USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 431 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 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 17 GLN : amide:sc= -1.75! C(o=-1.7!,f=-2.9!) USER MOD Single : A 18 LYS NZ :NH3+ 166:sc=-0.00515 (180deg=-0.0779) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.22) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 101:sc= 1.2 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 120:sc= -0.0528 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.00088) USER MOD ----------------------------------------------------------------- ATOM 100 N TRP A 10 9.483 -12.668 -8.766 1.00 3.22 N ATOM 101 CA TRP A 10 9.003 -11.836 -9.864 1.00 31.24 C ATOM 102 C TRP A 10 7.949 -12.572 -10.683 1.00 73.21 C ATOM 103 O TRP A 10 7.163 -11.953 -11.401 1.00 3.33 O ATOM 104 CB TRP A 10 10.168 -11.421 -10.763 1.00 52.35 C ATOM 105 CG TRP A 10 10.770 -12.565 -11.522 1.00 11.32 C ATOM 106 CD1 TRP A 10 11.467 -13.617 -11.001 1.00 4.25 C ATOM 107 CD2 TRP A 10 10.729 -12.770 -12.938 1.00 42.01 C ATOM 108 NE1 TRP A 10 11.863 -14.464 -12.008 1.00 11.23 N ATOM 109 CE2 TRP A 10 11.422 -13.967 -13.206 1.00 33.24 C ATOM 110 CE3 TRP A 10 10.174 -12.060 -14.006 1.00 74.41 C ATOM 111 CZ2 TRP A 10 11.573 -14.467 -14.496 1.00 52.13 C ATOM 112 CZ3 TRP A 10 10.325 -12.558 -15.287 1.00 13.45 C ATOM 113 CH2 TRP A 10 11.019 -13.752 -15.523 1.00 52.40 C ATOM 0 HA TRP A 10 8.546 -10.943 -9.438 1.00 31.24 H new ATOM 0 HB2 TRP A 10 9.821 -10.668 -11.470 1.00 52.35 H new ATOM 0 HB3 TRP A 10 10.940 -10.953 -10.152 1.00 52.35 H new ATOM 0 HD1 TRP A 10 11.676 -13.762 -9.951 1.00 4.25 H new ATOM 0 HE1 TRP A 10 12.398 -15.323 -11.884 1.00 11.23 H new ATOM 0 HE3 TRP A 10 9.637 -11.139 -13.834 1.00 74.41 H new ATOM 0 HZ2 TRP A 10 12.108 -15.387 -14.680 1.00 52.13 H new ATOM 0 HZ3 TRP A 10 9.901 -12.017 -16.120 1.00 13.45 H new ATOM 0 HH2 TRP A 10 11.119 -14.115 -16.535 1.00 52.40 H new ATOM 124 N ARG A 11 7.937 -13.896 -10.571 1.00 73.44 N ATOM 125 CA ARG A 11 6.979 -14.716 -11.303 1.00 72.24 C ATOM 126 C ARG A 11 5.568 -14.524 -10.755 1.00 52.02 C ATOM 127 O ARG A 11 4.591 -14.964 -11.361 1.00 15.42 O ATOM 128 CB ARG A 11 7.372 -16.192 -11.223 1.00 20.42 C ATOM 129 CG ARG A 11 8.803 -16.466 -11.655 1.00 4.21 C ATOM 130 CD ARG A 11 9.064 -17.956 -11.808 1.00 21.22 C ATOM 131 NE ARG A 11 10.118 -18.422 -10.911 1.00 64.21 N ATOM 132 CZ ARG A 11 9.919 -18.711 -9.630 1.00 2.22 C ATOM 133 NH1 ARG A 11 8.711 -18.582 -9.098 1.00 25.30 N ATOM 134 NH2 ARG A 11 10.929 -19.130 -8.878 1.00 1.50 N ATOM 0 H ARG A 11 8.580 -14.424 -9.980 1.00 73.44 H new ATOM 0 HA ARG A 11 6.991 -14.400 -12.346 1.00 72.24 H new ATOM 0 HB2 ARG A 11 7.238 -16.540 -10.199 1.00 20.42 H new ATOM 0 HB3 ARG A 11 6.695 -16.774 -11.848 1.00 20.42 H new ATOM 0 HG2 ARG A 11 9.001 -15.962 -12.601 1.00 4.21 H new ATOM 0 HG3 ARG A 11 9.492 -16.049 -10.921 1.00 4.21 H new ATOM 0 HD2 ARG A 11 8.146 -18.507 -11.606 1.00 21.22 H new ATOM 0 HD3 ARG A 11 9.344 -18.171 -12.839 1.00 21.22 H new ATOM 0 HE ARG A 11 11.059 -18.532 -11.289 1.00 64.21 H new ATOM 0 HH11 ARG A 11 7.932 -18.260 -9.673 1.00 25.30 H new ATOM 0 HH12 ARG A 11 8.561 -18.805 -8.114 1.00 25.30 H new ATOM 0 HH21 ARG A 11 11.859 -19.230 -9.284 1.00 1.50 H new ATOM 0 HH22 ARG A 11 10.775 -19.352 -7.894 1.00 1.50 H new ATOM 148 N SER A 12 5.470 -13.865 -9.605 1.00 41.10 N ATOM 149 CA SER A 12 4.179 -13.618 -8.973 1.00 25.24 C ATOM 150 C SER A 12 3.220 -12.938 -9.944 1.00 74.22 C ATOM 151 O SER A 12 3.602 -12.025 -10.677 1.00 72.44 O ATOM 152 CB SER A 12 4.357 -12.753 -7.724 1.00 11.24 C ATOM 153 OG SER A 12 3.229 -11.921 -7.515 1.00 34.11 O ATOM 0 H SER A 12 6.269 -13.492 -9.092 1.00 41.10 H new ATOM 0 HA SER A 12 3.754 -14.579 -8.684 1.00 25.24 H new ATOM 0 HB2 SER A 12 4.508 -13.392 -6.854 1.00 11.24 H new ATOM 0 HB3 SER A 12 5.252 -12.139 -7.828 1.00 11.24 H new ATOM 0 HG SER A 12 3.367 -11.379 -6.710 1.00 34.11 H new ATOM 159 N THR A 13 1.969 -13.390 -9.944 1.00 41.34 N ATOM 160 CA THR A 13 0.954 -12.827 -10.826 1.00 34.35 C ATOM 161 C THR A 13 0.881 -11.311 -10.684 1.00 64.20 C ATOM 162 O THR A 13 0.862 -10.586 -11.678 1.00 4.11 O ATOM 163 CB THR A 13 -0.436 -13.425 -10.535 1.00 61.40 C ATOM 164 OG1 THR A 13 -0.317 -14.822 -10.243 1.00 63.21 O ATOM 165 CG2 THR A 13 -1.369 -13.228 -11.720 1.00 43.43 C ATOM 0 H THR A 13 1.635 -14.144 -9.343 1.00 41.34 H new ATOM 0 HA THR A 13 1.246 -13.080 -11.845 1.00 34.35 H new ATOM 0 HB THR A 13 -0.856 -12.908 -9.672 1.00 61.40 H new ATOM 0 HG1 THR A 13 -1.204 -15.194 -10.058 1.00 63.21 H new ATOM 0 HG21 THR A 13 -2.344 -13.658 -11.491 1.00 43.43 H new ATOM 0 HG22 THR A 13 -1.481 -12.163 -11.922 1.00 43.43 H new ATOM 0 HG23 THR A 13 -0.952 -13.722 -12.598 1.00 43.43 H new ATOM 173 N ALA A 14 0.842 -10.839 -9.442 1.00 41.35 N ATOM 174 CA ALA A 14 0.775 -9.408 -9.171 1.00 71.14 C ATOM 175 C ALA A 14 1.912 -8.664 -9.864 1.00 33.11 C ATOM 176 O ALA A 14 1.723 -7.562 -10.379 1.00 11.23 O ATOM 177 CB ALA A 14 0.811 -9.153 -7.672 1.00 14.21 C ATOM 0 H ALA A 14 0.856 -11.426 -8.608 1.00 41.35 H new ATOM 0 HA ALA A 14 -0.167 -9.031 -9.570 1.00 71.14 H new ATOM 0 HB1 ALA A 14 0.760 -8.081 -7.484 1.00 14.21 H new ATOM 0 HB2 ALA A 14 -0.039 -9.645 -7.199 1.00 14.21 H new ATOM 0 HB3 ALA A 14 1.737 -9.551 -7.257 1.00 14.21 H new ATOM 183 N PHE A 15 3.093 -9.273 -9.872 1.00 73.32 N ATOM 184 CA PHE A 15 4.261 -8.667 -10.500 1.00 61.32 C ATOM 185 C PHE A 15 4.044 -8.495 -12.001 1.00 12.33 C ATOM 186 O PHE A 15 3.950 -7.373 -12.500 1.00 65.32 O ATOM 187 CB PHE A 15 5.504 -9.524 -10.249 1.00 34.14 C ATOM 188 CG PHE A 15 6.784 -8.739 -10.251 1.00 12.42 C ATOM 189 CD1 PHE A 15 7.244 -8.142 -11.413 1.00 62.25 C ATOM 190 CD2 PHE A 15 7.527 -8.597 -9.090 1.00 21.10 C ATOM 191 CE1 PHE A 15 8.422 -7.418 -11.419 1.00 32.32 C ATOM 192 CE2 PHE A 15 8.705 -7.874 -9.089 1.00 70.11 C ATOM 193 CZ PHE A 15 9.154 -7.285 -10.255 1.00 75.12 C ATOM 0 H PHE A 15 3.266 -10.186 -9.451 1.00 73.32 H new ATOM 0 HA PHE A 15 4.411 -7.683 -10.057 1.00 61.32 H new ATOM 0 HB2 PHE A 15 5.399 -10.030 -9.289 1.00 34.14 H new ATOM 0 HB3 PHE A 15 5.561 -10.299 -11.013 1.00 34.14 H new ATOM 0 HD1 PHE A 15 6.676 -8.243 -12.326 1.00 62.25 H new ATOM 0 HD2 PHE A 15 7.182 -9.056 -8.176 1.00 21.10 H new ATOM 0 HE1 PHE A 15 8.769 -6.957 -12.332 1.00 32.32 H new ATOM 0 HE2 PHE A 15 9.274 -7.770 -8.177 1.00 70.11 H new ATOM 0 HZ PHE A 15 10.075 -6.722 -10.257 1.00 75.12 H new ATOM 203 N ARG A 16 3.965 -9.613 -12.714 1.00 30.53 N ATOM 204 CA ARG A 16 3.761 -9.587 -14.157 1.00 13.11 C ATOM 205 C ARG A 16 2.505 -8.798 -14.514 1.00 15.42 C ATOM 206 O ARG A 16 2.485 -8.055 -15.495 1.00 60.32 O ATOM 207 CB ARG A 16 3.654 -11.011 -14.705 1.00 32.23 C ATOM 208 CG ARG A 16 3.730 -11.088 -16.221 1.00 22.13 C ATOM 209 CD ARG A 16 2.908 -12.248 -16.762 1.00 5.41 C ATOM 210 NE ARG A 16 3.228 -13.505 -16.091 1.00 12.10 N ATOM 211 CZ ARG A 16 2.590 -14.646 -16.327 1.00 24.23 C ATOM 212 NH1 ARG A 16 1.605 -14.688 -17.213 1.00 32.24 N ATOM 213 NH2 ARG A 16 2.939 -15.749 -15.676 1.00 50.11 N ATOM 0 H ARG A 16 4.039 -10.549 -12.316 1.00 30.53 H new ATOM 0 HA ARG A 16 4.621 -9.094 -14.611 1.00 13.11 H new ATOM 0 HB2 ARG A 16 4.454 -11.616 -14.278 1.00 32.23 H new ATOM 0 HB3 ARG A 16 2.712 -11.449 -14.374 1.00 32.23 H new ATOM 0 HG2 ARG A 16 3.371 -10.154 -16.652 1.00 22.13 H new ATOM 0 HG3 ARG A 16 4.769 -11.202 -16.529 1.00 22.13 H new ATOM 0 HD2 ARG A 16 1.847 -12.030 -16.637 1.00 5.41 H new ATOM 0 HD3 ARG A 16 3.088 -12.352 -17.832 1.00 5.41 H new ATOM 0 HE ARG A 16 3.982 -13.507 -15.404 1.00 12.10 H new ATOM 0 HH11 ARG A 16 1.335 -13.843 -17.716 1.00 32.24 H new ATOM 0 HH12 ARG A 16 1.117 -15.566 -17.392 1.00 32.24 H new ATOM 0 HH21 ARG A 16 3.697 -15.721 -14.994 1.00 50.11 H new ATOM 0 HH22 ARG A 16 2.449 -16.625 -15.857 1.00 50.11 H new ATOM 227 N GLN A 17 1.459 -8.964 -13.710 1.00 71.45 N ATOM 228 CA GLN A 17 0.199 -8.268 -13.943 1.00 31.41 C ATOM 229 C GLN A 17 0.414 -6.760 -14.004 1.00 14.31 C ATOM 230 O GLN A 17 0.149 -6.125 -15.025 1.00 43.12 O ATOM 231 CB GLN A 17 -0.807 -8.608 -12.841 1.00 64.34 C ATOM 232 CG GLN A 17 -2.167 -7.958 -13.037 1.00 64.13 C ATOM 233 CD GLN A 17 -2.193 -6.512 -12.582 1.00 73.31 C ATOM 234 OE1 GLN A 17 -1.688 -6.178 -11.510 1.00 15.40 O ATOM 235 NE2 GLN A 17 -2.784 -5.646 -13.397 1.00 2.34 N ATOM 0 H GLN A 17 1.459 -9.574 -12.892 1.00 71.45 H new ATOM 0 HA GLN A 17 -0.198 -8.599 -14.903 1.00 31.41 H new ATOM 0 HB2 GLN A 17 -0.934 -9.690 -12.797 1.00 64.34 H new ATOM 0 HB3 GLN A 17 -0.399 -8.296 -11.880 1.00 64.34 H new ATOM 0 HG2 GLN A 17 -2.441 -8.008 -14.091 1.00 64.13 H new ATOM 0 HG3 GLN A 17 -2.918 -8.522 -12.485 1.00 64.13 H new ATOM 0 HE21 GLN A 17 -3.189 -5.968 -14.276 1.00 2.34 H new ATOM 0 HE22 GLN A 17 -2.833 -4.659 -13.144 1.00 2.34 H new ATOM 244 N LYS A 18 0.894 -6.191 -12.904 1.00 1.43 N ATOM 245 CA LYS A 18 1.146 -4.756 -12.831 1.00 33.20 C ATOM 246 C LYS A 18 1.991 -4.291 -14.013 1.00 35.41 C ATOM 247 O LYS A 18 1.663 -3.304 -14.673 1.00 24.12 O ATOM 248 CB LYS A 18 1.850 -4.407 -11.518 1.00 64.11 C ATOM 249 CG LYS A 18 0.900 -3.984 -10.411 1.00 70.05 C ATOM 250 CD LYS A 18 1.536 -4.139 -9.040 1.00 62.34 C ATOM 251 CE LYS A 18 2.192 -2.846 -8.580 1.00 73.24 C ATOM 252 NZ LYS A 18 1.184 -1.828 -8.172 1.00 23.43 N ATOM 0 H LYS A 18 1.117 -6.702 -12.050 1.00 1.43 H new ATOM 0 HA LYS A 18 0.186 -4.241 -12.869 1.00 33.20 H new ATOM 0 HB2 LYS A 18 2.423 -5.271 -11.182 1.00 64.11 H new ATOM 0 HB3 LYS A 18 2.563 -3.603 -11.700 1.00 64.11 H new ATOM 0 HG2 LYS A 18 0.605 -2.945 -10.561 1.00 70.05 H new ATOM 0 HG3 LYS A 18 -0.009 -4.584 -10.461 1.00 70.05 H new ATOM 0 HD2 LYS A 18 0.777 -4.440 -8.318 1.00 62.34 H new ATOM 0 HD3 LYS A 18 2.280 -4.935 -9.071 1.00 62.34 H new ATOM 0 HE2 LYS A 18 2.858 -3.054 -7.742 1.00 73.24 H new ATOM 0 HE3 LYS A 18 2.808 -2.445 -9.385 1.00 73.24 H new ATOM 0 HZ1 LYS A 18 1.656 -1.063 -7.649 1.00 23.43 H new ATOM 0 HZ2 LYS A 18 0.724 -1.437 -9.018 1.00 23.43 H new ATOM 0 HZ3 LYS A 18 0.468 -2.273 -7.563 1.00 23.43 H new ATOM 266 N LEU A 19 3.077 -5.009 -14.276 1.00 1.01 N ATOM 267 CA LEU A 19 3.968 -4.671 -15.380 1.00 44.21 C ATOM 268 C LEU A 19 3.222 -4.695 -16.710 1.00 34.31 C ATOM 269 O LEU A 19 3.406 -3.818 -17.554 1.00 13.14 O ATOM 270 CB LEU A 19 5.147 -5.644 -15.426 1.00 64.43 C ATOM 271 CG LEU A 19 6.318 -5.326 -14.495 1.00 51.24 C ATOM 272 CD1 LEU A 19 7.409 -4.579 -15.247 1.00 24.45 C ATOM 273 CD2 LEU A 19 5.842 -4.516 -13.298 1.00 50.33 C ATOM 0 H LEU A 19 3.362 -5.829 -13.740 1.00 1.01 H new ATOM 0 HA LEU A 19 4.344 -3.661 -15.214 1.00 44.21 H new ATOM 0 HB2 LEU A 19 4.778 -6.641 -15.186 1.00 64.43 H new ATOM 0 HB3 LEU A 19 5.522 -5.681 -16.449 1.00 64.43 H new ATOM 0 HG LEU A 19 6.734 -6.265 -14.131 1.00 51.24 H new ATOM 0 HD11 LEU A 19 8.234 -4.361 -14.569 1.00 24.45 H new ATOM 0 HD12 LEU A 19 7.769 -5.194 -16.071 1.00 24.45 H new ATOM 0 HD13 LEU A 19 7.006 -3.646 -15.640 1.00 24.45 H new ATOM 0 HD21 LEU A 19 6.688 -4.299 -12.646 1.00 50.33 H new ATOM 0 HD22 LEU A 19 5.401 -3.581 -13.644 1.00 50.33 H new ATOM 0 HD23 LEU A 19 5.096 -5.087 -12.746 1.00 50.33 H new ATOM 285 N VAL A 20 2.376 -5.705 -16.889 1.00 62.35 N ATOM 286 CA VAL A 20 1.598 -5.843 -18.115 1.00 45.51 C ATOM 287 C VAL A 20 0.750 -4.602 -18.369 1.00 41.45 C ATOM 288 O VAL A 20 0.676 -4.108 -19.494 1.00 42.45 O ATOM 289 CB VAL A 20 0.679 -7.077 -18.061 1.00 62.21 C ATOM 290 CG1 VAL A 20 -0.457 -6.941 -19.063 1.00 71.32 C ATOM 291 CG2 VAL A 20 1.477 -8.347 -18.317 1.00 3.33 C ATOM 0 H VAL A 20 2.212 -6.440 -16.201 1.00 62.35 H new ATOM 0 HA VAL A 20 2.311 -5.966 -18.930 1.00 45.51 H new ATOM 0 HB VAL A 20 0.246 -7.142 -17.063 1.00 62.21 H new ATOM 0 HG11 VAL A 20 -1.096 -7.822 -19.010 1.00 71.32 H new ATOM 0 HG12 VAL A 20 -1.044 -6.053 -18.829 1.00 71.32 H new ATOM 0 HG13 VAL A 20 -0.046 -6.850 -20.069 1.00 71.32 H new ATOM 0 HG21 VAL A 20 0.812 -9.209 -18.275 1.00 3.33 H new ATOM 0 HG22 VAL A 20 1.940 -8.293 -19.302 1.00 3.33 H new ATOM 0 HG23 VAL A 20 2.252 -8.449 -17.557 1.00 3.33 H new ATOM 301 N SER A 21 0.111 -4.102 -17.316 1.00 65.02 N ATOM 302 CA SER A 21 -0.735 -2.920 -17.426 1.00 11.23 C ATOM 303 C SER A 21 0.076 -1.711 -17.884 1.00 32.40 C ATOM 304 O SER A 21 -0.366 -0.942 -18.737 1.00 20.20 O ATOM 305 CB SER A 21 -1.404 -2.620 -16.083 1.00 54.41 C ATOM 306 OG SER A 21 -2.469 -1.697 -16.239 1.00 21.32 O ATOM 0 H SER A 21 0.163 -4.497 -16.377 1.00 65.02 H new ATOM 0 HA SER A 21 -1.504 -3.122 -18.171 1.00 11.23 H new ATOM 0 HB2 SER A 21 -1.781 -3.545 -15.646 1.00 54.41 H new ATOM 0 HB3 SER A 21 -0.667 -2.216 -15.388 1.00 54.41 H new ATOM 0 HG SER A 21 -2.881 -1.523 -15.367 1.00 21.32 H new ATOM 312 N GLN A 22 1.264 -1.552 -17.310 1.00 62.45 N ATOM 313 CA GLN A 22 2.137 -0.438 -17.659 1.00 40.41 C ATOM 314 C GLN A 22 2.418 -0.415 -19.158 1.00 5.41 C ATOM 315 O GLN A 22 2.224 0.605 -19.820 1.00 4.31 O ATOM 316 CB GLN A 22 3.452 -0.529 -16.883 1.00 33.54 C ATOM 317 CG GLN A 22 3.272 -0.482 -15.374 1.00 12.01 C ATOM 318 CD GLN A 22 2.231 0.532 -14.942 1.00 1.11 C ATOM 319 OE1 GLN A 22 1.101 0.175 -14.607 1.00 2.10 O ATOM 320 NE2 GLN A 22 2.607 1.806 -14.947 1.00 22.40 N ATOM 0 H GLN A 22 1.644 -2.180 -16.602 1.00 62.45 H new ATOM 0 HA GLN A 22 1.628 0.487 -17.389 1.00 40.41 H new ATOM 0 HB2 GLN A 22 3.959 -1.456 -17.151 1.00 33.54 H new ATOM 0 HB3 GLN A 22 4.102 0.291 -17.189 1.00 33.54 H new ATOM 0 HG2 GLN A 22 2.982 -1.470 -15.016 1.00 12.01 H new ATOM 0 HG3 GLN A 22 4.226 -0.240 -14.905 1.00 12.01 H new ATOM 0 HE21 GLN A 22 3.554 2.057 -15.232 1.00 22.40 H new ATOM 0 HE22 GLN A 22 1.949 2.533 -14.666 1.00 22.40 H new ATOM 329 N ILE A 23 2.877 -1.544 -19.686 1.00 71.40 N ATOM 330 CA ILE A 23 3.184 -1.653 -21.107 1.00 22.33 C ATOM 331 C ILE A 23 1.960 -1.337 -21.960 1.00 23.43 C ATOM 332 O ILE A 23 2.074 -0.731 -23.024 1.00 51.03 O ATOM 333 CB ILE A 23 3.697 -3.061 -21.466 1.00 14.35 C ATOM 334 CG1 ILE A 23 5.068 -3.304 -20.833 1.00 64.31 C ATOM 335 CG2 ILE A 23 3.766 -3.230 -22.976 1.00 1.11 C ATOM 336 CD1 ILE A 23 5.577 -4.717 -21.018 1.00 53.11 C ATOM 0 H ILE A 23 3.045 -2.396 -19.152 1.00 71.40 H new ATOM 0 HA ILE A 23 3.968 -0.925 -21.317 1.00 22.33 H new ATOM 0 HB ILE A 23 2.999 -3.799 -21.070 1.00 14.35 H new ATOM 0 HG12 ILE A 23 5.787 -2.608 -21.265 1.00 64.31 H new ATOM 0 HG13 ILE A 23 5.011 -3.083 -19.767 1.00 64.31 H new ATOM 0 HG21 ILE A 23 4.130 -4.229 -23.214 1.00 1.11 H new ATOM 0 HG22 ILE A 23 2.772 -3.095 -23.403 1.00 1.11 H new ATOM 0 HG23 ILE A 23 4.445 -2.487 -23.395 1.00 1.11 H new ATOM 0 HD11 ILE A 23 6.553 -4.817 -20.544 1.00 53.11 H new ATOM 0 HD12 ILE A 23 4.878 -5.418 -20.561 1.00 53.11 H new ATOM 0 HD13 ILE A 23 5.666 -4.935 -22.082 1.00 53.11 H new ATOM 348 N GLU A 24 0.790 -1.752 -21.483 1.00 5.41 N ATOM 349 CA GLU A 24 -0.455 -1.511 -22.202 1.00 70.41 C ATOM 350 C GLU A 24 -0.814 -0.028 -22.188 1.00 71.31 C ATOM 351 O GLU A 24 -1.365 0.497 -23.156 1.00 2.23 O ATOM 352 CB GLU A 24 -1.592 -2.328 -21.585 1.00 30.40 C ATOM 353 CG GLU A 24 -2.523 -2.949 -22.613 1.00 21.51 C ATOM 354 CD GLU A 24 -3.894 -2.301 -22.626 1.00 24.24 C ATOM 355 OE1 GLU A 24 -3.990 -1.112 -22.256 1.00 32.12 O ATOM 356 OE2 GLU A 24 -4.869 -2.982 -23.005 1.00 31.13 O ATOM 0 H GLU A 24 0.679 -2.256 -20.603 1.00 5.41 H new ATOM 0 HA GLU A 24 -0.313 -1.822 -23.237 1.00 70.41 H new ATOM 0 HB2 GLU A 24 -1.166 -3.119 -20.968 1.00 30.40 H new ATOM 0 HB3 GLU A 24 -2.172 -1.685 -20.923 1.00 30.40 H new ATOM 0 HG2 GLU A 24 -2.075 -2.862 -23.603 1.00 21.51 H new ATOM 0 HG3 GLU A 24 -2.630 -4.013 -22.404 1.00 21.51 H new ATOM 363 N ASP A 25 -0.499 0.640 -21.084 1.00 44.13 N ATOM 364 CA ASP A 25 -0.787 2.063 -20.943 1.00 61.32 C ATOM 365 C ASP A 25 0.112 2.892 -21.854 1.00 43.43 C ATOM 366 O ASP A 25 -0.365 3.731 -22.618 1.00 15.03 O ATOM 367 CB ASP A 25 -0.603 2.500 -19.489 1.00 55.21 C ATOM 368 CG ASP A 25 -1.251 3.841 -19.202 1.00 25.21 C ATOM 369 OD1 ASP A 25 -2.497 3.901 -19.159 1.00 14.14 O ATOM 370 OD2 ASP A 25 -0.510 4.829 -19.019 1.00 52.55 O ATOM 0 H ASP A 25 -0.044 0.219 -20.274 1.00 44.13 H new ATOM 0 HA ASP A 25 -1.823 2.230 -21.236 1.00 61.32 H new ATOM 0 HB2 ASP A 25 -1.029 1.745 -18.829 1.00 55.21 H new ATOM 0 HB3 ASP A 25 0.461 2.558 -19.262 1.00 55.21 H new ATOM 375 N ALA A 26 1.417 2.653 -21.767 1.00 74.24 N ATOM 376 CA ALA A 26 2.382 3.377 -22.584 1.00 44.04 C ATOM 377 C ALA A 26 2.069 3.224 -24.069 1.00 44.50 C ATOM 378 O ALA A 26 2.168 4.183 -24.835 1.00 74.41 O ATOM 379 CB ALA A 26 3.794 2.892 -22.288 1.00 34.31 C ATOM 0 H ALA A 26 1.829 1.963 -21.139 1.00 74.24 H new ATOM 0 HA ALA A 26 2.312 4.435 -22.332 1.00 44.04 H new ATOM 0 HB1 ALA A 26 4.504 3.442 -22.906 1.00 34.31 H new ATOM 0 HB2 ALA A 26 4.023 3.059 -21.235 1.00 34.31 H new ATOM 0 HB3 ALA A 26 3.867 1.828 -22.511 1.00 34.31 H new ATOM 385 N MET A 27 1.693 2.014 -24.468 1.00 42.14 N ATOM 386 CA MET A 27 1.365 1.737 -25.862 1.00 44.22 C ATOM 387 C MET A 27 0.153 2.549 -26.307 1.00 43.33 C ATOM 388 O MET A 27 0.156 3.145 -27.385 1.00 15.24 O ATOM 389 CB MET A 27 1.093 0.244 -26.058 1.00 5.44 C ATOM 390 CG MET A 27 1.862 -0.367 -27.218 1.00 4.43 C ATOM 391 SD MET A 27 1.685 -2.159 -27.302 1.00 15.03 S ATOM 392 CE MET A 27 0.862 -2.344 -28.882 1.00 43.12 C ATOM 0 H MET A 27 1.608 1.210 -23.847 1.00 42.14 H new ATOM 0 HA MET A 27 2.219 2.027 -26.474 1.00 44.22 H new ATOM 0 HB2 MET A 27 1.351 -0.287 -25.142 1.00 5.44 H new ATOM 0 HB3 MET A 27 0.026 0.096 -26.222 1.00 5.44 H new ATOM 0 HG2 MET A 27 1.513 0.073 -28.152 1.00 4.43 H new ATOM 0 HG3 MET A 27 2.918 -0.114 -27.122 1.00 4.43 H new ATOM 0 HE1 MET A 27 0.683 -3.401 -29.077 1.00 43.12 H new ATOM 0 HE2 MET A 27 -0.089 -1.813 -28.861 1.00 43.12 H new ATOM 0 HE3 MET A 27 1.491 -1.931 -29.670 1.00 43.12 H new ATOM 402 N ARG A 28 -0.880 2.568 -25.472 1.00 31.01 N ATOM 403 CA ARG A 28 -2.099 3.306 -25.781 1.00 20.32 C ATOM 404 C ARG A 28 -1.780 4.751 -26.153 1.00 33.13 C ATOM 405 O ARG A 28 -2.211 5.245 -27.195 1.00 63.21 O ATOM 406 CB ARG A 28 -3.056 3.274 -24.588 1.00 1.14 C ATOM 407 CG ARG A 28 -4.194 4.276 -24.693 1.00 30.00 C ATOM 408 CD ARG A 28 -5.532 3.637 -24.355 1.00 22.04 C ATOM 409 NE ARG A 28 -6.604 4.625 -24.268 1.00 70.24 N ATOM 410 CZ ARG A 28 -7.894 4.309 -24.250 1.00 52.21 C ATOM 411 NH1 ARG A 28 -8.270 3.039 -24.311 1.00 55.32 N ATOM 412 NH2 ARG A 28 -8.811 5.265 -24.170 1.00 72.01 N ATOM 0 H ARG A 28 -0.898 2.081 -24.576 1.00 31.01 H new ATOM 0 HA ARG A 28 -2.578 2.827 -26.635 1.00 20.32 H new ATOM 0 HB2 ARG A 28 -3.473 2.271 -24.495 1.00 1.14 H new ATOM 0 HB3 ARG A 28 -2.493 3.471 -23.676 1.00 1.14 H new ATOM 0 HG2 ARG A 28 -4.008 5.112 -24.018 1.00 30.00 H new ATOM 0 HG3 ARG A 28 -4.229 4.684 -25.703 1.00 30.00 H new ATOM 0 HD2 ARG A 28 -5.782 2.897 -25.115 1.00 22.04 H new ATOM 0 HD3 ARG A 28 -5.451 3.106 -23.407 1.00 22.04 H new ATOM 0 HE ARG A 28 -6.348 5.611 -24.218 1.00 70.24 H new ATOM 0 HH11 ARG A 28 -7.568 2.302 -24.372 1.00 55.32 H new ATOM 0 HH12 ARG A 28 -9.261 2.799 -24.297 1.00 55.32 H new ATOM 0 HH21 ARG A 28 -8.525 6.243 -24.122 1.00 72.01 H new ATOM 0 HH22 ARG A 28 -9.801 5.022 -24.156 1.00 72.01 H new ATOM 426 N LYS A 29 -1.024 5.425 -25.293 1.00 23.51 N ATOM 427 CA LYS A 29 -0.646 6.813 -25.530 1.00 22.32 C ATOM 428 C LYS A 29 0.441 6.906 -26.596 1.00 54.44 C ATOM 429 O LYS A 29 0.607 7.944 -27.237 1.00 0.14 O ATOM 430 CB LYS A 29 -0.158 7.459 -24.231 1.00 65.42 C ATOM 431 CG LYS A 29 -1.078 8.549 -23.711 1.00 1.12 C ATOM 432 CD LYS A 29 -0.415 9.361 -22.611 1.00 25.44 C ATOM 433 CE LYS A 29 -1.394 9.694 -21.496 1.00 31.42 C ATOM 434 NZ LYS A 29 -1.052 10.977 -20.822 1.00 31.32 N ATOM 0 H LYS A 29 -0.661 5.032 -24.425 1.00 23.51 H new ATOM 0 HA LYS A 29 -1.526 7.348 -25.886 1.00 22.32 H new ATOM 0 HB2 LYS A 29 -0.055 6.688 -23.468 1.00 65.42 H new ATOM 0 HB3 LYS A 29 0.834 7.880 -24.395 1.00 65.42 H new ATOM 0 HG2 LYS A 29 -1.361 9.209 -24.531 1.00 1.12 H new ATOM 0 HG3 LYS A 29 -1.996 8.101 -23.331 1.00 1.12 H new ATOM 0 HD2 LYS A 29 0.427 8.802 -22.202 1.00 25.44 H new ATOM 0 HD3 LYS A 29 -0.012 10.283 -23.030 1.00 25.44 H new ATOM 0 HE2 LYS A 29 -2.402 9.756 -21.905 1.00 31.42 H new ATOM 0 HE3 LYS A 29 -1.397 8.888 -20.762 1.00 31.42 H new ATOM 0 HZ1 LYS A 29 -1.743 11.168 -20.068 1.00 31.32 H new ATOM 0 HZ2 LYS A 29 -0.100 10.909 -20.410 1.00 31.32 H new ATOM 0 HZ3 LYS A 29 -1.074 11.751 -21.517 1.00 31.32 H new ATOM 448 N ALA A 30 1.176 5.815 -26.783 1.00 2.42 N ATOM 449 CA ALA A 30 2.244 5.774 -27.774 1.00 52.03 C ATOM 450 C ALA A 30 1.677 5.705 -29.188 1.00 63.44 C ATOM 451 O ALA A 30 2.324 6.124 -30.148 1.00 35.52 O ATOM 452 CB ALA A 30 3.162 4.589 -27.513 1.00 14.15 C ATOM 0 H ALA A 30 1.051 4.948 -26.261 1.00 2.42 H new ATOM 0 HA ALA A 30 2.823 6.693 -27.686 1.00 52.03 H new ATOM 0 HB1 ALA A 30 3.955 4.571 -28.261 1.00 14.15 H new ATOM 0 HB2 ALA A 30 3.602 4.681 -26.520 1.00 14.15 H new ATOM 0 HB3 ALA A 30 2.588 3.664 -27.571 1.00 14.15 H new ATOM 458 N GLY A 31 0.465 5.172 -29.310 1.00 62.41 N ATOM 459 CA GLY A 31 -0.167 5.056 -30.611 1.00 52.32 C ATOM 460 C GLY A 31 0.721 4.367 -31.628 1.00 54.23 C ATOM 461 O GLY A 31 1.323 5.020 -32.481 1.00 74.21 O ATOM 0 H GLY A 31 -0.090 4.819 -28.531 1.00 62.41 H new ATOM 0 HA2 GLY A 31 -1.099 4.499 -30.510 1.00 52.32 H new ATOM 0 HA3 GLY A 31 -0.427 6.050 -30.975 1.00 52.32 H new ATOM 563 N LYS A 39 -0.618 -8.204 -23.827 1.00 31.32 N ATOM 564 CA LYS A 39 -0.599 -9.510 -23.178 1.00 65.25 C ATOM 565 C LYS A 39 0.386 -10.447 -23.871 1.00 42.21 C ATOM 566 O LYS A 39 1.099 -11.207 -23.216 1.00 64.34 O ATOM 567 CB LYS A 39 -1.999 -10.128 -23.187 1.00 43.13 C ATOM 568 CG LYS A 39 -2.944 -9.506 -22.174 1.00 71.31 C ATOM 569 CD LYS A 39 -3.609 -10.564 -21.310 1.00 33.32 C ATOM 570 CE LYS A 39 -4.287 -9.947 -20.096 1.00 21.11 C ATOM 571 NZ LYS A 39 -3.877 -10.618 -18.831 1.00 52.11 N ATOM 0 HA LYS A 39 -0.277 -9.370 -22.146 1.00 65.25 H new ATOM 0 HB2 LYS A 39 -2.427 -10.022 -24.184 1.00 43.13 H new ATOM 0 HB3 LYS A 39 -1.917 -11.196 -22.987 1.00 43.13 H new ATOM 0 HG2 LYS A 39 -2.393 -8.811 -21.540 1.00 71.31 H new ATOM 0 HG3 LYS A 39 -3.707 -8.927 -22.694 1.00 71.31 H new ATOM 0 HD2 LYS A 39 -4.345 -11.108 -21.902 1.00 33.32 H new ATOM 0 HD3 LYS A 39 -2.864 -11.289 -20.983 1.00 33.32 H new ATOM 0 HE2 LYS A 39 -4.040 -8.887 -20.042 1.00 21.11 H new ATOM 0 HE3 LYS A 39 -5.369 -10.016 -20.210 1.00 21.11 H new ATOM 0 HZ1 LYS A 39 -4.360 -10.169 -18.027 1.00 52.11 H new ATOM 0 HZ2 LYS A 39 -4.136 -11.624 -18.872 1.00 52.11 H new ATOM 0 HZ3 LYS A 39 -2.848 -10.530 -18.709 1.00 52.11 H new ATOM 585 N ASP A 40 0.421 -10.385 -25.198 1.00 32.34 N ATOM 586 CA ASP A 40 1.320 -11.226 -25.979 1.00 23.32 C ATOM 587 C ASP A 40 2.756 -10.720 -25.885 1.00 23.13 C ATOM 588 O ASP A 40 3.703 -11.506 -25.889 1.00 22.24 O ATOM 589 CB ASP A 40 0.875 -11.265 -27.442 1.00 30.25 C ATOM 590 CG ASP A 40 0.166 -12.557 -27.797 1.00 20.33 C ATOM 591 OD1 ASP A 40 0.852 -13.591 -27.941 1.00 4.14 O ATOM 592 OD2 ASP A 40 -1.075 -12.535 -27.930 1.00 32.20 O ATOM 0 H ASP A 40 -0.163 -9.761 -25.755 1.00 32.34 H new ATOM 0 HA ASP A 40 1.281 -12.235 -25.569 1.00 23.32 H new ATOM 0 HB2 ASP A 40 0.211 -10.423 -27.639 1.00 30.25 H new ATOM 0 HB3 ASP A 40 1.745 -11.142 -28.087 1.00 30.25 H new ATOM 597 N MET A 41 2.910 -9.403 -25.801 1.00 53.33 N ATOM 598 CA MET A 41 4.231 -8.792 -25.706 1.00 54.02 C ATOM 599 C MET A 41 4.887 -9.122 -24.369 1.00 50.23 C ATOM 600 O MET A 41 5.994 -9.656 -24.327 1.00 65.23 O ATOM 601 CB MET A 41 4.128 -7.275 -25.877 1.00 21.11 C ATOM 602 CG MET A 41 4.465 -6.797 -27.280 1.00 25.31 C ATOM 603 SD MET A 41 3.003 -6.324 -28.223 1.00 3.12 S ATOM 604 CE MET A 41 2.920 -7.661 -29.412 1.00 12.31 C ATOM 0 H MET A 41 2.137 -8.738 -25.797 1.00 53.33 H new ATOM 0 HA MET A 41 4.851 -9.199 -26.505 1.00 54.02 H new ATOM 0 HB2 MET A 41 3.116 -6.957 -25.627 1.00 21.11 H new ATOM 0 HB3 MET A 41 4.798 -6.791 -25.166 1.00 21.11 H new ATOM 0 HG2 MET A 41 5.143 -5.946 -27.216 1.00 25.31 H new ATOM 0 HG3 MET A 41 4.995 -7.587 -27.811 1.00 25.31 H new ATOM 0 HE1 MET A 41 2.064 -7.511 -30.070 1.00 12.31 H new ATOM 0 HE2 MET A 41 3.834 -7.678 -30.005 1.00 12.31 H new ATOM 0 HE3 MET A 41 2.811 -8.609 -28.886 1.00 12.31 H new ATOM 614 N GLU A 42 4.196 -8.799 -23.280 1.00 63.12 N ATOM 615 CA GLU A 42 4.714 -9.061 -21.943 1.00 3.25 C ATOM 616 C GLU A 42 4.942 -10.555 -21.730 1.00 2.30 C ATOM 617 O GLU A 42 5.943 -10.963 -21.142 1.00 24.22 O ATOM 618 CB GLU A 42 3.748 -8.525 -20.884 1.00 23.34 C ATOM 619 CG GLU A 42 3.388 -7.061 -21.073 1.00 25.33 C ATOM 620 CD GLU A 42 1.899 -6.846 -21.256 1.00 13.41 C ATOM 621 OE1 GLU A 42 1.150 -7.845 -21.259 1.00 40.13 O ATOM 622 OE2 GLU A 42 1.482 -5.677 -21.396 1.00 10.45 O ATOM 0 H GLU A 42 3.277 -8.356 -23.298 1.00 63.12 H new ATOM 0 HA GLU A 42 5.671 -8.548 -21.845 1.00 3.25 H new ATOM 0 HB2 GLU A 42 2.835 -9.120 -20.903 1.00 23.34 H new ATOM 0 HB3 GLU A 42 4.194 -8.656 -19.898 1.00 23.34 H new ATOM 0 HG2 GLU A 42 3.730 -6.492 -20.208 1.00 25.33 H new ATOM 0 HG3 GLU A 42 3.917 -6.670 -21.942 1.00 25.33 H new ATOM 629 N SER A 43 4.005 -11.365 -22.213 1.00 3.34 N ATOM 630 CA SER A 43 4.101 -12.813 -22.072 1.00 72.01 C ATOM 631 C SER A 43 5.406 -13.332 -22.667 1.00 5.32 C ATOM 632 O SER A 43 6.128 -14.103 -22.033 1.00 53.11 O ATOM 633 CB SER A 43 2.911 -13.492 -22.754 1.00 24.23 C ATOM 634 OG SER A 43 1.750 -13.418 -21.945 1.00 72.05 O ATOM 0 H SER A 43 3.171 -11.043 -22.705 1.00 3.34 H new ATOM 0 HA SER A 43 4.087 -13.052 -21.009 1.00 72.01 H new ATOM 0 HB2 SER A 43 2.719 -13.016 -23.716 1.00 24.23 H new ATOM 0 HB3 SER A 43 3.151 -14.536 -22.957 1.00 24.23 H new ATOM 0 HG SER A 43 1.170 -12.699 -22.271 1.00 72.05 H new ATOM 640 N HIS A 44 5.704 -12.903 -23.889 1.00 43.42 N ATOM 641 CA HIS A 44 6.923 -13.322 -24.571 1.00 25.50 C ATOM 642 C HIS A 44 8.159 -12.908 -23.778 1.00 64.22 C ATOM 643 O HIS A 44 9.111 -13.678 -23.645 1.00 11.11 O ATOM 644 CB HIS A 44 6.980 -12.722 -25.976 1.00 73.31 C ATOM 645 CG HIS A 44 8.016 -13.352 -26.855 1.00 42.22 C ATOM 646 ND1 HIS A 44 9.242 -12.772 -27.107 1.00 73.34 N ATOM 647 CD2 HIS A 44 8.005 -14.519 -27.541 1.00 50.53 C ATOM 648 CE1 HIS A 44 9.939 -13.554 -27.912 1.00 72.41 C ATOM 649 NE2 HIS A 44 9.211 -14.621 -28.190 1.00 30.11 N ATOM 0 H HIS A 44 5.118 -12.265 -24.427 1.00 43.42 H new ATOM 0 HA HIS A 44 6.910 -14.409 -24.649 1.00 25.50 H new ATOM 0 HB2 HIS A 44 6.003 -12.828 -26.447 1.00 73.31 H new ATOM 0 HB3 HIS A 44 7.182 -11.654 -25.898 1.00 73.31 H new ATOM 0 HD2 HIS A 44 7.198 -15.236 -27.572 1.00 50.53 H new ATOM 0 HE1 HIS A 44 10.935 -13.355 -28.280 1.00 72.41 H new ATOM 0 HE2 HIS A 44 9.498 -15.395 -28.789 1.00 30.11 H new ATOM 657 N VAL A 45 8.139 -11.687 -23.254 1.00 55.31 N ATOM 658 CA VAL A 45 9.257 -11.170 -22.474 1.00 70.14 C ATOM 659 C VAL A 45 9.547 -12.061 -21.272 1.00 34.41 C ATOM 660 O VAL A 45 10.701 -12.250 -20.889 1.00 5.31 O ATOM 661 CB VAL A 45 8.984 -9.736 -21.983 1.00 34.32 C ATOM 662 CG1 VAL A 45 10.228 -9.147 -21.335 1.00 74.33 C ATOM 663 CG2 VAL A 45 8.506 -8.862 -23.132 1.00 13.50 C ATOM 0 H VAL A 45 7.360 -11.037 -23.356 1.00 55.31 H new ATOM 0 HA VAL A 45 10.125 -11.161 -23.133 1.00 70.14 H new ATOM 0 HB VAL A 45 8.195 -9.772 -21.232 1.00 34.32 H new ATOM 0 HG11 VAL A 45 10.016 -8.134 -20.994 1.00 74.33 H new ATOM 0 HG12 VAL A 45 10.521 -9.762 -20.484 1.00 74.33 H new ATOM 0 HG13 VAL A 45 11.040 -9.123 -22.062 1.00 74.33 H new ATOM 0 HG21 VAL A 45 8.318 -7.852 -22.767 1.00 13.50 H new ATOM 0 HG22 VAL A 45 9.271 -8.831 -23.908 1.00 13.50 H new ATOM 0 HG23 VAL A 45 7.586 -9.276 -23.546 1.00 13.50 H new ATOM 673 N PHE A 46 8.490 -12.609 -20.680 1.00 2.42 N ATOM 674 CA PHE A 46 8.630 -13.481 -19.519 1.00 45.44 C ATOM 675 C PHE A 46 9.334 -14.781 -19.898 1.00 1.40 C ATOM 676 O PHE A 46 10.370 -15.128 -19.329 1.00 43.54 O ATOM 677 CB PHE A 46 7.258 -13.787 -18.916 1.00 61.24 C ATOM 678 CG PHE A 46 7.323 -14.289 -17.502 1.00 62.13 C ATOM 679 CD1 PHE A 46 7.357 -13.402 -16.439 1.00 15.51 C ATOM 680 CD2 PHE A 46 7.352 -15.649 -17.236 1.00 52.34 C ATOM 681 CE1 PHE A 46 7.416 -13.860 -15.136 1.00 61.03 C ATOM 682 CE2 PHE A 46 7.411 -16.113 -15.936 1.00 31.00 C ATOM 683 CZ PHE A 46 7.444 -15.218 -14.885 1.00 4.32 C ATOM 0 H PHE A 46 7.528 -12.465 -20.985 1.00 2.42 H new ATOM 0 HA PHE A 46 9.237 -12.963 -18.777 1.00 45.44 H new ATOM 0 HB2 PHE A 46 6.648 -12.884 -18.945 1.00 61.24 H new ATOM 0 HB3 PHE A 46 6.756 -14.531 -19.534 1.00 61.24 H new ATOM 0 HD1 PHE A 46 7.337 -12.339 -16.630 1.00 15.51 H new ATOM 0 HD2 PHE A 46 7.328 -16.354 -18.054 1.00 52.34 H new ATOM 0 HE1 PHE A 46 7.440 -13.158 -14.316 1.00 61.03 H new ATOM 0 HE2 PHE A 46 7.431 -17.175 -15.742 1.00 31.00 H new ATOM 0 HZ PHE A 46 7.492 -15.579 -13.868 1.00 4.32 H new ATOM 693 N LEU A 47 8.764 -15.496 -20.861 1.00 51.01 N ATOM 694 CA LEU A 47 9.335 -16.759 -21.317 1.00 1.34 C ATOM 695 C LEU A 47 10.704 -16.539 -21.953 1.00 74.13 C ATOM 696 O LEU A 47 11.477 -17.481 -22.130 1.00 52.20 O ATOM 697 CB LEU A 47 8.396 -17.434 -22.318 1.00 44.11 C ATOM 698 CG LEU A 47 7.265 -18.270 -21.719 1.00 62.41 C ATOM 699 CD1 LEU A 47 6.154 -18.474 -22.738 1.00 5.52 C ATOM 700 CD2 LEU A 47 7.794 -19.611 -21.230 1.00 5.31 C ATOM 0 H LEU A 47 7.907 -15.223 -21.342 1.00 51.01 H new ATOM 0 HA LEU A 47 9.458 -17.408 -20.450 1.00 1.34 H new ATOM 0 HB2 LEU A 47 7.955 -16.663 -22.949 1.00 44.11 H new ATOM 0 HB3 LEU A 47 8.991 -18.076 -22.967 1.00 44.11 H new ATOM 0 HG LEU A 47 6.854 -17.731 -20.866 1.00 62.41 H new ATOM 0 HD11 LEU A 47 5.358 -19.071 -22.294 1.00 5.52 H new ATOM 0 HD12 LEU A 47 5.755 -17.506 -23.041 1.00 5.52 H new ATOM 0 HD13 LEU A 47 6.552 -18.992 -23.611 1.00 5.52 H new ATOM 0 HD21 LEU A 47 6.975 -20.193 -20.807 1.00 5.31 H new ATOM 0 HD22 LEU A 47 8.232 -20.156 -22.066 1.00 5.31 H new ATOM 0 HD23 LEU A 47 8.554 -19.446 -20.466 1.00 5.31 H new ATOM 712 N LYS A 48 10.998 -15.289 -22.295 1.00 31.15 N ATOM 713 CA LYS A 48 12.275 -14.943 -22.908 1.00 75.44 C ATOM 714 C LYS A 48 13.290 -14.520 -21.851 1.00 73.44 C ATOM 715 O LYS A 48 14.497 -14.657 -22.047 1.00 51.43 O ATOM 716 CB LYS A 48 12.085 -13.818 -23.928 1.00 63.22 C ATOM 717 CG LYS A 48 13.391 -13.247 -24.453 1.00 62.22 C ATOM 718 CD LYS A 48 13.225 -12.665 -25.847 1.00 11.33 C ATOM 719 CE LYS A 48 14.481 -11.938 -26.301 1.00 5.24 C ATOM 720 NZ LYS A 48 14.753 -12.151 -27.749 1.00 60.12 N ATOM 0 H LYS A 48 10.369 -14.498 -22.158 1.00 31.15 H new ATOM 0 HA LYS A 48 12.657 -15.828 -23.418 1.00 75.44 H new ATOM 0 HB2 LYS A 48 11.499 -14.194 -24.767 1.00 63.22 H new ATOM 0 HB3 LYS A 48 11.506 -13.017 -23.469 1.00 63.22 H new ATOM 0 HG2 LYS A 48 13.749 -12.473 -23.775 1.00 62.22 H new ATOM 0 HG3 LYS A 48 14.150 -14.030 -24.472 1.00 62.22 H new ATOM 0 HD2 LYS A 48 12.992 -13.464 -26.551 1.00 11.33 H new ATOM 0 HD3 LYS A 48 12.381 -11.975 -25.856 1.00 11.33 H new ATOM 0 HE2 LYS A 48 14.374 -10.871 -26.105 1.00 5.24 H new ATOM 0 HE3 LYS A 48 15.333 -12.286 -25.717 1.00 5.24 H new ATOM 0 HZ1 LYS A 48 15.617 -11.639 -28.019 1.00 60.12 H new ATOM 0 HZ2 LYS A 48 14.881 -13.167 -27.933 1.00 60.12 H new ATOM 0 HZ3 LYS A 48 13.951 -11.796 -28.309 1.00 60.12 H new ATOM 734 N ALA A 49 12.792 -14.008 -20.731 1.00 33.13 N ATOM 735 CA ALA A 49 13.655 -13.569 -19.642 1.00 4.12 C ATOM 736 C ALA A 49 14.109 -14.750 -18.791 1.00 3.04 C ATOM 737 O ALA A 49 13.411 -15.759 -18.687 1.00 1.44 O ATOM 738 CB ALA A 49 12.937 -12.540 -18.781 1.00 24.33 C ATOM 0 H ALA A 49 11.795 -13.887 -20.554 1.00 33.13 H new ATOM 0 HA ALA A 49 14.541 -13.107 -20.077 1.00 4.12 H new ATOM 0 HB1 ALA A 49 13.594 -12.221 -17.972 1.00 24.33 H new ATOM 0 HB2 ALA A 49 12.669 -11.678 -19.392 1.00 24.33 H new ATOM 0 HB3 ALA A 49 12.033 -12.983 -18.362 1.00 24.33 H new ATOM 744 N LYS A 50 15.284 -14.619 -18.183 1.00 51.24 N ATOM 745 CA LYS A 50 15.832 -15.675 -17.340 1.00 51.42 C ATOM 746 C LYS A 50 15.706 -15.312 -15.864 1.00 31.41 C ATOM 747 O LYS A 50 15.678 -16.188 -14.999 1.00 31.43 O ATOM 748 CB LYS A 50 17.300 -15.925 -17.691 1.00 63.22 C ATOM 749 CG LYS A 50 17.514 -17.137 -18.582 1.00 45.40 C ATOM 750 CD LYS A 50 17.756 -16.731 -20.026 1.00 54.04 C ATOM 751 CE LYS A 50 17.549 -17.901 -20.976 1.00 30.11 C ATOM 752 NZ LYS A 50 16.228 -17.834 -21.660 1.00 33.05 N ATOM 0 H LYS A 50 15.875 -13.791 -18.259 1.00 51.24 H new ATOM 0 HA LYS A 50 15.261 -16.585 -17.523 1.00 51.42 H new ATOM 0 HB2 LYS A 50 17.701 -15.043 -18.189 1.00 63.22 H new ATOM 0 HB3 LYS A 50 17.868 -16.057 -16.770 1.00 63.22 H new ATOM 0 HG2 LYS A 50 18.365 -17.712 -18.217 1.00 45.40 H new ATOM 0 HG3 LYS A 50 16.642 -17.789 -18.527 1.00 45.40 H new ATOM 0 HD2 LYS A 50 17.081 -15.919 -20.295 1.00 54.04 H new ATOM 0 HD3 LYS A 50 18.772 -16.350 -20.133 1.00 54.04 H new ATOM 0 HE2 LYS A 50 18.344 -17.908 -21.722 1.00 30.11 H new ATOM 0 HE3 LYS A 50 17.624 -18.836 -20.422 1.00 30.11 H new ATOM 0 HZ1 LYS A 50 16.126 -18.649 -22.298 1.00 33.05 H new ATOM 0 HZ2 LYS A 50 15.468 -17.853 -20.950 1.00 33.05 H new ATOM 0 HZ3 LYS A 50 16.166 -16.954 -22.210 1.00 33.05 H new ATOM 766 N THR A 51 15.629 -14.015 -15.582 1.00 35.53 N ATOM 767 CA THR A 51 15.505 -13.538 -14.210 1.00 50.34 C ATOM 768 C THR A 51 14.665 -12.267 -14.144 1.00 64.05 C ATOM 769 O THR A 51 14.398 -11.635 -15.166 1.00 51.24 O ATOM 770 CB THR A 51 16.885 -13.260 -13.586 1.00 23.44 C ATOM 771 OG1 THR A 51 17.533 -12.190 -14.283 1.00 33.32 O ATOM 772 CG2 THR A 51 17.760 -14.504 -13.631 1.00 73.41 C ATOM 0 H THR A 51 15.650 -13.276 -16.285 1.00 35.53 H new ATOM 0 HA THR A 51 15.010 -14.327 -13.644 1.00 50.34 H new ATOM 0 HB THR A 51 16.736 -12.976 -12.544 1.00 23.44 H new ATOM 0 HG1 THR A 51 18.409 -12.019 -13.878 1.00 33.32 H new ATOM 0 HG21 THR A 51 18.730 -14.283 -13.185 1.00 73.41 H new ATOM 0 HG22 THR A 51 17.279 -15.308 -13.074 1.00 73.41 H new ATOM 0 HG23 THR A 51 17.899 -14.813 -14.667 1.00 73.41 H new ATOM 780 N ARG A 52 14.253 -11.898 -12.936 1.00 40.12 N ATOM 781 CA ARG A 52 13.443 -10.702 -12.738 1.00 20.13 C ATOM 782 C ARG A 52 14.096 -9.488 -13.393 1.00 32.33 C ATOM 783 O ARG A 52 13.411 -8.561 -13.826 1.00 64.33 O ATOM 784 CB ARG A 52 13.239 -10.441 -11.244 1.00 53.33 C ATOM 785 CG ARG A 52 14.474 -9.896 -10.547 1.00 3.23 C ATOM 786 CD ARG A 52 14.258 -9.772 -9.047 1.00 22.45 C ATOM 787 NE ARG A 52 14.608 -8.444 -8.551 1.00 23.14 N ATOM 788 CZ ARG A 52 15.857 -8.004 -8.446 1.00 64.30 C ATOM 789 NH1 ARG A 52 16.870 -8.783 -8.801 1.00 72.13 N ATOM 790 NH2 ARG A 52 16.096 -6.783 -7.986 1.00 14.24 N ATOM 0 H ARG A 52 14.467 -12.410 -12.080 1.00 40.12 H new ATOM 0 HA ARG A 52 12.473 -10.868 -13.207 1.00 20.13 H new ATOM 0 HB2 ARG A 52 12.419 -9.735 -11.116 1.00 53.33 H new ATOM 0 HB3 ARG A 52 12.939 -11.370 -10.759 1.00 53.33 H new ATOM 0 HG2 ARG A 52 15.322 -10.553 -10.740 1.00 3.23 H new ATOM 0 HG3 ARG A 52 14.726 -8.920 -10.961 1.00 3.23 H new ATOM 0 HD2 ARG A 52 13.215 -9.983 -8.812 1.00 22.45 H new ATOM 0 HD3 ARG A 52 14.858 -10.521 -8.531 1.00 22.45 H new ATOM 0 HE ARG A 52 13.852 -7.820 -8.270 1.00 23.14 H new ATOM 0 HH11 ARG A 52 16.691 -9.722 -9.156 1.00 72.13 H new ATOM 0 HH12 ARG A 52 17.828 -8.443 -8.719 1.00 72.13 H new ATOM 0 HH21 ARG A 52 15.320 -6.180 -7.712 1.00 14.24 H new ATOM 0 HH22 ARG A 52 17.056 -6.447 -7.906 1.00 14.24 H new ATOM 804 N ASP A 53 15.422 -9.501 -13.460 1.00 64.24 N ATOM 805 CA ASP A 53 16.168 -8.402 -14.063 1.00 20.22 C ATOM 806 C ASP A 53 15.971 -8.376 -15.575 1.00 75.23 C ATOM 807 O ASP A 53 15.666 -7.333 -16.153 1.00 21.14 O ATOM 808 CB ASP A 53 17.656 -8.526 -13.732 1.00 42.24 C ATOM 809 CG ASP A 53 18.341 -7.177 -13.631 1.00 52.12 C ATOM 810 OD1 ASP A 53 18.117 -6.330 -14.521 1.00 34.10 O ATOM 811 OD2 ASP A 53 19.101 -6.968 -12.663 1.00 24.33 O ATOM 0 H ASP A 53 16.003 -10.260 -13.104 1.00 64.24 H new ATOM 0 HA ASP A 53 15.788 -7.468 -13.650 1.00 20.22 H new ATOM 0 HB2 ASP A 53 17.772 -9.061 -12.789 1.00 42.24 H new ATOM 0 HB3 ASP A 53 18.148 -9.123 -14.500 1.00 42.24 H new ATOM 816 N GLU A 54 16.147 -9.531 -16.210 1.00 41.21 N ATOM 817 CA GLU A 54 15.990 -9.639 -17.656 1.00 0.33 C ATOM 818 C GLU A 54 14.636 -9.092 -18.098 1.00 51.42 C ATOM 819 O GLU A 54 14.558 -8.231 -18.975 1.00 64.25 O ATOM 820 CB GLU A 54 16.133 -11.096 -18.099 1.00 61.12 C ATOM 821 CG GLU A 54 16.332 -11.260 -19.597 1.00 4.14 C ATOM 822 CD GLU A 54 17.088 -12.527 -19.950 1.00 13.45 C ATOM 823 OE1 GLU A 54 18.087 -12.831 -19.265 1.00 32.04 O ATOM 824 OE2 GLU A 54 16.681 -13.213 -20.910 1.00 15.21 O ATOM 0 H GLU A 54 16.398 -10.404 -15.746 1.00 41.21 H new ATOM 0 HA GLU A 54 16.774 -9.045 -18.127 1.00 0.33 H new ATOM 0 HB2 GLU A 54 16.979 -11.544 -17.577 1.00 61.12 H new ATOM 0 HB3 GLU A 54 15.243 -11.648 -17.797 1.00 61.12 H new ATOM 0 HG2 GLU A 54 15.360 -11.272 -20.090 1.00 4.14 H new ATOM 0 HG3 GLU A 54 16.875 -10.398 -19.984 1.00 4.14 H new ATOM 831 N TYR A 55 13.571 -9.597 -17.485 1.00 65.43 N ATOM 832 CA TYR A 55 12.220 -9.163 -17.817 1.00 51.52 C ATOM 833 C TYR A 55 12.047 -7.670 -17.552 1.00 64.03 C ATOM 834 O TYR A 55 11.724 -6.900 -18.458 1.00 2.35 O ATOM 835 CB TYR A 55 11.193 -9.957 -17.009 1.00 70.40 C ATOM 836 CG TYR A 55 9.784 -9.420 -17.124 1.00 5.42 C ATOM 837 CD1 TYR A 55 8.988 -9.732 -18.219 1.00 31.03 C ATOM 838 CD2 TYR A 55 9.251 -8.599 -16.138 1.00 54.44 C ATOM 839 CE1 TYR A 55 7.701 -9.242 -18.328 1.00 73.54 C ATOM 840 CE2 TYR A 55 7.964 -8.106 -16.239 1.00 40.20 C ATOM 841 CZ TYR A 55 7.193 -8.430 -17.336 1.00 22.32 C ATOM 842 OH TYR A 55 5.912 -7.940 -17.440 1.00 74.24 O ATOM 0 H TYR A 55 13.618 -10.308 -16.755 1.00 65.43 H new ATOM 0 HA TYR A 55 12.058 -9.347 -18.879 1.00 51.52 H new ATOM 0 HB2 TYR A 55 11.205 -10.995 -17.342 1.00 70.40 H new ATOM 0 HB3 TYR A 55 11.489 -9.955 -15.960 1.00 70.40 H new ATOM 0 HD1 TYR A 55 9.382 -10.368 -18.998 1.00 31.03 H new ATOM 0 HD2 TYR A 55 9.852 -8.342 -15.279 1.00 54.44 H new ATOM 0 HE1 TYR A 55 7.096 -9.494 -19.186 1.00 73.54 H new ATOM 0 HE2 TYR A 55 7.564 -7.470 -15.463 1.00 40.20 H new ATOM 0 HH TYR A 55 5.381 -8.249 -16.677 1.00 74.24 H new ATOM 852 N LEU A 56 12.266 -7.268 -16.305 1.00 33.40 N ATOM 853 CA LEU A 56 12.136 -5.868 -15.918 1.00 54.34 C ATOM 854 C LEU A 56 12.928 -4.967 -16.861 1.00 12.14 C ATOM 855 O LEU A 56 12.553 -3.819 -17.099 1.00 5.35 O ATOM 856 CB LEU A 56 12.616 -5.669 -14.480 1.00 2.51 C ATOM 857 CG LEU A 56 11.591 -5.959 -13.383 1.00 52.34 C ATOM 858 CD1 LEU A 56 12.279 -6.494 -12.137 1.00 52.22 C ATOM 859 CD2 LEU A 56 10.790 -4.706 -13.057 1.00 23.32 C ATOM 0 H LEU A 56 12.535 -7.892 -15.544 1.00 33.40 H new ATOM 0 HA LEU A 56 11.083 -5.595 -15.983 1.00 54.34 H new ATOM 0 HB2 LEU A 56 13.484 -6.308 -14.316 1.00 2.51 H new ATOM 0 HB3 LEU A 56 12.954 -4.638 -14.370 1.00 2.51 H new ATOM 0 HG LEU A 56 10.903 -6.721 -13.748 1.00 52.34 H new ATOM 0 HD11 LEU A 56 11.534 -6.694 -11.367 1.00 52.22 H new ATOM 0 HD12 LEU A 56 12.807 -7.416 -12.380 1.00 52.22 H new ATOM 0 HD13 LEU A 56 12.991 -5.755 -11.769 1.00 52.22 H new ATOM 0 HD21 LEU A 56 10.065 -4.931 -12.274 1.00 23.32 H new ATOM 0 HD22 LEU A 56 11.465 -3.922 -12.713 1.00 23.32 H new ATOM 0 HD23 LEU A 56 10.266 -4.367 -13.950 1.00 23.32 H new ATOM 871 N SER A 57 14.023 -5.497 -17.396 1.00 2.42 N ATOM 872 CA SER A 57 14.869 -4.740 -18.311 1.00 63.02 C ATOM 873 C SER A 57 14.213 -4.620 -19.683 1.00 42.44 C ATOM 874 O SER A 57 14.008 -3.517 -20.192 1.00 12.42 O ATOM 875 CB SER A 57 16.238 -5.409 -18.445 1.00 24.41 C ATOM 876 OG SER A 57 17.063 -4.706 -19.357 1.00 43.33 O ATOM 0 H SER A 57 14.345 -6.447 -17.212 1.00 2.42 H new ATOM 0 HA SER A 57 15.000 -3.739 -17.901 1.00 63.02 H new ATOM 0 HB2 SER A 57 16.723 -5.451 -17.470 1.00 24.41 H new ATOM 0 HB3 SER A 57 16.112 -6.438 -18.783 1.00 24.41 H new ATOM 0 HG SER A 57 17.932 -5.153 -19.423 1.00 43.33 H new ATOM 882 N LEU A 58 13.887 -5.762 -20.278 1.00 54.30 N ATOM 883 CA LEU A 58 13.253 -5.786 -21.592 1.00 23.40 C ATOM 884 C LEU A 58 11.944 -5.005 -21.580 1.00 15.20 C ATOM 885 O LEU A 58 11.620 -4.300 -22.536 1.00 71.33 O ATOM 886 CB LEU A 58 12.995 -7.230 -22.029 1.00 3.54 C ATOM 887 CG LEU A 58 14.235 -8.102 -22.230 1.00 1.31 C ATOM 888 CD1 LEU A 58 13.854 -9.436 -22.852 1.00 52.24 C ATOM 889 CD2 LEU A 58 15.259 -7.381 -23.094 1.00 64.13 C ATOM 0 H LEU A 58 14.051 -6.683 -19.872 1.00 54.30 H new ATOM 0 HA LEU A 58 13.930 -5.313 -22.303 1.00 23.40 H new ATOM 0 HB2 LEU A 58 12.358 -7.706 -21.284 1.00 3.54 H new ATOM 0 HB3 LEU A 58 12.433 -7.211 -22.963 1.00 3.54 H new ATOM 0 HG LEU A 58 14.683 -8.294 -21.255 1.00 1.31 H new ATOM 0 HD11 LEU A 58 14.749 -10.043 -22.988 1.00 52.24 H new ATOM 0 HD12 LEU A 58 13.158 -9.958 -22.196 1.00 52.24 H new ATOM 0 HD13 LEU A 58 13.382 -9.265 -23.819 1.00 52.24 H new ATOM 0 HD21 LEU A 58 16.135 -8.016 -23.227 1.00 64.13 H new ATOM 0 HD22 LEU A 58 14.822 -7.158 -24.067 1.00 64.13 H new ATOM 0 HD23 LEU A 58 15.555 -6.451 -22.608 1.00 64.13 H new ATOM 901 N VAL A 59 11.194 -5.133 -20.490 1.00 1.54 N ATOM 902 CA VAL A 59 9.921 -4.436 -20.351 1.00 52.30 C ATOM 903 C VAL A 59 10.119 -2.924 -20.349 1.00 70.12 C ATOM 904 O VAL A 59 9.582 -2.217 -21.201 1.00 43.41 O ATOM 905 CB VAL A 59 9.193 -4.849 -19.058 1.00 52.40 C ATOM 906 CG1 VAL A 59 7.886 -4.084 -18.914 1.00 35.52 C ATOM 907 CG2 VAL A 59 8.947 -6.350 -19.042 1.00 1.35 C ATOM 0 H VAL A 59 11.446 -5.713 -19.690 1.00 1.54 H new ATOM 0 HA VAL A 59 9.311 -4.718 -21.209 1.00 52.30 H new ATOM 0 HB VAL A 59 9.828 -4.599 -18.208 1.00 52.40 H new ATOM 0 HG11 VAL A 59 7.385 -4.389 -17.995 1.00 35.52 H new ATOM 0 HG12 VAL A 59 8.093 -3.014 -18.877 1.00 35.52 H new ATOM 0 HG13 VAL A 59 7.242 -4.300 -19.767 1.00 35.52 H new ATOM 0 HG21 VAL A 59 8.432 -6.624 -18.121 1.00 1.35 H new ATOM 0 HG22 VAL A 59 8.332 -6.627 -19.898 1.00 1.35 H new ATOM 0 HG23 VAL A 59 9.900 -6.876 -19.095 1.00 1.35 H new ATOM 917 N ALA A 60 10.894 -2.436 -19.386 1.00 51.44 N ATOM 918 CA ALA A 60 11.165 -1.008 -19.275 1.00 4.11 C ATOM 919 C ALA A 60 11.653 -0.436 -20.602 1.00 75.41 C ATOM 920 O ALA A 60 11.115 0.555 -21.096 1.00 64.03 O ATOM 921 CB ALA A 60 12.189 -0.749 -18.179 1.00 70.32 C ATOM 0 H ALA A 60 11.345 -3.008 -18.672 1.00 51.44 H new ATOM 0 HA ALA A 60 10.233 -0.506 -19.014 1.00 4.11 H new ATOM 0 HB1 ALA A 60 12.382 0.321 -18.107 1.00 70.32 H new ATOM 0 HB2 ALA A 60 11.803 -1.113 -17.227 1.00 70.32 H new ATOM 0 HB3 ALA A 60 13.116 -1.270 -18.417 1.00 70.32 H new ATOM 927 N ARG A 61 12.673 -1.067 -21.174 1.00 30.42 N ATOM 928 CA ARG A 61 13.234 -0.620 -22.443 1.00 54.00 C ATOM 929 C ARG A 61 12.137 -0.439 -23.488 1.00 54.31 C ATOM 930 O ARG A 61 12.125 0.546 -24.227 1.00 41.45 O ATOM 931 CB ARG A 61 14.273 -1.623 -22.948 1.00 11.33 C ATOM 932 CG ARG A 61 15.383 -0.988 -23.770 1.00 13.14 C ATOM 933 CD ARG A 61 16.061 -2.008 -24.671 1.00 4.42 C ATOM 934 NE ARG A 61 17.466 -2.200 -24.319 1.00 34.42 N ATOM 935 CZ ARG A 61 18.418 -1.312 -24.582 1.00 32.34 C ATOM 936 NH1 ARG A 61 18.118 -0.176 -25.195 1.00 51.04 N ATOM 937 NH2 ARG A 61 19.673 -1.560 -24.230 1.00 0.12 N ATOM 0 H ARG A 61 13.128 -1.890 -20.778 1.00 30.42 H new ATOM 0 HA ARG A 61 13.718 0.342 -22.278 1.00 54.00 H new ATOM 0 HB2 ARG A 61 14.714 -2.138 -22.094 1.00 11.33 H new ATOM 0 HB3 ARG A 61 13.772 -2.379 -23.552 1.00 11.33 H new ATOM 0 HG2 ARG A 61 14.972 -0.181 -24.377 1.00 13.14 H new ATOM 0 HG3 ARG A 61 16.121 -0.542 -23.104 1.00 13.14 H new ATOM 0 HD2 ARG A 61 15.536 -2.961 -24.600 1.00 4.42 H new ATOM 0 HD3 ARG A 61 15.988 -1.681 -25.708 1.00 4.42 H new ATOM 0 HE ARG A 61 17.730 -3.064 -23.845 1.00 34.42 H new ATOM 0 HH11 ARG A 61 17.154 0.018 -25.466 1.00 51.04 H new ATOM 0 HH12 ARG A 61 18.851 0.504 -25.396 1.00 51.04 H new ATOM 0 HH21 ARG A 61 19.907 -2.433 -23.757 1.00 0.12 H new ATOM 0 HH22 ARG A 61 20.404 -0.878 -24.432 1.00 0.12 H new ATOM 951 N LEU A 62 11.217 -1.395 -23.544 1.00 75.32 N ATOM 952 CA LEU A 62 10.115 -1.342 -24.499 1.00 72.11 C ATOM 953 C LEU A 62 9.221 -0.135 -24.233 1.00 45.31 C ATOM 954 O LEU A 62 8.927 0.644 -25.141 1.00 21.34 O ATOM 955 CB LEU A 62 9.289 -2.628 -24.427 1.00 40.30 C ATOM 956 CG LEU A 62 9.006 -3.319 -25.761 1.00 61.41 C ATOM 957 CD1 LEU A 62 8.808 -4.813 -25.556 1.00 71.23 C ATOM 958 CD2 LEU A 62 7.787 -2.705 -26.432 1.00 54.24 C ATOM 0 H LEU A 62 11.212 -2.217 -22.940 1.00 75.32 H new ATOM 0 HA LEU A 62 10.538 -1.244 -25.499 1.00 72.11 H new ATOM 0 HB2 LEU A 62 9.808 -3.334 -23.778 1.00 40.30 H new ATOM 0 HB3 LEU A 62 8.336 -2.398 -23.950 1.00 40.30 H new ATOM 0 HG LEU A 62 9.867 -3.173 -26.414 1.00 61.41 H new ATOM 0 HD11 LEU A 62 8.608 -5.289 -26.516 1.00 71.23 H new ATOM 0 HD12 LEU A 62 9.709 -5.243 -25.119 1.00 71.23 H new ATOM 0 HD13 LEU A 62 7.965 -4.980 -24.886 1.00 71.23 H new ATOM 0 HD21 LEU A 62 7.601 -3.209 -27.380 1.00 54.24 H new ATOM 0 HD22 LEU A 62 6.918 -2.819 -25.783 1.00 54.24 H new ATOM 0 HD23 LEU A 62 7.967 -1.645 -26.614 1.00 54.24 H new ATOM 970 N ILE A 63 8.795 0.016 -22.984 1.00 23.54 N ATOM 971 CA ILE A 63 7.939 1.130 -22.598 1.00 34.00 C ATOM 972 C ILE A 63 8.615 2.467 -22.882 1.00 32.01 C ATOM 973 O ILE A 63 8.056 3.323 -23.569 1.00 22.05 O ATOM 974 CB ILE A 63 7.565 1.063 -21.105 1.00 65.03 C ATOM 975 CG1 ILE A 63 6.610 -0.104 -20.848 1.00 13.10 C ATOM 976 CG2 ILE A 63 6.941 2.375 -20.656 1.00 53.41 C ATOM 977 CD1 ILE A 63 6.315 -0.331 -19.382 1.00 35.11 C ATOM 0 H ILE A 63 9.029 -0.620 -22.221 1.00 23.54 H new ATOM 0 HA ILE A 63 7.031 1.051 -23.195 1.00 34.00 H new ATOM 0 HB ILE A 63 8.473 0.899 -20.525 1.00 65.03 H new ATOM 0 HG12 ILE A 63 5.674 0.081 -21.374 1.00 13.10 H new ATOM 0 HG13 ILE A 63 7.039 -1.013 -21.269 1.00 13.10 H new ATOM 0 HG21 ILE A 63 6.682 2.312 -19.599 1.00 53.41 H new ATOM 0 HG22 ILE A 63 7.652 3.187 -20.808 1.00 53.41 H new ATOM 0 HG23 ILE A 63 6.041 2.568 -21.239 1.00 53.41 H new ATOM 0 HD11 ILE A 63 5.632 -1.173 -19.275 1.00 35.11 H new ATOM 0 HD12 ILE A 63 7.243 -0.547 -18.853 1.00 35.11 H new ATOM 0 HD13 ILE A 63 5.857 0.564 -18.960 1.00 35.11 H new ATOM 989 N ILE A 64 9.821 2.638 -22.351 1.00 14.43 N ATOM 990 CA ILE A 64 10.574 3.870 -22.550 1.00 3.14 C ATOM 991 C ILE A 64 10.648 4.237 -24.028 1.00 33.01 C ATOM 992 O ILE A 64 10.499 5.402 -24.398 1.00 11.23 O ATOM 993 CB ILE A 64 12.004 3.752 -21.990 1.00 22.31 C ATOM 994 CG1 ILE A 64 11.972 3.665 -20.463 1.00 30.03 C ATOM 995 CG2 ILE A 64 12.849 4.934 -22.441 1.00 61.31 C ATOM 996 CD1 ILE A 64 12.825 2.548 -19.903 1.00 13.13 C ATOM 0 H ILE A 64 10.297 1.940 -21.780 1.00 14.43 H new ATOM 0 HA ILE A 64 10.044 4.654 -22.010 1.00 3.14 H new ATOM 0 HB ILE A 64 12.456 2.839 -22.378 1.00 22.31 H new ATOM 0 HG12 ILE A 64 12.310 4.614 -20.046 1.00 30.03 H new ATOM 0 HG13 ILE A 64 10.942 3.523 -20.137 1.00 30.03 H new ATOM 0 HG21 ILE A 64 13.857 4.836 -22.037 1.00 61.31 H new ATOM 0 HG22 ILE A 64 12.895 4.954 -23.530 1.00 61.31 H new ATOM 0 HG23 ILE A 64 12.402 5.860 -22.080 1.00 61.31 H new ATOM 0 HD11 ILE A 64 12.754 2.546 -18.815 1.00 13.13 H new ATOM 0 HD12 ILE A 64 12.473 1.592 -20.291 1.00 13.13 H new ATOM 0 HD13 ILE A 64 13.863 2.700 -20.199 1.00 13.13 H new ATOM 1008 N HIS A 65 10.877 3.234 -24.870 1.00 55.42 N ATOM 1009 CA HIS A 65 10.967 3.451 -26.310 1.00 22.12 C ATOM 1010 C HIS A 65 9.650 3.988 -26.862 1.00 62.55 C ATOM 1011 O HIS A 65 9.639 4.844 -27.747 1.00 4.12 O ATOM 1012 CB HIS A 65 11.339 2.149 -27.020 1.00 42.22 C ATOM 1013 CG HIS A 65 12.353 2.329 -28.108 1.00 54.02 C ATOM 1014 ND1 HIS A 65 13.686 2.012 -27.955 1.00 12.11 N ATOM 1015 CD2 HIS A 65 12.221 2.795 -29.372 1.00 62.34 C ATOM 1016 CE1 HIS A 65 14.331 2.277 -29.077 1.00 31.41 C ATOM 1017 NE2 HIS A 65 13.465 2.752 -29.953 1.00 53.33 N ATOM 0 H HIS A 65 11.003 2.264 -24.581 1.00 55.42 H new ATOM 0 HA HIS A 65 11.746 4.191 -26.494 1.00 22.12 H new ATOM 0 HB2 HIS A 65 11.727 1.443 -26.286 1.00 42.22 H new ATOM 0 HB3 HIS A 65 10.438 1.706 -27.444 1.00 42.22 H new ATOM 0 HD2 HIS A 65 11.308 3.137 -29.837 1.00 62.34 H new ATOM 0 HE1 HIS A 65 15.387 2.130 -29.248 1.00 31.41 H new ATOM 0 HE2 HIS A 65 13.684 3.040 -30.907 1.00 53.33 H new ATOM 1025 N PHE A 66 8.542 3.478 -26.336 1.00 73.42 N ATOM 1026 CA PHE A 66 7.219 3.904 -26.778 1.00 41.31 C ATOM 1027 C PHE A 66 6.991 5.380 -26.465 1.00 40.22 C ATOM 1028 O PHE A 66 6.412 6.113 -27.267 1.00 43.51 O ATOM 1029 CB PHE A 66 6.136 3.056 -26.108 1.00 40.04 C ATOM 1030 CG PHE A 66 5.799 1.805 -26.868 1.00 63.11 C ATOM 1031 CD1 PHE A 66 5.468 1.863 -28.212 1.00 71.23 C ATOM 1032 CD2 PHE A 66 5.815 0.571 -26.238 1.00 74.24 C ATOM 1033 CE1 PHE A 66 5.157 0.713 -28.913 1.00 52.13 C ATOM 1034 CE2 PHE A 66 5.505 -0.582 -26.934 1.00 71.55 C ATOM 1035 CZ PHE A 66 5.177 -0.511 -28.274 1.00 74.11 C ATOM 0 H PHE A 66 8.533 2.769 -25.603 1.00 73.42 H new ATOM 0 HA PHE A 66 7.162 3.766 -27.858 1.00 41.31 H new ATOM 0 HB2 PHE A 66 6.467 2.785 -25.105 1.00 40.04 H new ATOM 0 HB3 PHE A 66 5.234 3.657 -25.994 1.00 40.04 H new ATOM 0 HD1 PHE A 66 5.453 2.817 -28.718 1.00 71.23 H new ATOM 0 HD2 PHE A 66 6.073 0.510 -25.191 1.00 74.24 H new ATOM 0 HE1 PHE A 66 4.898 0.772 -29.960 1.00 52.13 H new ATOM 0 HE2 PHE A 66 5.519 -1.538 -26.431 1.00 71.55 H new ATOM 0 HZ PHE A 66 4.937 -1.411 -28.821 1.00 74.11 H new