USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 512 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 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0949 K(o=-0.095,f=-0.98) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.00357) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -126:sc= 1.23 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.237 X(o=0.24,f=-0.058) USER MOD Single : A 60 THR OG1 : rot -32:sc= 0.833 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N ILE A 10 1.004 -11.756 6.401 1.00 73.32 N ATOM 130 CA ILE A 10 1.957 -10.763 5.922 1.00 21.15 C ATOM 131 C ILE A 10 2.393 -9.832 7.049 1.00 74.14 C ATOM 132 O ILE A 10 1.656 -8.926 7.440 1.00 3.30 O ATOM 133 CB ILE A 10 1.366 -9.922 4.776 1.00 62.14 C ATOM 134 CG1 ILE A 10 0.965 -10.824 3.607 1.00 61.01 C ATOM 135 CG2 ILE A 10 2.366 -8.870 4.321 1.00 4.41 C ATOM 136 CD1 ILE A 10 0.405 -10.067 2.423 1.00 3.41 C ATOM 0 HA ILE A 10 2.823 -11.310 5.550 1.00 21.15 H new ATOM 0 HB ILE A 10 0.474 -9.413 5.141 1.00 62.14 H new ATOM 0 HG12 ILE A 10 1.836 -11.395 3.284 1.00 61.01 H new ATOM 0 HG13 ILE A 10 0.222 -11.543 3.952 1.00 61.01 H new ATOM 0 HG21 ILE A 10 1.934 -8.283 3.510 1.00 4.41 H new ATOM 0 HG22 ILE A 10 2.607 -8.212 5.156 1.00 4.41 H new ATOM 0 HG23 ILE A 10 3.275 -9.359 3.970 1.00 4.41 H new ATOM 0 HD11 ILE A 10 0.143 -10.770 1.633 1.00 3.41 H new ATOM 0 HD12 ILE A 10 -0.485 -9.518 2.730 1.00 3.41 H new ATOM 0 HD13 ILE A 10 1.153 -9.367 2.052 1.00 3.41 H new ATOM 148 N THR A 11 3.595 -10.060 7.567 1.00 44.02 N ATOM 149 CA THR A 11 4.131 -9.242 8.648 1.00 72.04 C ATOM 150 C THR A 11 4.694 -7.929 8.117 1.00 54.12 C ATOM 151 O THR A 11 5.804 -7.889 7.585 1.00 13.04 O ATOM 152 CB THR A 11 5.235 -9.986 9.422 1.00 40.24 C ATOM 153 OG1 THR A 11 4.823 -11.329 9.694 1.00 61.23 O ATOM 154 CG2 THR A 11 5.555 -9.273 10.727 1.00 21.14 C ATOM 0 H THR A 11 4.217 -10.806 7.255 1.00 44.02 H new ATOM 0 HA THR A 11 3.303 -9.031 9.325 1.00 72.04 H new ATOM 0 HB THR A 11 6.134 -10.001 8.805 1.00 40.24 H new ATOM 0 HG1 THR A 11 5.531 -11.795 10.185 1.00 61.23 H new ATOM 0 HG21 THR A 11 6.337 -9.817 11.256 1.00 21.14 H new ATOM 0 HG22 THR A 11 5.897 -8.260 10.514 1.00 21.14 H new ATOM 0 HG23 THR A 11 4.660 -9.230 11.347 1.00 21.14 H new ATOM 162 N TRP A 12 3.923 -6.858 8.263 1.00 50.02 N ATOM 163 CA TRP A 12 4.347 -5.542 7.797 1.00 33.05 C ATOM 164 C TRP A 12 5.444 -4.976 8.692 1.00 53.10 C ATOM 165 O TRP A 12 5.174 -4.491 9.791 1.00 33.24 O ATOM 166 CB TRP A 12 3.156 -4.583 7.762 1.00 54.33 C ATOM 167 CG TRP A 12 2.103 -4.980 6.772 1.00 43.22 C ATOM 168 CD1 TRP A 12 0.981 -5.717 7.020 1.00 72.35 C ATOM 169 CD2 TRP A 12 2.076 -4.662 5.375 1.00 24.22 C ATOM 170 NE1 TRP A 12 0.258 -5.878 5.861 1.00 11.13 N ATOM 171 CE2 TRP A 12 0.908 -5.239 4.839 1.00 42.21 C ATOM 172 CE3 TRP A 12 2.924 -3.945 4.527 1.00 71.44 C ATOM 173 CZ2 TRP A 12 0.571 -5.121 3.494 1.00 52.52 C ATOM 174 CZ3 TRP A 12 2.588 -3.829 3.192 1.00 54.04 C ATOM 175 CH2 TRP A 12 1.418 -4.413 2.686 1.00 22.11 C ATOM 0 H TRP A 12 3.001 -6.874 8.700 1.00 50.02 H new ATOM 0 HA TRP A 12 4.746 -5.652 6.789 1.00 33.05 H new ATOM 0 HB2 TRP A 12 2.710 -4.532 8.755 1.00 54.33 H new ATOM 0 HB3 TRP A 12 3.512 -3.581 7.521 1.00 54.33 H new ATOM 0 HD1 TRP A 12 0.702 -6.115 7.984 1.00 72.35 H new ATOM 0 HE1 TRP A 12 -0.620 -6.390 5.776 1.00 11.13 H new ATOM 0 HE3 TRP A 12 3.826 -3.490 4.908 1.00 71.44 H new ATOM 0 HZ2 TRP A 12 -0.328 -5.573 3.102 1.00 52.52 H new ATOM 0 HZ3 TRP A 12 3.237 -3.279 2.527 1.00 54.04 H new ATOM 0 HH2 TRP A 12 1.181 -4.302 1.638 1.00 22.11 H new ATOM 186 N ARG A 13 6.682 -5.040 8.214 1.00 4.42 N ATOM 187 CA ARG A 13 7.821 -4.534 8.973 1.00 54.44 C ATOM 188 C ARG A 13 8.116 -3.083 8.606 1.00 3.45 C ATOM 189 O ARG A 13 7.620 -2.570 7.602 1.00 35.14 O ATOM 190 CB ARG A 13 9.057 -5.398 8.715 1.00 51.53 C ATOM 191 CG ARG A 13 9.052 -6.711 9.479 1.00 41.24 C ATOM 192 CD ARG A 13 10.132 -7.655 8.972 1.00 10.53 C ATOM 193 NE ARG A 13 10.958 -8.175 10.058 1.00 13.34 N ATOM 194 CZ ARG A 13 10.596 -9.190 10.835 1.00 40.12 C ATOM 195 NH1 ARG A 13 9.429 -9.790 10.645 1.00 21.44 N ATOM 196 NH2 ARG A 13 11.403 -9.607 11.803 1.00 54.12 N ATOM 0 H ARG A 13 6.923 -5.437 7.306 1.00 4.42 H new ATOM 0 HA ARG A 13 7.569 -4.579 10.033 1.00 54.44 H new ATOM 0 HB2 ARG A 13 9.126 -5.609 7.648 1.00 51.53 H new ATOM 0 HB3 ARG A 13 9.948 -4.833 8.987 1.00 51.53 H new ATOM 0 HG2 ARG A 13 9.206 -6.516 10.540 1.00 41.24 H new ATOM 0 HG3 ARG A 13 8.076 -7.187 9.381 1.00 41.24 H new ATOM 0 HD2 ARG A 13 9.667 -8.485 8.440 1.00 10.53 H new ATOM 0 HD3 ARG A 13 10.764 -7.131 8.255 1.00 10.53 H new ATOM 0 HE ARG A 13 11.862 -7.735 10.229 1.00 13.34 H new ATOM 0 HH11 ARG A 13 8.807 -9.472 9.901 1.00 21.44 H new ATOM 0 HH12 ARG A 13 9.153 -10.569 11.243 1.00 21.44 H new ATOM 0 HH21 ARG A 13 12.302 -9.148 11.951 1.00 54.12 H new ATOM 0 HH22 ARG A 13 11.124 -10.386 12.399 1.00 54.12 H new ATOM 210 N LYS A 14 8.926 -2.423 9.428 1.00 62.12 N ATOM 211 CA LYS A 14 9.289 -1.031 9.192 1.00 43.44 C ATOM 212 C LYS A 14 9.937 -0.862 7.820 1.00 31.43 C ATOM 213 O LYS A 14 9.763 0.163 7.164 1.00 0.42 O ATOM 214 CB LYS A 14 10.243 -0.539 10.281 1.00 0.12 C ATOM 215 CG LYS A 14 10.533 0.950 10.209 1.00 2.15 C ATOM 216 CD LYS A 14 10.911 1.512 11.569 1.00 15.55 C ATOM 217 CE LYS A 14 12.300 2.130 11.552 1.00 30.52 C ATOM 218 NZ LYS A 14 12.973 2.019 12.876 1.00 65.42 N ATOM 0 H LYS A 14 9.344 -2.831 10.264 1.00 62.12 H new ATOM 0 HA LYS A 14 8.377 -0.435 9.220 1.00 43.44 H new ATOM 0 HB2 LYS A 14 9.817 -0.771 11.257 1.00 0.12 H new ATOM 0 HB3 LYS A 14 11.182 -1.087 10.205 1.00 0.12 H new ATOM 0 HG2 LYS A 14 11.343 1.130 9.502 1.00 2.15 H new ATOM 0 HG3 LYS A 14 9.656 1.474 9.829 1.00 2.15 H new ATOM 0 HD2 LYS A 14 10.181 2.264 11.868 1.00 15.55 H new ATOM 0 HD3 LYS A 14 10.874 0.718 12.315 1.00 15.55 H new ATOM 0 HE2 LYS A 14 12.908 1.637 10.793 1.00 30.52 H new ATOM 0 HE3 LYS A 14 12.227 3.180 11.269 1.00 30.52 H new ATOM 0 HZ1 LYS A 14 13.917 2.452 12.823 1.00 65.42 H new ATOM 0 HZ2 LYS A 14 12.406 2.511 13.596 1.00 65.42 H new ATOM 0 HZ3 LYS A 14 13.066 1.016 13.135 1.00 65.42 H new ATOM 232 N GLN A 15 10.682 -1.878 7.394 1.00 3.55 N ATOM 233 CA GLN A 15 11.355 -1.840 6.101 1.00 72.32 C ATOM 234 C GLN A 15 10.385 -2.178 4.974 1.00 44.25 C ATOM 235 O GLN A 15 10.388 -1.532 3.925 1.00 30.45 O ATOM 236 CB GLN A 15 12.532 -2.817 6.087 1.00 51.31 C ATOM 237 CG GLN A 15 13.322 -2.837 7.385 1.00 12.41 C ATOM 238 CD GLN A 15 14.820 -2.834 7.157 1.00 45.24 C ATOM 239 OE1 GLN A 15 15.299 -3.229 6.093 1.00 33.02 O ATOM 240 NE2 GLN A 15 15.571 -2.387 8.157 1.00 65.13 N ATOM 0 H GLN A 15 10.834 -2.736 7.925 1.00 3.55 H new ATOM 0 HA GLN A 15 11.730 -0.829 5.943 1.00 72.32 H new ATOM 0 HB2 GLN A 15 12.158 -3.820 5.884 1.00 51.31 H new ATOM 0 HB3 GLN A 15 13.202 -2.554 5.268 1.00 51.31 H new ATOM 0 HG2 GLN A 15 13.048 -1.970 7.986 1.00 12.41 H new ATOM 0 HG3 GLN A 15 13.048 -3.722 7.959 1.00 12.41 H new ATOM 0 HE21 GLN A 15 15.133 -2.069 9.021 1.00 65.13 H new ATOM 0 HE22 GLN A 15 16.586 -2.361 8.061 1.00 65.13 H new ATOM 249 N ASP A 16 9.556 -3.192 5.196 1.00 64.22 N ATOM 250 CA ASP A 16 8.581 -3.616 4.199 1.00 54.52 C ATOM 251 C ASP A 16 7.748 -2.431 3.717 1.00 45.22 C ATOM 252 O ASP A 16 7.448 -2.313 2.528 1.00 4.42 O ATOM 253 CB ASP A 16 7.666 -4.697 4.776 1.00 12.33 C ATOM 254 CG ASP A 16 8.360 -6.039 4.896 1.00 5.24 C ATOM 255 OD1 ASP A 16 9.608 -6.065 4.866 1.00 74.44 O ATOM 256 OD2 ASP A 16 7.655 -7.063 5.021 1.00 4.10 O ATOM 0 H ASP A 16 9.540 -3.736 6.059 1.00 64.22 H new ATOM 0 HA ASP A 16 9.123 -4.027 3.348 1.00 54.52 H new ATOM 0 HB2 ASP A 16 7.314 -4.384 5.759 1.00 12.33 H new ATOM 0 HB3 ASP A 16 6.786 -4.802 4.141 1.00 12.33 H new ATOM 261 N LEU A 17 7.377 -1.559 4.647 1.00 15.31 N ATOM 262 CA LEU A 17 6.577 -0.383 4.318 1.00 44.21 C ATOM 263 C LEU A 17 7.365 0.582 3.437 1.00 3.15 C ATOM 264 O LEU A 17 6.793 1.291 2.609 1.00 62.10 O ATOM 265 CB LEU A 17 6.127 0.326 5.595 1.00 34.54 C ATOM 266 CG LEU A 17 4.711 0.008 6.077 1.00 71.14 C ATOM 267 CD1 LEU A 17 3.689 0.389 5.016 1.00 32.32 C ATOM 268 CD2 LEU A 17 4.587 -1.467 6.432 1.00 24.35 C ATOM 0 H LEU A 17 7.617 -1.643 5.635 1.00 15.31 H new ATOM 0 HA LEU A 17 5.698 -0.715 3.766 1.00 44.21 H new ATOM 0 HB2 LEU A 17 6.826 0.073 6.392 1.00 34.54 H new ATOM 0 HB3 LEU A 17 6.202 1.402 5.435 1.00 34.54 H new ATOM 0 HG LEU A 17 4.512 0.595 6.973 1.00 71.14 H new ATOM 0 HD11 LEU A 17 2.687 0.156 5.376 1.00 32.32 H new ATOM 0 HD12 LEU A 17 3.761 1.457 4.808 1.00 32.32 H new ATOM 0 HD13 LEU A 17 3.886 -0.172 4.103 1.00 32.32 H new ATOM 0 HD21 LEU A 17 3.573 -1.675 6.773 1.00 24.35 H new ATOM 0 HD22 LEU A 17 4.806 -2.073 5.552 1.00 24.35 H new ATOM 0 HD23 LEU A 17 5.294 -1.711 7.225 1.00 24.35 H new ATOM 280 N ASP A 18 8.681 0.603 3.623 1.00 54.34 N ATOM 281 CA ASP A 18 9.548 1.479 2.844 1.00 43.31 C ATOM 282 C ASP A 18 9.304 1.297 1.349 1.00 14.43 C ATOM 283 O ASP A 18 9.244 2.270 0.596 1.00 14.24 O ATOM 284 CB ASP A 18 11.017 1.200 3.170 1.00 32.12 C ATOM 285 CG ASP A 18 11.834 2.471 3.295 1.00 53.03 C ATOM 286 OD1 ASP A 18 11.973 3.189 2.282 1.00 1.42 O ATOM 287 OD2 ASP A 18 12.332 2.748 4.406 1.00 65.05 O ATOM 0 H ASP A 18 9.170 0.024 4.306 1.00 54.34 H new ATOM 0 HA ASP A 18 9.313 2.510 3.110 1.00 43.31 H new ATOM 0 HB2 ASP A 18 11.079 0.639 4.102 1.00 32.12 H new ATOM 0 HB3 ASP A 18 11.446 0.571 2.390 1.00 32.12 H new ATOM 292 N ARG A 19 9.164 0.045 0.926 1.00 53.23 N ATOM 293 CA ARG A 19 8.927 -0.264 -0.480 1.00 23.10 C ATOM 294 C ARG A 19 7.533 0.183 -0.908 1.00 40.44 C ATOM 295 O ARG A 19 7.368 0.836 -1.940 1.00 70.00 O ATOM 296 CB ARG A 19 9.092 -1.764 -0.728 1.00 33.40 C ATOM 297 CG ARG A 19 9.230 -2.128 -2.198 1.00 15.32 C ATOM 298 CD ARG A 19 10.231 -3.254 -2.402 1.00 12.33 C ATOM 299 NE ARG A 19 9.856 -4.459 -1.666 1.00 21.11 N ATOM 300 CZ ARG A 19 10.548 -5.591 -1.709 1.00 24.11 C ATOM 301 NH1 ARG A 19 11.647 -5.673 -2.447 1.00 53.33 N ATOM 302 NH2 ARG A 19 10.144 -6.644 -1.011 1.00 74.51 N ATOM 0 H ARG A 19 9.210 -0.771 1.536 1.00 53.23 H new ATOM 0 HA ARG A 19 9.662 0.279 -1.075 1.00 23.10 H new ATOM 0 HB2 ARG A 19 9.972 -2.118 -0.191 1.00 33.40 H new ATOM 0 HB3 ARG A 19 8.232 -2.289 -0.312 1.00 33.40 H new ATOM 0 HG2 ARG A 19 8.259 -2.427 -2.592 1.00 15.32 H new ATOM 0 HG3 ARG A 19 9.547 -1.251 -2.763 1.00 15.32 H new ATOM 0 HD2 ARG A 19 10.304 -3.486 -3.464 1.00 12.33 H new ATOM 0 HD3 ARG A 19 11.218 -2.924 -2.079 1.00 12.33 H new ATOM 0 HE ARG A 19 9.017 -4.429 -1.087 1.00 21.11 H new ATOM 0 HH11 ARG A 19 11.963 -4.865 -2.983 1.00 53.33 H new ATOM 0 HH12 ARG A 19 12.177 -6.544 -2.478 1.00 53.33 H new ATOM 0 HH21 ARG A 19 9.301 -6.585 -0.440 1.00 74.51 H new ATOM 0 HH22 ARG A 19 10.677 -7.513 -1.045 1.00 74.51 H new ATOM 316 N LEU A 20 6.532 -0.172 -0.110 1.00 33.34 N ATOM 317 CA LEU A 20 5.151 0.192 -0.406 1.00 12.24 C ATOM 318 C LEU A 20 5.002 1.705 -0.537 1.00 5.24 C ATOM 319 O LEU A 20 4.537 2.209 -1.559 1.00 20.04 O ATOM 320 CB LEU A 20 4.219 -0.330 0.688 1.00 2.00 C ATOM 321 CG LEU A 20 2.725 -0.090 0.468 1.00 32.43 C ATOM 322 CD1 LEU A 20 2.238 -0.845 -0.759 1.00 60.13 C ATOM 323 CD2 LEU A 20 1.932 -0.504 1.699 1.00 13.23 C ATOM 0 H LEU A 20 6.651 -0.712 0.747 1.00 33.34 H new ATOM 0 HA LEU A 20 4.877 -0.265 -1.357 1.00 12.24 H new ATOM 0 HB2 LEU A 20 4.382 -1.402 0.795 1.00 2.00 H new ATOM 0 HB3 LEU A 20 4.506 0.132 1.633 1.00 2.00 H new ATOM 0 HG LEU A 20 2.569 0.976 0.300 1.00 32.43 H new ATOM 0 HD11 LEU A 20 1.173 -0.662 -0.900 1.00 60.13 H new ATOM 0 HD12 LEU A 20 2.784 -0.502 -1.638 1.00 60.13 H new ATOM 0 HD13 LEU A 20 2.408 -1.913 -0.620 1.00 60.13 H new ATOM 0 HD21 LEU A 20 0.871 -0.326 1.525 1.00 13.23 H new ATOM 0 HD22 LEU A 20 2.095 -1.563 1.897 1.00 13.23 H new ATOM 0 HD23 LEU A 20 2.262 0.081 2.558 1.00 13.23 H new ATOM 335 N LYS A 21 5.404 2.426 0.505 1.00 61.41 N ATOM 336 CA LYS A 21 5.320 3.882 0.508 1.00 75.53 C ATOM 337 C LYS A 21 5.971 4.466 -0.742 1.00 31.52 C ATOM 338 O LYS A 21 5.568 5.523 -1.227 1.00 13.51 O ATOM 339 CB LYS A 21 5.992 4.450 1.759 1.00 62.41 C ATOM 340 CG LYS A 21 5.758 5.938 1.953 1.00 30.11 C ATOM 341 CD LYS A 21 6.649 6.505 3.045 1.00 53.11 C ATOM 342 CE LYS A 21 6.092 7.807 3.598 1.00 11.43 C ATOM 343 NZ LYS A 21 6.763 8.996 3.002 1.00 21.52 N ATOM 0 H LYS A 21 5.792 2.025 1.359 1.00 61.41 H new ATOM 0 HA LYS A 21 4.266 4.161 0.512 1.00 75.53 H new ATOM 0 HB2 LYS A 21 5.622 3.916 2.634 1.00 62.41 H new ATOM 0 HB3 LYS A 21 7.064 4.264 1.701 1.00 62.41 H new ATOM 0 HG2 LYS A 21 5.950 6.462 1.017 1.00 30.11 H new ATOM 0 HG3 LYS A 21 4.713 6.113 2.208 1.00 30.11 H new ATOM 0 HD2 LYS A 21 6.746 5.778 3.851 1.00 53.11 H new ATOM 0 HD3 LYS A 21 7.650 6.676 2.648 1.00 53.11 H new ATOM 0 HE2 LYS A 21 5.021 7.857 3.400 1.00 11.43 H new ATOM 0 HE3 LYS A 21 6.217 7.824 4.681 1.00 11.43 H new ATOM 0 HZ1 LYS A 21 6.355 9.863 3.405 1.00 21.52 H new ATOM 0 HZ2 LYS A 21 7.781 8.962 3.213 1.00 21.52 H new ATOM 0 HZ3 LYS A 21 6.622 8.994 1.972 1.00 21.52 H new ATOM 357 N ARG A 22 6.979 3.770 -1.259 1.00 54.22 N ATOM 358 CA ARG A 22 7.684 4.220 -2.452 1.00 44.42 C ATOM 359 C ARG A 22 6.720 4.398 -3.621 1.00 15.41 C ATOM 360 O ARG A 22 6.835 5.347 -4.396 1.00 64.30 O ATOM 361 CB ARG A 22 8.781 3.222 -2.830 1.00 1.42 C ATOM 362 CG ARG A 22 10.095 3.878 -3.216 1.00 44.45 C ATOM 363 CD ARG A 22 10.882 3.018 -4.192 1.00 72.44 C ATOM 364 NE ARG A 22 12.313 3.021 -3.897 1.00 54.31 N ATOM 365 CZ ARG A 22 13.114 4.047 -4.161 1.00 64.33 C ATOM 366 NH1 ARG A 22 12.630 5.146 -4.723 1.00 74.32 N ATOM 367 NH2 ARG A 22 14.405 3.975 -3.863 1.00 21.03 N ATOM 0 H ARG A 22 7.325 2.893 -0.870 1.00 54.22 H new ATOM 0 HA ARG A 22 8.140 5.185 -2.230 1.00 44.42 H new ATOM 0 HB2 ARG A 22 8.954 2.550 -1.990 1.00 1.42 H new ATOM 0 HB3 ARG A 22 8.432 2.610 -3.662 1.00 1.42 H new ATOM 0 HG2 ARG A 22 9.899 4.852 -3.664 1.00 44.45 H new ATOM 0 HG3 ARG A 22 10.692 4.054 -2.321 1.00 44.45 H new ATOM 0 HD2 ARG A 22 10.507 1.995 -4.157 1.00 72.44 H new ATOM 0 HD3 ARG A 22 10.721 3.382 -5.207 1.00 72.44 H new ATOM 0 HE ARG A 22 12.719 2.191 -3.465 1.00 54.31 H new ATOM 0 HH11 ARG A 22 11.638 5.206 -4.955 1.00 74.32 H new ATOM 0 HH12 ARG A 22 13.249 5.931 -4.924 1.00 74.32 H new ATOM 0 HH21 ARG A 22 14.782 3.132 -3.431 1.00 21.03 H new ATOM 0 HH22 ARG A 22 15.020 4.763 -4.066 1.00 21.03 H new ATOM 381 N VAL A 23 5.767 3.478 -3.740 1.00 42.25 N ATOM 382 CA VAL A 23 4.782 3.533 -4.813 1.00 62.12 C ATOM 383 C VAL A 23 3.623 4.454 -4.448 1.00 74.41 C ATOM 384 O VAL A 23 3.092 5.168 -5.300 1.00 23.25 O ATOM 385 CB VAL A 23 4.229 2.133 -5.139 1.00 72.04 C ATOM 386 CG1 VAL A 23 3.247 2.204 -6.300 1.00 62.31 C ATOM 387 CG2 VAL A 23 5.364 1.170 -5.449 1.00 61.10 C ATOM 0 H VAL A 23 5.657 2.686 -3.106 1.00 42.25 H new ATOM 0 HA VAL A 23 5.292 3.927 -5.692 1.00 62.12 H new ATOM 0 HB VAL A 23 3.696 1.760 -4.265 1.00 72.04 H new ATOM 0 HG11 VAL A 23 2.867 1.206 -6.516 1.00 62.31 H new ATOM 0 HG12 VAL A 23 2.417 2.859 -6.035 1.00 62.31 H new ATOM 0 HG13 VAL A 23 3.753 2.598 -7.181 1.00 62.31 H new ATOM 0 HG21 VAL A 23 4.954 0.186 -5.677 1.00 61.10 H new ATOM 0 HG22 VAL A 23 5.928 1.536 -6.307 1.00 61.10 H new ATOM 0 HG23 VAL A 23 6.025 1.097 -4.585 1.00 61.10 H new ATOM 397 N ILE A 24 3.235 4.432 -3.178 1.00 20.13 N ATOM 398 CA ILE A 24 2.139 5.266 -2.699 1.00 41.33 C ATOM 399 C ILE A 24 2.376 6.734 -3.043 1.00 74.51 C ATOM 400 O ILE A 24 1.428 7.495 -3.240 1.00 25.21 O ATOM 401 CB ILE A 24 1.952 5.131 -1.177 1.00 25.30 C ATOM 402 CG1 ILE A 24 1.649 3.678 -0.806 1.00 13.12 C ATOM 403 CG2 ILE A 24 0.838 6.049 -0.697 1.00 44.41 C ATOM 404 CD1 ILE A 24 1.573 3.439 0.686 1.00 3.12 C ATOM 0 H ILE A 24 3.663 3.846 -2.461 1.00 20.13 H new ATOM 0 HA ILE A 24 1.235 4.918 -3.199 1.00 41.33 H new ATOM 0 HB ILE A 24 2.878 5.427 -0.684 1.00 25.30 H new ATOM 0 HG12 ILE A 24 0.703 3.385 -1.261 1.00 13.12 H new ATOM 0 HG13 ILE A 24 2.420 3.035 -1.230 1.00 13.12 H new ATOM 0 HG21 ILE A 24 0.718 5.942 0.381 1.00 44.41 H new ATOM 0 HG22 ILE A 24 1.091 7.083 -0.933 1.00 44.41 H new ATOM 0 HG23 ILE A 24 -0.094 5.781 -1.194 1.00 44.41 H new ATOM 0 HD11 ILE A 24 1.355 2.388 0.875 1.00 3.12 H new ATOM 0 HD12 ILE A 24 2.526 3.701 1.145 1.00 3.12 H new ATOM 0 HD13 ILE A 24 0.783 4.056 1.114 1.00 3.12 H new ATOM 416 N ALA A 25 3.644 7.122 -3.115 1.00 70.43 N ATOM 417 CA ALA A 25 4.004 8.496 -3.440 1.00 40.41 C ATOM 418 C ALA A 25 3.978 8.731 -4.946 1.00 24.31 C ATOM 419 O ALA A 25 3.789 9.857 -5.407 1.00 74.11 O ATOM 420 CB ALA A 25 5.378 8.828 -2.876 1.00 14.34 C ATOM 0 H ALA A 25 4.439 6.504 -2.953 1.00 70.43 H new ATOM 0 HA ALA A 25 3.266 9.156 -2.984 1.00 40.41 H new ATOM 0 HB1 ALA A 25 5.635 9.857 -3.126 1.00 14.34 H new ATOM 0 HB2 ALA A 25 5.365 8.710 -1.792 1.00 14.34 H new ATOM 0 HB3 ALA A 25 6.120 8.155 -3.305 1.00 14.34 H new ATOM 426 N LEU A 26 4.170 7.660 -5.710 1.00 51.50 N ATOM 427 CA LEU A 26 4.168 7.749 -7.166 1.00 5.10 C ATOM 428 C LEU A 26 2.761 8.003 -7.695 1.00 35.41 C ATOM 429 O LEU A 26 2.517 8.983 -8.397 1.00 51.24 O ATOM 430 CB LEU A 26 4.732 6.464 -7.775 1.00 73.21 C ATOM 431 CG LEU A 26 5.578 6.635 -9.038 1.00 20.40 C ATOM 432 CD1 LEU A 26 6.428 5.397 -9.282 1.00 21.45 C ATOM 433 CD2 LEU A 26 4.690 6.919 -10.240 1.00 64.23 C ATOM 0 H LEU A 26 4.329 6.721 -5.345 1.00 51.50 H new ATOM 0 HA LEU A 26 4.800 8.589 -7.455 1.00 5.10 H new ATOM 0 HB2 LEU A 26 5.339 5.964 -7.020 1.00 73.21 H new ATOM 0 HB3 LEU A 26 3.900 5.799 -8.007 1.00 73.21 H new ATOM 0 HG LEU A 26 6.244 7.486 -8.894 1.00 20.40 H new ATOM 0 HD11 LEU A 26 7.023 5.536 -10.184 1.00 21.45 H new ATOM 0 HD12 LEU A 26 7.091 5.237 -8.431 1.00 21.45 H new ATOM 0 HD13 LEU A 26 5.780 4.529 -9.405 1.00 21.45 H new ATOM 0 HD21 LEU A 26 5.309 7.038 -11.129 1.00 64.23 H new ATOM 0 HD22 LEU A 26 3.999 6.088 -10.387 1.00 64.23 H new ATOM 0 HD23 LEU A 26 4.125 7.835 -10.066 1.00 64.23 H new ATOM 445 N LYS A 27 1.836 7.111 -7.351 1.00 44.50 N ATOM 446 CA LYS A 27 0.451 7.239 -7.788 1.00 25.11 C ATOM 447 C LYS A 27 -0.327 8.170 -6.864 1.00 1.44 C ATOM 448 O LYS A 27 -1.041 9.062 -7.322 1.00 12.41 O ATOM 449 CB LYS A 27 -0.221 5.865 -7.828 1.00 45.32 C ATOM 450 CG LYS A 27 -0.458 5.345 -9.236 1.00 53.42 C ATOM 451 CD LYS A 27 0.432 4.154 -9.548 1.00 0.23 C ATOM 452 CE LYS A 27 0.739 4.062 -11.035 1.00 30.30 C ATOM 453 NZ LYS A 27 2.154 3.673 -11.286 1.00 11.11 N ATOM 0 H LYS A 27 2.021 6.293 -6.771 1.00 44.50 H new ATOM 0 HA LYS A 27 0.450 7.667 -8.791 1.00 25.11 H new ATOM 0 HB2 LYS A 27 0.398 5.151 -7.285 1.00 45.32 H new ATOM 0 HB3 LYS A 27 -1.176 5.921 -7.305 1.00 45.32 H new ATOM 0 HG2 LYS A 27 -1.504 5.058 -9.348 1.00 53.42 H new ATOM 0 HG3 LYS A 27 -0.267 6.141 -9.956 1.00 53.42 H new ATOM 0 HD2 LYS A 27 1.363 4.238 -8.988 1.00 0.23 H new ATOM 0 HD3 LYS A 27 -0.057 3.237 -9.219 1.00 0.23 H new ATOM 0 HE2 LYS A 27 0.074 3.333 -11.499 1.00 30.30 H new ATOM 0 HE3 LYS A 27 0.537 5.023 -11.508 1.00 30.30 H new ATOM 0 HZ1 LYS A 27 2.248 3.311 -12.257 1.00 11.11 H new ATOM 0 HZ2 LYS A 27 2.769 4.503 -11.165 1.00 11.11 H new ATOM 0 HZ3 LYS A 27 2.435 2.933 -10.612 1.00 11.11 H new ATOM 467 N LYS A 28 -0.184 7.959 -5.560 1.00 62.42 N ATOM 468 CA LYS A 28 -0.870 8.780 -4.570 1.00 41.34 C ATOM 469 C LYS A 28 -2.356 8.897 -4.896 1.00 60.03 C ATOM 470 O LYS A 28 -2.835 9.933 -5.356 1.00 14.42 O ATOM 471 CB LYS A 28 -0.240 10.173 -4.508 1.00 54.22 C ATOM 472 CG LYS A 28 0.806 10.319 -3.416 1.00 53.52 C ATOM 473 CD LYS A 28 0.768 11.703 -2.789 1.00 61.33 C ATOM 474 CE LYS A 28 1.655 12.682 -3.544 1.00 30.10 C ATOM 475 NZ LYS A 28 0.892 13.867 -4.023 1.00 74.23 N ATOM 0 H LYS A 28 0.402 7.224 -5.164 1.00 62.42 H new ATOM 0 HA LYS A 28 -0.766 8.297 -3.598 1.00 41.34 H new ATOM 0 HB2 LYS A 28 0.218 10.399 -5.471 1.00 54.22 H new ATOM 0 HB3 LYS A 28 -1.026 10.911 -4.348 1.00 54.22 H new ATOM 0 HG2 LYS A 28 0.638 9.565 -2.647 1.00 53.52 H new ATOM 0 HG3 LYS A 28 1.796 10.134 -3.832 1.00 53.52 H new ATOM 0 HD2 LYS A 28 -0.258 12.072 -2.781 1.00 61.33 H new ATOM 0 HD3 LYS A 28 1.093 11.642 -1.750 1.00 61.33 H new ATOM 0 HE2 LYS A 28 2.467 13.011 -2.895 1.00 30.10 H new ATOM 0 HE3 LYS A 28 2.112 12.176 -4.395 1.00 30.10 H new ATOM 0 HZ1 LYS A 28 1.532 14.509 -4.532 1.00 74.23 H new ATOM 0 HZ2 LYS A 28 0.133 13.556 -4.662 1.00 74.23 H new ATOM 0 HZ3 LYS A 28 0.477 14.365 -3.210 1.00 74.23 H new ATOM 489 N PRO A 29 -3.103 7.810 -4.654 1.00 10.05 N ATOM 490 CA PRO A 29 -4.545 7.766 -4.912 1.00 32.24 C ATOM 491 C PRO A 29 -5.334 8.645 -3.947 1.00 65.42 C ATOM 492 O PRO A 29 -4.773 9.212 -3.010 1.00 34.21 O ATOM 493 CB PRO A 29 -4.899 6.292 -4.703 1.00 71.24 C ATOM 494 CG PRO A 29 -3.852 5.778 -3.776 1.00 40.34 C ATOM 495 CD PRO A 29 -2.597 6.539 -4.106 1.00 13.11 C ATOM 0 HA PRO A 29 -4.792 8.141 -5.905 1.00 32.24 H new ATOM 0 HB2 PRO A 29 -5.895 6.181 -4.275 1.00 71.24 H new ATOM 0 HB3 PRO A 29 -4.895 5.746 -5.647 1.00 71.24 H new ATOM 0 HG2 PRO A 29 -4.141 5.933 -2.736 1.00 40.34 H new ATOM 0 HG3 PRO A 29 -3.705 4.706 -3.909 1.00 40.34 H new ATOM 0 HD2 PRO A 29 -1.980 6.700 -3.222 1.00 13.11 H new ATOM 0 HD3 PRO A 29 -1.982 6.005 -4.831 1.00 13.11 H new ATOM 503 N SER A 30 -6.637 8.754 -4.183 1.00 35.41 N ATOM 504 CA SER A 30 -7.503 9.566 -3.337 1.00 52.40 C ATOM 505 C SER A 30 -8.111 8.727 -2.217 1.00 73.21 C ATOM 506 O SER A 30 -7.915 9.012 -1.036 1.00 34.32 O ATOM 507 CB SER A 30 -8.614 10.206 -4.172 1.00 21.52 C ATOM 508 OG SER A 30 -8.154 11.378 -4.821 1.00 2.14 O ATOM 0 H SER A 30 -7.117 8.290 -4.954 1.00 35.41 H new ATOM 0 HA SER A 30 -6.897 10.353 -2.889 1.00 52.40 H new ATOM 0 HB2 SER A 30 -8.972 9.493 -4.914 1.00 21.52 H new ATOM 0 HB3 SER A 30 -9.460 10.450 -3.530 1.00 21.52 H new ATOM 0 HG SER A 30 -8.882 11.767 -5.349 1.00 2.14 H new ATOM 514 N ALA A 31 -8.850 7.690 -2.598 1.00 40.43 N ATOM 515 CA ALA A 31 -9.487 6.807 -1.628 1.00 44.23 C ATOM 516 C ALA A 31 -10.355 5.764 -2.323 1.00 12.24 C ATOM 517 O ALA A 31 -11.553 5.972 -2.520 1.00 23.23 O ATOM 518 CB ALA A 31 -10.316 7.617 -0.643 1.00 24.41 C ATOM 0 H ALA A 31 -9.022 7.441 -3.572 1.00 40.43 H new ATOM 0 HA ALA A 31 -8.704 6.282 -1.081 1.00 44.23 H new ATOM 0 HB1 ALA A 31 -10.786 6.945 0.075 1.00 24.41 H new ATOM 0 HB2 ALA A 31 -9.670 8.319 -0.115 1.00 24.41 H new ATOM 0 HB3 ALA A 31 -11.086 8.168 -1.183 1.00 24.41 H new ATOM 524 N SER A 32 -9.745 4.643 -2.691 1.00 63.13 N ATOM 525 CA SER A 32 -10.463 3.568 -3.367 1.00 43.25 C ATOM 526 C SER A 32 -9.530 2.401 -3.673 1.00 63.41 C ATOM 527 O SER A 32 -8.327 2.585 -3.860 1.00 45.23 O ATOM 528 CB SER A 32 -11.094 4.085 -4.662 1.00 23.32 C ATOM 529 OG SER A 32 -11.110 3.077 -5.658 1.00 63.53 O ATOM 0 H SER A 32 -8.755 4.455 -2.533 1.00 63.13 H new ATOM 0 HA SER A 32 -11.251 3.215 -2.702 1.00 43.25 H new ATOM 0 HB2 SER A 32 -12.112 4.423 -4.465 1.00 23.32 H new ATOM 0 HB3 SER A 32 -10.536 4.949 -5.023 1.00 23.32 H new ATOM 0 HG SER A 32 -10.684 3.416 -6.473 1.00 63.53 H new ATOM 535 N ASP A 33 -10.093 1.199 -3.723 1.00 53.02 N ATOM 536 CA ASP A 33 -9.313 -0.001 -4.007 1.00 13.51 C ATOM 537 C ASP A 33 -8.867 -0.025 -5.465 1.00 63.35 C ATOM 538 O ASP A 33 -7.753 -0.446 -5.777 1.00 24.15 O ATOM 539 CB ASP A 33 -10.132 -1.253 -3.690 1.00 65.10 C ATOM 540 CG ASP A 33 -11.365 -1.376 -4.563 1.00 42.23 C ATOM 541 OD1 ASP A 33 -12.194 -0.443 -4.553 1.00 3.43 O ATOM 542 OD2 ASP A 33 -11.501 -2.406 -5.256 1.00 52.32 O ATOM 0 H ASP A 33 -11.087 1.029 -3.571 1.00 53.02 H new ATOM 0 HA ASP A 33 -8.425 0.013 -3.374 1.00 13.51 H new ATOM 0 HB2 ASP A 33 -9.507 -2.136 -3.823 1.00 65.10 H new ATOM 0 HB3 ASP A 33 -10.433 -1.231 -2.643 1.00 65.10 H new ATOM 547 N ALA A 34 -9.743 0.428 -6.356 1.00 35.44 N ATOM 548 CA ALA A 34 -9.439 0.458 -7.780 1.00 10.40 C ATOM 549 C ALA A 34 -8.209 1.315 -8.060 1.00 41.55 C ATOM 550 O ALA A 34 -7.535 1.137 -9.075 1.00 22.43 O ATOM 551 CB ALA A 34 -10.635 0.976 -8.565 1.00 34.22 C ATOM 0 H ALA A 34 -10.670 0.779 -6.116 1.00 35.44 H new ATOM 0 HA ALA A 34 -9.222 -0.561 -8.101 1.00 10.40 H new ATOM 0 HB1 ALA A 34 -10.393 0.993 -9.628 1.00 34.22 H new ATOM 0 HB2 ALA A 34 -11.491 0.322 -8.398 1.00 34.22 H new ATOM 0 HB3 ALA A 34 -10.879 1.985 -8.232 1.00 34.22 H new ATOM 557 N ASP A 35 -7.924 2.246 -7.157 1.00 54.04 N ATOM 558 CA ASP A 35 -6.775 3.131 -7.308 1.00 1.34 C ATOM 559 C ASP A 35 -5.544 2.544 -6.625 1.00 62.02 C ATOM 560 O ASP A 35 -4.462 2.496 -7.210 1.00 33.24 O ATOM 561 CB ASP A 35 -7.087 4.511 -6.724 1.00 63.12 C ATOM 562 CG ASP A 35 -8.365 5.102 -7.286 1.00 61.42 C ATOM 563 OD1 ASP A 35 -9.447 4.535 -7.025 1.00 30.03 O ATOM 564 OD2 ASP A 35 -8.282 6.131 -7.988 1.00 55.23 O ATOM 0 H ASP A 35 -8.473 2.408 -6.313 1.00 54.04 H new ATOM 0 HA ASP A 35 -6.564 3.234 -8.372 1.00 1.34 H new ATOM 0 HB2 ASP A 35 -7.172 4.433 -5.640 1.00 63.12 H new ATOM 0 HB3 ASP A 35 -6.256 5.186 -6.931 1.00 63.12 H new ATOM 569 N TRP A 36 -5.716 2.099 -5.386 1.00 74.44 N ATOM 570 CA TRP A 36 -4.619 1.514 -4.623 1.00 50.25 C ATOM 571 C TRP A 36 -4.131 0.224 -5.273 1.00 45.42 C ATOM 572 O TRP A 36 -2.978 -0.173 -5.101 1.00 1.14 O ATOM 573 CB TRP A 36 -5.059 1.240 -3.185 1.00 2.41 C ATOM 574 CG TRP A 36 -4.828 2.399 -2.263 1.00 15.54 C ATOM 575 CD1 TRP A 36 -5.628 3.496 -2.110 1.00 2.04 C ATOM 576 CD2 TRP A 36 -3.724 2.578 -1.368 1.00 74.21 C ATOM 577 NE1 TRP A 36 -5.087 4.345 -1.174 1.00 23.02 N ATOM 578 CE2 TRP A 36 -3.920 3.804 -0.704 1.00 73.30 C ATOM 579 CE3 TRP A 36 -2.591 1.819 -1.063 1.00 60.04 C ATOM 580 CZ2 TRP A 36 -3.023 4.287 0.246 1.00 52.24 C ATOM 581 CZ3 TRP A 36 -1.702 2.300 -0.121 1.00 54.00 C ATOM 582 CH2 TRP A 36 -1.922 3.524 0.525 1.00 40.31 C ATOM 0 H TRP A 36 -6.605 2.132 -4.888 1.00 74.44 H new ATOM 0 HA TRP A 36 -3.796 2.228 -4.613 1.00 50.25 H new ATOM 0 HB2 TRP A 36 -6.119 0.986 -3.179 1.00 2.41 H new ATOM 0 HB3 TRP A 36 -4.520 0.371 -2.807 1.00 2.41 H new ATOM 0 HD1 TRP A 36 -6.550 3.670 -2.645 1.00 2.04 H new ATOM 0 HE1 TRP A 36 -5.490 5.234 -0.878 1.00 23.02 H new ATOM 0 HE3 TRP A 36 -2.414 0.874 -1.555 1.00 60.04 H new ATOM 0 HZ2 TRP A 36 -3.191 5.230 0.745 1.00 52.24 H new ATOM 0 HZ3 TRP A 36 -0.822 1.723 0.122 1.00 54.00 H new ATOM 0 HH2 TRP A 36 -1.209 3.872 1.257 1.00 40.31 H new ATOM 593 N THR A 37 -5.015 -0.428 -6.022 1.00 74.03 N ATOM 594 CA THR A 37 -4.675 -1.673 -6.697 1.00 23.51 C ATOM 595 C THR A 37 -3.449 -1.500 -7.587 1.00 64.21 C ATOM 596 O THR A 37 -2.649 -2.422 -7.742 1.00 51.14 O ATOM 597 CB THR A 37 -5.847 -2.189 -7.553 1.00 11.23 C ATOM 598 OG1 THR A 37 -5.611 -3.546 -7.941 1.00 20.22 O ATOM 599 CG2 THR A 37 -6.032 -1.326 -8.792 1.00 22.33 C ATOM 0 H THR A 37 -5.973 -0.113 -6.176 1.00 74.03 H new ATOM 0 HA THR A 37 -4.456 -2.403 -5.918 1.00 23.51 H new ATOM 0 HB THR A 37 -6.756 -2.137 -6.954 1.00 11.23 H new ATOM 0 HG1 THR A 37 -6.362 -3.866 -8.483 1.00 20.22 H new ATOM 0 HG21 THR A 37 -6.865 -1.709 -9.381 1.00 22.33 H new ATOM 0 HG22 THR A 37 -6.242 -0.299 -8.492 1.00 22.33 H new ATOM 0 HG23 THR A 37 -5.122 -1.350 -9.392 1.00 22.33 H new ATOM 607 N GLU A 38 -3.308 -0.312 -8.167 1.00 74.34 N ATOM 608 CA GLU A 38 -2.179 -0.019 -9.042 1.00 44.40 C ATOM 609 C GLU A 38 -0.899 0.173 -8.233 1.00 12.45 C ATOM 610 O GLU A 38 0.205 -0.008 -8.745 1.00 43.32 O ATOM 611 CB GLU A 38 -2.461 1.233 -9.874 1.00 73.15 C ATOM 612 CG GLU A 38 -3.492 1.016 -10.970 1.00 73.31 C ATOM 613 CD GLU A 38 -2.872 0.530 -12.265 1.00 41.14 C ATOM 614 OE1 GLU A 38 -1.950 -0.310 -12.203 1.00 43.43 O ATOM 615 OE2 GLU A 38 -3.308 0.990 -13.341 1.00 61.54 O ATOM 0 H GLU A 38 -3.961 0.462 -8.047 1.00 74.34 H new ATOM 0 HA GLU A 38 -2.042 -0.868 -9.711 1.00 44.40 H new ATOM 0 HB2 GLU A 38 -2.807 2.028 -9.213 1.00 73.15 H new ATOM 0 HB3 GLU A 38 -1.530 1.576 -10.325 1.00 73.15 H new ATOM 0 HG2 GLU A 38 -4.231 0.290 -10.630 1.00 73.31 H new ATOM 0 HG3 GLU A 38 -4.024 1.950 -11.154 1.00 73.31 H new ATOM 622 N VAL A 39 -1.058 0.541 -6.965 1.00 64.20 N ATOM 623 CA VAL A 39 0.084 0.757 -6.084 1.00 32.23 C ATOM 624 C VAL A 39 0.643 -0.566 -5.574 1.00 33.11 C ATOM 625 O VAL A 39 1.858 -0.737 -5.463 1.00 61.41 O ATOM 626 CB VAL A 39 -0.297 1.638 -4.879 1.00 43.41 C ATOM 627 CG1 VAL A 39 0.896 1.821 -3.953 1.00 20.22 C ATOM 628 CG2 VAL A 39 -0.826 2.984 -5.351 1.00 52.34 C ATOM 0 H VAL A 39 -1.965 0.696 -6.526 1.00 64.20 H new ATOM 0 HA VAL A 39 0.846 1.267 -6.673 1.00 32.23 H new ATOM 0 HB VAL A 39 -1.087 1.137 -4.320 1.00 43.41 H new ATOM 0 HG11 VAL A 39 0.608 2.446 -3.108 1.00 20.22 H new ATOM 0 HG12 VAL A 39 1.227 0.848 -3.589 1.00 20.22 H new ATOM 0 HG13 VAL A 39 1.709 2.300 -4.498 1.00 20.22 H new ATOM 0 HG21 VAL A 39 -1.091 3.594 -4.487 1.00 52.34 H new ATOM 0 HG22 VAL A 39 -0.058 3.493 -5.933 1.00 52.34 H new ATOM 0 HG23 VAL A 39 -1.709 2.831 -5.971 1.00 52.34 H new ATOM 638 N LEU A 40 -0.250 -1.500 -5.267 1.00 23.33 N ATOM 639 CA LEU A 40 0.154 -2.811 -4.769 1.00 2.55 C ATOM 640 C LEU A 40 0.693 -3.681 -5.901 1.00 4.14 C ATOM 641 O LEU A 40 1.396 -4.663 -5.661 1.00 33.24 O ATOM 642 CB LEU A 40 -1.028 -3.508 -4.094 1.00 3.04 C ATOM 643 CG LEU A 40 -1.766 -4.546 -4.938 1.00 74.15 C ATOM 644 CD1 LEU A 40 -1.106 -5.910 -4.807 1.00 62.13 C ATOM 645 CD2 LEU A 40 -3.231 -4.621 -4.532 1.00 1.52 C ATOM 0 H LEU A 40 -1.259 -1.374 -5.354 1.00 23.33 H new ATOM 0 HA LEU A 40 0.949 -2.665 -4.037 1.00 2.55 H new ATOM 0 HB2 LEU A 40 -0.667 -3.996 -3.188 1.00 3.04 H new ATOM 0 HB3 LEU A 40 -1.743 -2.747 -3.783 1.00 3.04 H new ATOM 0 HG LEU A 40 -1.713 -4.238 -5.982 1.00 74.15 H new ATOM 0 HD11 LEU A 40 -1.646 -6.635 -5.415 1.00 62.13 H new ATOM 0 HD12 LEU A 40 -0.073 -5.848 -5.148 1.00 62.13 H new ATOM 0 HD13 LEU A 40 -1.126 -6.225 -3.764 1.00 62.13 H new ATOM 0 HD21 LEU A 40 -3.740 -5.365 -5.144 1.00 1.52 H new ATOM 0 HD22 LEU A 40 -3.303 -4.903 -3.482 1.00 1.52 H new ATOM 0 HD23 LEU A 40 -3.700 -3.648 -4.679 1.00 1.52 H new ATOM 657 N ARG A 41 0.362 -3.311 -7.133 1.00 22.03 N ATOM 658 CA ARG A 41 0.814 -4.056 -8.302 1.00 64.21 C ATOM 659 C ARG A 41 2.319 -4.302 -8.241 1.00 45.34 C ATOM 660 O ARG A 41 2.775 -5.445 -8.284 1.00 12.30 O ATOM 661 CB ARG A 41 0.460 -3.301 -9.584 1.00 23.15 C ATOM 662 CG ARG A 41 -0.198 -4.170 -10.641 1.00 74.34 C ATOM 663 CD ARG A 41 -0.384 -3.415 -11.948 1.00 53.23 C ATOM 664 NE ARG A 41 -1.331 -4.083 -12.837 1.00 11.55 N ATOM 665 CZ ARG A 41 -1.036 -5.169 -13.542 1.00 60.51 C ATOM 666 NH1 ARG A 41 0.173 -5.708 -13.462 1.00 50.31 N ATOM 667 NH2 ARG A 41 -1.951 -5.720 -14.330 1.00 15.53 N ATOM 0 H ARG A 41 -0.218 -2.500 -7.348 1.00 22.03 H new ATOM 0 HA ARG A 41 0.306 -5.020 -8.306 1.00 64.21 H new ATOM 0 HB2 ARG A 41 -0.208 -2.476 -9.337 1.00 23.15 H new ATOM 0 HB3 ARG A 41 1.367 -2.863 -10.000 1.00 23.15 H new ATOM 0 HG2 ARG A 41 0.412 -5.057 -10.816 1.00 74.34 H new ATOM 0 HG3 ARG A 41 -1.166 -4.515 -10.278 1.00 74.34 H new ATOM 0 HD2 ARG A 41 -0.736 -2.405 -11.736 1.00 53.23 H new ATOM 0 HD3 ARG A 41 0.578 -3.318 -12.451 1.00 53.23 H new ATOM 0 HE ARG A 41 -2.270 -3.694 -12.921 1.00 11.55 H new ATOM 0 HH11 ARG A 41 0.879 -5.288 -12.858 1.00 50.31 H new ATOM 0 HH12 ARG A 41 0.396 -6.542 -14.005 1.00 50.31 H new ATOM 0 HH21 ARG A 41 -2.882 -5.309 -14.395 1.00 15.53 H new ATOM 0 HH22 ARG A 41 -1.723 -6.554 -14.871 1.00 15.53 H new ATOM 681 N LEU A 42 3.085 -3.220 -8.143 1.00 63.34 N ATOM 682 CA LEU A 42 4.539 -3.317 -8.078 1.00 22.13 C ATOM 683 C LEU A 42 4.976 -4.161 -6.885 1.00 44.02 C ATOM 684 O LEU A 42 6.079 -4.710 -6.869 1.00 1.13 O ATOM 685 CB LEU A 42 5.159 -1.922 -7.984 1.00 43.24 C ATOM 686 CG LEU A 42 5.753 -1.363 -9.278 1.00 22.41 C ATOM 687 CD1 LEU A 42 4.650 -0.990 -10.255 1.00 32.12 C ATOM 688 CD2 LEU A 42 6.637 -0.161 -8.983 1.00 50.41 C ATOM 0 H LEU A 42 2.724 -2.267 -8.107 1.00 63.34 H new ATOM 0 HA LEU A 42 4.887 -3.802 -8.990 1.00 22.13 H new ATOM 0 HB2 LEU A 42 4.395 -1.230 -7.630 1.00 43.24 H new ATOM 0 HB3 LEU A 42 5.944 -1.945 -7.228 1.00 43.24 H new ATOM 0 HG LEU A 42 6.368 -2.137 -9.737 1.00 22.41 H new ATOM 0 HD11 LEU A 42 5.092 -0.594 -11.169 1.00 32.12 H new ATOM 0 HD12 LEU A 42 4.059 -1.875 -10.491 1.00 32.12 H new ATOM 0 HD13 LEU A 42 4.007 -0.233 -9.806 1.00 32.12 H new ATOM 0 HD21 LEU A 42 7.051 0.224 -9.915 1.00 50.41 H new ATOM 0 HD22 LEU A 42 6.045 0.617 -8.501 1.00 50.41 H new ATOM 0 HD23 LEU A 42 7.450 -0.461 -8.321 1.00 50.41 H new ATOM 700 N LEU A 43 4.105 -4.263 -5.887 1.00 53.44 N ATOM 701 CA LEU A 43 4.399 -5.042 -4.690 1.00 51.00 C ATOM 702 C LEU A 43 3.934 -6.486 -4.853 1.00 13.15 C ATOM 703 O LEU A 43 4.296 -7.356 -4.062 1.00 73.42 O ATOM 704 CB LEU A 43 3.725 -4.411 -3.469 1.00 63.15 C ATOM 705 CG LEU A 43 4.637 -4.117 -2.278 1.00 52.02 C ATOM 706 CD1 LEU A 43 3.822 -3.623 -1.092 1.00 50.35 C ATOM 707 CD2 LEU A 43 5.437 -5.355 -1.899 1.00 15.13 C ATOM 0 H LEU A 43 3.189 -3.815 -5.883 1.00 53.44 H new ATOM 0 HA LEU A 43 5.479 -5.042 -4.542 1.00 51.00 H new ATOM 0 HB2 LEU A 43 3.254 -3.478 -3.780 1.00 63.15 H new ATOM 0 HB3 LEU A 43 2.927 -5.075 -3.135 1.00 63.15 H new ATOM 0 HG LEU A 43 5.336 -3.332 -2.565 1.00 52.02 H new ATOM 0 HD11 LEU A 43 4.487 -3.419 -0.253 1.00 50.35 H new ATOM 0 HD12 LEU A 43 3.295 -2.710 -1.368 1.00 50.35 H new ATOM 0 HD13 LEU A 43 3.099 -4.386 -0.804 1.00 50.35 H new ATOM 0 HD21 LEU A 43 6.080 -5.126 -1.049 1.00 15.13 H new ATOM 0 HD22 LEU A 43 4.754 -6.161 -1.631 1.00 15.13 H new ATOM 0 HD23 LEU A 43 6.050 -5.665 -2.745 1.00 15.13 H new ATOM 719 N ALA A 44 3.133 -6.732 -5.884 1.00 4.11 N ATOM 720 CA ALA A 44 2.623 -8.071 -6.153 1.00 13.23 C ATOM 721 C ALA A 44 3.754 -9.092 -6.184 1.00 33.31 C ATOM 722 O ALA A 44 3.539 -10.280 -5.939 1.00 3.44 O ATOM 723 CB ALA A 44 1.855 -8.089 -7.466 1.00 44.23 C ATOM 0 H ALA A 44 2.823 -6.022 -6.547 1.00 4.11 H new ATOM 0 HA ALA A 44 1.944 -8.345 -5.345 1.00 13.23 H new ATOM 0 HB1 ALA A 44 1.480 -9.095 -7.654 1.00 44.23 H new ATOM 0 HB2 ALA A 44 1.017 -7.394 -7.407 1.00 44.23 H new ATOM 0 HB3 ALA A 44 2.517 -7.791 -8.279 1.00 44.23 H new ATOM 729 N LYS A 45 4.959 -8.624 -6.488 1.00 65.12 N ATOM 730 CA LYS A 45 6.127 -9.497 -6.552 1.00 74.31 C ATOM 731 C LYS A 45 6.331 -10.229 -5.229 1.00 1.20 C ATOM 732 O LYS A 45 6.964 -11.283 -5.184 1.00 33.12 O ATOM 733 CB LYS A 45 7.377 -8.687 -6.897 1.00 42.42 C ATOM 734 CG LYS A 45 7.247 -7.887 -8.182 1.00 44.12 C ATOM 735 CD LYS A 45 8.293 -8.300 -9.205 1.00 33.41 C ATOM 736 CE LYS A 45 7.849 -9.524 -9.991 1.00 32.51 C ATOM 737 NZ LYS A 45 8.794 -10.664 -9.822 1.00 71.31 N ATOM 0 H LYS A 45 5.154 -7.644 -6.694 1.00 65.12 H new ATOM 0 HA LYS A 45 5.955 -10.237 -7.334 1.00 74.31 H new ATOM 0 HB2 LYS A 45 7.597 -8.006 -6.075 1.00 42.42 H new ATOM 0 HB3 LYS A 45 8.226 -9.365 -6.985 1.00 42.42 H new ATOM 0 HG2 LYS A 45 6.251 -8.029 -8.601 1.00 44.12 H new ATOM 0 HG3 LYS A 45 7.351 -6.824 -7.962 1.00 44.12 H new ATOM 0 HD2 LYS A 45 8.479 -7.474 -9.891 1.00 33.41 H new ATOM 0 HD3 LYS A 45 9.235 -8.513 -8.699 1.00 33.41 H new ATOM 0 HE2 LYS A 45 6.854 -9.825 -9.663 1.00 32.51 H new ATOM 0 HE3 LYS A 45 7.773 -9.269 -11.048 1.00 32.51 H new ATOM 0 HZ1 LYS A 45 8.457 -11.479 -10.373 1.00 71.31 H new ATOM 0 HZ2 LYS A 45 9.738 -10.385 -10.158 1.00 71.31 H new ATOM 0 HZ3 LYS A 45 8.848 -10.924 -8.817 1.00 71.31 H new ATOM 751 N GLU A 46 5.791 -9.662 -4.155 1.00 13.31 N ATOM 752 CA GLU A 46 5.915 -10.262 -2.831 1.00 35.20 C ATOM 753 C GLU A 46 4.606 -10.921 -2.408 1.00 52.00 C ATOM 754 O GLU A 46 4.360 -11.132 -1.221 1.00 72.22 O ATOM 755 CB GLU A 46 6.321 -9.203 -1.803 1.00 32.22 C ATOM 756 CG GLU A 46 7.786 -8.806 -1.885 1.00 73.12 C ATOM 757 CD GLU A 46 8.717 -9.908 -1.421 1.00 33.24 C ATOM 758 OE1 GLU A 46 9.100 -10.754 -2.257 1.00 2.51 O ATOM 759 OE2 GLU A 46 9.061 -9.926 -0.221 1.00 24.34 O ATOM 0 H GLU A 46 5.264 -8.789 -4.175 1.00 13.31 H new ATOM 0 HA GLU A 46 6.689 -11.028 -2.878 1.00 35.20 H new ATOM 0 HB2 GLU A 46 5.704 -8.316 -1.945 1.00 32.22 H new ATOM 0 HB3 GLU A 46 6.111 -9.581 -0.802 1.00 32.22 H new ATOM 0 HG2 GLU A 46 8.029 -8.540 -2.914 1.00 73.12 H new ATOM 0 HG3 GLU A 46 7.952 -7.916 -1.278 1.00 73.12 H new ATOM 766 N GLY A 47 3.768 -11.244 -3.388 1.00 61.34 N ATOM 767 CA GLY A 47 2.494 -11.876 -3.098 1.00 43.13 C ATOM 768 C GLY A 47 1.692 -11.114 -2.062 1.00 63.14 C ATOM 769 O GLY A 47 1.202 -11.696 -1.095 1.00 21.20 O ATOM 0 H GLY A 47 3.949 -11.079 -4.378 1.00 61.34 H new ATOM 0 HA2 GLY A 47 1.913 -11.954 -4.017 1.00 43.13 H new ATOM 0 HA3 GLY A 47 2.668 -12.892 -2.743 1.00 43.13 H new ATOM 773 N VAL A 48 1.559 -9.807 -2.264 1.00 14.54 N ATOM 774 CA VAL A 48 0.811 -8.963 -1.339 1.00 73.50 C ATOM 775 C VAL A 48 -0.688 -9.213 -1.457 1.00 74.21 C ATOM 776 O VAL A 48 -1.206 -9.447 -2.549 1.00 40.13 O ATOM 777 CB VAL A 48 1.093 -7.470 -1.587 1.00 72.13 C ATOM 778 CG1 VAL A 48 0.211 -6.605 -0.700 1.00 61.30 C ATOM 779 CG2 VAL A 48 2.564 -7.160 -1.356 1.00 33.13 C ATOM 0 H VAL A 48 1.959 -9.310 -3.059 1.00 14.54 H new ATOM 0 HA VAL A 48 1.142 -9.225 -0.334 1.00 73.50 H new ATOM 0 HB VAL A 48 0.856 -7.241 -2.626 1.00 72.13 H new ATOM 0 HG11 VAL A 48 0.425 -5.553 -0.889 1.00 61.30 H new ATOM 0 HG12 VAL A 48 -0.837 -6.808 -0.920 1.00 61.30 H new ATOM 0 HG13 VAL A 48 0.412 -6.833 0.347 1.00 61.30 H new ATOM 0 HG21 VAL A 48 2.745 -6.100 -1.536 1.00 33.13 H new ATOM 0 HG22 VAL A 48 2.830 -7.404 -0.328 1.00 33.13 H new ATOM 0 HG23 VAL A 48 3.172 -7.753 -2.039 1.00 33.13 H new ATOM 789 N VAL A 49 -1.383 -9.161 -0.324 1.00 64.52 N ATOM 790 CA VAL A 49 -2.824 -9.379 -0.301 1.00 60.41 C ATOM 791 C VAL A 49 -3.559 -8.285 -1.066 1.00 4.23 C ATOM 792 O VAL A 49 -2.953 -7.308 -1.507 1.00 63.51 O ATOM 793 CB VAL A 49 -3.361 -9.431 1.143 1.00 64.33 C ATOM 794 CG1 VAL A 49 -2.753 -10.603 1.896 1.00 63.41 C ATOM 795 CG2 VAL A 49 -3.079 -8.120 1.861 1.00 10.12 C ATOM 0 H VAL A 49 -0.971 -8.970 0.589 1.00 64.52 H new ATOM 0 HA VAL A 49 -3.006 -10.339 -0.784 1.00 60.41 H new ATOM 0 HB VAL A 49 -4.441 -9.575 1.108 1.00 64.33 H new ATOM 0 HG11 VAL A 49 -3.144 -10.624 2.913 1.00 63.41 H new ATOM 0 HG12 VAL A 49 -3.010 -11.533 1.390 1.00 63.41 H new ATOM 0 HG13 VAL A 49 -1.669 -10.493 1.926 1.00 63.41 H new ATOM 0 HG21 VAL A 49 -3.464 -8.173 2.879 1.00 10.12 H new ATOM 0 HG22 VAL A 49 -2.004 -7.944 1.889 1.00 10.12 H new ATOM 0 HG23 VAL A 49 -3.567 -7.302 1.330 1.00 10.12 H new ATOM 805 N GLU A 50 -4.869 -8.453 -1.218 1.00 72.54 N ATOM 806 CA GLU A 50 -5.686 -7.478 -1.930 1.00 62.11 C ATOM 807 C GLU A 50 -5.400 -6.063 -1.435 1.00 13.02 C ATOM 808 O GLU A 50 -4.899 -5.855 -0.330 1.00 50.00 O ATOM 809 CB GLU A 50 -7.172 -7.801 -1.757 1.00 41.00 C ATOM 810 CG GLU A 50 -7.542 -8.221 -0.345 1.00 31.41 C ATOM 811 CD GLU A 50 -9.038 -8.186 -0.100 1.00 12.23 C ATOM 812 OE1 GLU A 50 -9.786 -7.837 -1.037 1.00 20.45 O ATOM 813 OE2 GLU A 50 -9.461 -8.507 1.031 1.00 51.41 O ATOM 0 H GLU A 50 -5.387 -9.255 -0.858 1.00 72.54 H new ATOM 0 HA GLU A 50 -5.431 -7.532 -2.988 1.00 62.11 H new ATOM 0 HB2 GLU A 50 -7.760 -6.926 -2.033 1.00 41.00 H new ATOM 0 HB3 GLU A 50 -7.445 -8.599 -2.448 1.00 41.00 H new ATOM 0 HG2 GLU A 50 -7.171 -9.229 -0.161 1.00 31.41 H new ATOM 0 HG3 GLU A 50 -7.045 -7.563 0.368 1.00 31.41 H new ATOM 820 N PRO A 51 -5.727 -5.066 -2.272 1.00 23.25 N ATOM 821 CA PRO A 51 -5.516 -3.655 -1.940 1.00 44.34 C ATOM 822 C PRO A 51 -6.454 -3.169 -0.841 1.00 44.00 C ATOM 823 O PRO A 51 -6.122 -2.252 -0.091 1.00 21.13 O ATOM 824 CB PRO A 51 -5.817 -2.933 -3.257 1.00 25.11 C ATOM 825 CG PRO A 51 -6.739 -3.847 -3.987 1.00 61.33 C ATOM 826 CD PRO A 51 -6.328 -5.241 -3.604 1.00 35.52 C ATOM 0 HA PRO A 51 -4.512 -3.473 -1.556 1.00 44.34 H new ATOM 0 HB2 PRO A 51 -6.280 -1.962 -3.080 1.00 25.11 H new ATOM 0 HB3 PRO A 51 -4.906 -2.752 -3.827 1.00 25.11 H new ATOM 0 HG2 PRO A 51 -7.776 -3.656 -3.712 1.00 61.33 H new ATOM 0 HG3 PRO A 51 -6.663 -3.700 -5.064 1.00 61.33 H new ATOM 0 HD2 PRO A 51 -7.182 -5.918 -3.574 1.00 35.52 H new ATOM 0 HD3 PRO A 51 -5.615 -5.659 -4.315 1.00 35.52 H new ATOM 834 N GLU A 52 -7.624 -3.792 -0.751 1.00 12.14 N ATOM 835 CA GLU A 52 -8.610 -3.422 0.258 1.00 1.32 C ATOM 836 C GLU A 52 -7.983 -3.404 1.650 1.00 51.24 C ATOM 837 O GLU A 52 -8.343 -2.584 2.494 1.00 12.13 O ATOM 838 CB GLU A 52 -9.790 -4.395 0.231 1.00 35.45 C ATOM 839 CG GLU A 52 -10.968 -3.900 -0.590 1.00 41.24 C ATOM 840 CD GLU A 52 -12.295 -4.440 -0.093 1.00 74.14 C ATOM 841 OE1 GLU A 52 -12.732 -4.028 1.002 1.00 5.04 O ATOM 842 OE2 GLU A 52 -12.897 -5.276 -0.799 1.00 40.32 O ATOM 0 H GLU A 52 -7.913 -4.555 -1.364 1.00 12.14 H new ATOM 0 HA GLU A 52 -8.970 -2.419 0.027 1.00 1.32 H new ATOM 0 HB2 GLU A 52 -9.453 -5.350 -0.172 1.00 35.45 H new ATOM 0 HB3 GLU A 52 -10.122 -4.579 1.253 1.00 35.45 H new ATOM 0 HG2 GLU A 52 -10.991 -2.811 -0.565 1.00 41.24 H new ATOM 0 HG3 GLU A 52 -10.828 -4.192 -1.631 1.00 41.24 H new ATOM 849 N VAL A 53 -7.044 -4.316 1.881 1.00 4.33 N ATOM 850 CA VAL A 53 -6.366 -4.404 3.169 1.00 63.44 C ATOM 851 C VAL A 53 -5.158 -3.477 3.220 1.00 3.42 C ATOM 852 O VAL A 53 -4.907 -2.821 4.231 1.00 12.51 O ATOM 853 CB VAL A 53 -5.905 -5.845 3.462 1.00 14.01 C ATOM 854 CG1 VAL A 53 -5.221 -5.922 4.819 1.00 53.52 C ATOM 855 CG2 VAL A 53 -7.083 -6.805 3.395 1.00 13.45 C ATOM 0 H VAL A 53 -6.736 -5.004 1.194 1.00 4.33 H new ATOM 0 HA VAL A 53 -7.087 -4.098 3.927 1.00 63.44 H new ATOM 0 HB VAL A 53 -5.182 -6.138 2.700 1.00 14.01 H new ATOM 0 HG11 VAL A 53 -4.903 -6.947 5.008 1.00 53.52 H new ATOM 0 HG12 VAL A 53 -4.352 -5.265 4.826 1.00 53.52 H new ATOM 0 HG13 VAL A 53 -5.918 -5.609 5.596 1.00 53.52 H new ATOM 0 HG21 VAL A 53 -6.739 -7.818 3.604 1.00 13.45 H new ATOM 0 HG22 VAL A 53 -7.831 -6.516 4.133 1.00 13.45 H new ATOM 0 HG23 VAL A 53 -7.524 -6.770 2.399 1.00 13.45 H new ATOM 865 N VAL A 54 -4.410 -3.425 2.121 1.00 35.24 N ATOM 866 CA VAL A 54 -3.229 -2.575 2.040 1.00 24.41 C ATOM 867 C VAL A 54 -3.547 -1.148 2.468 1.00 14.32 C ATOM 868 O VAL A 54 -2.691 -0.443 3.001 1.00 21.00 O ATOM 869 CB VAL A 54 -2.651 -2.555 0.612 1.00 4.22 C ATOM 870 CG1 VAL A 54 -1.437 -1.639 0.541 1.00 74.12 C ATOM 871 CG2 VAL A 54 -2.293 -3.964 0.162 1.00 43.43 C ATOM 0 H VAL A 54 -4.602 -3.962 1.275 1.00 35.24 H new ATOM 0 HA VAL A 54 -2.488 -2.997 2.719 1.00 24.41 H new ATOM 0 HB VAL A 54 -3.412 -2.165 -0.064 1.00 4.22 H new ATOM 0 HG11 VAL A 54 -1.042 -1.637 -0.475 1.00 74.12 H new ATOM 0 HG12 VAL A 54 -1.729 -0.626 0.819 1.00 74.12 H new ATOM 0 HG13 VAL A 54 -0.670 -1.997 1.228 1.00 74.12 H new ATOM 0 HG21 VAL A 54 -1.886 -3.931 -0.849 1.00 43.43 H new ATOM 0 HG22 VAL A 54 -1.549 -4.384 0.839 1.00 43.43 H new ATOM 0 HG23 VAL A 54 -3.187 -4.588 0.173 1.00 43.43 H new ATOM 881 N ARG A 55 -4.786 -0.727 2.232 1.00 62.42 N ATOM 882 CA ARG A 55 -5.219 0.617 2.593 1.00 22.44 C ATOM 883 C ARG A 55 -5.321 0.767 4.108 1.00 74.15 C ATOM 884 O ARG A 55 -4.613 1.574 4.710 1.00 11.35 O ATOM 885 CB ARG A 55 -6.568 0.933 1.946 1.00 35.45 C ATOM 886 CG ARG A 55 -7.187 2.234 2.430 1.00 23.01 C ATOM 887 CD ARG A 55 -8.236 2.747 1.458 1.00 54.14 C ATOM 888 NE ARG A 55 -9.586 2.348 1.848 1.00 42.14 N ATOM 889 CZ ARG A 55 -10.688 2.889 1.340 1.00 30.40 C ATOM 890 NH1 ARG A 55 -10.602 3.846 0.427 1.00 4.12 N ATOM 891 NH2 ARG A 55 -11.881 2.472 1.745 1.00 10.11 N ATOM 0 H ARG A 55 -5.507 -1.298 1.792 1.00 62.42 H new ATOM 0 HA ARG A 55 -4.474 1.322 2.225 1.00 22.44 H new ATOM 0 HB2 ARG A 55 -6.440 0.982 0.865 1.00 35.45 H new ATOM 0 HB3 ARG A 55 -7.259 0.115 2.148 1.00 35.45 H new ATOM 0 HG2 ARG A 55 -7.641 2.080 3.409 1.00 23.01 H new ATOM 0 HG3 ARG A 55 -6.407 2.985 2.555 1.00 23.01 H new ATOM 0 HD2 ARG A 55 -8.180 3.834 1.405 1.00 54.14 H new ATOM 0 HD3 ARG A 55 -8.020 2.368 0.459 1.00 54.14 H new ATOM 0 HE ARG A 55 -9.688 1.614 2.549 1.00 42.14 H new ATOM 0 HH11 ARG A 55 -9.687 4.170 0.112 1.00 4.12 H new ATOM 0 HH12 ARG A 55 -11.450 4.259 0.039 1.00 4.12 H new ATOM 0 HH21 ARG A 55 -11.953 1.735 2.447 1.00 10.11 H new ATOM 0 HH22 ARG A 55 -12.726 2.888 1.354 1.00 10.11 H new ATOM 905 N GLN A 56 -6.207 -0.015 4.716 1.00 23.11 N ATOM 906 CA GLN A 56 -6.402 0.032 6.160 1.00 32.22 C ATOM 907 C GLN A 56 -5.073 -0.111 6.895 1.00 61.54 C ATOM 908 O GLN A 56 -4.853 0.518 7.929 1.00 53.21 O ATOM 909 CB GLN A 56 -7.364 -1.072 6.603 1.00 11.31 C ATOM 910 CG GLN A 56 -7.616 -1.095 8.102 1.00 71.51 C ATOM 911 CD GLN A 56 -8.221 0.199 8.613 1.00 61.54 C ATOM 912 OE1 GLN A 56 -9.420 0.437 8.466 1.00 20.21 O ATOM 913 NE2 GLN A 56 -7.391 1.042 9.216 1.00 52.44 N ATOM 0 H GLN A 56 -6.801 -0.688 4.231 1.00 23.11 H new ATOM 0 HA GLN A 56 -6.832 1.002 6.411 1.00 32.22 H new ATOM 0 HB2 GLN A 56 -8.315 -0.943 6.085 1.00 11.31 H new ATOM 0 HB3 GLN A 56 -6.962 -2.037 6.296 1.00 11.31 H new ATOM 0 HG2 GLN A 56 -8.283 -1.923 8.342 1.00 71.51 H new ATOM 0 HG3 GLN A 56 -6.676 -1.282 8.622 1.00 71.51 H new ATOM 0 HE21 GLN A 56 -6.404 0.803 9.315 1.00 52.44 H new ATOM 0 HE22 GLN A 56 -7.740 1.929 9.580 1.00 52.44 H new ATOM 922 N ILE A 57 -4.191 -0.945 6.353 1.00 21.51 N ATOM 923 CA ILE A 57 -2.883 -1.171 6.957 1.00 53.03 C ATOM 924 C ILE A 57 -1.971 0.035 6.758 1.00 71.24 C ATOM 925 O ILE A 57 -1.301 0.479 7.689 1.00 2.00 O ATOM 926 CB ILE A 57 -2.200 -2.420 6.370 1.00 33.34 C ATOM 927 CG1 ILE A 57 -3.054 -3.664 6.630 1.00 11.34 C ATOM 928 CG2 ILE A 57 -0.810 -2.592 6.964 1.00 74.32 C ATOM 929 CD1 ILE A 57 -3.185 -4.012 8.097 1.00 65.03 C ATOM 0 H ILE A 57 -4.358 -1.475 5.498 1.00 21.51 H new ATOM 0 HA ILE A 57 -3.050 -1.326 8.023 1.00 53.03 H new ATOM 0 HB ILE A 57 -2.100 -2.289 5.293 1.00 33.34 H new ATOM 0 HG12 ILE A 57 -4.048 -3.506 6.212 1.00 11.34 H new ATOM 0 HG13 ILE A 57 -2.617 -4.511 6.102 1.00 11.34 H new ATOM 0 HG21 ILE A 57 -0.340 -3.479 6.539 1.00 74.32 H new ATOM 0 HG22 ILE A 57 -0.205 -1.715 6.734 1.00 74.32 H new ATOM 0 HG23 ILE A 57 -0.888 -2.705 8.045 1.00 74.32 H new ATOM 0 HD11 ILE A 57 -3.803 -4.903 8.206 1.00 65.03 H new ATOM 0 HD12 ILE A 57 -2.197 -4.202 8.515 1.00 65.03 H new ATOM 0 HD13 ILE A 57 -3.650 -3.181 8.628 1.00 65.03 H new ATOM 941 N ALA A 58 -1.951 0.559 5.537 1.00 44.14 N ATOM 942 CA ALA A 58 -1.123 1.715 5.215 1.00 12.45 C ATOM 943 C ALA A 58 -1.532 2.929 6.043 1.00 10.25 C ATOM 944 O ALA A 58 -0.764 3.882 6.186 1.00 74.43 O ATOM 945 CB ALA A 58 -1.214 2.033 3.730 1.00 22.02 C ATOM 0 H ALA A 58 -2.499 0.201 4.754 1.00 44.14 H new ATOM 0 HA ALA A 58 -0.089 1.470 5.460 1.00 12.45 H new ATOM 0 HB1 ALA A 58 -0.591 2.898 3.504 1.00 22.02 H new ATOM 0 HB2 ALA A 58 -0.868 1.176 3.152 1.00 22.02 H new ATOM 0 HB3 ALA A 58 -2.249 2.253 3.468 1.00 22.02 H new ATOM 951 N ILE A 59 -2.744 2.889 6.587 1.00 72.34 N ATOM 952 CA ILE A 59 -3.252 3.986 7.400 1.00 15.33 C ATOM 953 C ILE A 59 -2.748 3.885 8.835 1.00 33.25 C ATOM 954 O ILE A 59 -2.309 4.875 9.424 1.00 54.05 O ATOM 955 CB ILE A 59 -4.792 4.013 7.410 1.00 72.42 C ATOM 956 CG1 ILE A 59 -5.330 4.195 5.988 1.00 24.25 C ATOM 957 CG2 ILE A 59 -5.298 5.123 8.318 1.00 2.35 C ATOM 958 CD1 ILE A 59 -6.651 3.499 5.748 1.00 33.03 C ATOM 0 H ILE A 59 -3.392 2.109 6.479 1.00 72.34 H new ATOM 0 HA ILE A 59 -2.883 4.908 6.951 1.00 15.33 H new ATOM 0 HB ILE A 59 -5.154 3.061 7.797 1.00 72.42 H new ATOM 0 HG12 ILE A 59 -5.448 5.260 5.786 1.00 24.25 H new ATOM 0 HG13 ILE A 59 -4.595 3.816 5.279 1.00 24.25 H new ATOM 0 HG21 ILE A 59 -6.388 5.128 8.314 1.00 2.35 H new ATOM 0 HG22 ILE A 59 -4.940 4.954 9.334 1.00 2.35 H new ATOM 0 HG23 ILE A 59 -4.929 6.084 7.959 1.00 2.35 H new ATOM 0 HD11 ILE A 59 -6.971 3.671 4.720 1.00 33.03 H new ATOM 0 HD12 ILE A 59 -6.534 2.429 5.917 1.00 33.03 H new ATOM 0 HD13 ILE A 59 -7.401 3.895 6.433 1.00 33.03 H new ATOM 970 N THR A 60 -2.812 2.681 9.396 1.00 0.45 N ATOM 971 CA THR A 60 -2.362 2.451 10.764 1.00 72.42 C ATOM 972 C THR A 60 -0.868 2.147 10.806 1.00 33.45 C ATOM 973 O THR A 60 -0.293 1.965 11.879 1.00 52.31 O ATOM 974 CB THR A 60 -3.130 1.287 11.418 1.00 22.34 C ATOM 975 OG1 THR A 60 -2.635 1.057 12.742 1.00 23.22 O ATOM 976 CG2 THR A 60 -2.996 0.017 10.594 1.00 64.23 C ATOM 0 H THR A 60 -3.171 1.851 8.925 1.00 0.45 H new ATOM 0 HA THR A 60 -2.560 3.366 11.322 1.00 72.42 H new ATOM 0 HB THR A 60 -4.184 1.559 11.466 1.00 22.34 H new ATOM 0 HG1 THR A 60 -1.678 1.267 12.775 1.00 23.22 H new ATOM 0 HG21 THR A 60 -3.547 -0.790 11.077 1.00 64.23 H new ATOM 0 HG22 THR A 60 -3.401 0.186 9.596 1.00 64.23 H new ATOM 0 HG23 THR A 60 -1.944 -0.257 10.517 1.00 64.23 H new ATOM 984 N ARG A 61 -0.247 2.092 9.633 1.00 11.43 N ATOM 985 CA ARG A 61 1.180 1.809 9.537 1.00 42.42 C ATOM 986 C ARG A 61 1.932 2.997 8.942 1.00 14.33 C ATOM 987 O ARG A 61 2.925 3.461 9.503 1.00 31.13 O ATOM 988 CB ARG A 61 1.419 0.563 8.683 1.00 34.41 C ATOM 989 CG ARG A 61 0.819 -0.703 9.273 1.00 34.30 C ATOM 990 CD ARG A 61 1.496 -1.085 10.580 1.00 43.14 C ATOM 991 NE ARG A 61 1.360 -2.510 10.871 1.00 22.01 N ATOM 992 CZ ARG A 61 0.258 -3.056 11.374 1.00 2.31 C ATOM 993 NH1 ARG A 61 -0.798 -2.299 11.640 1.00 72.45 N ATOM 994 NH2 ARG A 61 0.212 -4.360 11.611 1.00 43.33 N ATOM 0 H ARG A 61 -0.709 2.240 8.736 1.00 11.43 H new ATOM 0 HA ARG A 61 1.557 1.629 10.544 1.00 42.42 H new ATOM 0 HB2 ARG A 61 0.998 0.726 7.691 1.00 34.41 H new ATOM 0 HB3 ARG A 61 2.492 0.421 8.555 1.00 34.41 H new ATOM 0 HG2 ARG A 61 -0.247 -0.556 9.444 1.00 34.30 H new ATOM 0 HG3 ARG A 61 0.917 -1.520 8.559 1.00 34.30 H new ATOM 0 HD2 ARG A 61 2.553 -0.825 10.530 1.00 43.14 H new ATOM 0 HD3 ARG A 61 1.063 -0.506 11.395 1.00 43.14 H new ATOM 0 HE ARG A 61 2.155 -3.119 10.677 1.00 22.01 H new ATOM 0 HH11 ARG A 61 -0.765 -1.296 11.458 1.00 72.45 H new ATOM 0 HH12 ARG A 61 -1.643 -2.720 12.026 1.00 72.45 H new ATOM 0 HH21 ARG A 61 1.023 -4.944 11.407 1.00 43.33 H new ATOM 0 HH22 ARG A 61 -0.634 -4.779 11.997 1.00 43.33 H new ATOM 1008 N LEU A 62 1.450 3.485 7.804 1.00 53.21 N ATOM 1009 CA LEU A 62 2.075 4.618 7.132 1.00 0.52 C ATOM 1010 C LEU A 62 1.396 5.927 7.524 1.00 34.22 C ATOM 1011 O LEU A 62 1.664 6.977 6.942 1.00 3.43 O ATOM 1012 CB LEU A 62 2.015 4.434 5.615 1.00 65.23 C ATOM 1013 CG LEU A 62 3.352 4.180 4.916 1.00 13.42 C ATOM 1014 CD1 LEU A 62 3.138 3.926 3.433 1.00 52.15 C ATOM 1015 CD2 LEU A 62 4.295 5.356 5.128 1.00 41.35 C ATOM 0 H LEU A 62 0.628 3.113 7.328 1.00 53.21 H new ATOM 0 HA LEU A 62 3.118 4.663 7.445 1.00 0.52 H new ATOM 0 HB2 LEU A 62 1.349 3.599 5.396 1.00 65.23 H new ATOM 0 HB3 LEU A 62 1.563 5.325 5.179 1.00 65.23 H new ATOM 0 HG LEU A 62 3.807 3.291 5.353 1.00 13.42 H new ATOM 0 HD11 LEU A 62 4.100 3.747 2.952 1.00 52.15 H new ATOM 0 HD12 LEU A 62 2.499 3.053 3.302 1.00 52.15 H new ATOM 0 HD13 LEU A 62 2.662 4.795 2.980 1.00 52.15 H new ATOM 0 HD21 LEU A 62 5.241 5.159 4.624 1.00 41.35 H new ATOM 0 HD22 LEU A 62 3.847 6.261 4.717 1.00 41.35 H new ATOM 0 HD23 LEU A 62 4.473 5.492 6.195 1.00 41.35 H new ATOM 1027 N LYS A 63 0.514 5.855 8.515 1.00 1.34 N ATOM 1028 CA LYS A 63 -0.203 7.034 8.989 1.00 62.30 C ATOM 1029 C LYS A 63 -0.851 7.779 7.827 1.00 11.23 C ATOM 1030 O LYS A 63 -1.011 8.999 7.873 1.00 21.11 O ATOM 1031 CB LYS A 63 0.748 7.967 9.741 1.00 3.11 C ATOM 1032 CG LYS A 63 1.193 7.425 11.088 1.00 25.23 C ATOM 1033 CD LYS A 63 0.998 8.448 12.194 1.00 43.54 C ATOM 1034 CE LYS A 63 2.195 9.380 12.310 1.00 20.22 C ATOM 1035 NZ LYS A 63 1.788 10.812 12.286 1.00 3.12 N ATOM 0 H LYS A 63 0.278 4.993 9.006 1.00 1.34 H new ATOM 0 HA LYS A 63 -0.988 6.703 9.668 1.00 62.30 H new ATOM 0 HB2 LYS A 63 1.628 8.150 9.124 1.00 3.11 H new ATOM 0 HB3 LYS A 63 0.258 8.929 9.890 1.00 3.11 H new ATOM 0 HG2 LYS A 63 0.628 6.523 11.322 1.00 25.23 H new ATOM 0 HG3 LYS A 63 2.244 7.139 11.037 1.00 25.23 H new ATOM 0 HD2 LYS A 63 0.099 9.032 11.996 1.00 43.54 H new ATOM 0 HD3 LYS A 63 0.842 7.934 13.143 1.00 43.54 H new ATOM 0 HE2 LYS A 63 2.730 9.170 13.236 1.00 20.22 H new ATOM 0 HE3 LYS A 63 2.887 9.186 11.491 1.00 20.22 H new ATOM 0 HZ1 LYS A 63 2.632 11.414 12.367 1.00 3.12 H new ATOM 0 HZ2 LYS A 63 1.300 11.019 11.391 1.00 3.12 H new ATOM 0 HZ3 LYS A 63 1.148 11.004 13.083 1.00 3.12 H new ATOM 1049 N TRP A 64 -1.224 7.039 6.790 1.00 42.23 N ATOM 1050 CA TRP A 64 -1.856 7.632 5.617 1.00 71.25 C ATOM 1051 C TRP A 64 -3.186 8.281 5.985 1.00 44.15 C ATOM 1052 O TRP A 64 -3.842 7.874 6.942 1.00 33.45 O ATOM 1053 CB TRP A 64 -2.075 6.569 4.539 1.00 64.11 C ATOM 1054 CG TRP A 64 -2.532 7.137 3.229 1.00 71.32 C ATOM 1055 CD1 TRP A 64 -1.811 7.929 2.383 1.00 20.00 C ATOM 1056 CD2 TRP A 64 -3.814 6.956 2.618 1.00 52.34 C ATOM 1057 NE1 TRP A 64 -2.567 8.253 1.282 1.00 70.32 N ATOM 1058 CE2 TRP A 64 -3.799 7.667 1.402 1.00 53.40 C ATOM 1059 CE3 TRP A 64 -4.972 6.261 2.978 1.00 40.32 C ATOM 1060 CZ2 TRP A 64 -4.898 7.703 0.548 1.00 55.42 C ATOM 1061 CZ3 TRP A 64 -6.062 6.299 2.129 1.00 32.32 C ATOM 1062 CH2 TRP A 64 -6.019 7.015 0.925 1.00 21.01 C ATOM 0 H TRP A 64 -1.100 6.028 6.737 1.00 42.23 H new ATOM 0 HA TRP A 64 -1.192 8.404 5.228 1.00 71.25 H new ATOM 0 HB2 TRP A 64 -1.145 6.021 4.385 1.00 64.11 H new ATOM 0 HB3 TRP A 64 -2.814 5.850 4.893 1.00 64.11 H new ATOM 0 HD1 TRP A 64 -0.795 8.254 2.554 1.00 20.00 H new ATOM 0 HE1 TRP A 64 -2.260 8.835 0.502 1.00 70.32 H new ATOM 0 HE3 TRP A 64 -5.014 5.704 3.903 1.00 40.32 H new ATOM 0 HZ2 TRP A 64 -4.867 8.255 -0.380 1.00 55.42 H new ATOM 0 HZ3 TRP A 64 -6.963 5.768 2.398 1.00 32.32 H new ATOM 0 HH2 TRP A 64 -6.887 7.024 0.283 1.00 21.01 H new ATOM 1073 N VAL A 65 -3.578 9.294 5.217 1.00 24.44 N ATOM 1074 CA VAL A 65 -4.830 9.999 5.462 1.00 71.52 C ATOM 1075 C VAL A 65 -5.422 10.535 4.163 1.00 1.12 C ATOM 1076 O VAL A 65 -4.822 11.382 3.502 1.00 74.23 O ATOM 1077 CB VAL A 65 -4.633 11.167 6.446 1.00 0.10 C ATOM 1078 CG1 VAL A 65 -4.396 10.645 7.854 1.00 11.13 C ATOM 1079 CG2 VAL A 65 -3.481 12.053 5.996 1.00 40.23 C ATOM 0 H VAL A 65 -3.046 9.644 4.420 1.00 24.44 H new ATOM 0 HA VAL A 65 -5.519 9.278 5.901 1.00 71.52 H new ATOM 0 HB VAL A 65 -5.542 11.768 6.456 1.00 0.10 H new ATOM 0 HG11 VAL A 65 -4.259 11.485 8.535 1.00 11.13 H new ATOM 0 HG12 VAL A 65 -5.256 10.056 8.173 1.00 11.13 H new ATOM 0 HG13 VAL A 65 -3.503 10.020 7.865 1.00 11.13 H new ATOM 0 HG21 VAL A 65 -3.356 12.873 6.703 1.00 40.23 H new ATOM 0 HG22 VAL A 65 -2.564 11.465 5.956 1.00 40.23 H new ATOM 0 HG23 VAL A 65 -3.697 12.456 5.007 1.00 40.23 H new ATOM 1089 N GLU A 66 -6.601 10.037 3.807 1.00 40.11 N ATOM 1090 CA GLU A 66 -7.274 10.467 2.587 1.00 43.02 C ATOM 1091 C GLU A 66 -7.364 11.989 2.522 1.00 22.43 C ATOM 1092 O GLU A 66 -7.315 12.682 3.539 1.00 55.11 O ATOM 1093 CB GLU A 66 -8.675 9.857 2.508 1.00 11.52 C ATOM 1094 CG GLU A 66 -9.443 9.928 3.818 1.00 65.45 C ATOM 1095 CD GLU A 66 -10.942 10.030 3.610 1.00 2.33 C ATOM 1096 OE1 GLU A 66 -11.406 9.760 2.483 1.00 5.12 O ATOM 1097 OE2 GLU A 66 -11.650 10.382 4.576 1.00 34.14 O ATOM 0 H GLU A 66 -7.110 9.336 4.345 1.00 40.11 H new ATOM 0 HA GLU A 66 -6.687 10.119 1.737 1.00 43.02 H new ATOM 0 HB2 GLU A 66 -9.244 10.373 1.734 1.00 11.52 H new ATOM 0 HB3 GLU A 66 -8.592 8.814 2.201 1.00 11.52 H new ATOM 0 HG2 GLU A 66 -9.222 9.042 4.413 1.00 65.45 H new ATOM 0 HG3 GLU A 66 -9.100 10.790 4.390 1.00 65.45 H new ATOM 1104 N PRO A 67 -7.499 12.523 1.300 1.00 64.42 N ATOM 1105 CA PRO A 67 -7.599 13.967 1.072 1.00 11.45 C ATOM 1106 C PRO A 67 -8.918 14.543 1.576 1.00 70.31 C ATOM 1107 O PRO A 67 -9.033 14.931 2.739 1.00 15.41 O ATOM 1108 CB PRO A 67 -7.507 14.094 -0.450 1.00 4.42 C ATOM 1109 CG PRO A 67 -7.988 12.783 -0.970 1.00 41.51 C ATOM 1110 CD PRO A 67 -7.565 11.757 0.043 1.00 23.33 C ATOM 0 HA PRO A 67 -6.825 14.518 1.606 1.00 11.45 H new ATOM 0 HB2 PRO A 67 -8.123 14.915 -0.817 1.00 4.42 H new ATOM 0 HB3 PRO A 67 -6.484 14.295 -0.769 1.00 4.42 H new ATOM 0 HG2 PRO A 67 -9.071 12.786 -1.094 1.00 41.51 H new ATOM 0 HG3 PRO A 67 -7.556 12.568 -1.947 1.00 41.51 H new ATOM 0 HD2 PRO A 67 -8.282 10.938 0.109 1.00 23.33 H new ATOM 0 HD3 PRO A 67 -6.601 11.317 -0.210 1.00 23.33 H new