM 213 O GLN A 17 9.556 -1.921 -6.424 1.00 2.44 O ATOM 214 CB GLN A 17 9.153 0.027 -9.174 1.00 71.22 C ATOM 215 CG GLN A 17 8.231 0.152 -10.377 1.00 63.22 C ATOM 216 CD GLN A 17 8.148 -1.129 -11.184 1.00 31.42 C ATOM 217 OE1 GLN A 17 8.899 -2.076 -10.946 1.00 50.25 O ATOM 218 NE2 GLN A 17 7.232 -1.166 -12.144 1.00 24.22 N ATOM 0 H GLN A 17 7.820 1.611 -7.758 1.00 45.44 H new ATOM 0 HA GLN A 17 7.814 -1.264 -8.097 1.00 62.41 H new ATOM 0 HB2 GLN A 17 9.651 0.982 -9.007 1.00 71.22 H new ATOM 0 HB3 GLN A 17 9.931 -0.703 -9.397 1.00 71.22 H new ATOM 0 HG2 GLN A 17 7.233 0.429 -10.038 1.00 63.22 H new ATOM 0 HG3 GLN A 17 8.585 0.959 -11.019 1.00 63.22 H new ATOM 0 HE21 GLN A 17 6.631 -0.358 -12.307 1.00 24.22 H new ATOM 0 HE22 GLN A 17 7.129 -2.002 -12.719 1.00 24.22 H new ATOM 227 N ALA A 18 10.198 0.235 -6.352 1.00 13.33 N ATOM 228 CA ALA A 18 11.207 0.015 -5.324 1.00 34.32 C ATOM 229 C ALA A 18 10.611 -0.698 -4.114 1.00 63.01 C ATOM 230 O ALA A 18 11.254 -1.556 -3.509 1.00 22.03 O ATOM 231 CB ALA A 18 11.831 1.337 -4.904 1.00 64.20 C ATOM 0 H ALA A 18 10.124 1.201 -6.670 1.00 13.33 H new ATOM 0 HA ALA A 18 11.984 -0.623 -5.744 1.00 34.32 H new ATOM 0 HB1 ALA A 18 12.583 1.157 -4.136 1.00 64.20 H new ATOM 0 HB2 ALA A 18 12.300 1.808 -5.767 1.00 64.20 H new ATOM 0 HB3 ALA A 18 11.058 1.995 -4.508 1.00 64.20 H new ATOM 237 N TYR A 19 9.381 -0.338 -3.767 1.00 45.51 N ATOM 238 CA TYR A 19 8.700 -0.941 -2.628 1.00 14.53 C ATOM 239 C TYR A 19 8.361 -2.402 -2.906 1.00 24.45 C ATOM 240 O TYR A 19 8.285 -3.220 -1.989 1.00 24.43 O ATOM 241 CB TYR A 19 7.424 -0.163 -2.299 1.00 72.44 C ATOM 242 CG TYR A 19 6.538 -0.853 -1.287 1.00 23.44 C ATOM 243 CD1 TYR A 19 7.078 -1.452 -0.155 1.00 5.12 C ATOM 244 CD2 TYR A 19 5.160 -0.906 -1.460 1.00 60.41 C ATOM 245 CE1 TYR A 19 6.273 -2.084 0.773 1.00 72.45 C ATOM 246 CE2 TYR A 19 4.348 -1.535 -0.537 1.00 55.44 C ATOM 247 CZ TYR A 19 4.909 -2.122 0.577 1.00 33.40 C ATOM 248 OH TYR A 19 4.103 -2.750 1.499 1.00 34.31 O ATOM 0 H TYR A 19 8.835 0.369 -4.259 1.00 45.51 H new ATOM 0 HA TYR A 19 9.373 -0.900 -1.772 1.00 14.53 H new ATOM 0 HB2 TYR A 19 7.697 0.822 -1.919 1.00 72.44 H new ATOM 0 HB3 TYR A 19 6.858 -0.005 -3.217 1.00 72.44 H new ATOM 0 HD1 TYR A 19 8.146 -1.423 0.002 1.00 5.12 H new ATOM 0 HD2 TYR A 19 4.717 -0.447 -2.331 1.00 60.41 H new ATOM 0 HE1 TYR A 19 6.710 -2.545 1.646 1.00 72.45 H new ATOM 0 HE2 TYR A 19 3.279 -1.567 -0.687 1.00 55.44 H new ATOM 0 HH TYR A 19 4.659 -3.167 2.190 1.00 34.31 H new ATOM 258 N CYS A 20 8.160 -2.723 -4.179 1.00 14.21 N ATOM 259 CA CYS A 20 7.829 -4.085 -4.582 1.00 32.23 C ATOM 260 C CYS A 20 9.045 -4.999 -4.458 1.00 1.12 C ATOM 261 O CYS A 20 8.925 -6.156 -4.054 1.00 62.22 O ATOM 262 CB CYS A 20 7.310 -4.102 -6.021 1.00 51.42 C ATOM 263 SG CYS A 20 6.805 -5.751 -6.610 1.00 44.42 S ATOM 0 H CYS A 20 8.220 -2.058 -4.950 1.00 14.21 H new ATOM 0 HA CYS A 20 7.048 -4.454 -3.917 1.00 32.23 H new ATOM 0 HB2 CYS A 20 6.460 -3.425 -6.097 1.00 51.42 H new ATOM 0 HB3 CYS A 20 8.086 -3.714 -6.681 1.00 51.42 H new ATOM 268 N ARG A 21 10.213 -4.471 -4.807 1.00 3.15 N ATOM 269 CA ARG A 21 11.450 -5.238 -4.735 1.00 62.43 C ATOM 270 C ARG A 21 11.952 -5.329 -3.297 1.00 33.24 C ATOM 271 O ARG A 21 12.451 -6.369 -2.867 1.00 31.45 O ATOM 272 CB ARG A 21 12.523 -4.601 -5.621 1.00 32.30 C ATOM 273 CG ARG A 21 12.845 -5.411 -6.866 1.00 25.03 C ATOM 274 CD ARG A 21 13.175 -4.511 -8.047 1.00 33.45 C ATOM 275 NE ARG A 21 14.153 -5.121 -8.942 1.00 44.54 N ATOM 276 CZ ARG A 21 15.463 -5.109 -8.717 1.00 63.34 C ATOM 277 NH1 ARG A 21 15.947 -4.524 -7.630 1.00 72.33 N ATOM 278 NH2 ARG A 21 16.291 -5.685 -9.580 1.00 35.54 N ATOM 0 H ARG A 21 10.329 -3.515 -5.143 1.00 3.15 H new ATOM 0 HA ARG A 21 11.243 -6.246 -5.094 1.00 62.43 H new ATOM 0 HB2 ARG A 21 12.192 -3.607 -5.920 1.00 32.30 H new ATOM 0 HB3 ARG A 21 13.434 -4.471 -5.037 1.00 32.30 H new ATOM 0 HG2 ARG A 21 13.688 -6.071 -6.664 1.00 25.03 H new ATOM 0 HG3 ARG A 21 11.996 -6.046 -7.118 1.00 25.03 H new ATOM 0 HD2 ARG A 21 12.263 -4.292 -8.602 1.00 33.45 H new ATOM 0 HD3 ARG A 21 13.562 -3.560 -7.681 1.00 33.45 H new ATOM 0 HE ARG A 21 13.813 -5.582 -9.786 1.00 44.54 H new ATOM 0 HH11 ARG A 21 15.314 -4.082 -6.964 1.00 72.33 H new ATOM 0 HH12 ARG A 21 16.953 -4.516 -7.460 1.00 72.33 H new ATOM 0 HH21 ARG A 21 15.922 -6.137 -10.417 1.00 35.54 H new ATOM 0 HH22 ARG A 21 17.296 -5.675 -9.407 1.00 35.54 H new ATOM 292 N LYS A 22 11.813 -4.233 -2.557 1.00 65.45 N ATOM 293 CA LYS A 22 12.251 -4.189 -1.168 1.00 3.52 C ATOM 294 C LYS A 22 11.570 -5.278 -0.347 1.00 54.11 C ATOM 295 O LYS A 22 12.118 -5.757 0.647 1.00 53.23 O ATOM 296 CB LYS A 22 11.951 -2.815 -0.561 1.00 71.34 C ATOM 297 CG LYS A 22 12.864 -2.449 0.595 1.00 23.15 C ATOM 298 CD LYS A 22 14.182 -1.875 0.105 1.00 3.51 C ATOM 299 CE LYS A 22 15.071 -1.449 1.264 1.00 24.23 C ATOM 300 NZ LYS A 22 16.454 -1.126 0.814 1.00 13.15 N ATOM 0 H LYS A 22 11.400 -3.364 -2.897 1.00 65.45 H new ATOM 0 HA LYS A 22 13.327 -4.363 -1.147 1.00 3.52 H new ATOM 0 HB2 LYS A 22 12.041 -2.056 -1.338 1.00 71.34 H new ATOM 0 HB3 LYS A 22 10.917 -2.797 -0.216 1.00 71.34 H new ATOM 0 HG2 LYS A 22 12.366 -1.722 1.237 1.00 23.15 H new ATOM 0 HG3 LYS A 22 13.055 -3.333 1.203 1.00 23.15 H new ATOM 0 HD2 LYS A 22 14.702 -2.619 -0.499 1.00 3.51 H new ATOM 0 HD3 LYS A 22 13.989 -1.018 -0.541 1.00 3.51 H new ATOM 0 HE2 LYS A 22 14.636 -0.578 1.754 1.00 24.23 H new ATOM 0 HE3 LYS A 22 15.108 -2.247 2.006 1.00 24.23 H new ATOM 0 HZ1 LYS A 22 17.028 -0.840 1.633 1.00 13.15 H new ATOM 0 HZ2 LYS A 22 16.879 -1.964 0.369 1.00 13.15 H new ATOM 0 HZ3 LYS A 22 16.422 -0.347 0.125 1.00 13.15 H new ATOM 314 N LEU A 23 10.371 -5.667 -0.768 1.00 32.33 N ATOM 315 CA LEU A 23 9.614 -6.702 -0.072 1.00 61.13 C ATOM 316 C LEU A 23 10.219 -8.080 -0.324 1.00 3.23 C ATOM 317 O LEU A 23 10.257 -8.925 0.571 1.00 4.40 O ATOM 318 CB LEU A 23 8.153 -6.685 -0.525 1.00 74.01 C ATOM 319 CG LEU A 23 7.319 -5.493 -0.053 1.00 53.45 C ATOM 320 CD1 LEU A 23 5.977 -5.463 -0.769 1.00 5.51 C ATOM 321 CD2 LEU A 23 7.120 -5.544 1.454 1.00 42.21 C ATOM 0 H LEU A 23 9.902 -5.281 -1.588 1.00 32.33 H new ATOM 0 HA LEU A 23 9.659 -6.494 0.997 1.00 61.13 H new ATOM 0 HB2 LEU A 23 8.131 -6.710 -1.614 1.00 74.01 H new ATOM 0 HB3 LEU A 23 7.674 -7.600 -0.175 1.00 74.01 H new ATOM 0 HG LEU A 23 7.859 -4.578 -0.297 1.00 53.45 H new ATOM 0 HD11 LEU A 23 5.398 -4.608 -0.420 1.00 5.51 H new ATOM 0 HD12 LEU A 23 6.140 -5.377 -1.843 1.00 5.51 H new ATOM 0 HD13 LEU A 23 5.431 -6.382 -0.557 1.00 5.51 H new ATOM 0 HD21 LEU A 23 6.524 -4.688 1.772 1.00 42.21 H new ATOM 0 HD22 LEU A 23 6.603 -6.465 1.722 1.00 42.21 H new ATOM 0 HD23 LEU A 23 8.090 -5.515 1.950 1.00 42.21 H new ATOM 333 N ASN A 24 10.692 -8.299 -1.545 1.00 64.03 N ATOM 334 CA ASN A 24 11.298 -9.574 -1.913 1.00 71.23 C ATOM 335 C ASN A 24 12.487 -9.893 -1.013 1.00 34.05 C ATOM 336 O ASN A 24 12.890 -11.049 -0.885 1.00 53.24 O ATOM 337 CB ASN A 24 11.746 -9.546 -3.376 1.00 71.44 C ATOM 338 CG ASN A 24 10.750 -10.222 -4.299 1.00 52.02 C ATOM 339 OD1 ASN A 24 10.659 -11.449 -4.343 1.00 11.25 O ATOM 340 ND2 ASN A 24 9.995 -9.420 -5.042 1.00 22.11 N ATOM 0 H ASN A 24 10.668 -7.611 -2.297 1.00 64.03 H new ATOM 0 HA ASN A 24 10.548 -10.354 -1.783 1.00 71.23 H new ATOM 0 HB2 ASN A 24 11.885 -8.512 -3.691 1.00 71.44 H new ATOM 0 HB3 ASN A 24 12.714 -10.039 -3.466 1.00 71.44 H new ATOM 0 HD21 ASN A 24 9.306 -9.816 -5.681 1.00 22.11 H new ATOM 0 HD22 ASN A 24 10.104 -8.408 -4.973 1.00 22.11 H new ATOM 347 N GLU A 25 13.042 -8.859 -0.388 1.00 24.13 N ATOM 348 CA GLU A 25 14.185 -9.029 0.502 1.00 70.44 C ATOM 349 C GLU A 25 13.736 -9.507 1.879 1.00 25.35 C ATOM 350 O GLU A 25 14.448 -10.253 2.551 1.00 30.13 O ATOM 351 CB GLU A 25 14.958 -7.715 0.633 1.00 41.15 C ATOM 352 CG GLU A 25 15.174 -7.000 -0.691 1.00 33.41 C ATOM 353 CD GLU A 25 16.605 -6.537 -0.877 1.00 2.33 C ATOM 354 OE1 GLU A 25 16.990 -5.532 -0.241 1.00 32.12 O ATOM 355 OE2 GLU A 25 17.341 -7.176 -1.657 1.00 75.41 O ATOM 0 H GLU A 25 12.719 -7.896 -0.481 1.00 24.13 H new ATOM 0 HA GLU A 25 14.840 -9.786 0.070 1.00 70.44 H new ATOM 0 HB2 GLU A 25 14.419 -7.052 1.310 1.00 41.15 H new ATOM 0 HB3 GLU A 25 15.927 -7.917 1.089 1.00 41.15 H new ATOM 0 HG2 GLU A 25 14.903 -7.668 -1.509 1.00 33.41 H new ATOM 0 HG3 GLU A 25 14.507 -6.140 -0.748 1.00 33.41 H new ATOM 362 N SER A 26 12.550 -9.072 2.292 1.00 74.11 N ATOM 363 CA SER A 26 12.007 -9.452 3.592 1.00 62.14 C ATOM 364 C SER A 26 11.398 -10.851 3.538 1.00 44.51 C ATOM 365 O SER A 26 10.197 -11.007 3.322 1.00 54.34 O ATOM 366 CB SER A 26 10.952 -8.440 4.042 1.00 34.20 C ATOM 367 OG SER A 26 11.060 -8.174 5.429 1.00 12.32 O ATOM 0 H SER A 26 11.947 -8.457 1.746 1.00 74.11 H new ATOM 0 HA SER A 26 12.824 -9.459 4.313 1.00 62.14 H new ATOM 0 HB2 SER A 26 11.070 -7.513 3.481 1.00 34.20 H new ATOM 0 HB3 SER A 26 9.957 -8.824 3.819 1.00 34.20 H new ATOM 0 HG SER A 26 10.376 -7.523 5.691 1.00 12.32 H new ATOM 373 N GLU A 27 12.237 -11.863 3.737 1.00 11.41 N ATOM 374 CA GLU A 27 11.782 -13.247 3.710 1.00 11.33 C ATOM 375 C GLU A 27 10.661 -13.471 4.722 1.00 45.41 C ATOM 376 O GLU A 27 9.747 -14.262 4.488 1.00 25.05 O ATOM 377 CB GLU A 27 12.946 -14.196 4.004 1.00 33.11 C ATOM 378 CG GLU A 27 12.872 -15.505 3.237 1.00 5.40 C ATOM 379 CD GLU A 27 14.088 -16.383 3.462 1.00 0.35 C ATOM 380 OE1 GLU A 27 15.215 -15.844 3.470 1.00 43.32 O ATOM 381 OE2 GLU A 27 13.913 -17.608 3.632 1.00 1.41 O ATOM 0 H GLU A 27 13.234 -11.750 3.918 1.00 11.41 H new ATOM 0 HA GLU A 27 11.395 -13.456 2.713 1.00 11.33 H new ATOM 0 HB2 GLU A 27 13.883 -13.695 3.761 1.00 33.11 H new ATOM 0 HB3 GLU A 27 12.967 -14.411 5.072 1.00 33.11 H new ATOM 0 HG2 GLU A 27 11.976 -16.048 3.538 1.00 5.40 H new ATOM 0 HG3 GLU A 27 12.774 -15.293 2.172 1.00 5.40 H new ATOM 388 N ALA A 28 10.739 -12.769 5.848 1.00 42.33 N ATOM 389 CA ALA A 28 9.732 -12.889 6.895 1.00 3.03 C ATOM 390 C ALA A 28 8.348 -12.528 6.369 1.00 50.33 C ATOM 391 O ALA A 28 7.369 -13.225 6.637 1.00 44.41 O ATOM 392 CB ALA A 28 10.096 -12.008 8.081 1.00 53.44 C ATOM 0 H ALA A 28 11.490 -12.111 6.058 1.00 42.33 H new ATOM 0 HA ALA A 28 9.707 -13.928 7.224 1.00 3.03 H new ATOM 0 HB1 ALA A 28 9.335 -12.108 8.855 1.00 53.44 H new ATOM 0 HB2 ALA A 28 11.062 -12.316 8.480 1.00 53.44 H new ATOM 0 HB3 ALA A 28 10.151 -10.968 7.758 1.00 53.44 H new ATOM 398 N TYR A 29 8.272 -11.434 5.619 1.00 4.23 N ATOM 399 CA TYR A 29 7.006 -10.977 5.059 1.00 73.24 C ATOM 400 C TYR A 29 6.341 -12.084 4.245 1.00 43.33 C ATOM 401 O TYR A 29 5.200 -12.464 4.510 1.00 61.24 O ATOM 402 CB TYR A 29 7.228 -9.745 4.180 1.00 14.20 C ATOM 403 CG TYR A 29 6.105 -9.490 3.199 1.00 31.30 C ATOM 404 CD1 TYR A 29 4.782 -9.456 3.622 1.00 2.53 C ATOM 405 CD2 TYR A 29 6.367 -9.286 1.850 1.00 61.13 C ATOM 406 CE1 TYR A 29 3.753 -9.224 2.730 1.00 71.00 C ATOM 407 CE2 TYR A 29 5.345 -9.052 0.951 1.00 74.43 C ATOM 408 CZ TYR A 29 4.039 -9.023 1.395 1.00 2.51 C ATOM 409 OH TYR A 29 3.018 -8.791 0.503 1.00 65.55 O ATOM 0 H TYR A 29 9.073 -10.847 5.385 1.00 4.23 H new ATOM 0 HA TYR A 29 6.346 -10.711 5.885 1.00 73.24 H new ATOM 0 HB2 TYR A 29 7.347 -8.870 4.819 1.00 14.20 H new ATOM 0 HB3 TYR A 29 8.160 -9.866 3.629 1.00 14.20 H new ATOM 0 HD1 TYR A 29 4.554 -9.614 4.666 1.00 2.53 H new ATOM 0 HD2 TYR A 29 7.388 -9.311 1.498 1.00 61.13 H new ATOM 0 HE1 TYR A 29 2.730 -9.200 3.076 1.00 71.00 H new ATOM 0 HE2 TYR A 29 5.567 -8.893 -0.094 1.00 74.43 H new ATOM 0 HH TYR A 29 2.160 -8.802 0.977 1.00 65.55 H new ATOM 419 N ARG A 30 7.063 -12.595 3.253 1.00 54.23 N ATOM 420 CA ARG A 30 6.544 -13.657 2.399 1.00 1.24 C ATOM 421 C ARG A 30 5.923 -14.772 3.235 1.00 51.11 C ATOM 422 O ARG A 30 4.868 -15.306 2.893 1.00 54.23 O ATOM 423 CB ARG A 30 7.660 -14.225 1.520 1.00 11.44 C ATOM 424 CG ARG A 30 7.203 -15.351 0.607 1.00 51.31 C ATOM 425 CD ARG A 30 8.375 -15.984 -0.126 1.00 33.54 C ATOM 426 NE ARG A 30 8.189 -17.420 -0.317 1.00 64.35 N ATOM 427 CZ ARG A 30 8.078 -18.287 0.684 1.00 11.20 C ATOM 428 NH1 ARG A 30 8.133 -17.865 1.940 1.00 60.12 N ATOM 429 NH2 ARG A 30 7.910 -19.578 0.429 1.00 24.22 N ATOM 0 H ARG A 30 8.009 -12.291 3.021 1.00 54.23 H new ATOM 0 HA ARG A 30 5.770 -13.230 1.761 1.00 1.24 H new ATOM 0 HB2 ARG A 30 8.076 -13.422 0.912 1.00 11.44 H new ATOM 0 HB3 ARG A 30 8.464 -14.590 2.159 1.00 11.44 H new ATOM 0 HG2 ARG A 30 6.687 -16.110 1.194 1.00 51.31 H new ATOM 0 HG3 ARG A 30 6.485 -14.965 -0.117 1.00 51.31 H new ATOM 0 HD2 ARG A 30 8.499 -15.502 -1.096 1.00 33.54 H new ATOM 0 HD3 ARG A 30 9.292 -15.809 0.437 1.00 33.54 H new ATOM 0 HE ARG A 30 8.142 -17.777 -1.271 1.00 64.35 H new ATOM 0 HH11 ARG A 30 8.261 -16.873 2.140 1.00 60.12 H new ATOM 0 HH12 ARG A 30 8.048 -18.533 2.706 1.00 60.12 H new ATOM 0 HH21 ARG A 30 7.866 -19.906 -0.536 1.00 24.22 H new ATOM 0 HH22 ARG A 30 7.825 -20.243 1.198 1.00 24.22 H new ATOM 443 N LYS A 31 6.585 -15.119 4.333 1.00 31.54 N ATOM 444 CA LYS A 31 6.098 -16.170 5.220 1.00 51.25 C ATOM 445 C LYS A 31 4.754 -15.789 5.830 1.00 0.31 C ATOM 446 O LYS A 31 3.882 -16.636 6.014 1.00 73.33 O ATOM 447 CB LYS A 31 7.116 -16.441 6.331 1.00 52.12 C ATOM 448 CG LYS A 31 8.419 -17.041 5.828 1.00 12.45 C ATOM 449 CD LYS A 31 9.250 -17.601 6.971 1.00 44.24 C ATOM 450 CE LYS A 31 9.664 -19.040 6.704 1.00 51.12 C ATOM 451 NZ LYS A 31 10.462 -19.605 7.827 1.00 71.33 N ATOM 0 H LYS A 31 7.460 -14.688 4.631 1.00 31.54 H new ATOM 0 HA LYS A 31 5.964 -17.076 4.629 1.00 51.25 H new ATOM 0 HB2 LYS A 31 7.332 -15.507 6.850 1.00 52.12 H new ATOM 0 HB3 LYS A 31 6.672 -17.117 7.062 1.00 52.12 H new ATOM 0 HG2 LYS A 31 8.204 -17.833 5.111 1.00 12.45 H new ATOM 0 HG3 LYS A 31 8.992 -16.279 5.299 1.00 12.45 H new ATOM 0 HD2 LYS A 31 10.138 -16.986 7.112 1.00 44.24 H new ATOM 0 HD3 LYS A 31 8.677 -17.552 7.897 1.00 44.24 H new ATOM 0 HE2 LYS A 31 8.775 -19.651 6.547 1.00 51.12 H new ATOM 0 HE3 LYS A 31 10.248 -19.085 5.785 1.00 51.12 H new ATOM 0 HZ1 LYS A 31 10.725 -20.587 7.607 1.00 71.33 H new ATOM 0 HZ2 LYS A 31 11.323 -19.038 7.961 1.00 71.33 H new ATOM 0 HZ3 LYS A 31 9.896 -19.586 8.699 1.00 71.33 H new ATOM 465 N ALA A 32 4.593 -14.507 6.142 1.00 5.31 N ATOM 466 CA ALA A 32 3.354 -14.012 6.729 1.00 61.41 C ATOM 467 C ALA A 32 2.208 -14.075 5.724 1.00 34.13 C ATOM 468 O ALA A 32 1.207 -14.754 5.953 1.00 41.30 O ATOM 469 CB ALA A 32 3.539 -12.588 7.231 1.00 11.24 C ATOM 0 H ALA A 32 5.306 -13.792 5.998 1.00 5.31 H new ATOM 0 HA ALA A 32 3.100 -14.653 7.573 1.00 61.41 H new ATOM 0 HB1 ALA A 32 2.606 -12.232 7.667 1.00 11.24 H new ATOM 0 HB2 ALA A 32 4.323 -12.568 7.987 1.00 11.24 H new ATOM 0 HB3 ALA A 32 3.821 -11.943 6.399 1.00 11.24 H new ATOM 475 N ALA A 33 2.362 -13.364 4.612 1.00 30.50 N ATOM 476 CA ALA A 33 1.341 -13.341 3.573 1.00 12.41 C ATOM 477 C ALA A 33 1.484 -14.535 2.635 1.00 71.10 C ATOM 478 O ALA A 33 1.228 -14.429 1.436 1.00 0.34 O ATOM 479 CB ALA A 33 1.414 -12.040 2.788 1.00 45.01 C ATOM 0 H ALA A 33 3.184 -12.796 4.408 1.00 30.50 H new ATOM 0 HA ALA A 33 0.366 -13.406 4.056 1.00 12.41 H new ATOM 0 HB1 ALA A 33 0.645 -12.038 2.015 1.00 45.01 H new ATOM 0 HB2 ALA A 33 1.254 -11.199 3.462 1.00 45.01 H new ATOM 0 HB3 ALA A 33 2.396 -11.950 2.323 1.00 45.01 H new ATOM 485 N SER A 34 1.896 -15.671 3.190 1.00 40.10 N ATOM 486 CA SER A 34 2.079 -16.884 2.401 1.00 0.03 C ATOM 487 C SER A 34 0.751 -17.356 1.816 1.00 61.15 C ATOM 488 O SER A 34 -0.297 -17.245 2.452 1.00 1.03 O ATOM 489 CB SER A 34 2.691 -17.990 3.263 1.00 4.35 C ATOM 490 OG SER A 34 3.282 -18.996 2.458 1.00 53.33 O ATOM 0 H SER A 34 2.109 -15.777 4.182 1.00 40.10 H new ATOM 0 HA SER A 34 2.758 -16.655 1.579 1.00 0.03 H new ATOM 0 HB2 SER A 34 3.442 -17.564 3.928 1.00 4.35 H new ATOM 0 HB3 SER A 34 1.920 -18.431 3.895 1.00 4.35 H new ATOM 0 HG SER A 34 3.667 -19.690 3.032 1.00 53.33 H new ATOM 496 N THR A 35 0.804 -17.884 0.597 1.00 20.25 N ATOM 497 CA THR A 35 -0.393 -18.373 -0.077 1.00 2.50 C ATOM 498 C THR A 35 -1.125 -17.240 -0.787 1.00 10.33 C ATOM 499 O THR A 35 -1.742 -17.446 -1.832 1.00 25.54 O ATOM 500 CB THR A 35 -1.357 -19.051 0.914 1.00 14.45 C ATOM 501 OG1 THR A 35 -0.621 -19.630 1.996 1.00 31.45 O ATOM 502 CG2 THR A 35 -2.179 -20.127 0.219 1.00 22.15 C ATOM 0 H THR A 35 1.663 -17.984 0.056 1.00 20.25 H new ATOM 0 HA THR A 35 -0.065 -19.107 -0.813 1.00 2.50 H new ATOM 0 HB THR A 35 -2.036 -18.292 1.303 1.00 14.45 H new ATOM 0 HG1 THR A 35 -0.607 -19.007 2.752 1.00 31.45 H new ATOM 0 HG21 THR A 35 -2.853 -20.592 0.939 1.00 22.15 H new ATOM 0 HG22 THR A 35 -2.761 -19.677 -0.585 1.00 22.15 H new ATOM 0 HG23 THR A 35 -1.512 -20.883 -0.195 1.00 22.15 H new ATOM 510 N TRP A 36 -1.052 -16.044 -0.214 1.00 34.25 N ATOM 511 CA TRP A 36 -1.708 -14.878 -0.793 1.00 52.21 C ATOM 512 C TRP A 36 -1.496 -14.828 -2.302 1.00 52.43 C ATOM 513 O TRP A 36 -0.386 -14.582 -2.773 1.00 10.03 O ATOM 514 CB TRP A 36 -1.179 -13.596 -0.149 1.00 25.13 C ATOM 515 CG TRP A 36 -1.586 -12.352 -0.878 1.00 52.02 C ATOM 516 CD1 TRP A 36 -1.058 -11.875 -2.045 1.00 34.53 C ATOM 517 CD2 TRP A 36 -2.605 -11.424 -0.489 1.00 33.42 C ATOM 518 NE1 TRP A 36 -1.687 -10.709 -2.403 1.00 55.32 N ATOM 519 CE2 TRP A 36 -2.642 -10.411 -1.466 1.00 10.10 C ATOM 520 CE3 TRP A 36 -3.493 -11.353 0.589 1.00 43.11 C ATOM 521 CZ2 TRP A 36 -3.529 -9.340 -1.396 1.00 35.24 C ATOM 522 CZ3 TRP A 36 -4.372 -10.289 0.658 1.00 74.54 C ATOM 523 CH2 TRP A 36 -4.386 -9.295 -0.330 1.00 34.23 C ATOM 0 H TRP A 36 -0.545 -15.857 0.651 1.00 34.25 H new ATOM 0 HA TRP A 36 -2.777 -14.960 -0.597 1.00 52.21 H new ATOM 0 HB2 TRP A 36 -1.538 -13.540 0.879 1.00 25.13 H new ATOM 0 HB3 TRP A 36 -0.091 -13.643 -0.105 1.00 25.13 H new ATOM 0 HD1 TRP A 36 -0.263 -12.346 -2.603 1.00 34.53 H new ATOM 0 HE1 TRP A 36 -1.478 -10.154 -3.233 1.00 55.32 H new ATOM 0 HE3 TRP A 36 -3.492 -12.116 1.354 1.00 43.11 H new ATOM 0 HZ2 TRP A 36 -3.540 -8.572 -2.156 1.00 35.24 H new ATOM 0 HZ3 TRP A 36 -5.060 -10.222 1.488 1.00 74.54 H new ATOM 0 HH2 TRP A 36 -5.087 -8.477 -0.248 1.00 34.23 H new ATOM 534 N GLU A 37 -2.567 -15.062 -3.055 1.00 4.41 N ATOM 535 CA GLU A 37 -2.494 -15.043 -4.511 1.00 34.30 C ATOM 536 C GLU A 37 -3.331 -13.902 -5.083 1.00 31.22 C ATOM 537 O GLU A 37 -4.559 -13.919 -5.005 1.00 31.12 O ATOM 538 CB GLU A 37 -2.973 -16.378 -5.084 1.00 65.03 C ATOM 539 CG GLU A 37 -1.929 -17.481 -5.014 1.00 12.55 C ATOM 540 CD GLU A 37 -2.538 -18.845 -4.753 1.00 12.55 C ATOM 541 OE1 GLU A 37 -3.023 -19.071 -3.624 1.00 60.34 O ATOM 542 OE2 GLU A 37 -2.528 -19.685 -5.675 1.00 52.24 O ATOM 0 H GLU A 37 -3.494 -15.267 -2.681 1.00 4.41 H new ATOM 0 HA GLU A 37 -1.454 -14.885 -4.796 1.00 34.30 H new ATOM 0 HB2 GLU A 37 -3.864 -16.697 -4.543 1.00 65.03 H new ATOM 0 HB3 GLU A 37 -3.267 -16.233 -6.124 1.00 65.03 H new ATOM 0 HG2 GLU A 37 -1.372 -17.509 -5.951 1.00 12.55 H new ATOM 0 HG3 GLU A 37 -1.214 -17.250 -4.225 1.00 12.55 H new ATOM 549 N GLY A 38 -2.656 -12.911 -5.657 1.00 51.13 N ATOM 550 CA GLY A 38 -3.353 -11.775 -6.233 1.00 12.23 C ATOM 551 C GLY A 38 -2.537 -10.500 -6.168 1.00 23.24 C ATOM 552 O GLY A 38 -1.390 -10.511 -5.718 1.00 71.32 O ATOM 0 H GLY A 38 -1.640 -12.874 -5.734 1.00 51.13 H new ATOM 0 HA2 GLY A 38 -3.599 -11.993 -7.272 1.00 12.23 H new ATOM 0 HA3 GLY A 38 -4.296 -11.626 -5.707 1.00 12.23 H new ATOM 556 N SER A 39 -3.126 -9.398 -6.618 1.00 51.20 N ATOM 557 CA SER A 39 -2.444 -8.109 -6.614 1.00 33.24 C ATOM 558 C SER A 39 -3.226 -7.082 -5.801 1.00 13.20 C ATOM 559 O SER A 39 -4.458 -7.070 -5.815 1.00 12.23 O ATOM 560 CB SER A 39 -2.253 -7.605 -8.045 1.00 43.11 C ATOM 561 OG SER A 39 -3.461 -7.688 -8.781 1.00 32.22 O ATOM 0 H SER A 39 -4.075 -9.371 -6.991 1.00 51.20 H new ATOM 0 HA SER A 39 -1.467 -8.245 -6.151 1.00 33.24 H new ATOM 0 HB2 SER A 39 -1.905 -6.572 -8.027 1.00 43.11 H new ATOM 0 HB3 SER A 39 -1.480 -8.193 -8.541 1.00 43.11 H new ATOM 0 HG SER A 39 -3.312 -7.358 -9.692 1.00 32.22 H new ATOM 567 N LEU A 40 -2.503 -6.221 -5.093 1.00 63.42 N ATOM 568 CA LEU A 40 -3.128 -5.189 -4.274 1.00 33.35 C ATOM 569 C LEU A 40 -2.955 -3.812 -4.906 1.00 74.11 C ATOM 570 O LEU A 40 -2.066 -3.605 -5.731 1.00 52.43 O ATOM 571 CB LEU A 40 -2.529 -5.195 -2.866 1.00 4.11 C ATOM 572 CG LEU A 40 -3.128 -4.195 -1.877 1.00 40.12 C ATOM 573 CD1 LEU A 40 -4.549 -4.591 -1.511 1.00 23.02 C ATOM 574 CD2 LEU A 40 -2.262 -4.095 -0.630 1.00 4.43 C ATOM 0 H LEU A 40 -1.483 -6.217 -5.070 1.00 63.42 H new ATOM 0 HA LEU A 40 -4.194 -5.407 -4.210 1.00 33.35 H new ATOM 0 HB2 LEU A 40 -2.639 -6.197 -2.450 1.00 4.11 H new ATOM 0 HB3 LEU A 40 -1.460 -4.999 -2.947 1.00 4.11 H new ATOM 0 HG LEU A 40 -3.158 -3.215 -2.354 1.00 40.12 H new ATOM 0 HD11 LEU A 40 -4.958 -3.867 -0.806 1.00 23.02 H new ATOM 0 HD12 LEU A 40 -5.165 -4.610 -2.410 1.00 23.02 H new ATOM 0 HD13 LEU A 40 -4.545 -5.580 -1.054 1.00 23.02 H new ATOM 0 HD21 LEU A 40 -2.703 -3.379 0.063 1.00 4.43 H new ATOM 0 HD22 LEU A 40 -2.200 -5.072 -0.151 1.00 4.43 H new ATOM 0 HD23 LEU A 40 -1.262 -3.762 -0.907 1.00 4.43 H new ATOM 586 N ALA A 41 -3.811 -2.874 -4.514 1.00 33.43 N ATOM 587 CA ALA A 41 -3.752 -1.517 -5.039 1.00 10.23 C ATOM 588 C ALA A 41 -4.094 -0.495 -3.960 1.00 55.03 C ATOM 589 O ALA A 41 -5.077 -0.650 -3.233 1.00 64.43 O ATOM 590 CB ALA A 41 -4.690 -1.368 -6.227 1.00 61.44 C ATOM 0 H ALA A 41 -4.554 -3.030 -3.833 1.00 33.43 H new ATOM 0 HA ALA A 41 -2.731 -1.327 -5.371 1.00 10.23 H new ATOM 0 HB1 ALA A 41 -4.635 -0.348 -6.608 1.00 61.44 H new ATOM 0 HB2 ALA A 41 -4.397 -2.065 -7.012 1.00 61.44 H new ATOM 0 HB3 ALA A 41 -5.711 -1.583 -5.913 1.00 61.44 H new ATOM 596 N LEU A 42 -3.281 0.551 -3.861 1.00 65.44 N ATOM 597 CA LEU A 42 -3.498 1.599 -2.870 1.00 70.34 C ATOM 598 C LEU A 42 -3.863 2.918 -3.545 1.00 2.02 C ATOM 599 O LEU A 42 -2.991 3.650 -4.012 1.00 21.33 O ATOM 600 CB LEU A 42 -2.247 1.781 -2.010 1.00 54.40 C ATOM 601 CG LEU A 42 -1.671 0.511 -1.385 1.00 74.14 C ATOM 602 CD1 LEU A 42 -0.368 0.815 -0.663 1.00 5.10 C ATOM 603 CD2 LEU A 42 -2.677 -0.119 -0.433 1.00 31.01 C ATOM 0 H LEU A 42 -2.465 0.696 -4.455 1.00 65.44 H new ATOM 0 HA LEU A 42 -4.328 1.297 -2.232 1.00 70.34 H new ATOM 0 HB2 LEU A 42 -1.473 2.243 -2.623 1.00 54.40 H new ATOM 0 HB3 LEU A 42 -2.480 2.482 -1.209 1.00 54.40 H new ATOM 0 HG LEU A 42 -1.462 -0.201 -2.183 1.00 74.14 H new ATOM 0 HD11 LEU A 42 0.027 -0.101 -0.224 1.00 5.10 H new ATOM 0 HD12 LEU A 42 0.355 1.219 -1.372 1.00 5.10 H new ATOM 0 HD13 LEU A 42 -0.551 1.545 0.125 1.00 5.10 H new ATOM 0 HD21 LEU A 42 -2.250 -1.022 0.003 1.00 31.01 H new ATOM 0 HD22 LEU A 42 -2.918 0.588 0.361 1.00 31.01 H new ATOM 0 HD23 LEU A 42 -3.585 -0.374 -0.980 1.00 31.01 H new ATOM 615 N ALA A 43 -5.157 3.215 -3.588 1.00 33.02 N ATOM 616 CA ALA A 43 -5.638 4.448 -4.200 1.00 42.15 C ATOM 617 C ALA A 43 -5.797 5.551 -3.160 1.00 54.20 C ATOM 618 O ALA A 43 -6.011 5.279 -1.979 1.00 34.14 O ATOM 619 CB ALA A 43 -6.957 4.202 -4.919 1.00 22.12 C ATOM 0 H ALA A 43 -5.892 2.619 -3.206 1.00 33.02 H new ATOM 0 HA ALA A 43 -4.897 4.776 -4.928 1.00 42.15 H new ATOM 0 HB1 ALA A 43 -7.304 5.131 -5.371 1.00 22.12 H new ATOM 0 HB2 ALA A 43 -6.813 3.452 -5.697 1.00 22.12 H new ATOM 0 HB3 ALA A 43 -7.700 3.846 -4.205 1.00 22.12 H new ATOM 625 N VAL A 44 -5.693 6.799 -3.607 1.00 24.24 N ATOM 626 CA VAL A 44 -5.825 7.945 -2.714 1.00 74.52 C ATOM 627 C VAL A 44 -6.804 8.970 -3.278 1.00 65.15 C ATOM 628 O VAL A 44 -6.692 9.379 -4.434 1.00 25.31 O ATOM 629 CB VAL A 44 -4.468 8.627 -2.471 1.00 31.22 C ATOM 630 CG1 VAL A 44 -4.654 9.932 -1.712 1.00 71.04 C ATOM 631 CG2 VAL A 44 -3.531 7.693 -1.719 1.00 44.42 C ATOM 0 H VAL A 44 -5.518 7.042 -4.582 1.00 24.24 H new ATOM 0 HA VAL A 44 -6.206 7.565 -1.766 1.00 74.52 H new ATOM 0 HB VAL A 44 -4.018 8.857 -3.437 1.00 31.22 H new ATOM 0 HG11 VAL A 44 -3.683 10.400 -1.549 1.00 71.04 H new ATOM 0 HG12 VAL A 44 -5.288 10.603 -2.292 1.00 71.04 H new ATOM 0 HG13 VAL A 44 -5.125 9.729 -0.750 1.00 71.04 H new ATOM 0 HG21 VAL A 44 -2.575 8.191 -1.555 1.00 44.42 H new ATOM 0 HG22 VAL A 44 -3.973 7.431 -0.758 1.00 44.42 H new ATOM 0 HG23 VAL A 44 -3.373 6.787 -2.305 1.00 44.42 H new ATOM 641 N ARG A 45 -7.762 9.382 -2.453 1.00 74.55 N ATOM 642 CA ARG A 45 -8.760 10.359 -2.870 1.00 4.20 C ATOM 643 C ARG A 45 -8.094 11.594 -3.471 1.00 11.03 C ATOM 644 O ARG A 45 -6.984 11.975 -3.097 1.00 20.24 O ATOM 645 CB ARG A 45 -9.634 10.764 -1.682 1.00 73.12 C ATOM 646 CG ARG A 45 -10.542 9.650 -1.186 1.00 21.15 C ATOM 647 CD ARG A 45 -11.960 9.812 -1.710 1.00 51.12 C ATOM 648 NE ARG A 45 -12.895 8.905 -1.049 1.00 63.21 N ATOM 649 CZ ARG A 45 -13.436 9.146 0.140 1.00 14.20 C ATOM 650 NH1 ARG A 45 -13.139 10.260 0.794 1.00 12.14 N ATOM 651 NH2 ARG A 45 -14.279 8.272 0.676 1.00 60.43 N ATOM 0 H ARG A 45 -7.868 9.054 -1.493 1.00 74.55 H new ATOM 0 HA ARG A 45 -9.387 9.899 -3.633 1.00 4.20 H new ATOM 0 HB2 ARG A 45 -8.992 11.089 -0.864 1.00 73.12 H new ATOM 0 HB3 ARG A 45 -10.246 11.620 -1.967 1.00 73.12 H new ATOM 0 HG2 ARG A 45 -10.144 8.686 -1.503 1.00 21.15 H new ATOM 0 HG3 ARG A 45 -10.554 9.647 -0.096 1.00 21.15 H new ATOM 0 HD2 ARG A 45 -12.286 10.841 -1.560 1.00 51.12 H new ATOM 0 HD3 ARG A 45 -11.973 9.626 -2.784 1.00 51.12 H new ATOM 0 HE ARG A 45 -13.146 8.039 -1.527 1.00 63.21 H new ATOM 0 HH11 ARG A 45 -12.493 10.935 0.384 1.00 12.14 H new ATOM 0 HH12 ARG A 45 -13.556 10.442 1.707 1.00 12.14 H new ATOM 0 HH21 ARG A 45 -14.512 7.415 0.175 1.00 60.43 H new ATOM 0 HH22 ARG A 45 -14.694 8.458 1.589 1.00 60.43 H new ATOM 665 N PRO A 46 -8.785 12.235 -4.424 1.00 73.31 N ATOM 666 CA PRO A 46 -8.281 13.436 -5.096 1.00 3.02 C ATOM 667 C PRO A 46 -8.246 14.647 -4.170 1.00 55.20 C ATOM 668 O PRO A 46 -9.241 14.974 -3.523 1.00 75.22 O ATOM 669 CB PRO A 46 -9.286 13.657 -6.229 1.00 52.11 C ATOM 670 CG PRO A 46 -10.542 13.013 -5.753 1.00 22.43 C ATOM 671 CD PRO A 46 -10.114 11.837 -4.920 1.00 60.50 C ATOM 0 HA PRO A 46 -7.254 13.311 -5.438 1.00 3.02 H new ATOM 0 HB2 PRO A 46 -9.435 14.719 -6.424 1.00 52.11 H new ATOM 0 HB3 PRO A 46 -8.939 13.208 -7.159 1.00 52.11 H new ATOM 0 HG2 PRO A 46 -11.140 13.710 -5.166 1.00 22.43 H new ATOM 0 HG3 PRO A 46 -11.159 12.693 -6.593 1.00 22.43 H new ATOM 0 HD2 PRO A 46 -10.809 11.650 -4.101 1.00 60.50 H new ATOM 0 HD3 PRO A 46 -10.065 10.923 -5.511 1.00 60.50 H new ATOM 679 N ASP A 47 -7.096 15.308 -4.112 1.00 42.20 N ATOM 680 CA ASP A 47 -6.932 16.485 -3.266 1.00 34.22 C ATOM 681 C ASP A 47 -5.801 17.370 -3.778 1.00 65.33 C ATOM 682 O ASP A 47 -4.739 16.892 -4.178 1.00 24.52 O ATOM 683 CB ASP A 47 -6.657 16.066 -1.822 1.00 10.34 C ATOM 684 CG ASP A 47 -7.356 16.959 -0.816 1.00 1.44 C ATOM 685 OD1 ASP A 47 -8.565 16.756 -0.579 1.00 61.44 O ATOM 686 OD2 ASP A 47 -6.692 17.862 -0.263 1.00 54.42 O ATOM 0 H ASP A 47 -6.263 15.049 -4.641 1.00 42.20 H new ATOM 0 HA ASP A 47 -7.859 17.058 -3.299 1.00 34.22 H new ATOM 0 HB2 ASP A 47 -6.983 15.036 -1.677 1.00 10.34 H new ATOM 0 HB3 ASP A 47 -5.583 16.089 -1.639 1.00 10.34 H new ATOM 691 N PRO A 48 -6.031 18.691 -3.768 1.00 61.12 N ATOM 692 CA PRO A 48 -5.042 19.670 -4.229 1.00 43.22 C ATOM 693 C PRO A 48 -3.845 19.773 -3.290 1.00 15.24 C ATOM 694 O PRO A 48 -2.726 20.043 -3.722 1.00 4.04 O ATOM 695 CB PRO A 48 -5.825 20.985 -4.244 1.00 11.12 C ATOM 696 CG PRO A 48 -6.913 20.789 -3.244 1.00 3.11 C ATOM 697 CD PRO A 48 -7.274 19.330 -3.307 1.00 1.44 C ATOM 0 HA PRO A 48 -4.620 19.398 -5.197 1.00 43.22 H new ATOM 0 HB2 PRO A 48 -5.188 21.828 -3.976 1.00 11.12 H new ATOM 0 HB3 PRO A 48 -6.230 21.193 -5.234 1.00 11.12 H new ATOM 0 HG2 PRO A 48 -6.579 21.066 -2.244 1.00 3.11 H new ATOM 0 HG3 PRO A 48 -7.775 21.415 -3.477 1.00 3.11 H new ATOM 0 HD2 PRO A 48 -7.584 18.950 -2.333 1.00 1.44 H new ATOM 0 HD3 PRO A 48 -8.098 19.149 -3.997 1.00 1.44 H new ATOM 705 N LYS A 49 -4.092 19.554 -2.002 1.00 43.31 N ATOM 706 CA LYS A 49 -3.035 19.621 -1.000 1.00 22.42 C ATOM 707 C LYS A 49 -1.824 18.801 -1.432 1.00 24.12 C ATOM 708 O LYS A 49 -0.718 18.995 -0.926 1.00 35.22 O ATOM 709 CB LYS A 49 -3.551 19.115 0.349 1.00 10.21 C ATOM 710 CG LYS A 49 -3.439 20.140 1.465 1.00 33.43 C ATOM 711 CD LYS A 49 -4.396 19.828 2.605 1.00 24.02 C ATOM 712 CE LYS A 49 -3.733 20.032 3.959 1.00 34.30 C ATOM 713 NZ LYS A 49 -2.739 18.963 4.256 1.00 22.25 N ATOM 0 H LYS A 49 -5.014 19.329 -1.628 1.00 43.31 H new ATOM 0 HA LYS A 49 -2.730 20.662 -0.899 1.00 22.42 H new ATOM 0 HB2 LYS A 49 -4.595 18.819 0.242 1.00 10.21 H new ATOM 0 HB3 LYS A 49 -2.994 18.221 0.630 1.00 10.21 H new ATOM 0 HG2 LYS A 49 -2.416 20.159 1.842 1.00 33.43 H new ATOM 0 HG3 LYS A 49 -3.652 21.134 1.071 1.00 33.43 H new ATOM 0 HD2 LYS A 49 -5.275 20.467 2.529 1.00 24.02 H new ATOM 0 HD3 LYS A 49 -4.742 18.798 2.519 1.00 24.02 H new ATOM 0 HE2 LYS A 49 -3.239 21.003 3.979 1.00 34.30 H new ATOM 0 HE3 LYS A 49 -4.495 20.046 4.738 1.00 34.30 H new ATOM 0 HZ1 LYS A 49 -2.473 19.006 5.260 1.00 22.25 H new ATOM 0 HZ2 LYS A 49 -3.156 18.033 4.048 1.00 22.25 H new ATOM 0 HZ3 LYS A 49 -1.893 19.102 3.667 1.00 22.25 H new ATOM 727 N ALA A 50 -2.038 17.886 -2.371 1.00 61.12 N ATOM 728 CA ALA A 50 -0.962 17.039 -2.874 1.00 1.33 C ATOM 729 C ALA A 50 -0.763 17.236 -4.373 1.00 14.23 C ATOM 730 O ALA A 50 0.188 16.719 -4.956 1.00 2.23 O ATOM 731 CB ALA A 50 -1.253 15.578 -2.566 1.00 11.14 C ATOM 0 H ALA A 50 -2.947 17.712 -2.800 1.00 61.12 H new ATOM 0 HA ALA A 50 -0.040 17.329 -2.371 1.00 1.33 H new ATOM 0 HB1 ALA A 50 -0.442 14.957 -2.947 1.00 11.14 H new ATOM 0 HB2 ALA A 50 -1.337 15.443 -1.488 1.00 11.14 H new ATOM 0 HB3 ALA A 50 -2.189 15.285 -3.042 1.00 11.14 H new ATOM 737 N GLY A 51 -1.669 17.987 -4.992 1.00 0.23 N ATOM 738 CA GLY A 51 -1.576 18.238 -6.418 1.00 3.23 C ATOM 739 C GLY A 51 -2.152 17.106 -7.244 1.00 50.55 C ATOM 740 O GLY A 51 -1.594 16.736 -8.278 1.00 50.14 O ATOM 0 H GLY A 51 -2.466 18.426 -4.531 1.00 0.23 H new ATOM 0 HA2 GLY A 51 -2.103 19.162 -6.656 1.00 3.23 H new ATOM 0 HA3 GLY A 51 -0.531 18.387 -6.690 1.00 3.23 H new ATOM 744 N PHE A 52 -3.272 16.554 -6.789 1.00 64.52 N ATOM 745 CA PHE A 52 -3.923 15.455 -7.494 1.00 20.54 C ATOM 746 C PHE A 52 -5.439 15.618 -7.471 1.00 34.21 C ATOM 747 O PHE A 52 -6.142 15.019 -6.656 1.00 5.24 O ATOM 748 CB PHE A 52 -3.533 14.115 -6.863 1.00 53.34 C ATOM 749 CG PHE A 52 -2.075 13.787 -7.009 1.00 0.03 C ATOM 750 CD1 PHE A 52 -1.570 13.336 -8.218 1.00 50.30 C ATOM 751 CD2 PHE A 52 -1.208 13.928 -5.937 1.00 74.04 C ATOM 752 CE1 PHE A 52 -0.229 13.033 -8.355 1.00 71.20 C ATOM 753 CE2 PHE A 52 0.134 13.625 -6.067 1.00 54.45 C ATOM 754 CZ PHE A 52 0.624 13.178 -7.279 1.00 4.22 C ATOM 0 H PHE A 52 -3.748 16.849 -5.936 1.00 64.52 H new ATOM 0 HA PHE A 52 -3.589 15.472 -8.531 1.00 20.54 H new ATOM 0 HB2 PHE A 52 -3.789 14.133 -5.804 1.00 53.34 H new ATOM 0 HB3 PHE A 52 -4.124 13.321 -7.320 1.00 53.34 H new ATOM 0 HD1 PHE A 52 -2.232 13.220 -9.063 1.00 50.30 H new ATOM 0 HD2 PHE A 52 -1.586 14.279 -4.988 1.00 74.04 H new ATOM 0 HE1 PHE A 52 0.152 12.683 -9.303 1.00 71.20 H new ATOM 0 HE2 PHE A 52 0.798 13.737 -5.223 1.00 54.45 H new ATOM 0 HZ PHE A 52 1.673 12.942 -7.385 1.00 4.22 H new ATOM 764 N PRO A 53 -5.958 16.448 -8.387 1.00 14.33 N ATOM 765 CA PRO A 53 -7.397 16.710 -8.494 1.00 41.13 C ATOM 766 C PRO A 53 -8.169 15.501 -9.010 1.00 54.21 C ATOM 767 O PRO A 53 -9.394 15.544 -9.141 1.00 65.44 O ATOM 768 CB PRO A 53 -7.474 17.863 -9.499 1.00 22.21 C ATOM 769 CG PRO A 53 -6.235 17.737 -10.316 1.00 23.42 C ATOM 770 CD PRO A 53 -5.181 17.196 -9.390 1.00 35.30 C ATOM 0 HA PRO A 53 -7.843 16.940 -7.526 1.00 41.13 H new ATOM 0 HB2 PRO A 53 -8.367 17.788 -10.120 1.00 22.21 H new ATOM 0 HB3 PRO A 53 -7.518 18.827 -8.993 1.00 22.21 H new ATOM 0 HG2 PRO A 53 -6.392 17.068 -11.162 1.00 23.42 H new ATOM 0 HG3 PRO A 53 -5.937 18.703 -10.724 1.00 23.42 H new ATOM 0 HD2 PRO A 53 -4.477 16.551 -9.916 1.00 35.30 H new ATOM 0 HD3 PRO A 53 -4.599 17.996 -8.932 1.00 35.30 H new ATOM 778 N LYS A 54 -7.448 14.424 -9.302 1.00 33.05 N ATOM 779 CA LYS A 54 -8.066 13.202 -9.802 1.00 23.15 C ATOM 780 C LYS A 54 -7.730 12.016 -8.902 1.00 75.05 C ATOM 781 O LYS A 54 -8.437 11.008 -8.899 1.00 63.24 O ATOM 782 CB LYS A 54 -7.599 12.918 -11.231 1.00 42.25 C ATOM 783 CG LYS A 54 -6.091 12.799 -11.366 1.00 43.25 C ATOM 784 CD LYS A 54 -5.628 13.136 -12.774 1.00 75.11 C ATOM 785 CE LYS A 54 -4.678 14.323 -12.781 1.00 11.11 C ATOM 786 NZ LYS A 54 -3.338 13.964 -12.239 1.00 11.42 N ATOM 0 H LYS A 54 -6.434 14.373 -9.201 1.00 33.05 H new ATOM 0 HA LYS A 54 -9.147 13.344 -9.800 1.00 23.15 H new ATOM 0 HB2 LYS A 54 -8.060 11.993 -11.578 1.00 42.25 H new ATOM 0 HB3 LYS A 54 -7.952 13.715 -11.885 1.00 42.25 H new ATOM 0 HG2 LYS A 54 -5.607 13.467 -10.653 1.00 43.25 H new ATOM 0 HG3 LYS A 54 -5.781 11.785 -11.113 1.00 43.25 H new ATOM 0 HD2 LYS A 54 -5.132 12.270 -13.212 1.00 75.11 H new ATOM 0 HD3 LYS A 54 -6.493 13.358 -13.399 1.00 75.11 H new ATOM 0 HE2 LYS A 54 -4.570 14.696 -13.800 1.00 11.11 H new ATOM 0 HE3 LYS A 54 -5.104 15.133 -12.189 1.00 11.11 H new ATOM 0 HZ1 LYS A 54 -2.764 14.825 -12.134 1.00 11.42 H new ATOM 0 HZ2 LYS A 54 -3.450 13.507 -11.312 1.00 11.42 H new ATOM 0 HZ3 LYS A 54 -2.863 13.309 -12.893 1.00 11.42 H new ATOM 800 N GLY A 55 -6.651 12.145 -8.138 1.00 24.33 N ATOM 801 CA GLY A 55 -6.243 11.076 -7.243 1.00 51.24 C ATOM 802 C GLY A 55 -5.143 10.216 -7.832 1.00 41.24 C ATOM 803 O GLY A 55 -4.950 10.187 -9.048 1.00 22.52 O ATOM 0 H GLY A 55 -6.051 12.970 -8.122 1.00 24.33 H new ATOM 0 HA2 GLY A 55 -5.900 11.505 -6.302 1.00 51.24 H new ATOM 0 HA3 GLY A 55 -7.105 10.450 -7.012 1.00 51.24 H new ATOM 807 N VAL A 56 -4.417 9.513 -6.969 1.00 23.20 N ATOM 808 CA VAL A 56 -3.329 8.647 -7.410 1.00 2.52 C ATOM 809 C VAL A 56 -3.536 7.216 -6.928 1.00 40.05 C ATOM 810 O VAL A 56 -4.138 6.984 -5.881 1.00 13.32 O ATOM 811 CB VAL A 56 -1.967 9.156 -6.903 1.00 41.20 C ATOM 812 CG1 VAL A 56 -1.728 8.707 -5.470 1.00 23.10 C ATOM 813 CG2 VAL A 56 -0.846 8.676 -7.815 1.00 14.44 C ATOM 0 H VAL A 56 -4.562 9.526 -5.959 1.00 23.20 H new ATOM 0 HA VAL A 56 -3.332 8.664 -8.500 1.00 2.52 H new ATOM 0 HB VAL A 56 -1.977 10.246 -6.919 1.00 41.20 H new ATOM 0 HG11 VAL A 56 -0.761 9.076 -5.130 1.00 23.10 H new ATOM 0 HG12 VAL A 56 -2.514 9.104 -4.828 1.00 23.10 H new ATOM 0 HG13 VAL A 56 -1.737 7.618 -5.424 1.00 23.10 H new ATOM 0 HG21 VAL A 56 0.110 9.045 -7.442 1.00 14.44 H new ATOM 0 HG22 VAL A 56 -0.833 7.586 -7.832 1.00 14.44 H new ATOM 0 HG23 VAL A 56 -1.011 9.053 -8.824 1.00 14.44 H new ATOM 823 N ALA A 57 -3.032 6.259 -7.701 1.00 11.22 N ATOM 824 CA ALA A 57 -3.159 4.850 -7.351 1.00 54.21 C ATOM 825 C ALA A 57 -1.830 4.121 -7.517 1.00 43.41 C ATOM 826 O ALA A 57 -1.008 4.489 -8.358 1.00 33.14 O ATOM 827 CB ALA A 57 -4.233 4.190 -8.203 1.00 14.41 C ATOM 0 H ALA A 57 -2.532 6.434 -8.573 1.00 11.22 H new ATOM 0 HA ALA A 57 -3.451 4.787 -6.303 1.00 54.21 H new ATOM 0 HB1 ALA A 57 -4.317 3.138 -7.931 1.00 14.41 H new ATOM 0 HB2 ALA A 57 -5.188 4.686 -8.033 1.00 14.41 H new ATOM 0 HB3 ALA A 57 -3.964 4.272 -9.256 1.00 14.41 H new ATOM 833 N VAL A 58 -1.623 3.087 -6.709 1.00 31.12 N ATOM 834 CA VAL A 58 -0.393 2.306 -6.765 1.00 51.21 C ATOM 835 C VAL A 58 -0.687 0.811 -6.705 1.00 54.12 C ATOM 836 O VAL A 58 -1.233 0.314 -5.720 1.00 64.01 O ATOM 837 CB VAL A 58 0.561 2.677 -5.614 1.00 62.02 C ATOM 838 CG1 VAL A 58 1.616 1.598 -5.427 1.00 22.24 C ATOM 839 CG2 VAL A 58 1.209 4.029 -5.875 1.00 24.21 C ATOM 0 H VAL A 58 -2.292 2.770 -6.007 1.00 31.12 H new ATOM 0 HA VAL A 58 0.087 2.541 -7.715 1.00 51.21 H new ATOM 0 HB VAL A 58 -0.018 2.749 -4.693 1.00 62.02 H new ATOM 0 HG11 VAL A 58 2.281 1.877 -4.610 1.00 22.24 H new ATOM 0 HG12 VAL A 58 1.130 0.651 -5.192 1.00 22.24 H new ATOM 0 HG13 VAL A 58 2.194 1.491 -6.345 1.00 22.24 H new ATOM 0 HG21 VAL A 58 1.880 4.276 -5.052 1.00 24.21 H new ATOM 0 HG22 VAL A 58 1.776 3.987 -6.805 1.00 24.21 H new ATOM 0 HG23 VAL A 58 0.436 4.794 -5.955 1.00 24.21 H new ATOM 849 N VAL A 59 -0.322 0.099 -7.766 1.00 25.43 N ATOM 850 CA VAL A 59 -0.544 -1.341 -7.834 1.00 40.31 C ATOM 851 C VAL A 59 0.613 -2.107 -7.202 1.00 51.14 C ATOM 852 O VAL A 59 1.724 -1.589 -7.085 1.00 42.52 O ATOM 853 CB VAL A 59 -0.725 -1.813 -9.289 1.00 63.11 C ATOM 854 CG1 VAL A 59 -1.168 -3.268 -9.328 1.00 4.33 C ATOM 855 CG2 VAL A 59 -1.722 -0.923 -10.017 1.00 62.50 C ATOM 0 H VAL A 59 0.129 0.496 -8.591 1.00 25.43 H new ATOM 0 HA VAL A 59 -1.458 -1.547 -7.277 1.00 40.31 H new ATOM 0 HB VAL A 59 0.235 -1.738 -9.799 1.00 63.11 H new ATOM 0 HG11 VAL A 59 -1.291 -3.583 -10.364 1.00 4.33 H new ATOM 0 HG12 VAL A 59 -0.414 -3.891 -8.846 1.00 4.33 H new ATOM 0 HG13 VAL A 59 -2.117 -3.374 -8.802 1.00 4.33 H new ATOM 0 HG21 VAL A 59 -1.838 -1.271 -11.044 1.00 62.50 H new ATOM 0 HG22 VAL A 59 -2.685 -0.964 -9.509 1.00 62.50 H new ATOM 0 HG23 VAL A 59 -1.358 0.104 -10.021 1.00 62.50 H new ATOM 865 N LEU A 60 0.346 -3.343 -6.798 1.00 34.22 N ATOM 866 CA LEU A 60 1.366 -4.183 -6.178 1.00 72.21 C ATOM 867 C LEU A 60 1.081 -5.661 -6.429 1.00 14.43 C ATOM 868 O LEU A 60 0.418 -6.319 -5.628 1.00 74.23 O ATOM 869 CB LEU A 60 1.432 -3.913 -4.674 1.00 52.53 C ATOM 870 CG LEU A 60 1.759 -2.477 -4.264 1.00 54.42 C ATOM 871 CD1 LEU A 60 1.481 -2.268 -2.783 1.00 54.33 C ATOM 872 CD2 LEU A 60 3.209 -2.146 -4.589 1.00 53.44 C ATOM 0 H LEU A 60 -0.568 -3.787 -6.888 1.00 34.22 H new ATOM 0 HA LEU A 60 2.328 -3.936 -6.628 1.00 72.21 H new ATOM 0 HB2 LEU A 60 0.473 -4.186 -4.234 1.00 52.53 H new ATOM 0 HB3 LEU A 60 2.182 -4.574 -4.239 1.00 52.53 H new ATOM 0 HG LEU A 60 1.118 -1.803 -4.831 1.00 54.42 H new ATOM 0 HD11 LEU A 60 1.720 -1.240 -2.510 1.00 54.33 H new ATOM 0 HD12 LEU A 60 0.428 -2.463 -2.579 1.00 54.33 H new ATOM 0 HD13 LEU A 60 2.096 -2.951 -2.197 1.00 54.33 H new ATOM 0 HD21 LEU A 60 3.424 -1.120 -4.290 1.00 53.44 H new ATOM 0 HD22 LEU A 60 3.867 -2.826 -4.049 1.00 53.44 H new ATOM 0 HD23 LEU A 60 3.375 -2.254 -5.661 1.00 53.44 H new ATOM 884 N ASP A 61 1.588 -6.174 -7.545 1.00 10.13 N ATOM 885 CA ASP A 61 1.391 -7.575 -7.899 1.00 74.05 C ATOM 886 C ASP A 61 2.132 -8.490 -6.930 1.00 65.00 C ATOM 887 O ASP A 61 3.352 -8.642 -7.012 1.00 61.03 O ATOM 888 CB ASP A 61 1.867 -7.832 -9.330 1.00 23.22 C ATOM 889 CG ASP A 61 2.259 -9.279 -9.558 1.00 12.11 C ATOM 890 OD1 ASP A 61 1.710 -10.160 -8.862 1.00 11.53 O ATOM 891 OD2 ASP A 61 3.112 -9.531 -10.433 1.00 64.41 O ATOM 0 H ASP A 61 2.138 -5.641 -8.219 1.00 10.13 H new ATOM 0 HA ASP A 61 0.325 -7.795 -7.834 1.00 74.05 H new ATOM 0 HB2 ASP A 61 1.076 -7.559 -10.028 1.00 23.22 H new ATOM 0 HB3 ASP A 61 2.720 -7.189 -9.547 1.00 23.22 H new ATOM 896 N LEU A 62 1.388 -9.097 -6.012 1.00 25.15 N ATOM 897 CA LEU A 62 1.975 -9.998 -5.026 1.00 21.34 C ATOM 898 C LEU A 62 1.703 -11.454 -5.387 1.00 52.13 C ATOM 899 O LEU A 62 0.735 -11.760 -6.084 1.00 54.22 O ATOM 900 CB LEU A 62 1.419 -9.693 -3.634 1.00 32.52 C ATOM 901 CG LEU A 62 1.184 -8.218 -3.312 1.00 2.52 C ATOM 902 CD1 LEU A 62 0.769 -8.047 -1.859 1.00 10.42 C ATOM 903 CD2 LEU A 62 2.433 -7.401 -3.612 1.00 60.00 C ATOM 0 H LEU A 62 0.378 -8.982 -5.930 1.00 25.15 H new ATOM 0 HA LEU A 62 3.054 -9.840 -5.023 1.00 21.34 H new ATOM 0 HB2 LEU A 62 0.474 -10.224 -3.518 1.00 32.52 H new ATOM 0 HB3 LEU A 62 2.107 -10.101 -2.893 1.00 32.52 H new ATOM 0 HG LEU A 62 0.374 -7.853 -3.944 1.00 2.52 H new ATOM 0 HD11 LEU A 62 0.606 -6.990 -1.649 1.00 10.42 H new ATOM 0 HD12 LEU A 62 -0.153 -8.599 -1.676 1.00 10.42 H new ATOM 0 HD13 LEU A 62 1.556 -8.429 -1.209 1.00 10.42 H new ATOM 0 HD21 LEU A 62 2.247 -6.353 -3.377 1.00 60.00 H new ATOM 0 HD22 LEU A 62 3.262 -7.768 -3.006 1.00 60.00 H new ATOM 0 HD23 LEU A 62 2.685 -7.497 -4.668 1.00 60.00 H new ATOM 915 N TRP A 63 2.560 -12.348 -4.908 1.00 44.41 N ATOM 916 CA TRP A 63 2.411 -13.773 -5.180 1.00 42.43 C ATOM 917 C TRP A 63 2.947 -14.607 -4.022 1.00 44.32 C ATOM 918 O TRP A 63 4.142 -14.580 -3.726 1.00 21.14 O ATOM 919 CB TRP A 63 3.138 -14.145 -6.473 1.00 22.54 C ATOM 920 CG TRP A 63 2.440 -13.662 -7.708 1.00 22.52 C ATOM 921 CD1 TRP A 63 2.975 -12.899 -8.706 1.00 23.14 C ATOM 922 CD2 TRP A 63 1.078 -13.908 -8.075 1.00 21.12 C ATOM 923 NE1 TRP A 63 2.027 -12.655 -9.670 1.00 42.35 N ATOM 924 CE2 TRP A 63 0.856 -13.263 -9.307 1.00 60.53 C ATOM 925 CE3 TRP A 63 0.025 -14.610 -7.482 1.00 22.40 C ATOM 926 CZ2 TRP A 63 -0.376 -13.302 -9.955 1.00 64.20 C ATOM 927 CZ3 TRP A 63 -1.197 -14.648 -8.127 1.00 2.53 C ATOM 928 CH2 TRP A 63 -1.389 -13.998 -9.353 1.00 12.52 C ATOM 0 H TRP A 63 3.366 -12.111 -4.329 1.00 44.41 H new ATOM 0 HA TRP A 63 1.348 -13.987 -5.295 1.00 42.43 H new ATOM 0 HB2 TRP A 63 4.145 -13.729 -6.448 1.00 22.54 H new ATOM 0 HB3 TRP A 63 3.242 -15.229 -6.524 1.00 22.54 H new ATOM 0 HD1 TRP A 63 3.993 -12.540 -8.734 1.00 23.14 H new ATOM 0 HE1 TRP A 63 2.173 -12.109 -10.519 1.00 42.35 H new ATOM 0 HE3 TRP A 63 0.164 -15.114 -6.537 1.00 22.40 H new ATOM 0 HZ2 TRP A 63 -0.527 -12.801 -10.900 1.00 64.20 H new ATOM 0 HZ3 TRP A 63 -2.018 -15.188 -7.678 1.00 2.53 H new ATOM 0 HH2 TRP A 63 -2.355 -14.047 -9.833 1.00 12.52 H new ATOM 939 N HIS A 64 2.056 -15.349 -3.370 1.00 55.34 N ATOM 940 CA HIS A 64 2.441 -16.191 -2.244 1.00 74.32 C ATOM 941 C HIS A 64 3.165 -15.376 -1.178 1.00 25.43 C ATOM 942 O HIS A 64 3.944 -15.915 -0.392 1.00 75.40 O ATOM 943 CB HIS A 64 3.333 -17.338 -2.720 1.00 75.11 C ATOM 944 CG HIS A 64 2.567 -18.520 -3.232 1.00 31.12 C ATOM 945 ND1 HIS A 64 2.777 -19.805 -2.781 1.00 20.33 N ATOM 946 CD2 HIS A 64 1.588 -18.604 -4.161 1.00 72.02 C ATOM 947 CE1 HIS A 64 1.961 -20.630 -3.412 1.00 74.31 C ATOM 948 NE2 HIS A 64 1.228 -19.926 -4.255 1.00 21.33 N ATOM 0 H HIS A 64 1.063 -15.384 -3.603 1.00 55.34 H new ATOM 0 HA HIS A 64 1.533 -16.605 -1.804 1.00 74.32 H new ATOM 0 HB2 HIS A 64 3.991 -16.973 -3.508 1.00 75.11 H new ATOM 0 HB3 HIS A 64 3.970 -17.658 -1.896 1.00 75.11 H new ATOM 0 HD2 HIS A 64 1.167 -17.784 -4.724 1.00 72.02 H new ATOM 0 HE1 HIS A 64 1.903 -21.698 -3.264 1.00 74.31 H new ATOM 0 HE2 HIS A 64 0.511 -20.303 -4.875 1.00 21.33 H new ATOM 957 N GLY A 65 2.906 -14.072 -1.158 1.00 51.24 N ATOM 958 CA GLY A 65 3.543 -13.204 -0.186 1.00 0.33 C ATOM 959 C GLY A 65 4.710 -12.434 -0.771 1.00 15.23 C ATOM 960 O GLY A 65 5.097 -11.389 -0.250 1.00 24.32 O ATOM 0 H GLY A 65 2.266 -13.602 -1.798 1.00 51.24 H new ATOM 0 HA2 GLY A 65 2.808 -12.501 0.205 1.00 0.33 H new ATOM 0 HA3 GLY A 65 3.892 -13.802 0.656 1.00 0.33 H new ATOM 964 N ALA A 66 5.273 -12.952 -1.858 1.00 22.23 N ATOM 965 CA ALA A 66 6.402 -12.307 -2.515 1.00 0.33 C ATOM 966 C ALA A 66 5.935 -11.408 -3.654 1.00 44.20 C ATOM 967 O ALA A 66 5.126 -11.815 -4.488 1.00 65.34 O ATOM 968 CB ALA A 66 7.379 -13.352 -3.033 1.00 2.15 C ATOM 0 H ALA A 66 4.965 -13.817 -2.302 1.00 22.23 H new ATOM 0 HA ALA A 66 6.910 -11.683 -1.779 1.00 0.33 H new ATOM 0 HB1 ALA A 66 8.217 -12.856 -3.522 1.00 2.15 H new ATOM 0 HB2 ALA A 66 7.747 -13.951 -2.200 1.00 2.15 H new ATOM 0 HB3 ALA A 66 6.873 -13.999 -3.749 1.00 2.15 H new ATOM 974 N CYS A 67 6.448 -10.182 -3.683 1.00 14.32 N ATOM 975 CA CYS A 67 6.081 -9.224 -4.718 1.00 51.35 C ATOM 976 C CYS A 67 6.566 -9.691 -6.088 1.00 70.43 C ATOM 977 O CYS A 67 7.159 -10.762 -6.216 1.00 31.45 O ATOM 978 CB CYS A 67 6.669 -7.848 -4.400 1.00 53.52 C ATOM 979 SG CYS A 67 5.659 -6.453 -4.995 1.00 42.14 S ATOM 0 H CYS A 67 7.119 -9.829 -3.001 1.00 14.32 H new ATOM 0 HA CYS A 67 4.994 -9.151 -4.742 1.00 51.35 H new ATOM 0 HB2 CYS A 67 6.794 -7.758 -3.321 1.00 53.52 H new ATOM 0 HB3 CYS A 67 7.663 -7.778 -4.842 1.00 53.52 H new ATOM 984 N ARG A 68 6.309 -8.880 -7.109 1.00 55.41 N ATOM 985 CA ARG A 68 6.717 -9.210 -8.469 1.00 4.25 C ATOM 986 C ARG A 68 6.654 -7.980 -9.370 1.00 43.10 C ATOM 987 O ARG A 68 7.625 -7.644 -10.047 1.00 41.22 O ATOM 988 CB ARG A 68 5.828 -10.317 -9.038 1.00 11.15 C ATOM 989 CG ARG A 68 6.255 -10.796 -10.415 1.00 42.33 C ATOM 990 CD ARG A 68 7.357 -11.840 -10.326 1.00 14.02 C ATOM 991 NE ARG A 68 7.014 -13.060 -11.051 1.00 4.12 N ATOM 992 CZ ARG A 68 7.045 -13.161 -12.374 1.00 64.35 C ATOM 993 NH1 ARG A 68 7.401 -12.120 -13.114 1.00 73.42 N ATOM 994 NH2 ARG A 68 6.720 -14.306 -12.962 1.00 20.01 N ATOM 0 H ARG A 68 5.820 -7.989 -7.020 1.00 55.41 H new ATOM 0 HA ARG A 68 7.748 -9.563 -8.435 1.00 4.25 H new ATOM 0 HB2 ARG A 68 5.832 -11.163 -8.351 1.00 11.15 H new ATOM 0 HB3 ARG A 68 4.801 -9.955 -9.091 1.00 11.15 H new ATOM 0 HG2 ARG A 68 5.396 -11.216 -10.938 1.00 42.33 H new ATOM 0 HG3 ARG A 68 6.603 -9.948 -11.005 1.00 42.33 H new ATOM 0 HD2 ARG A 68 8.282 -11.427 -10.729 1.00 14.02 H new ATOM 0 HD3 ARG A 68 7.545 -12.081 -9.280 1.00 14.02 H new ATOM 0 HE ARG A 68 6.735 -13.879 -10.511 1.00 4.12 H new ATOM 0 HH11 ARG A 68 7.652 -11.238 -12.667 1.00 73.42 H new ATOM 0 HH12 ARG A 68 7.424 -12.201 -14.131 1.00 73.42 H new ATOM 0 HH21 ARG A 68 6.446 -15.110 -12.397 1.00 20.01 H new ATOM 0 HH22 ARG A 68 6.744 -14.382 -13.979 1.00 20.01 H new ATOM 1008 N GLY A 69 5.505 -7.312 -9.371 1.00 2.02 N ATOM 1009 CA GLY A 69 5.337 -6.127 -10.192 1.00 61.43 C ATOM 1010 C GLY A 69 4.581 -5.026 -9.474 1.00 30.32 C ATOM 1011 O GLY A 69 3.881 -5.282 -8.495 1.00 65.32 O ATOM 0 H GLY A 69 4.688 -7.570 -8.818 1.00 2.02 H new ATOM 0 HA2 GLY A 69 6.317 -5.755 -10.492 1.00 61.43 H new ATOM 0 HA3 GLY A 69 4.804 -6.394 -11.105 1.00 61.43 H new ATOM 1015 N ALA A 70 4.724 -3.797 -9.960 1.00 24.51 N ATOM 1016 CA ALA A 70 4.050 -2.655 -9.359 1.00 35.23 C ATOM 1017 C ALA A 70 4.132 -1.430 -10.263 1.00 54.23 C ATOM 1018 O ALA A 70 5.200 -1.091 -10.772 1.00 53.44 O ATOM 1019 CB ALA A 70 4.650 -2.346 -7.995 1.00 32.31 C ATOM 0 H ALA A 70 5.301 -3.568 -10.769 1.00 24.51 H new ATOM 0 HA ALA A 70 2.998 -2.911 -9.233 1.00 35.23 H new ATOM 0 HB1 ALA A 70 4.137 -1.490 -7.557 1.00 32.31 H new ATOM 0 HB2 ALA A 70 4.534 -3.211 -7.342 1.00 32.31 H new ATOM 0 HB3 ALA A 70 5.709 -2.115 -8.107 1.00 32.31 H new ATOM 1025 N LYS A 71 2.995 -0.771 -10.462 1.00 11.22 N ATOM 1026 CA LYS A 71 2.936 0.417 -11.306 1.00 62.33 C ATOM 1027 C LYS A 71 1.983 1.454 -10.720 1.00 42.15 C ATOM 1028 O LYS A 71 0.936 1.109 -10.174 1.00 15.02 O ATOM 1029 CB LYS A 71 2.492 0.041 -12.721 1.00 75.05 C ATOM 1030 CG LYS A 71 1.303 -0.903 -12.754 1.00 52.34 C ATOM 1031 CD LYS A 71 0.791 -1.106 -14.171 1.00 14.23 C ATOM 1032 CE LYS A 71 -0.691 -1.450 -14.184 1.00 11.24 C ATOM 1033 NZ LYS A 71 -1.529 -0.279 -14.569 1.00 22.24 N ATOM 0 H LYS A 71 2.101 -1.040 -10.050 1.00 11.22 H new ATOM 0 HA LYS A 71 3.935 0.852 -11.349 1.00 62.33 H new ATOM 0 HB2 LYS A 71 2.239 0.950 -13.267 1.00 75.05 H new ATOM 0 HB3 LYS A 71 3.328 -0.423 -13.244 1.00 75.05 H new ATOM 0 HG2 LYS A 71 1.589 -1.865 -12.328 1.00 52.34 H new ATOM 0 HG3 LYS A 71 0.503 -0.504 -12.131 1.00 52.34 H new ATOM 0 HD2 LYS A 71 0.961 -0.200 -14.754 1.00 14.23 H new ATOM 0 HD3 LYS A 71 1.355 -1.905 -14.652 1.00 14.23 H new ATOM 0 HE2 LYS A 71 -0.868 -2.268 -14.882 1.00 11.24 H new ATOM 0 HE3 LYS A 71 -0.991 -1.802 -13.197 1.00 11.24 H new ATOM 0 HZ1 LYS A 71 -2.532 -0.554 -14.566 1.00 22.24 H new ATOM 0 HZ2 LYS A 71 -1.380 0.493 -13.889 1.00 22.24 H new ATOM 0 HZ3 LYS A 71 -1.261 0.042 -15.521 1.00 22.24 H new ATOM 1047 N ALA A 72 2.352 2.725 -10.841 1.00 1.25 N ATOM 1048 CA ALA A 72 1.528 3.811 -10.327 1.00 5.43 C ATOM 1049 C ALA A 72 0.650 4.401 -11.425 1.00 51.10 C ATOM 1050 O ALA A 72 1.122 4.685 -12.525 1.00 40.24 O ATOM 1051 CB ALA A 72 2.404 4.893 -9.711 1.00 30.54 C ATOM 0 H ALA A 72 3.216 3.027 -11.291 1.00 1.25 H new ATOM 0 HA ALA A 72 0.875 3.404 -9.555 1.00 5.43 H new ATOM 0 HB1 ALA A 72 1.775 5.698 -9.331 1.00 30.54 H new ATOM 0 HB2 ALA A 72 2.984 4.469 -8.892 1.00 30.54 H new ATOM 0 HB3 ALA A 72 3.081 5.288 -10.468 1.00 30.54 H new ATOM 1057 N VAL A 73 -0.631 4.582 -11.119 1.00 3.54 N ATOM 1058 CA VAL A 73 -1.576 5.140 -12.080 1.00 24.45 C ATOM 1059 C VAL A 73 -2.541 6.106 -11.405 1.00 30.02 C ATOM 1060 O VAL A 73 -3.212 5.752 -10.435 1.00 41.13 O ATOM 1061 CB VAL A 73 -2.382 4.030 -12.780 1.00 22.33 C ATOM 1062 CG1 VAL A 73 -2.711 2.911 -11.804 1.00 23.54 C ATOM 1063 CG2 VAL A 73 -3.650 4.602 -13.395 1.00 75.04 C ATOM 0 H VAL A 73 -1.038 4.350 -10.213 1.00 3.54 H new ATOM 0 HA VAL A 73 -0.991 5.679 -12.825 1.00 24.45 H new ATOM 0 HB VAL A 73 -1.772 3.612 -13.581 1.00 22.33 H new ATOM 0 HG11 VAL A 73 -3.281 2.136 -12.317 1.00 23.54 H new ATOM 0 HG12 VAL A 73 -1.787 2.484 -11.415 1.00 23.54 H new ATOM 0 HG13 VAL A 73 -3.302 3.310 -10.979 1.00 23.54 H new ATOM 0 HG21 VAL A 73 -4.208 3.805 -13.886 1.00 75.04 H new ATOM 0 HG22 VAL A 73 -4.265 5.047 -12.613 1.00 75.04 H new ATOM 0 HG23 VAL A 73 -3.387 5.365 -14.128 1.00 75.04 H new ATOM 1073 N GLU A 74 -2.607 7.328 -11.923 1.00 51.41 N ATOM 1074 CA GLU A 74 -3.491 8.347 -11.370 1.00 34.22 C ATOM 1075 C GLU A 74 -4.787 8.436 -12.170 1.00 75.42 C ATOM 1076 O GLU A 74 -4.770 8.704 -13.372 1.00 31.55 O ATOM 1077 CB GLU A 74 -2.793 9.707 -11.357 1.00 3.45 C ATOM 1078 CG GLU A 74 -2.620 10.317 -12.737 1.00 64.42 C ATOM 1079 CD GLU A 74 -1.292 11.031 -12.898 1.00 71.31 C ATOM 1080 OE1 GLU A 74 -0.306 10.597 -12.265 1.00 44.31 O ATOM 1081 OE2 GLU A 74 -1.238 12.022 -13.655 1.00 31.10 O ATOM 0 H GLU A 74 -2.058 7.637 -12.726 1.00 51.41 H new ATOM 0 HA GLU A 74 -3.735 8.062 -10.347 1.00 34.22 H new ATOM 0 HB2 GLU A 74 -3.367 10.394 -10.735 1.00 3.45 H new ATOM 0 HB3 GLU A 74 -1.813 9.598 -10.892 1.00 3.45 H new ATOM 0 HG2 GLU A 74 -2.700 9.532 -13.489 1.00 64.42 H new ATOM 0 HG3 GLU A 74 -3.431 11.021 -12.923 1.00 64.42 H new ATOM 1120 N GLU A 78 -6.420 -0.959 -11.855 1.00 32.50 N ATOM 1121 CA GLU A 78 -7.050 -2.274 -11.886 1.00 14.11 C ATOM 1122 C GLU A 78 -6.284 -3.265 -11.013 1.00 72.04 C ATOM 1123 O GLU A 78 -5.054 -3.265 -10.989 1.00 61.02 O ATOM 1124 CB GLU A 78 -7.125 -2.795 -13.323 1.00 53.10 C ATOM 1125 CG GLU A 78 -8.516 -2.712 -13.929 1.00 33.03 C ATOM 1126 CD GLU A 78 -8.882 -3.951 -14.722 1.00 64.42 C ATOM 1127 OE1 GLU A 78 -9.242 -4.970 -14.097 1.00 30.35 O ATOM 1128 OE2 GLU A 78 -8.807 -3.903 -15.967 1.00 43.24 O ATOM 0 HA GLU A 78 -8.061 -2.174 -11.491 1.00 14.11 H new ATOM 0 HB2 GLU A 78 -6.433 -2.226 -13.944 1.00 53.10 H new ATOM 0 HB3 GLU A 78 -6.791 -3.832 -13.342 1.00 53.10 H new ATOM 0 HG2 GLU A 78 -9.247 -2.566 -13.133 1.00 33.03 H new ATOM 0 HG3 GLU A 78 -8.573 -1.839 -14.579 1.00 33.03 H new ATOM 1135 N ALA A 79 -7.022 -4.107 -10.298 1.00 13.21 N ATOM 1136 CA ALA A 79 -6.414 -5.104 -9.426 1.00 74.32 C ATOM 1137 C ALA A 79 -7.475 -5.869 -8.642 1.00 75.23 C ATOM 1138 O ALA A 79 -8.569 -5.358 -8.400 1.00 33.15 O ATOM 1139 CB ALA A 79 -5.429 -4.441 -8.475 1.00 31.21 C ATOM 0 H ALA A 79 -8.042 -4.119 -10.305 1.00 13.21 H new ATOM 0 HA ALA A 79 -5.877 -5.818 -10.050 1.00 74.32 H new ATOM 0 HB1 ALA A 79 -4.982 -5.197 -7.829 1.00 31.21 H new ATOM 0 HB2 ALA A 79 -4.646 -3.945 -9.049 1.00 31.21 H new ATOM 0 HB3 ALA A 79 -5.952 -3.705 -7.864 1.00 31.21 H new ATOM 1145 N ASP A 80 -7.146 -7.094 -8.251 1.00 73.53 N ATOM 1146 CA ASP A 80 -8.072 -7.930 -7.495 1.00 11.24 C ATOM 1147 C ASP A 80 -8.435 -7.274 -6.166 1.00 74.23 C ATOM 1148 O ASP A 80 -9.419 -7.647 -5.526 1.00 21.11 O ATOM 1149 CB ASP A 80 -7.460 -9.310 -7.246 1.00 75.34 C ATOM 1150 CG ASP A 80 -8.435 -10.435 -7.534 1.00 21.24 C ATOM 1151 OD1 ASP A 80 -8.580 -10.808 -8.717 1.00 12.53 O ATOM 1152 OD2 ASP A 80 -9.050 -10.946 -6.575 1.00 14.24 O ATOM 0 H ASP A 80 -6.245 -7.531 -8.445 1.00 73.53 H new ATOM 0 HA ASP A 80 -8.982 -8.045 -8.084 1.00 11.24 H new ATOM 0 HB2 ASP A 80 -6.575 -9.430 -7.871 1.00 75.34 H new ATOM 0 HB3 ASP A 80 -7.129 -9.376 -6.210 1.00 75.34 H new ATOM 1157 N PHE A 81 -7.635 -6.295 -5.758 1.00 35.34 N ATOM 1158 CA PHE A 81 -7.871 -5.588 -4.504 1.00 51.11 C ATOM 1159 C PHE A 81 -7.522 -4.109 -4.641 1.00 3.15 C ATOM 1160 O PHE A 81 -6.357 -3.747 -4.809 1.00 34.21 O ATOM 1161 CB PHE A 81 -7.049 -6.216 -3.377 1.00 62.53 C ATOM 1162 CG PHE A 81 -7.418 -7.644 -3.091 1.00 2.45 C ATOM 1163 CD1 PHE A 81 -8.547 -7.945 -2.345 1.00 41.12 C ATOM 1164 CD2 PHE A 81 -6.635 -8.684 -3.565 1.00 45.25 C ATOM 1165 CE1 PHE A 81 -8.889 -9.258 -2.079 1.00 50.13 C ATOM 1166 CE2 PHE A 81 -6.974 -9.998 -3.303 1.00 42.41 C ATOM 1167 CZ PHE A 81 -8.101 -10.286 -2.558 1.00 43.51 C ATOM 0 H PHE A 81 -6.818 -5.973 -6.277 1.00 35.34 H new ATOM 0 HA PHE A 81 -8.930 -5.673 -4.261 1.00 51.11 H new ATOM 0 HB2 PHE A 81 -5.992 -6.167 -3.638 1.00 62.53 H new ATOM 0 HB3 PHE A 81 -7.180 -5.626 -2.470 1.00 62.53 H new ATOM 0 HD1 PHE A 81 -9.166 -7.145 -1.967 1.00 41.12 H new ATOM 0 HD2 PHE A 81 -5.751 -8.466 -4.145 1.00 45.25 H new ATOM 0 HE1 PHE A 81 -9.772 -9.479 -1.497 1.00 50.13 H new ATOM 0 HE2 PHE A 81 -6.357 -10.800 -3.681 1.00 42.41 H new ATOM 0 HZ PHE A 81 -8.365 -11.312 -2.351 1.00 43.51 H new ATOM 1177 N VAL A 82 -8.540 -3.257 -4.568 1.00 20.51 N ATOM 1178 CA VAL A 82 -8.342 -1.817 -4.682 1.00 51.03 C ATOM 1179 C VAL A 82 -8.983 -1.080 -3.511 1.00 74.14 C ATOM 1180 O VAL A 82 -10.135 -1.336 -3.160 1.00 32.42 O ATOM 1181 CB VAL A 82 -8.925 -1.273 -5.999 1.00 52.12 C ATOM 1182 CG1 VAL A 82 -8.710 0.229 -6.098 1.00 50.35 C ATOM 1183 CG2 VAL A 82 -8.308 -1.989 -7.191 1.00 62.13 C ATOM 0 H VAL A 82 -9.510 -3.539 -4.430 1.00 20.51 H new ATOM 0 HA VAL A 82 -7.266 -1.643 -4.671 1.00 51.03 H new ATOM 0 HB VAL A 82 -9.998 -1.463 -6.007 1.00 52.12 H new ATOM 0 HG11 VAL A 82 -9.129 0.595 -7.035 1.00 50.35 H new ATOM 0 HG12 VAL A 82 -9.205 0.723 -5.262 1.00 50.35 H new ATOM 0 HG13 VAL A 82 -7.642 0.446 -6.068 1.00 50.35 H new ATOM 0 HG21 VAL A 82 -8.732 -1.592 -8.113 1.00 62.13 H new ATOM 0 HG22 VAL A 82 -7.229 -1.833 -7.191 1.00 62.13 H new ATOM 0 HG23 VAL A 82 -8.520 -3.056 -7.124 1.00 62.13 H new ATOM 1193 N ILE A 83 -8.232 -0.163 -2.913 1.00 53.04 N ATOM 1194 CA ILE A 83 -8.728 0.614 -1.784 1.00 65.23 C ATOM 1195 C ILE A 83 -8.513 2.106 -2.006 1.00 4.52 C ATOM 1196 O ILE A 83 -7.442 2.531 -2.441 1.00 50.24 O ATOM 1197 CB ILE A 83 -8.042 0.197 -0.469 1.00 63.24 C ATOM 1198 CG1 ILE A 83 -7.958 -1.328 -0.374 1.00 63.03 C ATOM 1199 CG2 ILE A 83 -8.792 0.768 0.724 1.00 74.10 C ATOM 1200 CD1 ILE A 83 -7.113 -1.815 0.782 1.00 63.42 C ATOM 0 H ILE A 83 -7.277 0.061 -3.191 1.00 53.04 H new ATOM 0 HA ILE A 83 -9.796 0.412 -1.707 1.00 65.23 H new ATOM 0 HB ILE A 83 -7.029 0.599 -0.461 1.00 63.24 H new ATOM 0 HG12 ILE A 83 -8.965 -1.734 -0.274 1.00 63.03 H new ATOM 0 HG13 ILE A 83 -7.547 -1.720 -1.304 1.00 63.03 H new ATOM 0 HG21 ILE A 83 -8.295 0.464 1.645 1.00 74.10 H new ATOM 0 HG22 ILE A 83 -8.804 1.856 0.660 1.00 74.10 H new ATOM 0 HG23 ILE A 83 -9.816 0.393 0.724 1.00 74.10 H new ATOM 0 HD11 ILE A 83 -7.098 -2.905 0.788 1.00 63.42 H new ATOM 0 HD12 ILE A 83 -6.096 -1.439 0.673 1.00 63.42 H new ATOM 0 HD13 ILE A 83 -7.535 -1.453 1.719 1.00 63.42 H new ATOM 1212 N GLU A 84 -9.535 2.899 -1.701 1.00 32.14 N ATOM 1213 CA GLU A 84 -9.456 4.346 -1.866 1.00 71.21 C ATOM 1214 C GLU A 84 -9.756 5.061 -0.552 1.00 74.34 C ATOM 1215 O GLU A 84 -10.719 4.731 0.141 1.00 63.43 O ATOM 1216 CB GLU A 84 -10.433 4.812 -2.948 1.00 22.12 C ATOM 1217 CG GLU A 84 -10.596 6.321 -3.011 1.00 62.44 C ATOM 1218 CD GLU A 84 -11.596 6.756 -4.065 1.00 64.51 C ATOM 1219 OE1 GLU A 84 -12.796 6.861 -3.738 1.00 24.20 O ATOM 1220 OE2 GLU A 84 -11.177 6.991 -5.218 1.00 0.34 O ATOM 0 H GLU A 84 -10.428 2.564 -1.338 1.00 32.14 H new ATOM 0 HA GLU A 84 -8.440 4.596 -2.172 1.00 71.21 H new ATOM 0 HB2 GLU A 84 -10.088 4.451 -3.917 1.00 22.12 H new ATOM 0 HB3 GLU A 84 -11.407 4.357 -2.767 1.00 22.12 H new ATOM 0 HG2 GLU A 84 -10.917 6.689 -2.037 1.00 62.44 H new ATOM 0 HG3 GLU A 84 -9.629 6.779 -3.222 1.00 62.44 H new ATOM 1227 N ALA A 85 -8.924 6.041 -0.216 1.00 54.42 N ATOM 1228 CA ALA A 85 -9.101 6.804 1.014 1.00 53.02 C ATOM 1229 C ALA A 85 -8.330 8.118 0.959 1.00 4.12 C ATOM 1230 O ALA A 85 -7.432 8.289 0.134 1.00 11.04 O ATOM 1231 CB ALA A 85 -8.660 5.980 2.214 1.00 41.24 C ATOM 0 H ALA A 85 -8.121 6.325 -0.777 1.00 54.42 H new ATOM 0 HA ALA A 85 -10.160 7.039 1.119 1.00 53.02 H new ATOM 0 HB1 ALA A 85 -8.798 6.562 3.125 1.00 41.24 H new ATOM 0 HB2 ALA A 85 -9.258 5.070 2.270 1.00 41.24 H new ATOM 0 HB3 ALA A 85 -7.608 5.716 2.107 1.00 41.24 H new ATOM 1237 N ASP A 86 -8.686 9.045 1.843 1.00 22.33 N ATOM 1238 CA ASP A 86 -8.027 10.344 1.896 1.00 5.30 C ATOM 1239 C ASP A 86 -6.518 10.182 2.060 1.00 1.22 C ATOM 1240 O ASP A 86 -6.050 9.230 2.686 1.00 71.13 O ATOM 1241 CB ASP A 86 -8.590 11.180 3.046 1.00 52.25 C ATOM 1242 CG ASP A 86 -9.698 12.113 2.595 1.00 63.13 C ATOM 1243 OD1 ASP A 86 -9.750 12.429 1.388 1.00 52.15 O ATOM 1244 OD2 ASP A 86 -10.510 12.526 3.448 1.00 72.13 O ATOM 0 H ASP A 86 -9.427 8.920 2.532 1.00 22.33 H new ATOM 0 HA ASP A 86 -8.219 10.859 0.955 1.00 5.30 H new ATOM 0 HB2 ASP A 86 -8.971 10.516 3.822 1.00 52.25 H new ATOM 0 HB3 ASP A 86 -7.786 11.765 3.494 1.00 52.25 H new ATOM 1249 N LEU A 87 -5.763 11.117 1.495 1.00 2.15 N ATOM 1250 CA LEU A 87 -4.307 11.078 1.580 1.00 51.25 C ATOM 1251 C LEU A 87 -3.842 11.146 3.031 1.00 70.11 C ATOM 1252 O LEU A 87 -2.914 10.443 3.429 1.00 1.31 O ATOM 1253 CB LEU A 87 -3.699 12.234 0.783 1.00 13.53 C ATOM 1254 CG LEU A 87 -2.202 12.471 0.979 1.00 11.01 C ATOM 1255 CD1 LEU A 87 -1.406 11.259 0.523 1.00 5.11 C ATOM 1256 CD2 LEU A 87 -1.756 13.718 0.230 1.00 3.41 C ATOM 0 H LEU A 87 -6.134 11.911 0.973 1.00 2.15 H new ATOM 0 HA LEU A 87 -3.969 10.133 1.155 1.00 51.25 H new ATOM 0 HB2 LEU A 87 -3.882 12.054 -0.276 1.00 13.53 H new ATOM 0 HB3 LEU A 87 -4.229 13.149 1.047 1.00 13.53 H new ATOM 0 HG LEU A 87 -2.014 12.624 2.042 1.00 11.01 H new ATOM 0 HD11 LEU A 87 -0.342 11.446 0.670 1.00 5.11 H new ATOM 0 HD12 LEU A 87 -1.705 10.387 1.105 1.00 5.11 H new ATOM 0 HD13 LEU A 87 -1.599 11.073 -0.534 1.00 5.11 H new ATOM 0 HD21 LEU A 87 -0.687 13.871 0.381 1.00 3.41 H new ATOM 0 HD22 LEU A 87 -1.958 13.595 -0.834 1.00 3.41 H new ATOM 0 HD23 LEU A 87 -2.303 14.583 0.605 1.00 3.41 H new ATOM 1268 N ALA A 88 -4.496 11.996 3.816 1.00 21.24 N ATOM 1269 CA ALA A 88 -4.153 12.152 5.224 1.00 21.23 C ATOM 1270 C ALA A 88 -4.221 10.816 5.957 1.00 2.11 C ATOM 1271 O ALA A 88 -3.317 10.466 6.718 1.00 1.21 O ATOM 1272 CB ALA A 88 -5.077 13.165 5.884 1.00 74.13 C ATOM 0 H ALA A 88 -5.266 12.587 3.501 1.00 21.24 H new ATOM 0 HA ALA A 88 -3.128 12.518 5.284 1.00 21.23 H new ATOM 0 HB1 ALA A 88 -4.809 13.271 6.935 1.00 74.13 H new ATOM 0 HB2 ALA A 88 -4.976 14.129 5.385 1.00 74.13 H new ATOM 0 HB3 ALA A 88 -6.109 12.822 5.805 1.00 74.13 H new ATOM 1278 N THR A 89 -5.298 10.072 5.725 1.00 62.01 N ATOM 1279 CA THR A 89 -5.483 8.775 6.364 1.00 15.32 C ATOM 1280 C THR A 89 -4.426 7.779 5.903 1.00 34.35 C ATOM 1281 O THR A 89 -3.963 6.946 6.684 1.00 54.44 O ATOM 1282 CB THR A 89 -6.881 8.198 6.068 1.00 4.34 C ATOM 1283 OG1 THR A 89 -7.889 9.034 6.648 1.00 52.24 O ATOM 1284 CG2 THR A 89 -7.010 6.785 6.616 1.00 1.11 C ATOM 0 H THR A 89 -6.056 10.346 5.099 1.00 62.01 H new ATOM 0 HA THR A 89 -5.383 8.934 7.438 1.00 15.32 H new ATOM 0 HB THR A 89 -7.015 8.165 4.987 1.00 4.34 H new ATOM 0 HG1 THR A 89 -8.774 8.661 6.454 1.00 52.24 H new ATOM 0 HG21 THR A 89 -8.005 6.399 6.395 1.00 1.11 H new ATOM 0 HG22 THR A 89 -6.260 6.145 6.151 1.00 1.11 H new ATOM 0 HG23 THR A 89 -6.857 6.798 7.695 1.00 1.11 H new ATOM 1292 N TRP A 90 -4.049 7.868 4.633 1.00 10.51 N ATOM 1293 CA TRP A 90 -3.045 6.973 4.069 1.00 12.35 C ATOM 1294 C TRP A 90 -1.688 7.194 4.727 1.00 44.13 C ATOM 1295 O TRP A 90 -1.072 6.255 5.228 1.00 24.22 O ATOM 1296 CB TRP A 90 -2.934 7.185 2.559 1.00 52.15 C ATOM 1297 CG TRP A 90 -3.942 6.402 1.773 1.00 75.40 C ATOM 1298 CD1 TRP A 90 -4.853 6.897 0.883 1.00 22.12 C ATOM 1299 CD2 TRP A 90 -4.144 4.985 1.810 1.00 34.13 C ATOM 1300 NE1 TRP A 90 -5.608 5.873 0.364 1.00 5.34 N ATOM 1301 CE2 TRP A 90 -5.193 4.690 0.916 1.00 42.12 C ATOM 1302 CE3 TRP A 90 -3.541 3.936 2.509 1.00 51.14 C ATOM 1303 CZ2 TRP A 90 -5.648 3.391 0.706 1.00 73.10 C ATOM 1304 CZ3 TRP A 90 -3.995 2.648 2.299 1.00 3.34 C ATOM 1305 CH2 TRP A 90 -5.039 2.384 1.403 1.00 0.50 C ATOM 0 H TRP A 90 -4.423 8.551 3.974 1.00 10.51 H new ATOM 0 HA TRP A 90 -3.359 5.947 4.263 1.00 12.35 H new ATOM 0 HB2 TRP A 90 -3.056 8.245 2.338 1.00 52.15 H new ATOM 0 HB3 TRP A 90 -1.932 6.905 2.233 1.00 52.15 H new ATOM 0 HD1 TRP A 90 -4.963 7.940 0.625 1.00 22.12 H new ATOM 0 HE1 TRP A 90 -6.356 5.977 -0.321 1.00 5.34 H new ATOM 0 HE3 TRP A 90 -2.735 4.129 3.201 1.00 51.14 H new ATOM 0 HZ2 TRP A 90 -6.454 3.186 0.017 1.00 73.10 H new ATOM 0 HZ3 TRP A 90 -3.537 1.830 2.835 1.00 3.34 H new ATOM 0 HH2 TRP A 90 -5.369 1.366 1.260 1.00 0.50 H new ATOM 1316 N GLN A 91 -1.229 8.441 4.722 1.00 4.41 N ATOM 1317 CA GLN A 91 0.057 8.785 5.318 1.00 65.10 C ATOM 1318 C GLN A 91 0.223 8.113 6.678 1.00 53.13 C ATOM 1319 O GLN A 91 1.228 7.452 6.935 1.00 72.14 O ATOM 1320 CB GLN A 91 0.187 10.301 5.465 1.00 15.34 C ATOM 1321 CG GLN A 91 0.252 11.038 4.138 1.00 51.30 C ATOM 1322 CD GLN A 91 1.234 12.192 4.158 1.00 2.32 C ATOM 1323 OE1 GLN A 91 2.158 12.222 4.971 1.00 5.12 O ATOM 1324 NE2 GLN A 91 1.040 13.153 3.262 1.00 74.21 N ATOM 0 H GLN A 91 -1.728 9.230 4.312 1.00 4.41 H new ATOM 0 HA GLN A 91 0.844 8.424 4.656 1.00 65.10 H new ATOM 0 HB2 GLN A 91 -0.661 10.676 6.038 1.00 15.34 H new ATOM 0 HB3 GLN A 91 1.085 10.526 6.040 1.00 15.34 H new ATOM 0 HG2 GLN A 91 0.536 10.338 3.352 1.00 51.30 H new ATOM 0 HG3 GLN A 91 -0.740 11.414 3.887 1.00 51.30 H new ATOM 0 HE21 GLN A 91 0.262 13.089 2.606 1.00 74.21 H new ATOM 0 HE22 GLN A 91 1.669 13.955 3.230 1.00 74.21 H new ATOM 1333 N GLU A 92 -0.770 8.290 7.544 1.00 12.14 N ATOM 1334 CA GLU A 92 -0.733 7.702 8.878 1.00 0.10 C ATOM 1335 C GLU A 92 -0.182 6.280 8.830 1.00 23.42 C ATOM 1336 O GLU A 92 0.893 5.999 9.361 1.00 13.31 O ATOM 1337 CB GLU A 92 -2.132 7.698 9.497 1.00 11.22 C ATOM 1338 CG GLU A 92 -2.868 9.019 9.345 1.00 72.44 C ATOM 1339 CD GLU A 92 -3.269 9.620 10.678 1.00 74.32 C ATOM 1340 OE1 GLU A 92 -3.402 8.858 11.658 1.00 65.25 O ATOM 1341 OE2 GLU A 92 -3.451 10.854 10.741 1.00 14.34 O ATOM 0 H GLU A 92 -1.609 8.835 7.346 1.00 12.14 H new ATOM 0 HA GLU A 92 -0.072 8.309 9.497 1.00 0.10 H new ATOM 0 HB2 GLU A 92 -2.723 6.907 9.034 1.00 11.22 H new ATOM 0 HB3 GLU A 92 -2.051 7.457 10.557 1.00 11.22 H new ATOM 0 HG2 GLU A 92 -2.233 9.725 8.809 1.00 72.44 H new ATOM 0 HG3 GLU A 92 -3.759 8.866 8.737 1.00 72.44 H new ATOM 1348 N VAL A 93 -0.927 5.384 8.189 1.00 14.22 N ATOM 1349 CA VAL A 93 -0.515 3.990 8.071 1.00 4.34 C ATOM 1350 C VAL A 93 0.955 3.884 7.679 1.00 31.00 C ATOM 1351 O VAL A 93 1.753 3.264 8.383 1.00 2.01 O ATOM 1352 CB VAL A 93 -1.368 3.239 7.033 1.00 20.12 C ATOM 1353 CG1 VAL A 93 -0.941 1.781 6.945 1.00 40.41 C ATOM 1354 CG2 VAL A 93 -2.846 3.350 7.377 1.00 63.31 C ATOM 0 H VAL A 93 -1.819 5.599 7.744 1.00 14.22 H new ATOM 0 HA VAL A 93 -0.661 3.532 9.049 1.00 4.34 H new ATOM 0 HB VAL A 93 -1.210 3.699 6.057 1.00 20.12 H new ATOM 0 HG11 VAL A 93 -1.555 1.266 6.206 1.00 40.41 H new ATOM 0 HG12 VAL A 93 0.106 1.726 6.648 1.00 40.41 H new ATOM 0 HG13 VAL A 93 -1.068 1.305 7.917 1.00 40.41 H new ATOM 0 HG21 VAL A 93 -3.434 2.813 6.633 1.00 63.31 H new ATOM 0 HG22 VAL A 93 -3.024 2.917 8.361 1.00 63.31 H new ATOM 0 HG23 VAL A 93 -3.140 4.400 7.384 1.00 63.31 H new ATOM 1364 N LEU A 94 1.306 4.492 6.551 1.00 34.11 N ATOM 1365 CA LEU A 94 2.680 4.466 6.064 1.00 63.35 C ATOM 1366 C LEU A 94 3.619 5.156 7.047 1.00 5.21 C ATOM 1367 O LEU A 94 4.828 4.925 7.031 1.00 30.15 O ATOM 1368 CB LEU A 94 2.769 5.143 4.695 1.00 61.10 C ATOM 1369 CG LEU A 94 3.328 4.286 3.558 1.00 15.40 C ATOM 1370 CD1 LEU A 94 2.669 4.657 2.238 1.00 10.03 C ATOM 1371 CD2 LEU A 94 4.839 4.444 3.464 1.00 33.44 C ATOM 0 H LEU A 94 0.658 5.009 5.957 1.00 34.11 H new ATOM 0 HA LEU A 94 2.986 3.424 5.968 1.00 63.35 H new ATOM 0 HB2 LEU A 94 1.771 5.480 4.413 1.00 61.10 H new ATOM 0 HB3 LEU A 94 3.391 6.033 4.792 1.00 61.10 H new ATOM 0 HG LEU A 94 3.105 3.241 3.772 1.00 15.40 H new ATOM 0 HD11 LEU A 94 3.079 4.038 1.440 1.00 10.03 H new ATOM 0 HD12 LEU A 94 1.594 4.493 2.309 1.00 10.03 H new ATOM 0 HD13 LEU A 94 2.862 5.707 2.018 1.00 10.03 H new ATOM 0 HD21 LEU A 94 5.219 3.827 2.650 1.00 33.44 H new ATOM 0 HD22 LEU A 94 5.084 5.489 3.273 1.00 33.44 H new ATOM 0 HD23 LEU A 94 5.297 4.129 4.402 1.00 33.44 H new ATOM 1383 N GLU A 95 3.055 6.003 7.903 1.00 13.12 N ATOM 1384 CA GLU A 95 3.843 6.725 8.895 1.00 51.41 C ATOM 1385 C GLU A 95 3.992 5.905 10.172 1.00 14.33 C ATOM 1386 O GLU A 95 4.524 6.385 11.172 1.00 3.21 O ATOM 1387 CB GLU A 95 3.191 8.073 9.213 1.00 33.52 C ATOM 1388 CG GLU A 95 3.533 9.165 8.214 1.00 53.23 C ATOM 1389 CD GLU A 95 4.164 10.379 8.869 1.00 34.51 C ATOM 1390 OE1 GLU A 95 5.231 10.224 9.498 1.00 4.15 O ATOM 1391 OE2 GLU A 95 3.589 11.481 8.753 1.00 1.04 O ATOM 0 H GLU A 95 2.056 6.206 7.929 1.00 13.12 H new ATOM 0 HA GLU A 95 4.835 6.899 8.478 1.00 51.41 H new ATOM 0 HB2 GLU A 95 2.109 7.946 9.243 1.00 33.52 H new ATOM 0 HB3 GLU A 95 3.502 8.392 10.208 1.00 33.52 H new ATOM 0 HG2 GLU A 95 4.216 8.765 7.464 1.00 53.23 H new ATOM 0 HG3 GLU A 95 2.627 9.469 7.690 1.00 53.23 H new ATOM 1398 N GLY A 96 3.517 4.664 10.132 1.00 31.31 N ATOM 1399 CA GLY A 96 3.607 3.797 11.292 1.00 32.31 C ATOM 1400 C GLY A 96 2.693 4.239 12.418 1.00 63.12 C ATOM 1401 O GLY A 96 2.640 3.602 13.471 1.00 52.34 O ATOM 0 H GLY A 96 3.071 4.244 9.317 1.00 31.31 H new ATOM 0 HA2 GLY A 96 3.353 2.778 11.001 1.00 32.31 H new ATOM 0 HA3 GLY A 96 4.637 3.779 11.650 1.00 32.31 H new ATOM 1405 N ARG A 97 1.973 5.334 12.199 1.00 42.14 N ATOM 1406 CA ARG A 97 1.059 5.862 13.204 1.00 0.21 C ATOM 1407 C ARG A 97 -0.294 5.163 13.131 1.00 72.21 C ATOM 1408 O ARG A 97 -1.071 5.188 14.087 1.00 61.43 O ATOM 1409 CB ARG A 97 0.877 7.369 13.017 1.00 50.42 C ATOM 1410 CG ARG A 97 2.181 8.151 13.059 1.00 13.22 C ATOM 1411 CD ARG A 97 2.037 9.429 13.869 1.00 11.12 C ATOM 1412 NE ARG A 97 3.244 9.730 14.635 1.00 5.11 N ATOM 1413 CZ ARG A 97 3.475 10.904 15.212 1.00 2.13 C ATOM 1414 NH1 ARG A 97 2.586 11.882 15.111 1.00 11.13 N ATOM 1415 NH2 ARG A 97 4.597 11.102 15.892 1.00 62.31 N ATOM 0 H ARG A 97 2.005 5.873 11.334 1.00 42.14 H new ATOM 0 HA ARG A 97 1.492 5.674 14.186 1.00 0.21 H new ATOM 0 HB2 ARG A 97 0.385 7.551 12.062 1.00 50.42 H new ATOM 0 HB3 ARG A 97 0.212 7.745 13.795 1.00 50.42 H new ATOM 0 HG2 ARG A 97 2.965 7.530 13.493 1.00 13.22 H new ATOM 0 HG3 ARG A 97 2.493 8.395 12.044 1.00 13.22 H new ATOM 0 HD2 ARG A 97 1.816 10.260 13.199 1.00 11.12 H new ATOM 0 HD3 ARG A 97 1.190 9.334 14.549 1.00 11.12 H new ATOM 0 HE ARG A 97 3.948 8.998 14.732 1.00 5.11 H new ATOM 0 HH11 ARG A 97 1.722 11.734 14.589 1.00 11.13 H new ATOM 0 HH12 ARG A 97 2.766 12.783 15.555 1.00 11.13 H new ATOM 0 HH21 ARG A 97 5.284 10.352 15.972 1.00 62.31 H new ATOM 0 HH22 ARG A 97 4.773 12.004 16.334 1.00 62.31 H new ATOM 1429 N LEU A 98 -0.571 4.539 11.991 1.00 54.05 N ATOM 1430 CA LEU A 98 -1.831 3.832 11.791 1.00 0.31 C ATOM 1431 C LEU A 98 -1.587 2.426 11.255 1.00 73.25 C ATOM 1432 O LEU A 98 -0.444 1.992 11.121 1.00 43.22 O ATOM 1433 CB LEU A 98 -2.728 4.610 10.827 1.00 52.42 C ATOM 1434 CG LEU A 98 -3.712 5.590 11.467 1.00 34.44 C ATOM 1435 CD1 LEU A 98 -4.571 6.256 10.404 1.00 40.20 C ATOM 1436 CD2 LEU A 98 -4.586 4.875 12.489 1.00 23.20 C ATOM 0 H LEU A 98 0.061 4.508 11.191 1.00 54.05 H new ATOM 0 HA LEU A 98 -2.331 3.751 12.756 1.00 0.31 H new ATOM 0 HB2 LEU A 98 -2.091 5.164 10.137 1.00 52.42 H new ATOM 0 HB3 LEU A 98 -3.295 3.894 10.232 1.00 52.42 H new ATOM 0 HG LEU A 98 -3.142 6.364 11.981 1.00 34.44 H new ATOM 0 HD11 LEU A 98 -5.265 6.950 10.879 1.00 40.20 H new ATOM 0 HD12 LEU A 98 -3.932 6.801 9.709 1.00 40.20 H new ATOM 0 HD13 LEU A 98 -5.133 5.496 9.861 1.00 40.20 H new ATOM 0 HD21 LEU A 98 -5.281 5.587 12.935 1.00 23.20 H new ATOM 0 HD22 LEU A 98 -5.147 4.081 11.996 1.00 23.20 H new ATOM 0 HD23 LEU A 98 -3.957 4.445 13.268 1.00 23.20 H new ATOM 1448 N GLU A 99 -2.671 1.719 10.946 1.00 51.21 N ATOM 1449 CA GLU A 99 -2.573 0.362 10.422 1.00 34.25 C ATOM 1450 C GLU A 99 -3.448 0.192 9.183 1.00 14.45 C ATOM 1451 O GLU A 99 -4.518 0.790 9.062 1.00 42.15 O ATOM 1452 CB GLU A 99 -2.983 -0.652 11.492 1.00 53.12 C ATOM 1453 CG GLU A 99 -1.811 -1.406 12.097 1.00 10.35 C ATOM 1454 CD GLU A 99 -1.172 -0.660 13.253 1.00 51.53 C ATOM 1455 OE1 GLU A 99 -1.917 -0.163 14.123 1.00 23.13 O ATOM 1456 OE2 GLU A 99 0.073 -0.572 13.286 1.00 64.43 O ATOM 0 H GLU A 99 -3.625 2.064 11.050 1.00 51.21 H new ATOM 0 HA GLU A 99 -1.535 0.183 10.140 1.00 34.25 H new ATOM 0 HB2 GLU A 99 -3.519 -0.133 12.286 1.00 53.12 H new ATOM 0 HB3 GLU A 99 -3.678 -1.368 11.054 1.00 53.12 H new ATOM 0 HG2 GLU A 99 -2.151 -2.382 12.443 1.00 10.35 H new ATOM 0 HG3 GLU A 99 -1.062 -1.585 11.326 1.00 10.35 H new ATOM 1463 N PRO A 100 -2.984 -0.641 8.241 1.00 41.34 N ATOM 1464 CA PRO A 100 -3.708 -0.908 6.995 1.00 23.30 C ATOM 1465 C PRO A 100 -4.978 -1.719 7.225 1.00 72.40 C ATOM 1466 O PRO A 100 -6.034 -1.408 6.674 1.00 72.14 O ATOM 1467 CB PRO A 100 -2.703 -1.713 6.166 1.00 22.01 C ATOM 1468 CG PRO A 100 -1.810 -2.354 7.172 1.00 33.44 C ATOM 1469 CD PRO A 100 -1.716 -1.387 8.320 1.00 54.03 C ATOM 0 HA PRO A 100 -4.041 0.011 6.512 1.00 23.30 H new ATOM 0 HB2 PRO A 100 -3.205 -2.459 5.550 1.00 22.01 H new ATOM 0 HB3 PRO A 100 -2.140 -1.068 5.491 1.00 22.01 H new ATOM 0 HG2 PRO A 100 -2.216 -3.311 7.500 1.00 33.44 H new ATOM 0 HG3 PRO A 100 -0.826 -2.554 6.749 1.00 33.44 H new ATOM 0 HD2 PRO A 100 -1.613 -1.904 9.274 1.00 54.03 H new ATOM 0 HD3 PRO A 100 -0.854 -0.727 8.220 1.00 54.03 H new ATOM 1477 N LEU A 101 -4.870 -2.761 8.042 1.00 22.40 N ATOM 1478 CA LEU A 101 -6.011 -3.617 8.346 1.00 64.50 C ATOM 1479 C LEU A 101 -6.892 -2.990 9.422 1.00 43.33 C ATOM 1480 O LEU A 101 -8.111 -3.158 9.415 1.00 10.23 O ATOM 1481 CB LEU A 101 -5.531 -4.996 8.804 1.00 54.23 C ATOM 1482 CG LEU A 101 -5.209 -5.997 7.694 1.00 21.45 C ATOM 1483 CD1 LEU A 101 -6.488 -6.592 7.123 1.00 14.43 C ATOM 1484 CD2 LEU A 101 -4.392 -5.332 6.596 1.00 21.32 C ATOM 0 H LEU A 101 -4.003 -3.033 8.506 1.00 22.40 H new ATOM 0 HA LEU A 101 -6.603 -3.727 7.437 1.00 64.50 H new ATOM 0 HB2 LEU A 101 -4.639 -4.863 9.416 1.00 54.23 H new ATOM 0 HB3 LEU A 101 -6.297 -5.430 9.447 1.00 54.23 H new ATOM 0 HG LEU A 101 -4.616 -6.805 8.122 1.00 21.45 H new ATOM 0 HD11 LEU A 101 -6.239 -7.302 6.334 1.00 14.43 H new ATOM 0 HD12 LEU A 101 -7.035 -7.105 7.914 1.00 14.43 H new ATOM 0 HD13 LEU A 101 -7.108 -5.795 6.711 1.00 14.43 H new ATOM 0 HD21 LEU A 101 -4.172 -6.060 5.815 1.00 21.32 H new ATOM 0 HD22 LEU A 101 -4.959 -4.504 6.171 1.00 21.32 H new ATOM 0 HD23 LEU A 101 -3.458 -4.956 7.014 1.00 21.32 H new ATOM 1496 N SER A 102 -6.266 -2.265 10.343 1.00 43.44 N ATOM 1497 CA SER A 102 -6.992 -1.612 11.426 1.00 71.02 C ATOM 1498 C SER A 102 -7.766 -0.403 10.910 1.00 50.01 C ATOM 1499 O SER A 102 -8.917 -0.183 11.287 1.00 43.11 O ATOM 1500 CB SER A 102 -6.025 -1.180 12.529 1.00 3.43 C ATOM 1501 OG SER A 102 -6.574 -1.422 13.813 1.00 20.32 O ATOM 0 H SER A 102 -5.257 -2.115 10.361 1.00 43.44 H new ATOM 0 HA SER A 102 -7.703 -2.328 11.837 1.00 71.02 H new ATOM 0 HB2 SER A 102 -5.084 -1.721 12.425 1.00 3.43 H new ATOM 0 HB3 SER A 102 -5.797 -0.120 12.422 1.00 3.43 H new ATOM 0 HG SER A 102 -5.936 -1.139 14.500 1.00 20.32 H new ATOM 1507 N ALA A 103 -7.126 0.377 10.045 1.00 2.11 N ATOM 1508 CA ALA A 103 -7.754 1.562 9.475 1.00 22.11 C ATOM 1509 C ALA A 103 -8.955 1.187 8.616 1.00 52.44 C ATOM 1510 O ALA A 103 -9.904 1.962 8.484 1.00 34.04 O ATOM 1511 CB ALA A 103 -6.743 2.353 8.658 1.00 52.44 C ATOM 0 H ALA A 103 -6.173 0.209 9.724 1.00 2.11 H new ATOM 0 HA ALA A 103 -8.109 2.186 10.295 1.00 22.11 H new ATOM 0 HB1 ALA A 103 -7.225 3.236 8.238 1.00 52.44 H new ATOM 0 HB2 ALA A 103 -5.918 2.661 9.300 1.00 52.44 H new ATOM 0 HB3 ALA A 103 -6.360 1.729 7.850 1.00 52.44 H new ATOM 1517 N LEU A 104 -8.909 -0.004 8.030 1.00 53.31 N ATOM 1518 CA LEU A 104 -9.995 -0.482 7.181 1.00 62.15 C ATOM 1519 C LEU A 104 -11.150 -1.015 8.022 1.00 60.14 C ATOM 1520 O LEU A 104 -12.303 -0.997 7.593 1.00 71.24 O ATOM 1521 CB LEU A 104 -9.488 -1.575 6.238 1.00 64.54 C ATOM 1522 CG LEU A 104 -10.018 -2.986 6.499 1.00 11.21 C ATOM 1523 CD1 LEU A 104 -11.415 -3.146 5.918 1.00 31.02 C ATOM 1524 CD2 LEU A 104 -9.074 -4.027 5.917 1.00 10.11 C ATOM 0 H LEU A 104 -8.131 -0.657 8.127 1.00 53.31 H new ATOM 0 HA LEU A 104 -10.359 0.359 6.590 1.00 62.15 H new ATOM 0 HB2 LEU A 104 -9.746 -1.295 5.217 1.00 64.54 H new ATOM 0 HB3 LEU A 104 -8.400 -1.601 6.296 1.00 64.54 H new ATOM 0 HG LEU A 104 -10.074 -3.139 7.577 1.00 11.21 H new ATOM 0 HD11 LEU A 104 -11.777 -4.156 6.113 1.00 31.02 H new ATOM 0 HD12 LEU A 104 -12.087 -2.424 6.382 1.00 31.02 H new ATOM 0 HD13 LEU A 104 -11.384 -2.973 4.842 1.00 31.02 H new ATOM 0 HD21 LEU A 104 -9.467 -5.025 6.112 1.00 10.11 H new ATOM 0 HD22 LEU A 104 -8.985 -3.876 4.841 1.00 10.11 H new ATOM 0 HD23 LEU A 104 -8.092 -3.927 6.380 1.00 10.11 H new ATOM 1536 N MET A 105 -10.832 -1.488 9.222 1.00 30.21 N ATOM 1537 CA MET A 105 -11.844 -2.023 10.126 1.00 50.35 C ATOM 1538 C MET A 105 -12.460 -0.912 10.971 1.00 72.35 C ATOM 1539 O MET A 105 -13.625 -0.991 11.361 1.00 62.42 O ATOM 1540 CB MET A 105 -11.235 -3.092 11.034 1.00 5.21 C ATOM 1541 CG MET A 105 -11.038 -4.434 10.346 1.00 51.35 C ATOM 1542 SD MET A 105 -11.621 -5.818 11.344 1.00 1.14 S ATOM 1543 CE MET A 105 -13.236 -6.098 10.622 1.00 21.24 C ATOM 0 H MET A 105 -9.882 -1.512 9.591 1.00 30.21 H new ATOM 0 HA MET A 105 -12.631 -2.476 9.523 1.00 50.35 H new ATOM 0 HB2 MET A 105 -10.273 -2.738 11.404 1.00 5.21 H new ATOM 0 HB3 MET A 105 -11.879 -3.229 11.902 1.00 5.21 H new ATOM 0 HG2 MET A 105 -11.567 -4.430 9.393 1.00 51.35 H new ATOM 0 HG3 MET A 105 -9.980 -4.572 10.123 1.00 51.35 H new ATOM 0 HE1 MET A 105 -13.725 -6.927 11.134 1.00 21.24 H new ATOM 0 HE2 MET A 105 -13.843 -5.198 10.727 1.00 21.24 H new ATOM 0 HE3 MET A 105 -13.125 -6.339 9.565 1.00 21.24 H new ATOM 1553 N ARG A 106 -11.672 0.120 11.249 1.00 63.30 N ATOM 1554 CA ARG A 106 -12.140 1.245 12.050 1.00 41.13 C ATOM 1555 C ARG A 106 -13.127 2.099 11.260 1.00 1.42 C ATOM 1556 O ARG A 106 -13.925 2.836 11.838 1.00 52.05 O ATOM 1557 CB ARG A 106 -10.957 2.102 12.504 1.00 23.44 C ATOM 1558 CG ARG A 106 -10.169 1.493 13.652 1.00 23.53 C ATOM 1559 CD ARG A 106 -9.434 2.558 14.451 1.00 65.23 C ATOM 1560 NE ARG A 106 -9.915 2.639 15.828 1.00 45.34 N ATOM 1561 CZ ARG A 106 -9.902 1.614 16.673 1.00 64.15 C ATOM 1562 NH1 ARG A 106 -9.434 0.435 16.283 1.00 51.33 N ATOM 1563 NH2 ARG A 106 -10.357 1.767 17.910 1.00 63.44 N ATOM 0 H ARG A 106 -10.706 0.201 10.932 1.00 63.30 H new ATOM 0 HA ARG A 106 -12.650 0.848 12.928 1.00 41.13 H new ATOM 0 HB2 ARG A 106 -10.288 2.260 11.658 1.00 23.44 H new ATOM 0 HB3 ARG A 106 -11.325 3.083 12.807 1.00 23.44 H new ATOM 0 HG2 ARG A 106 -10.845 0.946 14.309 1.00 23.53 H new ATOM 0 HG3 ARG A 106 -9.452 0.771 13.260 1.00 23.53 H new ATOM 0 HD2 ARG A 106 -8.366 2.338 14.452 1.00 65.23 H new ATOM 0 HD3 ARG A 106 -9.559 3.526 13.966 1.00 65.23 H new ATOM 0 HE ARG A 106 -10.281 3.532 16.159 1.00 45.34 H new ATOM 0 HH11 ARG A 106 -9.083 0.314 15.333 1.00 51.33 H new ATOM 0 HH12 ARG A 106 -9.425 -0.351 16.933 1.00 51.33 H new ATOM 0 HH21 ARG A 106 -10.717 2.672 18.213 1.00 63.44 H new ATOM 0 HH22 ARG A 106 -10.347 0.980 18.558 1.00 63.44 H new ATOM 1577 N GLY A 107 -13.065 1.995 9.936 1.00 13.52 N ATOM 1578 CA GLY A 107 -13.959 2.765 9.090 1.00 63.13 C ATOM 1579 C GLY A 107 -13.254 3.913 8.396 1.00 41.20 C ATOM 1580 O GLY A 107 -13.864 4.943 8.107 1.00 14.34 O ATOM 0 H GLY A 107 -12.413 1.392 9.434 1.00 13.52 H new ATOM 0 HA2 GLY A 107 -14.401 2.108 8.341 1.00 63.13 H new ATOM 0 HA3 GLY A 107 -14.778 3.157 9.693 1.00 63.13 H new ATOM 1584 N LEU A 108 -11.965 3.738 8.128 1.00 42.45 N ATOM 1585 CA LEU A 108 -11.174 4.769 7.464 1.00 55.43 C ATOM 1586 C LEU A 108 -10.981 4.441 5.987 1.00 64.30 C ATOM 1587 O LEU A 108 -11.168 5.296 5.120 1.00 74.04 O ATOM 1588 CB LEU A 108 -9.814 4.917 8.148 1.00 54.44 C ATOM 1589 CG LEU A 108 -9.844 5.124 9.663 1.00 61.03 C ATOM 1590 CD1 LEU A 108 -8.481 4.829 10.268 1.00 4.42 C ATOM 1591 CD2 LEU A 108 -10.284 6.541 9.999 1.00 45.24 C ATOM 0 H LEU A 108 -11.445 2.892 8.360 1.00 42.45 H new ATOM 0 HA LEU A 108 -11.716 5.712 7.540 1.00 55.43 H new ATOM 0 HB2 LEU A 108 -9.224 4.026 7.935 1.00 54.44 H new ATOM 0 HB3 LEU A 108 -9.292 5.761 7.696 1.00 54.44 H new ATOM 0 HG LEU A 108 -10.567 4.430 10.092 1.00 61.03 H new ATOM 0 HD11 LEU A 108 -8.521 4.981 11.347 1.00 4.42 H new ATOM 0 HD12 LEU A 108 -8.205 3.796 10.058 1.00 4.42 H new ATOM 0 HD13 LEU A 108 -7.738 5.498 9.834 1.00 4.42 H new ATOM 0 HD21 LEU A 108 -10.300 6.670 11.081 1.00 45.24 H new ATOM 0 HD22 LEU A 108 -9.586 7.253 9.559 1.00 45.24 H new ATOM 0 HD23 LEU A 108 -11.282 6.717 9.598 1.00 45.24 H new ATOM 1603 N LEU A 109 -10.607 3.197 5.707 1.00 24.14 N ATOM 1604 CA LEU A 109 -10.390 2.754 4.334 1.00 12.04 C ATOM 1605 C LEU A 109 -11.611 2.010 3.803 1.00 44.10 C ATOM 1606 O LEU A 109 -12.558 1.745 4.542 1.00 25.20 O ATOM 1607 CB LEU A 109 -9.156 1.853 4.258 1.00 42.04 C ATOM 1608 CG LEU A 109 -8.054 2.137 5.278 1.00 65.33 C ATOM 1609 CD1 LEU A 109 -6.941 1.105 5.163 1.00 41.43 C ATOM 1610 CD2 LEU A 109 -7.502 3.543 5.089 1.00 24.24 C ATOM 0 H LEU A 109 -10.448 2.478 6.412 1.00 24.14 H new ATOM 0 HA LEU A 109 -10.227 3.636 3.714 1.00 12.04 H new ATOM 0 HB2 LEU A 109 -9.478 0.819 4.379 1.00 42.04 H new ATOM 0 HB3 LEU A 109 -8.729 1.939 3.259 1.00 42.04 H new ATOM 0 HG LEU A 109 -8.484 2.068 6.277 1.00 65.33 H new ATOM 0 HD11 LEU A 109 -6.165 1.323 5.897 1.00 41.43 H new ATOM 0 HD12 LEU A 109 -7.346 0.110 5.348 1.00 41.43 H new ATOM 0 HD13 LEU A 109 -6.513 1.141 4.161 1.00 41.43 H new ATOM 0 HD21 LEU A 109 -6.718 3.728 5.824 1.00 24.24 H new ATOM 0 HD22 LEU A 109 -7.088 3.640 4.085 1.00 24.24 H new ATOM 0 HD23 LEU A 109 -8.303 4.270 5.223 1.00 24.24 H new ATOM 1622 N GLU A 110 -11.580 1.675 2.517 1.00 72.32 N ATOM 1623 CA GLU A 110 -12.684 0.960 1.888 1.00 63.35 C ATOM 1624 C GLU A 110 -12.211 0.217 0.641 1.00 53.44 C ATOM 1625 O GLU A 110 -11.809 0.834 -0.347 1.00 62.03 O ATOM 1626 CB GLU A 110 -13.807 1.932 1.520 1.00 1.15 C ATOM 1627 CG GLU A 110 -15.168 1.270 1.391 1.00 32.53 C ATOM 1628 CD GLU A 110 -16.157 1.757 2.432 1.00 23.02 C ATOM 1629 OE1 GLU A 110 -16.701 2.868 2.257 1.00 75.51 O ATOM 1630 OE2 GLU A 110 -16.384 1.031 3.422 1.00 1.23 O ATOM 0 H GLU A 110 -10.803 1.887 1.891 1.00 72.32 H new ATOM 0 HA GLU A 110 -13.064 0.230 2.603 1.00 63.35 H new ATOM 0 HB2 GLU A 110 -13.863 2.713 2.278 1.00 1.15 H new ATOM 0 HB3 GLU A 110 -13.559 2.420 0.577 1.00 1.15 H new ATOM 0 HG2 GLU A 110 -15.569 1.464 0.396 1.00 32.53 H new ATOM 0 HG3 GLU A 110 -15.052 0.190 1.483 1.00 32.53 H new ATOM 1637 N LEU A 111 -12.263 -1.108 0.694 1.00 62.33 N ATOM 1638 CA LEU A 111 -11.839 -1.937 -0.430 1.00 12.53 C ATOM 1639 C LEU A 111 -12.936 -2.022 -1.486 1.00 53.33 C ATOM 1640 O LEU A 111 -13.892 -2.784 -1.344 1.00 72.05 O ATOM 1641 CB LEU A 111 -11.472 -3.340 0.054 1.00 3.21 C ATOM 1642 CG LEU A 111 -10.814 -4.256 -0.978 1.00 4.34 C ATOM 1643 CD1 LEU A 111 -9.324 -3.967 -1.074 1.00 72.31 C ATOM 1644 CD2 LEU A 111 -11.054 -5.717 -0.625 1.00 53.24 C ATOM 0 H LEU A 111 -12.595 -1.633 1.503 1.00 62.33 H new ATOM 0 HA LEU A 111 -10.961 -1.474 -0.880 1.00 12.53 H new ATOM 0 HB2 LEU A 111 -10.799 -3.244 0.906 1.00 3.21 H new ATOM 0 HB3 LEU A 111 -12.378 -3.826 0.416 1.00 3.21 H new ATOM 0 HG LEU A 111 -11.265 -4.059 -1.950 1.00 4.34 H new ATOM 0 HD11 LEU A 111 -8.872 -4.628 -1.813 1.00 72.31 H new ATOM 0 HD12 LEU A 111 -9.173 -2.930 -1.374 1.00 72.31 H new ATOM 0 HD13 LEU A 111 -8.857 -4.135 -0.103 1.00 72.31 H new ATOM 0 HD21 LEU A 111 -10.578 -6.354 -1.371 1.00 53.24 H new ATOM 0 HD22 LEU A 111 -10.630 -5.928 0.357 1.00 53.24 H new ATOM 0 HD23 LEU A 111 -12.126 -5.916 -0.608 1.00 53.24 H new ATOM 1656 N LYS A 112 -12.791 -1.236 -2.549 1.00 3.15 N ATOM 1657 CA LYS A 112 -13.765 -1.225 -3.631 1.00 43.14 C ATOM 1658 C LYS A 112 -13.820 -2.580 -4.329 1.00 62.11 C ATOM 1659 O LYS A 112 -14.898 -3.115 -4.586 1.00 51.55 O ATOM 1660 CB LYS A 112 -13.419 -0.131 -4.645 1.00 70.41 C ATOM 1661 CG LYS A 112 -14.171 1.169 -4.417 1.00 45.41 C ATOM 1662 CD LYS A 112 -14.798 1.683 -5.703 1.00 4.44 C ATOM 1663 CE LYS A 112 -13.792 2.454 -6.544 1.00 13.33 C ATOM 1664 NZ LYS A 112 -14.275 3.826 -6.866 1.00 21.24 N ATOM 0 H LYS A 112 -12.006 -0.598 -2.682 1.00 3.15 H new ATOM 0 HA LYS A 112 -14.745 -1.018 -3.201 1.00 43.14 H new ATOM 0 HB2 LYS A 112 -12.348 0.066 -4.603 1.00 70.41 H new ATOM 0 HB3 LYS A 112 -13.637 -0.496 -5.649 1.00 70.41 H new ATOM 0 HG2 LYS A 112 -14.948 1.014 -3.669 1.00 45.41 H new ATOM 0 HG3 LYS A 112 -13.489 1.920 -4.018 1.00 45.41 H new ATOM 0 HD2 LYS A 112 -15.189 0.844 -6.279 1.00 4.44 H new ATOM 0 HD3 LYS A 112 -15.644 2.327 -5.464 1.00 4.44 H new ATOM 0 HE2 LYS A 112 -12.845 2.519 -6.009 1.00 13.33 H new ATOM 0 HE3 LYS A 112 -13.599 1.910 -7.469 1.00 13.33 H new ATOM 0 HZ1 LYS A 112 -13.562 4.319 -7.440 1.00 21.24 H new ATOM 0 HZ2 LYS A 112 -15.166 3.764 -7.399 1.00 21.24 H new ATOM 0 HZ3 LYS A 112 -14.435 4.354 -5.984 1.00 21.24 H new ATOM 1678 N LYS A 113 -12.650 -3.132 -4.632 1.00 22.51 N ATOM 1679 CA LYS A 113 -12.563 -4.427 -5.297 1.00 12.41 C ATOM 1680 C LYS A 113 -12.458 -5.556 -4.278 1.00 24.24 C ATOM 1681 O LYS A 113 -12.661 -5.348 -3.082 1.00 72.01 O ATOM 1682 CB LYS A 113 -11.358 -4.460 -6.239 1.00 4.03 C ATOM 1683 CG LYS A 113 -11.714 -4.813 -7.672 1.00 33.11 C ATOM 1684 CD LYS A 113 -11.819 -3.573 -8.542 1.00 54.24 C ATOM 1685 CE LYS A 113 -13.249 -3.335 -9.005 1.00 21.20 C ATOM 1686 NZ LYS A 113 -13.432 -1.966 -9.560 1.00 13.41 N ATOM 0 H LYS A 113 -11.748 -2.702 -4.427 1.00 22.51 H new ATOM 0 HA LYS A 113 -13.474 -4.571 -5.878 1.00 12.41 H new ATOM 0 HB2 LYS A 113 -10.870 -3.486 -6.225 1.00 4.03 H new ATOM 0 HB3 LYS A 113 -10.635 -5.184 -5.864 1.00 4.03 H new ATOM 0 HG2 LYS A 113 -10.958 -5.483 -8.081 1.00 33.11 H new ATOM 0 HG3 LYS A 113 -12.661 -5.353 -7.690 1.00 33.11 H new ATOM 0 HD2 LYS A 113 -11.467 -2.705 -7.984 1.00 54.24 H new ATOM 0 HD3 LYS A 113 -11.168 -3.680 -9.409 1.00 54.24 H new ATOM 0 HE2 LYS A 113 -13.513 -4.072 -9.763 1.00 21.20 H new ATOM 0 HE3 LYS A 113 -13.931 -3.481 -8.167 1.00 21.20 H new ATOM 0 HZ1 LYS A 113 -14.419 -1.844 -9.864 1.00 13.41 H new ATOM 0 HZ2 LYS A 113 -13.205 -1.262 -8.829 1.00 13.41 H new ATOM 0 HZ3 LYS A 113 -12.800 -1.835 -10.375 1.00 13.41 H new ATOM 1700 N GLY A 114 -12.136 -6.754 -4.759 1.00 13.42 N ATOM 1701 CA GLY A 114 -12.007 -7.898 -3.875 1.00 14.21 C ATOM 1702 C GLY A 114 -12.990 -7.853 -2.720 1.00 45.34 C ATOM 1703 O GLY A 114 -14.084 -7.300 -2.846 1.00 21.45 O ATOM 0 H GLY A 114 -11.962 -6.952 -5.744 1.00 13.42 H new ATOM 0 HA2 GLY A 114 -12.163 -8.814 -4.446 1.00 14.21 H new ATOM 0 HA3 GLY A 114 -10.991 -7.937 -3.482 1.00 14.21 H new ATOM 1707 N THR A 115 -12.600 -8.435 -1.591 1.00 42.22 N ATOM 1708 CA THR A 115 -13.453 -8.461 -0.410 1.00 63.41 C ATOM 1709 C THR A 115 -12.627 -8.617 0.862 1.00 61.04 C ATOM 1710 O THR A 115 -11.509 -9.130 0.828 1.00 41.24 O ATOM 1711 CB THR A 115 -14.481 -9.606 -0.484 1.00 65.03 C ATOM 1712 OG1 THR A 115 -15.401 -9.511 0.608 1.00 23.11 O ATOM 1713 CG2 THR A 115 -13.786 -10.960 -0.453 1.00 42.45 C ATOM 0 H THR A 115 -11.698 -8.895 -1.470 1.00 42.22 H new ATOM 0 HA THR A 115 -13.982 -7.509 -0.382 1.00 63.41 H new ATOM 0 HB THR A 115 -15.025 -9.516 -1.424 1.00 65.03 H new ATOM 0 HG1 THR A 115 -16.052 -10.242 0.552 1.00 23.11 H new ATOM 0 HG21 THR A 115 -14.532 -11.753 -0.506 1.00 42.45 H new ATOM 0 HG22 THR A 115 -13.109 -11.041 -1.303 1.00 42.45 H new ATOM 0 HG23 THR A 115 -13.219 -11.057 0.473 1.00 42.45 H new ATOM 1721 N ILE A 116 -13.187 -8.172 1.983 1.00 64.13 N ATOM 1722 CA ILE A 116 -12.501 -8.264 3.266 1.00 13.50 C ATOM 1723 C ILE A 116 -12.451 -9.706 3.761 1.00 54.32 C ATOM 1724 O ILE A 116 -11.576 -10.074 4.543 1.00 62.02 O ATOM 1725 CB ILE A 116 -13.185 -7.390 4.333 1.00 14.21 C ATOM 1726 CG1 ILE A 116 -12.191 -7.019 5.435 1.00 60.31 C ATOM 1727 CG2 ILE A 116 -14.388 -8.115 4.919 1.00 23.24 C ATOM 1728 CD1 ILE A 116 -12.727 -6.001 6.416 1.00 52.41 C ATOM 0 H ILE A 116 -14.112 -7.745 2.028 1.00 64.13 H new ATOM 0 HA ILE A 116 -11.485 -7.902 3.108 1.00 13.50 H new ATOM 0 HB ILE A 116 -13.533 -6.471 3.860 1.00 14.21 H new ATOM 0 HG12 ILE A 116 -11.910 -7.921 5.978 1.00 60.31 H new ATOM 0 HG13 ILE A 116 -11.283 -6.627 4.977 1.00 60.31 H new ATOM 0 HG21 ILE A 116 -14.861 -7.485 5.672 1.00 23.24 H new ATOM 0 HG22 ILE A 116 -15.103 -8.333 4.126 1.00 23.24 H new ATOM 0 HG23 ILE A 116 -14.062 -9.048 5.379 1.00 23.24 H new ATOM 0 HD11 ILE A 116 -11.968 -5.786 7.169 1.00 52.41 H new ATOM 0 HD12 ILE A 116 -12.982 -5.084 5.886 1.00 52.41 H new ATOM 0 HD13 ILE A 116 -13.618 -6.398 6.902 1.00 52.41 H new ATOM 1740 N ALA A 117 -13.396 -10.518 3.297 1.00 1.33 N ATOM 1741 CA ALA A 117 -13.458 -11.920 3.689 1.00 52.04 C ATOM 1742 C ALA A 117 -12.169 -12.649 3.325 1.00 71.34 C ATOM 1743 O ALA A 117 -11.906 -13.746 3.816 1.00 10.32 O ATOM 1744 CB ALA A 117 -14.653 -12.598 3.036 1.00 73.22 C ATOM 0 H ALA A 117 -14.129 -10.228 2.649 1.00 1.33 H new ATOM 0 HA ALA A 117 -13.576 -11.964 4.772 1.00 52.04 H new ATOM 0 HB1 ALA A 117 -14.687 -13.645 3.338 1.00 73.22 H new ATOM 0 HB2 ALA A 117 -15.570 -12.100 3.350 1.00 73.22 H new ATOM 0 HB3 ALA A 117 -14.559 -12.536 1.952 1.00 73.22 H new ATOM 1750 N ALA A 118 -11.370 -12.033 2.460 1.00 52.44 N ATOM 1751 CA ALA A 118 -10.109 -12.623 2.031 1.00 22.50 C ATOM 1752 C ALA A 118 -8.951 -12.132 2.894 1.00 50.35 C ATOM 1753 O ALA A 118 -7.896 -12.764 2.954 1.00 11.22 O ATOM 1754 CB ALA A 118 -9.849 -12.306 0.566 1.00 61.40 C ATOM 0 H ALA A 118 -11.574 -11.125 2.043 1.00 52.44 H new ATOM 0 HA ALA A 118 -10.184 -13.704 2.150 1.00 22.50 H new ATOM 0 HB1 ALA A 118 -8.903 -12.753 0.259 1.00 61.40 H new ATOM 0 HB2 ALA A 118 -10.657 -12.712 -0.043 1.00 61.40 H new ATOM 0 HB3 ALA A 118 -9.800 -11.226 0.431 1.00 61.40 H new ATOM 1760 N LEU A 119 -9.155 -11.000 3.559 1.00 53.51 N ATOM 1761 CA LEU A 119 -8.127 -10.422 4.419 1.00 60.11 C ATOM 1762 C LEU A 119 -8.162 -11.052 5.807 1.00 51.53 C ATOM 1763 O LEU A 119 -7.273 -10.822 6.627 1.00 52.45 O ATOM 1764 CB LEU A 119 -8.317 -8.908 4.528 1.00 55.21 C ATOM 1765 CG LEU A 119 -8.671 -8.181 3.230 1.00 62.10 C ATOM 1766 CD1 LEU A 119 -9.000 -6.722 3.507 1.00 23.05 C ATOM 1767 CD2 LEU A 119 -7.528 -8.291 2.229 1.00 15.31 C ATOM 0 H LEU A 119 -10.022 -10.464 3.520 1.00 53.51 H new ATOM 0 HA LEU A 119 -7.155 -10.628 3.971 1.00 60.11 H new ATOM 0 HB2 LEU A 119 -9.104 -8.712 5.257 1.00 55.21 H new ATOM 0 HB3 LEU A 119 -7.399 -8.474 4.925 1.00 55.21 H new ATOM 0 HG LEU A 119 -9.553 -8.655 2.799 1.00 62.10 H new ATOM 0 HD11 LEU A 119 -9.249 -6.221 2.571 1.00 23.05 H new ATOM 0 HD12 LEU A 119 -9.849 -6.663 4.187 1.00 23.05 H new ATOM 0 HD13 LEU A 119 -8.137 -6.234 3.961 1.00 23.05 H new ATOM 0 HD21 LEU A 119 -7.797 -7.768 1.311 1.00 15.31 H new ATOM 0 HD22 LEU A 119 -6.629 -7.842 2.652 1.00 15.31 H new ATOM 0 HD23 LEU A 119 -7.339 -9.341 2.006 1.00 15.31 H new ATOM 1779 N ALA A 120 -9.194 -11.850 6.064 1.00 3.21 N ATOM 1780 CA ALA A 120 -9.342 -12.516 7.352 1.00 34.31 C ATOM 1781 C ALA A 120 -8.047 -13.207 7.765 1.00 60.13 C ATOM 1782 O ALA A 120 -7.451 -12.897 8.796 1.00 24.31 O ATOM 1783 CB ALA A 120 -10.484 -13.519 7.298 1.00 60.21 C ATOM 0 H ALA A 120 -9.939 -12.051 5.397 1.00 3.21 H new ATOM 0 HA ALA A 120 -9.573 -11.759 8.101 1.00 34.31 H new ATOM 0 HB1 ALA A 120 -10.584 -14.009 8.266 1.00 60.21 H new ATOM 0 HB2 ALA A 120 -11.412 -13.001 7.056 1.00 60.21 H new ATOM 0 HB3 ALA A 120 -10.276 -14.267 6.533 1.00 60.21 H new ATOM 1789 N PRO A 121 -7.600 -14.168 6.942 1.00 61.41 N ATOM 1790 CA PRO A 121 -6.371 -14.923 7.202 1.00 60.22 C ATOM 1791 C PRO A 121 -5.120 -14.067 7.041 1.00 65.25 C ATOM 1792 O PRO A 121 -4.049 -14.415 7.540 1.00 72.10 O ATOM 1793 CB PRO A 121 -6.403 -16.028 6.142 1.00 4.03 C ATOM 1794 CG PRO A 121 -7.233 -15.469 5.037 1.00 22.12 C ATOM 1795 CD PRO A 121 -8.261 -14.590 5.695 1.00 65.12 C ATOM 0 HA PRO A 121 -6.330 -15.296 8.225 1.00 60.22 H new ATOM 0 HB2 PRO A 121 -5.399 -16.275 5.797 1.00 4.03 H new ATOM 0 HB3 PRO A 121 -6.838 -16.945 6.539 1.00 4.03 H new ATOM 0 HG2 PRO A 121 -6.620 -14.898 4.339 1.00 22.12 H new ATOM 0 HG3 PRO A 121 -7.709 -16.266 4.465 1.00 22.12 H new ATOM 0 HD2 PRO A 121 -8.520 -13.736 5.069 1.00 65.12 H new ATOM 0 HD3 PRO A 121 -9.186 -15.132 5.894 1.00 65.12 H new ATOM 1803 N TYR A 122 -5.261 -12.948 6.341 1.00 51.31 N ATOM 1804 CA TYR A 122 -4.141 -12.042 6.112 1.00 23.10 C ATOM 1805 C TYR A 122 -4.370 -10.704 6.808 1.00 11.13 C ATOM 1806 O TYR A 122 -4.316 -9.648 6.180 1.00 12.03 O ATOM 1807 CB TYR A 122 -3.934 -11.821 4.613 1.00 54.31 C ATOM 1808 CG TYR A 122 -4.232 -13.043 3.774 1.00 3.01 C ATOM 1809 CD1 TYR A 122 -3.535 -14.230 3.968 1.00 3.24 C ATOM 1810 CD2 TYR A 122 -5.208 -13.011 2.786 1.00 14.31 C ATOM 1811 CE1 TYR A 122 -3.802 -15.349 3.204 1.00 51.44 C ATOM 1812 CE2 TYR A 122 -5.483 -14.125 2.017 1.00 35.04 C ATOM 1813 CZ TYR A 122 -4.778 -15.291 2.230 1.00 72.33 C ATOM 1814 OH TYR A 122 -5.048 -16.403 1.465 1.00 34.12 O ATOM 0 H TYR A 122 -6.140 -12.646 5.922 1.00 51.31 H new ATOM 0 HA TYR A 122 -3.246 -12.500 6.532 1.00 23.10 H new ATOM 0 HB2 TYR A 122 -4.571 -11.000 4.284 1.00 54.31 H new ATOM 0 HB3 TYR A 122 -2.903 -11.513 4.439 1.00 54.31 H new ATOM 0 HD1 TYR A 122 -2.771 -14.278 4.730 1.00 3.24 H new ATOM 0 HD2 TYR A 122 -5.761 -12.099 2.616 1.00 14.31 H new ATOM 0 HE1 TYR A 122 -3.251 -16.263 3.368 1.00 51.44 H new ATOM 0 HE2 TYR A 122 -6.246 -14.083 1.253 1.00 35.04 H new ATOM 0 HH TYR A 122 -5.762 -16.195 0.827 1.00 34.12 H new ATOM 1824 N ALA A 123 -4.627 -10.760 8.111 1.00 13.43 N ATOM 1825 CA ALA A 123 -4.863 -9.553 8.895 1.00 14.10 C ATOM 1826 C ALA A 123 -3.572 -9.052 9.532 1.00 12.30 C ATOM 1827 O ALA A 123 -3.382 -7.848 9.705 1.00 34.23 O ATOM 1828 CB ALA A 123 -5.915 -9.814 9.963 1.00 52.11 C ATOM 0 H ALA A 123 -4.677 -11.627 8.646 1.00 13.43 H new ATOM 0 HA ALA A 123 -5.230 -8.778 8.222 1.00 14.10 H new ATOM 0 HB1 ALA A 123 -6.081 -8.904 10.540 1.00 52.11 H new ATOM 0 HB2 ALA A 123 -6.848 -10.118 9.488 1.00 52.11 H new ATOM 0 HB3 ALA A 123 -5.571 -10.607 10.627 1.00 52.11 H new ATOM 1834 N GLN A 124 -2.689 -9.982 9.880 1.00 41.43 N ATOM 1835 CA GLN A 124 -1.416 -9.633 10.500 1.00 54.11 C ATOM 1836 C GLN A 124 -0.334 -9.428 9.445 1.00 73.33 C ATOM 1837 O GLN A 124 0.462 -8.494 9.531 1.00 10.43 O ATOM 1838 CB GLN A 124 -0.987 -10.724 11.482 1.00 74.51 C ATOM 1839 CG GLN A 124 -1.674 -10.630 12.835 1.00 42.52 C ATOM 1840 CD GLN A 124 -2.638 -11.773 13.081 1.00 25.42 C ATOM 1841 OE1 GLN A 124 -2.810 -12.649 12.233 1.00 72.33 O ATOM 1842 NE2 GLN A 124 -3.273 -11.772 14.248 1.00 60.31 N ATOM 0 H GLN A 124 -2.831 -10.983 9.743 1.00 41.43 H new ATOM 0 HA GLN A 124 -1.550 -8.697 11.043 1.00 54.11 H new ATOM 0 HB2 GLN A 124 -1.198 -11.699 11.044 1.00 74.51 H new ATOM 0 HB3 GLN A 124 0.092 -10.667 11.627 1.00 74.51 H new ATOM 0 HG2 GLN A 124 -0.919 -10.621 13.621 1.00 42.52 H new ATOM 0 HG3 GLN A 124 -2.213 -9.685 12.899 1.00 42.52 H new ATOM 0 HE21 GLN A 124 -3.100 -11.026 14.922 1.00 60.31 H new ATOM 0 HE22 GLN A 124 -3.933 -12.517 14.470 1.00 60.31 H new ATOM 1851 N ALA A 125 -0.312 -10.308 8.449 1.00 42.02 N ATOM 1852 CA ALA A 125 0.671 -10.223 7.377 1.00 41.32 C ATOM 1853 C ALA A 125 0.907 -8.774 6.962 1.00 52.00 C ATOM 1854 O ALA A 125 1.971 -8.430 6.449 1.00 51.23 O ATOM 1855 CB ALA A 125 0.221 -11.049 6.181 1.00 15.23 C ATOM 0 H ALA A 125 -0.964 -11.088 8.363 1.00 42.02 H new ATOM 0 HA ALA A 125 1.613 -10.626 7.749 1.00 41.32 H new ATOM 0 HB1 ALA A 125 0.965 -10.976 5.388 1.00 15.23 H new ATOM 0 HB2 ALA A 125 0.110 -12.091 6.480 1.00 15.23 H new ATOM 0 HB3 ALA A 125 -0.735 -10.672 5.817 1.00 15.23 H new ATOM 1861 N ALA A 126 -0.095 -7.929 7.186 1.00 10.43 N ATOM 1862 CA ALA A 126 0.004 -6.517 6.836 1.00 2.25 C ATOM 1863 C ALA A 126 1.136 -5.840 7.602 1.00 31.13 C ATOM 1864 O ALA A 126 1.934 -5.103 7.025 1.00 71.20 O ATOM 1865 CB ALA A 126 -1.316 -5.812 7.109 1.00 21.12 C ATOM 0 H ALA A 126 -0.984 -8.198 7.608 1.00 10.43 H new ATOM 0 HA ALA A 126 0.227 -6.446 5.771 1.00 2.25 H new ATOM 0 HB1 ALA A 126 -1.228 -4.759 6.843 1.00 21.12 H new ATOM 0 HB2 ALA A 126 -2.104 -6.272 6.513 1.00 21.12 H new ATOM 0 HB3 ALA A 126 -1.563 -5.900 8.167 1.00 21.12 H new ATOM 1871 N GLN A 127 1.197 -6.095 8.906 1.00 13.41 N ATOM 1872 CA GLN A 127 2.230 -5.508 9.750 1.00 4.22 C ATOM 1873 C GLN A 127 3.571 -5.471 9.024 1.00 64.23 C ATOM 1874 O GLN A 127 4.387 -4.579 9.254 1.00 4.40 O ATOM 1875 CB GLN A 127 2.364 -6.299 11.052 1.00 4.13 C ATOM 1876 CG GLN A 127 1.431 -5.820 12.153 1.00 62.41 C ATOM 1877 CD GLN A 127 0.500 -6.912 12.644 1.00 60.30 C ATOM 1878 OE1 GLN A 127 0.845 -8.094 12.622 1.00 72.11 O ATOM 1879 NE2 GLN A 127 -0.688 -6.521 13.089 1.00 75.13 N ATOM 0 H GLN A 127 0.544 -6.703 9.399 1.00 13.41 H new ATOM 0 HA GLN A 127 1.935 -4.485 9.983 1.00 4.22 H new ATOM 0 HB2 GLN A 127 2.165 -7.351 10.850 1.00 4.13 H new ATOM 0 HB3 GLN A 127 3.393 -6.231 11.404 1.00 4.13 H new ATOM 0 HG2 GLN A 127 2.023 -5.449 12.990 1.00 62.41 H new ATOM 0 HG3 GLN A 127 0.840 -4.982 11.784 1.00 62.41 H new ATOM 0 HE21 GLN A 127 -0.932 -5.531 13.089 1.00 75.13 H new ATOM 0 HE22 GLN A 127 -1.357 -7.211 13.431 1.00 75.13 H new ATOM 1888 N GLU A 128 3.791 -6.446 8.147 1.00 52.20 N ATOM 1889 CA GLU A 128 5.034 -6.525 7.389 1.00 10.40 C ATOM 1890 C GLU A 128 4.997 -5.587 6.185 1.00 12.30 C ATOM 1891 O GLU A 128 5.905 -4.779 5.985 1.00 73.54 O ATOM 1892 CB GLU A 128 5.283 -7.960 6.923 1.00 73.23 C ATOM 1893 CG GLU A 128 5.551 -8.932 8.061 1.00 54.44 C ATOM 1894 CD GLU A 128 6.676 -8.472 8.968 1.00 41.24 C ATOM 1895 OE1 GLU A 128 7.851 -8.597 8.564 1.00 3.43 O ATOM 1896 OE2 GLU A 128 6.381 -7.986 10.079 1.00 23.51 O ATOM 0 H GLU A 128 3.125 -7.191 7.944 1.00 52.20 H new ATOM 0 HA GLU A 128 5.849 -6.217 8.044 1.00 10.40 H new ATOM 0 HB2 GLU A 128 4.417 -8.305 6.358 1.00 73.23 H new ATOM 0 HB3 GLU A 128 6.133 -7.969 6.241 1.00 73.23 H new ATOM 0 HG2 GLU A 128 4.642 -9.056 8.650 1.00 54.44 H new ATOM 0 HG3 GLU A 128 5.799 -9.910 7.648 1.00 54.44 H new ATOM 1903 N LEU A 129 3.941 -5.700 5.387 1.00 54.03 N ATOM 1904 CA LEU A 129 3.784 -4.863 4.203 1.00 63.14 C ATOM 1905 C LEU A 129 4.114 -3.408 4.517 1.00 51.24 C ATOM 1906 O LEU A 129 4.932 -2.785 3.839 1.00 64.53 O ATOM 1907 CB LEU A 129 2.357 -4.970 3.663 1.00 13.23 C ATOM 1908 CG LEU A 129 2.092 -6.116 2.687 1.00 73.51 C ATOM 1909 CD1 LEU A 129 0.670 -6.633 2.843 1.00 21.43 C ATOM 1910 CD2 LEU A 129 2.343 -5.667 1.255 1.00 24.00 C ATOM 0 H LEU A 129 3.181 -6.363 5.538 1.00 54.03 H new ATOM 0 HA LEU A 129 4.480 -5.218 3.443 1.00 63.14 H new ATOM 0 HB2 LEU A 129 1.677 -5.075 4.508 1.00 13.23 H new ATOM 0 HB3 LEU A 129 2.106 -4.032 3.167 1.00 13.23 H new ATOM 0 HG LEU A 129 2.780 -6.929 2.918 1.00 73.51 H new ATOM 0 HD11 LEU A 129 0.500 -7.448 2.140 1.00 21.43 H new ATOM 0 HD12 LEU A 129 0.524 -6.995 3.861 1.00 21.43 H new ATOM 0 HD13 LEU A 129 -0.035 -5.826 2.640 1.00 21.43 H new ATOM 0 HD21 LEU A 129 2.149 -6.496 0.574 1.00 24.00 H new ATOM 0 HD22 LEU A 129 1.680 -4.836 1.013 1.00 24.00 H new ATOM 0 HD23 LEU A 129 3.380 -5.347 1.151 1.00 24.00 H new ATOM 1922 N VAL A 130 3.473 -2.870 5.549 1.00 21.51 N ATOM 1923 CA VAL A 130 3.700 -1.489 5.956 1.00 33.01 C ATOM 1924 C VAL A 130 5.117 -1.297 6.485 1.00 43.13 C ATOM 1925 O VAL A 130 5.665 -0.195 6.441 1.00 33.20 O ATOM 1926 CB VAL A 130 2.696 -1.050 7.038 1.00 22.14 C ATOM 1927 CG1 VAL A 130 2.960 -1.788 8.342 1.00 71.22 C ATOM 1928 CG2 VAL A 130 2.762 0.455 7.246 1.00 13.42 C ATOM 0 H VAL A 130 2.791 -3.370 6.119 1.00 21.51 H new ATOM 0 HA VAL A 130 3.560 -0.871 5.069 1.00 33.01 H new ATOM 0 HB VAL A 130 1.691 -1.304 6.701 1.00 22.14 H new ATOM 0 HG11 VAL A 130 2.241 -1.465 9.095 1.00 71.22 H new ATOM 0 HG12 VAL A 130 2.858 -2.861 8.180 1.00 71.22 H new ATOM 0 HG13 VAL A 130 3.970 -1.567 8.687 1.00 71.22 H new ATOM 0 HG21 VAL A 130 2.046 0.748 8.014 1.00 13.42 H new ATOM 0 HG22 VAL A 130 3.767 0.735 7.561 1.00 13.42 H new ATOM 0 HG23 VAL A 130 2.520 0.962 6.312 1.00 13.42 H new ATOM 1938 N LYS A 131 5.708 -2.378 6.983 1.00 74.45 N ATOM 1939 CA LYS A 131 7.062 -2.332 7.519 1.00 3.34 C ATOM 1940 C LYS A 131 8.063 -1.942 6.436 1.00 43.41 C ATOM 1941 O LYS A 131 8.687 -0.883 6.506 1.00 30.00 O ATOM 1942 CB LYS A 131 7.444 -3.689 8.115 1.00 14.23 C ATOM 1943 CG LYS A 131 8.473 -3.596 9.229 1.00 4.30 C ATOM 1944 CD LYS A 131 8.083 -4.452 10.421 1.00 32.45 C ATOM 1945 CE LYS A 131 9.253 -5.291 10.912 1.00 13.53 C ATOM 1946 NZ LYS A 131 9.075 -5.717 12.328 1.00 53.31 N ATOM 0 H LYS A 131 5.269 -3.298 7.026 1.00 74.45 H new ATOM 0 HA LYS A 131 7.089 -1.576 8.304 1.00 3.34 H new ATOM 0 HB2 LYS A 131 6.546 -4.173 8.500 1.00 14.23 H new ATOM 0 HB3 LYS A 131 7.835 -4.327 7.323 1.00 14.23 H new ATOM 0 HG2 LYS A 131 9.446 -3.914 8.854 1.00 4.30 H new ATOM 0 HG3 LYS A 131 8.577 -2.558 9.544 1.00 4.30 H new ATOM 0 HD2 LYS A 131 7.728 -3.812 11.229 1.00 32.45 H new ATOM 0 HD3 LYS A 131 7.255 -5.106 10.145 1.00 32.45 H new ATOM 0 HE2 LYS A 131 9.359 -6.172 10.279 1.00 13.53 H new ATOM 0 HE3 LYS A 131 10.175 -4.718 10.818 1.00 13.53 H new ATOM 0 HZ1 LYS A 131 9.893 -6.286 12.625 1.00 53.31 H new ATOM 0 HZ2 LYS A 131 8.999 -4.877 12.936 1.00 53.31 H new ATOM 0 HZ3 LYS A 131 8.208 -6.286 12.413 1.00 53.31 H new ATOM 1960 N VAL A 132 8.210 -2.803 5.434 1.00 1.41 N ATOM 1961 CA VAL A 132 9.133 -2.546 4.335 1.00 71.33 C ATOM 1962 C VAL A 132 8.743 -1.285 3.572 1.00 1.12 C ATOM 1963 O VAL A 132 9.580 -0.654 2.928 1.00 2.32 O ATOM 1964 CB VAL A 132 9.180 -3.733 3.353 1.00 13.21 C ATOM 1965 CG1 VAL A 132 10.228 -3.495 2.278 1.00 44.11 C ATOM 1966 CG2 VAL A 132 9.452 -5.030 4.099 1.00 64.50 C ATOM 0 H VAL A 132 7.702 -3.684 5.361 1.00 1.41 H new ATOM 0 HA VAL A 132 10.120 -2.409 4.776 1.00 71.33 H new ATOM 0 HB VAL A 132 8.209 -3.819 2.866 1.00 13.21 H new ATOM 0 HG11 VAL A 132 10.247 -4.343 1.594 1.00 44.11 H new ATOM 0 HG12 VAL A 132 9.983 -2.588 1.725 1.00 44.11 H new ATOM 0 HG13 VAL A 132 11.207 -3.382 2.743 1.00 44.11 H new ATOM 0 HG21 VAL A 132 9.482 -5.858 3.391 1.00 64.50 H new ATOM 0 HG22 VAL A 132 10.410 -4.959 4.615 1.00 64.50 H new ATOM 0 HG23 VAL A 132 8.660 -5.204 4.827 1.00 64.50 H new ATOM 1976 N ALA A 133 7.467 -0.924 3.651 1.00 72.14 N ATOM 1977 CA ALA A 133 6.966 0.264 2.970 1.00 35.22 C ATOM 1978 C ALA A 133 7.729 1.509 3.406 1.00 2.15 C ATOM 1979 O ALA A 133 7.976 2.410 2.604 1.00 75.40 O ATOM 1980 CB ALA A 133 5.477 0.436 3.235 1.00 25.34 C ATOM 0 H ALA A 133 6.761 -1.437 4.180 1.00 72.14 H new ATOM 0 HA ALA A 133 7.121 0.131 1.899 1.00 35.22 H new ATOM 0 HB1 ALA A 133 5.116 1.327 2.721 1.00 25.34 H new ATOM 0 HB2 ALA A 133 4.939 -0.438 2.868 1.00 25.34 H new ATOM 0 HB3 ALA A 133 5.308 0.543 4.307 1.00 25.34 H new ATOM 1986 N ARG A 134 8.101 1.553 4.681 1.00 4.35 N ATOM 1987 CA ARG A 134 8.836 2.691 5.224 1.00 72.52 C ATOM 1988 C ARG A 134 10.304 2.635 4.812 1.00 4.12 C ATOM 1989 O ARG A 134 10.935 3.668 4.591 1.00 14.34 O ATOM 1990 CB ARG A 134 8.724 2.716 6.749 1.00 50.31 C ATOM 1991 CG ARG A 134 7.317 2.454 7.261 1.00 53.54 C ATOM 1992 CD ARG A 134 7.331 1.934 8.689 1.00 71.20 C ATOM 1993 NE ARG A 134 6.032 1.399 9.090 1.00 1.33 N ATOM 1994 CZ ARG A 134 5.776 0.922 10.304 1.00 41.34 C ATOM 1995 NH1 ARG A 134 6.726 0.913 11.229 1.00 15.11 N ATOM 1996 NH2 ARG A 134 4.569 0.455 10.592 1.00 21.52 N ATOM 0 H ARG A 134 7.906 0.815 5.357 1.00 4.35 H new ATOM 0 HA ARG A 134 8.397 3.603 4.819 1.00 72.52 H new ATOM 0 HB2 ARG A 134 9.398 1.969 7.167 1.00 50.31 H new ATOM 0 HB3 ARG A 134 9.059 3.687 7.114 1.00 50.31 H new ATOM 0 HG2 ARG A 134 6.734 3.374 7.214 1.00 53.54 H new ATOM 0 HG3 ARG A 134 6.822 1.730 6.614 1.00 53.54 H new ATOM 0 HD2 ARG A 134 8.088 1.156 8.784 1.00 71.20 H new ATOM 0 HD3 ARG A 134 7.615 2.740 9.365 1.00 71.20 H new ATOM 0 HE ARG A 134 5.280 1.391 8.401 1.00 1.33 H new ATOM 0 HH11 ARG A 134 7.655 1.273 11.009 1.00 15.11 H new ATOM 0 HH12 ARG A 134 6.528 0.547 12.160 1.00 15.11 H new ATOM 0 HH21 ARG A 134 3.837 0.462 9.882 1.00 21.52 H new ATOM 0 HH22 ARG A 134 4.373 0.089 11.524 1.00 21.52 H new ATOM 2010 N GLU A 135 10.840 1.423 4.712 1.00 52.55 N ATOM 2011 CA GLU A 135 12.235 1.235 4.327 1.00 33.12 C ATOM 2012 C GLU A 135 12.563 2.028 3.066 1.00 62.32 C ATOM 2013 O GLU A 135 13.625 2.642 2.965 1.00 62.34 O ATOM 2014 CB GLU A 135 12.528 -0.249 4.101 1.00 21.30 C ATOM 2015 CG GLU A 135 12.780 -1.023 5.384 1.00 71.11 C ATOM 2016 CD GLU A 135 14.186 -0.826 5.917 1.00 31.10 C ATOM 2017 OE1 GLU A 135 14.474 0.271 6.440 1.00 41.03 O ATOM 2018 OE2 GLU A 135 14.997 -1.769 5.812 1.00 65.32 O ATOM 0 H GLU A 135 10.331 0.558 4.892 1.00 52.55 H new ATOM 0 HA GLU A 135 12.863 1.602 5.139 1.00 33.12 H new ATOM 0 HB2 GLU A 135 11.687 -0.700 3.574 1.00 21.30 H new ATOM 0 HB3 GLU A 135 13.399 -0.344 3.453 1.00 21.30 H new ATOM 0 HG2 GLU A 135 12.061 -0.709 6.141 1.00 71.11 H new ATOM 0 HG3 GLU A 135 12.609 -2.084 5.203 1.00 71.11 H new ATOM 2025 N VAL A 136 11.643 2.010 2.106 1.00 24.41 N ATOM 2026 CA VAL A 136 11.834 2.727 0.851 1.00 44.21 C ATOM 2027 C VAL A 136 11.698 4.232 1.052 1.00 10.31 C ATOM 2028 O VAL A 136 12.630 4.991 0.791 1.00 63.13 O ATOM 2029 CB VAL A 136 10.824 2.269 -0.217 1.00 72.31 C ATOM 2030 CG1 VAL A 136 10.971 3.098 -1.483 1.00 61.02 C ATOM 2031 CG2 VAL A 136 11.000 0.788 -0.516 1.00 31.35 C ATOM 0 H VAL A 136 10.758 1.507 2.174 1.00 24.41 H new ATOM 0 HA VAL A 136 12.843 2.499 0.507 1.00 44.21 H new ATOM 0 HB VAL A 136 9.817 2.421 0.172 1.00 72.31 H new ATOM 0 HG11 VAL A 136 10.249 2.759 -2.226 1.00 61.02 H new ATOM 0 HG12 VAL A 136 10.790 4.148 -1.253 1.00 61.02 H new ATOM 0 HG13 VAL A 136 11.980 2.982 -1.879 1.00 61.02 H new ATOM 0 HG21 VAL A 136 10.278 0.481 -1.273 1.00 31.35 H new ATOM 0 HG22 VAL A 136 12.010 0.609 -0.884 1.00 31.35 H new ATOM 0 HG23 VAL A 136 10.838 0.211 0.395 1.00 31.35 H new