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 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= -0.0509 (180deg=-0.294) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.618 USER MOD Single : A 32 SER OG : rot 180:sc= 0.00814 USER MOD Single : A 37 THR OG1 : rot 79:sc= 0.287 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.824 X(o=-0.82,f=-0.34) USER MOD Single : A 60 THR OG1 : rot -7:sc= 0.685 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N ILE A 10 0.546 -11.793 6.429 1.00 34.13 N ATOM 130 CA ILE A 10 1.539 -10.873 5.891 1.00 42.40 C ATOM 131 C ILE A 10 2.348 -10.223 7.008 1.00 5.11 C ATOM 132 O ILE A 10 1.791 -9.713 7.980 1.00 12.43 O ATOM 133 CB ILE A 10 0.882 -9.769 5.041 1.00 21.15 C ATOM 134 CG1 ILE A 10 -0.016 -10.389 3.968 1.00 0.52 C ATOM 135 CG2 ILE A 10 1.945 -8.887 4.405 1.00 45.22 C ATOM 136 CD1 ILE A 10 0.738 -11.228 2.961 1.00 73.13 C ATOM 0 HA ILE A 10 2.203 -11.461 5.258 1.00 42.40 H new ATOM 0 HB ILE A 10 0.265 -9.149 5.691 1.00 21.15 H new ATOM 0 HG12 ILE A 10 -0.772 -11.008 4.451 1.00 0.52 H new ATOM 0 HG13 ILE A 10 -0.544 -9.593 3.443 1.00 0.52 H new ATOM 0 HG21 ILE A 10 1.465 -8.112 3.808 1.00 45.22 H new ATOM 0 HG22 ILE A 10 2.547 -8.423 5.186 1.00 45.22 H new ATOM 0 HG23 ILE A 10 2.586 -9.494 3.765 1.00 45.22 H new ATOM 0 HD11 ILE A 10 0.039 -11.636 2.231 1.00 73.13 H new ATOM 0 HD12 ILE A 10 1.475 -10.608 2.451 1.00 73.13 H new ATOM 0 HD13 ILE A 10 1.244 -12.045 3.475 1.00 73.13 H new ATOM 148 N THR A 11 3.670 -10.246 6.863 1.00 2.43 N ATOM 149 CA THR A 11 4.558 -9.658 7.860 1.00 63.10 C ATOM 150 C THR A 11 5.033 -8.276 7.427 1.00 60.13 C ATOM 151 O THR A 11 5.948 -8.150 6.613 1.00 4.05 O ATOM 152 CB THR A 11 5.785 -10.554 8.114 1.00 4.14 C ATOM 153 OG1 THR A 11 5.383 -11.925 8.197 1.00 10.02 O ATOM 154 CG2 THR A 11 6.493 -10.149 9.399 1.00 43.21 C ATOM 0 H THR A 11 4.149 -10.665 6.066 1.00 2.43 H new ATOM 0 HA THR A 11 3.984 -9.568 8.782 1.00 63.10 H new ATOM 0 HB THR A 11 6.477 -10.429 7.281 1.00 4.14 H new ATOM 0 HG1 THR A 11 6.169 -12.487 8.357 1.00 10.02 H new ATOM 0 HG21 THR A 11 7.356 -10.795 9.558 1.00 43.21 H new ATOM 0 HG22 THR A 11 6.824 -9.114 9.321 1.00 43.21 H new ATOM 0 HG23 THR A 11 5.806 -10.248 10.240 1.00 43.21 H new ATOM 162 N TRP A 12 4.405 -7.242 7.975 1.00 20.41 N ATOM 163 CA TRP A 12 4.765 -5.868 7.645 1.00 33.13 C ATOM 164 C TRP A 12 5.918 -5.383 8.517 1.00 3.30 C ATOM 165 O TRP A 12 5.726 -5.043 9.684 1.00 60.10 O ATOM 166 CB TRP A 12 3.556 -4.947 7.820 1.00 41.55 C ATOM 167 CG TRP A 12 2.414 -5.289 6.911 1.00 15.53 C ATOM 168 CD1 TRP A 12 1.202 -5.802 7.277 1.00 73.34 C ATOM 169 CD2 TRP A 12 2.377 -5.144 5.488 1.00 44.13 C ATOM 170 NE1 TRP A 12 0.414 -5.984 6.166 1.00 34.51 N ATOM 171 CE2 TRP A 12 1.112 -5.587 5.056 1.00 33.41 C ATOM 172 CE3 TRP A 12 3.289 -4.680 4.535 1.00 24.14 C ATOM 173 CZ2 TRP A 12 0.739 -5.582 3.714 1.00 20.21 C ATOM 174 CZ3 TRP A 12 2.918 -4.675 3.204 1.00 35.15 C ATOM 175 CH2 TRP A 12 1.652 -5.123 2.804 1.00 63.14 C ATOM 0 H TRP A 12 3.645 -7.329 8.649 1.00 20.41 H new ATOM 0 HA TRP A 12 5.086 -5.843 6.604 1.00 33.13 H new ATOM 0 HB2 TRP A 12 3.216 -4.998 8.854 1.00 41.55 H new ATOM 0 HB3 TRP A 12 3.863 -3.917 7.635 1.00 41.55 H new ATOM 0 HD1 TRP A 12 0.907 -6.031 8.290 1.00 73.34 H new ATOM 0 HE1 TRP A 12 -0.536 -6.355 6.168 1.00 34.51 H new ATOM 0 HE3 TRP A 12 4.267 -4.332 4.834 1.00 24.14 H new ATOM 0 HZ2 TRP A 12 -0.236 -5.928 3.403 1.00 20.21 H new ATOM 0 HZ3 TRP A 12 3.615 -4.320 2.460 1.00 35.15 H new ATOM 0 HH2 TRP A 12 1.392 -5.106 1.756 1.00 63.14 H new ATOM 186 N ARG A 13 7.116 -5.353 7.942 1.00 44.12 N ATOM 187 CA ARG A 13 8.300 -4.910 8.668 1.00 42.42 C ATOM 188 C ARG A 13 8.577 -3.432 8.406 1.00 21.22 C ATOM 189 O ARG A 13 7.934 -2.809 7.563 1.00 41.54 O ATOM 190 CB ARG A 13 9.515 -5.746 8.262 1.00 22.44 C ATOM 191 CG ARG A 13 9.396 -7.215 8.638 1.00 41.22 C ATOM 192 CD ARG A 13 10.186 -8.099 7.686 1.00 25.22 C ATOM 193 NE ARG A 13 11.622 -7.837 7.761 1.00 61.54 N ATOM 194 CZ ARG A 13 12.508 -8.355 6.917 1.00 75.14 C ATOM 195 NH1 ARG A 13 12.107 -9.157 5.940 1.00 75.10 N ATOM 196 NH2 ARG A 13 13.796 -8.070 7.048 1.00 20.21 N ATOM 0 H ARG A 13 7.292 -5.630 6.976 1.00 44.12 H new ATOM 0 HA ARG A 13 8.114 -5.044 9.734 1.00 42.42 H new ATOM 0 HB2 ARG A 13 9.657 -5.666 7.184 1.00 22.44 H new ATOM 0 HB3 ARG A 13 10.406 -5.330 8.733 1.00 22.44 H new ATOM 0 HG2 ARG A 13 9.757 -7.362 9.656 1.00 41.22 H new ATOM 0 HG3 ARG A 13 8.347 -7.511 8.626 1.00 41.22 H new ATOM 0 HD2 ARG A 13 9.996 -9.146 7.921 1.00 25.22 H new ATOM 0 HD3 ARG A 13 9.840 -7.933 6.666 1.00 25.22 H new ATOM 0 HE ARG A 13 11.962 -7.223 8.501 1.00 61.54 H new ATOM 0 HH11 ARG A 13 11.117 -9.377 5.835 1.00 75.10 H new ATOM 0 HH12 ARG A 13 12.789 -9.553 5.293 1.00 75.10 H new ATOM 0 HH21 ARG A 13 14.108 -7.452 7.797 1.00 20.21 H new ATOM 0 HH22 ARG A 13 14.475 -8.468 6.399 1.00 20.21 H new ATOM 210 N LYS A 14 9.538 -2.878 9.138 1.00 43.24 N ATOM 211 CA LYS A 14 9.902 -1.474 8.986 1.00 44.03 C ATOM 212 C LYS A 14 10.410 -1.193 7.575 1.00 42.52 C ATOM 213 O LYS A 14 10.174 -0.118 7.024 1.00 51.11 O ATOM 214 CB LYS A 14 10.971 -1.089 10.010 1.00 44.12 C ATOM 215 CG LYS A 14 12.289 -1.820 9.818 1.00 53.41 C ATOM 216 CD LYS A 14 12.942 -2.151 11.149 1.00 21.32 C ATOM 217 CE LYS A 14 14.273 -2.862 10.955 1.00 60.42 C ATOM 218 NZ LYS A 14 14.940 -3.154 12.254 1.00 43.13 N ATOM 0 H LYS A 14 10.079 -3.380 9.842 1.00 43.24 H new ATOM 0 HA LYS A 14 9.009 -0.873 9.158 1.00 44.03 H new ATOM 0 HB2 LYS A 14 11.149 -0.015 9.951 1.00 44.12 H new ATOM 0 HB3 LYS A 14 10.594 -1.295 11.012 1.00 44.12 H new ATOM 0 HG2 LYS A 14 12.118 -2.739 9.257 1.00 53.41 H new ATOM 0 HG3 LYS A 14 12.964 -1.205 9.224 1.00 53.41 H new ATOM 0 HD2 LYS A 14 13.098 -1.234 11.717 1.00 21.32 H new ATOM 0 HD3 LYS A 14 12.274 -2.781 11.737 1.00 21.32 H new ATOM 0 HE2 LYS A 14 14.112 -3.793 10.412 1.00 60.42 H new ATOM 0 HE3 LYS A 14 14.928 -2.245 10.341 1.00 60.42 H new ATOM 0 HZ1 LYS A 14 15.843 -3.639 12.079 1.00 43.13 H new ATOM 0 HZ2 LYS A 14 15.117 -2.263 12.761 1.00 43.13 H new ATOM 0 HZ3 LYS A 14 14.326 -3.764 12.830 1.00 43.13 H new ATOM 232 N GLN A 15 11.107 -2.165 6.996 1.00 33.55 N ATOM 233 CA GLN A 15 11.647 -2.022 5.650 1.00 51.32 C ATOM 234 C GLN A 15 10.565 -2.259 4.602 1.00 4.51 C ATOM 235 O GLN A 15 10.486 -1.542 3.604 1.00 11.40 O ATOM 236 CB GLN A 15 12.805 -2.998 5.435 1.00 31.43 C ATOM 237 CG GLN A 15 13.721 -3.131 6.641 1.00 32.34 C ATOM 238 CD GLN A 15 15.189 -3.117 6.264 1.00 53.04 C ATOM 239 OE1 GLN A 15 15.739 -4.129 5.828 1.00 34.14 O ATOM 240 NE2 GLN A 15 15.832 -1.967 6.430 1.00 51.22 N ATOM 0 H GLN A 15 11.311 -3.061 7.439 1.00 33.55 H new ATOM 0 HA GLN A 15 12.016 -1.002 5.540 1.00 51.32 H new ATOM 0 HB2 GLN A 15 12.401 -3.979 5.186 1.00 31.43 H new ATOM 0 HB3 GLN A 15 13.392 -2.669 4.578 1.00 31.43 H new ATOM 0 HG2 GLN A 15 13.521 -2.316 7.336 1.00 32.34 H new ATOM 0 HG3 GLN A 15 13.493 -4.059 7.165 1.00 32.34 H new ATOM 0 HE21 GLN A 15 15.336 -1.153 6.794 1.00 51.22 H new ATOM 0 HE22 GLN A 15 16.822 -1.897 6.193 1.00 51.22 H new ATOM 249 N ASP A 16 9.734 -3.269 4.834 1.00 5.15 N ATOM 250 CA ASP A 16 8.656 -3.601 3.910 1.00 31.21 C ATOM 251 C ASP A 16 7.815 -2.368 3.592 1.00 21.23 C ATOM 252 O ASP A 16 7.635 -2.010 2.428 1.00 53.04 O ATOM 253 CB ASP A 16 7.771 -4.700 4.499 1.00 51.34 C ATOM 254 CG ASP A 16 6.881 -5.347 3.457 1.00 74.34 C ATOM 255 OD1 ASP A 16 6.624 -4.706 2.416 1.00 30.00 O ATOM 256 OD2 ASP A 16 6.440 -6.494 3.681 1.00 64.52 O ATOM 0 H ASP A 16 9.786 -3.872 5.655 1.00 5.15 H new ATOM 0 HA ASP A 16 9.102 -3.963 2.984 1.00 31.21 H new ATOM 0 HB2 ASP A 16 8.400 -5.462 4.959 1.00 51.34 H new ATOM 0 HB3 ASP A 16 7.151 -4.278 5.291 1.00 51.34 H new ATOM 261 N LEU A 17 7.301 -1.725 4.635 1.00 74.33 N ATOM 262 CA LEU A 17 6.476 -0.533 4.467 1.00 33.41 C ATOM 263 C LEU A 17 7.238 0.554 3.715 1.00 2.34 C ATOM 264 O LEU A 17 6.651 1.329 2.959 1.00 31.50 O ATOM 265 CB LEU A 17 6.024 -0.006 5.829 1.00 34.15 C ATOM 266 CG LEU A 17 4.823 -0.714 6.458 1.00 34.32 C ATOM 267 CD1 LEU A 17 4.932 -0.705 7.975 1.00 13.13 C ATOM 268 CD2 LEU A 17 3.524 -0.061 6.010 1.00 21.13 C ATOM 0 H LEU A 17 7.441 -2.008 5.605 1.00 74.33 H new ATOM 0 HA LEU A 17 5.598 -0.807 3.882 1.00 33.41 H new ATOM 0 HB2 LEU A 17 6.864 -0.075 6.520 1.00 34.15 H new ATOM 0 HB3 LEU A 17 5.783 1.052 5.725 1.00 34.15 H new ATOM 0 HG LEU A 17 4.819 -1.751 6.121 1.00 34.32 H new ATOM 0 HD11 LEU A 17 4.069 -1.213 8.405 1.00 13.13 H new ATOM 0 HD12 LEU A 17 5.844 -1.220 8.277 1.00 13.13 H new ATOM 0 HD13 LEU A 17 4.962 0.325 8.332 1.00 13.13 H new ATOM 0 HD21 LEU A 17 2.680 -0.578 6.467 1.00 21.13 H new ATOM 0 HD22 LEU A 17 3.518 0.985 6.316 1.00 21.13 H new ATOM 0 HD23 LEU A 17 3.442 -0.122 4.925 1.00 21.13 H new ATOM 280 N ASP A 18 8.548 0.606 3.929 1.00 61.12 N ATOM 281 CA ASP A 18 9.392 1.596 3.269 1.00 14.11 C ATOM 282 C ASP A 18 9.218 1.535 1.755 1.00 43.30 C ATOM 283 O ASP A 18 9.416 2.531 1.057 1.00 33.22 O ATOM 284 CB ASP A 18 10.860 1.373 3.636 1.00 73.32 C ATOM 285 CG ASP A 18 11.594 2.672 3.902 1.00 31.53 C ATOM 286 OD1 ASP A 18 11.593 3.127 5.066 1.00 71.33 O ATOM 287 OD2 ASP A 18 12.171 3.233 2.948 1.00 40.14 O ATOM 0 H ASP A 18 9.049 -0.026 4.554 1.00 61.12 H new ATOM 0 HA ASP A 18 9.087 2.584 3.612 1.00 14.11 H new ATOM 0 HB2 ASP A 18 10.918 0.739 4.520 1.00 73.32 H new ATOM 0 HB3 ASP A 18 11.357 0.838 2.827 1.00 73.32 H new ATOM 292 N ARG A 19 8.850 0.362 1.253 1.00 72.14 N ATOM 293 CA ARG A 19 8.652 0.171 -0.179 1.00 54.33 C ATOM 294 C ARG A 19 7.294 0.710 -0.617 1.00 11.41 C ATOM 295 O ARG A 19 7.200 1.491 -1.565 1.00 12.40 O ATOM 296 CB ARG A 19 8.763 -1.312 -0.538 1.00 45.51 C ATOM 297 CG ARG A 19 9.325 -1.561 -1.929 1.00 4.34 C ATOM 298 CD ARG A 19 9.119 -3.003 -2.363 1.00 34.44 C ATOM 299 NE ARG A 19 10.020 -3.385 -3.446 1.00 50.31 N ATOM 300 CZ ARG A 19 9.913 -2.925 -4.688 1.00 2.52 C ATOM 301 NH1 ARG A 19 8.947 -2.071 -5.001 1.00 23.31 N ATOM 302 NH2 ARG A 19 10.773 -3.318 -5.618 1.00 72.23 N ATOM 0 H ARG A 19 8.683 -0.472 1.817 1.00 72.14 H new ATOM 0 HA ARG A 19 9.430 0.725 -0.704 1.00 54.33 H new ATOM 0 HB2 ARG A 19 9.398 -1.808 0.196 1.00 45.51 H new ATOM 0 HB3 ARG A 19 7.776 -1.769 -0.467 1.00 45.51 H new ATOM 0 HG2 ARG A 19 8.843 -0.893 -2.642 1.00 4.34 H new ATOM 0 HG3 ARG A 19 10.389 -1.325 -1.940 1.00 4.34 H new ATOM 0 HD2 ARG A 19 9.277 -3.664 -1.511 1.00 34.44 H new ATOM 0 HD3 ARG A 19 8.087 -3.140 -2.685 1.00 34.44 H new ATOM 0 HE ARG A 19 10.773 -4.041 -3.238 1.00 50.31 H new ATOM 0 HH11 ARG A 19 8.285 -1.766 -4.288 1.00 23.31 H new ATOM 0 HH12 ARG A 19 8.867 -1.719 -5.955 1.00 23.31 H new ATOM 0 HH21 ARG A 19 11.517 -3.974 -5.380 1.00 72.23 H new ATOM 0 HH22 ARG A 19 10.690 -2.964 -6.571 1.00 72.23 H new ATOM 316 N LEU A 20 6.244 0.289 0.079 1.00 53.52 N ATOM 317 CA LEU A 20 4.889 0.729 -0.238 1.00 4.31 C ATOM 318 C LEU A 20 4.814 2.251 -0.311 1.00 52.35 C ATOM 319 O LEU A 20 4.197 2.810 -1.218 1.00 51.21 O ATOM 320 CB LEU A 20 3.904 0.208 0.810 1.00 11.11 C ATOM 321 CG LEU A 20 2.496 0.803 0.763 1.00 72.24 C ATOM 322 CD1 LEU A 20 1.797 0.417 -0.532 1.00 33.23 C ATOM 323 CD2 LEU A 20 1.684 0.348 1.966 1.00 12.31 C ATOM 0 H LEU A 20 6.304 -0.356 0.867 1.00 53.52 H new ATOM 0 HA LEU A 20 4.620 0.323 -1.213 1.00 4.31 H new ATOM 0 HB2 LEU A 20 3.824 -0.873 0.698 1.00 11.11 H new ATOM 0 HB3 LEU A 20 4.323 0.396 1.798 1.00 11.11 H new ATOM 0 HG LEU A 20 2.580 1.889 0.797 1.00 72.24 H new ATOM 0 HD11 LEU A 20 0.796 0.849 -0.548 1.00 33.23 H new ATOM 0 HD12 LEU A 20 2.369 0.794 -1.380 1.00 33.23 H new ATOM 0 HD13 LEU A 20 1.724 -0.669 -0.597 1.00 33.23 H new ATOM 0 HD21 LEU A 20 0.685 0.781 1.916 1.00 12.31 H new ATOM 0 HD22 LEU A 20 1.608 -0.739 1.964 1.00 12.31 H new ATOM 0 HD23 LEU A 20 2.176 0.676 2.882 1.00 12.31 H new ATOM 335 N LYS A 21 5.447 2.916 0.649 1.00 31.12 N ATOM 336 CA LYS A 21 5.456 4.373 0.694 1.00 42.34 C ATOM 337 C LYS A 21 5.964 4.954 -0.623 1.00 3.53 C ATOM 338 O LYS A 21 5.350 5.859 -1.190 1.00 63.31 O ATOM 339 CB LYS A 21 6.329 4.863 1.851 1.00 41.54 C ATOM 340 CG LYS A 21 6.132 6.334 2.180 1.00 21.42 C ATOM 341 CD LYS A 21 7.377 6.934 2.813 1.00 61.04 C ATOM 342 CE LYS A 21 7.294 6.917 4.332 1.00 73.22 C ATOM 343 NZ LYS A 21 8.192 7.933 4.947 1.00 15.02 N ATOM 0 H LYS A 21 5.961 2.468 1.408 1.00 31.12 H new ATOM 0 HA LYS A 21 4.433 4.714 0.851 1.00 42.34 H new ATOM 0 HB2 LYS A 21 6.110 4.268 2.738 1.00 41.54 H new ATOM 0 HB3 LYS A 21 7.376 4.692 1.603 1.00 41.54 H new ATOM 0 HG2 LYS A 21 5.885 6.882 1.270 1.00 21.42 H new ATOM 0 HG3 LYS A 21 5.287 6.446 2.859 1.00 21.42 H new ATOM 0 HD2 LYS A 21 8.256 6.376 2.489 1.00 61.04 H new ATOM 0 HD3 LYS A 21 7.505 7.959 2.466 1.00 61.04 H new ATOM 0 HE2 LYS A 21 6.266 7.106 4.642 1.00 73.22 H new ATOM 0 HE3 LYS A 21 7.561 5.926 4.699 1.00 73.22 H new ATOM 0 HZ1 LYS A 21 8.107 7.890 5.983 1.00 15.02 H new ATOM 0 HZ2 LYS A 21 9.176 7.738 4.672 1.00 15.02 H new ATOM 0 HZ3 LYS A 21 7.921 8.881 4.616 1.00 15.02 H new ATOM 357 N ARG A 22 7.087 4.429 -1.102 1.00 73.40 N ATOM 358 CA ARG A 22 7.676 4.896 -2.352 1.00 35.33 C ATOM 359 C ARG A 22 6.670 4.802 -3.496 1.00 21.34 C ATOM 360 O ARG A 22 6.759 5.541 -4.476 1.00 23.41 O ATOM 361 CB ARG A 22 8.924 4.078 -2.688 1.00 15.14 C ATOM 362 CG ARG A 22 10.146 4.929 -2.991 1.00 54.20 C ATOM 363 CD ARG A 22 11.357 4.069 -3.316 1.00 32.30 C ATOM 364 NE ARG A 22 12.161 4.640 -4.394 1.00 61.43 N ATOM 365 CZ ARG A 22 13.049 3.945 -5.096 1.00 63.00 C ATOM 366 NH1 ARG A 22 13.246 2.660 -4.835 1.00 53.33 N ATOM 367 NH2 ARG A 22 13.741 4.535 -6.061 1.00 44.55 N ATOM 0 H ARG A 22 7.607 3.681 -0.644 1.00 73.40 H new ATOM 0 HA ARG A 22 7.958 5.941 -2.224 1.00 35.33 H new ATOM 0 HB2 ARG A 22 9.151 3.416 -1.852 1.00 15.14 H new ATOM 0 HB3 ARG A 22 8.711 3.443 -3.548 1.00 15.14 H new ATOM 0 HG2 ARG A 22 9.931 5.590 -3.831 1.00 54.20 H new ATOM 0 HG3 ARG A 22 10.369 5.565 -2.134 1.00 54.20 H new ATOM 0 HD2 ARG A 22 11.973 3.959 -2.424 1.00 32.30 H new ATOM 0 HD3 ARG A 22 11.026 3.070 -3.601 1.00 32.30 H new ATOM 0 HE ARG A 22 12.033 5.626 -4.620 1.00 61.43 H new ATOM 0 HH11 ARG A 22 12.715 2.203 -4.094 1.00 53.33 H new ATOM 0 HH12 ARG A 22 13.928 2.129 -5.376 1.00 53.33 H new ATOM 0 HH21 ARG A 22 13.592 5.523 -6.265 1.00 44.55 H new ATOM 0 HH22 ARG A 22 14.423 4.001 -6.600 1.00 44.55 H new ATOM 381 N VAL A 23 5.713 3.888 -3.362 1.00 41.44 N ATOM 382 CA VAL A 23 4.690 3.698 -4.384 1.00 52.52 C ATOM 383 C VAL A 23 3.556 4.704 -4.220 1.00 1.14 C ATOM 384 O VAL A 23 3.114 5.322 -5.190 1.00 22.34 O ATOM 385 CB VAL A 23 4.109 2.273 -4.338 1.00 75.01 C ATOM 386 CG1 VAL A 23 3.202 2.028 -5.534 1.00 13.01 C ATOM 387 CG2 VAL A 23 5.227 1.244 -4.286 1.00 20.02 C ATOM 0 H VAL A 23 5.625 3.268 -2.557 1.00 41.44 H new ATOM 0 HA VAL A 23 5.173 3.854 -5.349 1.00 52.52 H new ATOM 0 HB VAL A 23 3.511 2.171 -3.432 1.00 75.01 H new ATOM 0 HG11 VAL A 23 2.800 1.016 -5.485 1.00 13.01 H new ATOM 0 HG12 VAL A 23 2.381 2.745 -5.521 1.00 13.01 H new ATOM 0 HG13 VAL A 23 3.773 2.147 -6.454 1.00 13.01 H new ATOM 0 HG21 VAL A 23 4.798 0.242 -4.254 1.00 20.02 H new ATOM 0 HG22 VAL A 23 5.854 1.342 -5.172 1.00 20.02 H new ATOM 0 HG23 VAL A 23 5.832 1.409 -3.394 1.00 20.02 H new ATOM 397 N ILE A 24 3.089 4.864 -2.986 1.00 24.14 N ATOM 398 CA ILE A 24 2.007 5.796 -2.694 1.00 71.22 C ATOM 399 C ILE A 24 2.380 7.218 -3.100 1.00 64.13 C ATOM 400 O ILE A 24 1.528 7.998 -3.521 1.00 61.34 O ATOM 401 CB ILE A 24 1.640 5.782 -1.198 1.00 74.54 C ATOM 402 CG1 ILE A 24 1.226 4.373 -0.766 1.00 53.51 C ATOM 403 CG2 ILE A 24 0.524 6.777 -0.917 1.00 73.13 C ATOM 404 CD1 ILE A 24 1.062 4.225 0.731 1.00 54.32 C ATOM 0 H ILE A 24 3.443 4.360 -2.173 1.00 24.14 H new ATOM 0 HA ILE A 24 1.145 5.469 -3.275 1.00 71.22 H new ATOM 0 HB ILE A 24 2.516 6.077 -0.621 1.00 74.54 H new ATOM 0 HG12 ILE A 24 0.287 4.113 -1.254 1.00 53.51 H new ATOM 0 HG13 ILE A 24 1.974 3.660 -1.114 1.00 53.51 H new ATOM 0 HG21 ILE A 24 0.276 6.755 0.144 1.00 73.13 H new ATOM 0 HG22 ILE A 24 0.852 7.779 -1.193 1.00 73.13 H new ATOM 0 HG23 ILE A 24 -0.357 6.510 -1.501 1.00 73.13 H new ATOM 0 HD11 ILE A 24 0.768 3.202 0.965 1.00 54.32 H new ATOM 0 HD12 ILE A 24 2.007 4.453 1.225 1.00 54.32 H new ATOM 0 HD13 ILE A 24 0.293 4.913 1.083 1.00 54.32 H new ATOM 416 N ALA A 25 3.662 7.546 -2.972 1.00 63.43 N ATOM 417 CA ALA A 25 4.150 8.872 -3.330 1.00 25.01 C ATOM 418 C ALA A 25 4.205 9.046 -4.844 1.00 43.32 C ATOM 419 O ALA A 25 4.150 10.167 -5.352 1.00 41.51 O ATOM 420 CB ALA A 25 5.523 9.111 -2.719 1.00 1.04 C ATOM 0 H ALA A 25 4.381 6.912 -2.623 1.00 63.43 H new ATOM 0 HA ALA A 25 3.453 9.609 -2.931 1.00 25.01 H new ATOM 0 HB1 ALA A 25 5.876 10.105 -2.994 1.00 1.04 H new ATOM 0 HB2 ALA A 25 5.456 9.037 -1.634 1.00 1.04 H new ATOM 0 HB3 ALA A 25 6.222 8.362 -3.091 1.00 1.04 H new ATOM 426 N LEU A 26 4.316 7.933 -5.560 1.00 72.23 N ATOM 427 CA LEU A 26 4.379 7.963 -7.017 1.00 22.44 C ATOM 428 C LEU A 26 2.979 7.951 -7.623 1.00 72.44 C ATOM 429 O LEU A 26 2.612 8.847 -8.383 1.00 52.21 O ATOM 430 CB LEU A 26 5.182 6.770 -7.537 1.00 64.00 C ATOM 431 CG LEU A 26 6.676 7.012 -7.757 1.00 41.15 C ATOM 432 CD1 LEU A 26 7.446 5.702 -7.683 1.00 12.40 C ATOM 433 CD2 LEU A 26 6.914 7.697 -9.096 1.00 31.02 C ATOM 0 H LEU A 26 4.364 6.998 -5.155 1.00 72.23 H new ATOM 0 HA LEU A 26 4.876 8.886 -7.316 1.00 22.44 H new ATOM 0 HB2 LEU A 26 5.068 5.946 -6.833 1.00 64.00 H new ATOM 0 HB3 LEU A 26 4.744 6.446 -8.481 1.00 64.00 H new ATOM 0 HG LEU A 26 7.038 7.668 -6.966 1.00 41.15 H new ATOM 0 HD11 LEU A 26 8.507 5.894 -7.842 1.00 12.40 H new ATOM 0 HD12 LEU A 26 7.302 5.250 -6.702 1.00 12.40 H new ATOM 0 HD13 LEU A 26 7.081 5.022 -8.453 1.00 12.40 H new ATOM 0 HD21 LEU A 26 7.982 7.861 -9.236 1.00 31.02 H new ATOM 0 HD22 LEU A 26 6.536 7.066 -9.900 1.00 31.02 H new ATOM 0 HD23 LEU A 26 6.394 8.655 -9.112 1.00 31.02 H new ATOM 445 N LYS A 27 2.200 6.930 -7.281 1.00 23.13 N ATOM 446 CA LYS A 27 0.839 6.801 -7.787 1.00 3.40 C ATOM 447 C LYS A 27 -0.083 7.828 -7.137 1.00 24.33 C ATOM 448 O LYS A 27 -0.860 8.498 -7.816 1.00 34.42 O ATOM 449 CB LYS A 27 0.309 5.389 -7.531 1.00 23.01 C ATOM 450 CG LYS A 27 1.060 4.310 -8.293 1.00 25.04 C ATOM 451 CD LYS A 27 1.033 4.562 -9.790 1.00 11.40 C ATOM 452 CE LYS A 27 2.417 4.892 -10.326 1.00 4.33 C ATOM 453 NZ LYS A 27 3.357 3.747 -10.175 1.00 62.32 N ATOM 0 H LYS A 27 2.489 6.179 -6.654 1.00 23.13 H new ATOM 0 HA LYS A 27 0.859 6.985 -8.861 1.00 3.40 H new ATOM 0 HB2 LYS A 27 0.368 5.176 -6.464 1.00 23.01 H new ATOM 0 HB3 LYS A 27 -0.745 5.350 -7.806 1.00 23.01 H new ATOM 0 HG2 LYS A 27 2.093 4.272 -7.948 1.00 25.04 H new ATOM 0 HG3 LYS A 27 0.617 3.337 -8.079 1.00 25.04 H new ATOM 0 HD2 LYS A 27 0.645 3.681 -10.301 1.00 11.40 H new ATOM 0 HD3 LYS A 27 0.352 5.384 -10.009 1.00 11.40 H new ATOM 0 HE2 LYS A 27 2.343 5.165 -11.379 1.00 4.33 H new ATOM 0 HE3 LYS A 27 2.814 5.760 -9.799 1.00 4.33 H new ATOM 0 HZ1 LYS A 27 4.121 3.830 -10.876 1.00 62.32 H new ATOM 0 HZ2 LYS A 27 3.763 3.755 -9.218 1.00 62.32 H new ATOM 0 HZ3 LYS A 27 2.844 2.855 -10.326 1.00 62.32 H new ATOM 467 N LYS A 28 0.011 7.947 -5.816 1.00 41.40 N ATOM 468 CA LYS A 28 -0.813 8.894 -5.073 1.00 24.44 C ATOM 469 C LYS A 28 -2.296 8.596 -5.271 1.00 41.51 C ATOM 470 O LYS A 28 -3.007 9.311 -5.978 1.00 4.34 O ATOM 471 CB LYS A 28 -0.505 10.326 -5.515 1.00 63.30 C ATOM 472 CG LYS A 28 0.558 11.008 -4.670 1.00 10.23 C ATOM 473 CD LYS A 28 -0.011 12.197 -3.912 1.00 71.42 C ATOM 474 CE LYS A 28 0.993 12.754 -2.915 1.00 42.34 C ATOM 475 NZ LYS A 28 0.400 12.912 -1.559 1.00 60.35 N ATOM 0 H LYS A 28 0.649 7.400 -5.239 1.00 41.40 H new ATOM 0 HA LYS A 28 -0.578 8.790 -4.014 1.00 24.44 H new ATOM 0 HB2 LYS A 28 -0.178 10.314 -6.555 1.00 63.30 H new ATOM 0 HB3 LYS A 28 -1.422 10.915 -5.476 1.00 63.30 H new ATOM 0 HG2 LYS A 28 0.978 10.292 -3.964 1.00 10.23 H new ATOM 0 HG3 LYS A 28 1.375 11.340 -5.310 1.00 10.23 H new ATOM 0 HD2 LYS A 28 -0.296 12.977 -4.618 1.00 71.42 H new ATOM 0 HD3 LYS A 28 -0.918 11.895 -3.387 1.00 71.42 H new ATOM 0 HE2 LYS A 28 1.855 12.090 -2.859 1.00 42.34 H new ATOM 0 HE3 LYS A 28 1.357 13.719 -3.267 1.00 42.34 H new ATOM 0 HZ1 LYS A 28 1.116 13.294 -0.909 1.00 60.35 H new ATOM 0 HZ2 LYS A 28 -0.407 13.566 -1.607 1.00 60.35 H new ATOM 0 HZ3 LYS A 28 0.076 11.987 -1.212 1.00 60.35 H new ATOM 489 N PRO A 29 -2.775 7.520 -4.632 1.00 22.22 N ATOM 490 CA PRO A 29 -4.179 7.105 -4.721 1.00 3.31 C ATOM 491 C PRO A 29 -5.114 8.071 -4.001 1.00 22.13 C ATOM 492 O PRO A 29 -4.666 9.007 -3.340 1.00 73.12 O ATOM 493 CB PRO A 29 -4.189 5.737 -4.033 1.00 52.52 C ATOM 494 CG PRO A 29 -3.028 5.773 -3.101 1.00 64.11 C ATOM 495 CD PRO A 29 -1.984 6.623 -3.773 1.00 5.22 C ATOM 0 HA PRO A 29 -4.533 7.081 -5.752 1.00 3.31 H new ATOM 0 HB2 PRO A 29 -5.123 5.571 -3.496 1.00 52.52 H new ATOM 0 HB3 PRO A 29 -4.090 4.929 -4.758 1.00 52.52 H new ATOM 0 HG2 PRO A 29 -3.314 6.195 -2.137 1.00 64.11 H new ATOM 0 HG3 PRO A 29 -2.650 4.769 -2.910 1.00 64.11 H new ATOM 0 HD2 PRO A 29 -1.392 7.181 -3.047 1.00 5.22 H new ATOM 0 HD3 PRO A 29 -1.288 6.019 -4.356 1.00 5.22 H new ATOM 503 N SER A 30 -6.415 7.835 -4.133 1.00 73.23 N ATOM 504 CA SER A 30 -7.415 8.686 -3.498 1.00 2.23 C ATOM 505 C SER A 30 -8.404 7.852 -2.689 1.00 21.20 C ATOM 506 O SER A 30 -9.610 8.095 -2.722 1.00 5.02 O ATOM 507 CB SER A 30 -8.162 9.505 -4.552 1.00 13.13 C ATOM 508 OG SER A 30 -8.678 10.702 -3.996 1.00 13.44 O ATOM 0 H SER A 30 -6.802 7.062 -4.674 1.00 73.23 H new ATOM 0 HA SER A 30 -6.900 9.365 -2.819 1.00 2.23 H new ATOM 0 HB2 SER A 30 -7.489 9.743 -5.376 1.00 13.13 H new ATOM 0 HB3 SER A 30 -8.977 8.912 -4.967 1.00 13.13 H new ATOM 0 HG SER A 30 -9.150 11.208 -4.690 1.00 13.44 H new ATOM 514 N ALA A 31 -7.883 6.867 -1.965 1.00 31.22 N ATOM 515 CA ALA A 31 -8.719 5.997 -1.146 1.00 1.13 C ATOM 516 C ALA A 31 -9.740 5.254 -2.000 1.00 11.32 C ATOM 517 O ALA A 31 -10.916 5.618 -2.036 1.00 22.01 O ATOM 518 CB ALA A 31 -9.421 6.805 -0.064 1.00 62.24 C ATOM 0 H ALA A 31 -6.887 6.651 -1.929 1.00 31.22 H new ATOM 0 HA ALA A 31 -8.074 5.257 -0.671 1.00 1.13 H new ATOM 0 HB1 ALA A 31 -10.042 6.143 0.540 1.00 62.24 H new ATOM 0 HB2 ALA A 31 -8.677 7.285 0.572 1.00 62.24 H new ATOM 0 HB3 ALA A 31 -10.048 7.567 -0.528 1.00 62.24 H new ATOM 524 N SER A 32 -9.284 4.212 -2.687 1.00 21.10 N ATOM 525 CA SER A 32 -10.158 3.420 -3.545 1.00 63.33 C ATOM 526 C SER A 32 -9.496 2.097 -3.921 1.00 41.23 C ATOM 527 O SER A 32 -8.353 2.070 -4.378 1.00 52.13 O ATOM 528 CB SER A 32 -10.512 4.203 -4.810 1.00 42.22 C ATOM 529 OG SER A 32 -11.019 3.344 -5.817 1.00 43.33 O ATOM 0 H SER A 32 -8.314 3.896 -2.666 1.00 21.10 H new ATOM 0 HA SER A 32 -11.072 3.205 -2.992 1.00 63.33 H new ATOM 0 HB2 SER A 32 -11.252 4.967 -4.573 1.00 42.22 H new ATOM 0 HB3 SER A 32 -9.627 4.720 -5.181 1.00 42.22 H new ATOM 0 HG SER A 32 -11.239 3.869 -6.615 1.00 43.33 H new ATOM 535 N ASP A 33 -10.223 1.003 -3.725 1.00 13.20 N ATOM 536 CA ASP A 33 -9.709 -0.324 -4.044 1.00 24.02 C ATOM 537 C ASP A 33 -9.177 -0.371 -5.473 1.00 24.44 C ATOM 538 O ASP A 33 -8.250 -1.123 -5.776 1.00 4.04 O ATOM 539 CB ASP A 33 -10.804 -1.377 -3.858 1.00 45.25 C ATOM 540 CG ASP A 33 -11.389 -1.363 -2.460 1.00 54.24 C ATOM 541 OD1 ASP A 33 -10.619 -1.177 -1.496 1.00 3.04 O ATOM 542 OD2 ASP A 33 -12.618 -1.537 -2.331 1.00 32.44 O ATOM 0 H ASP A 33 -11.170 1.009 -3.347 1.00 13.20 H new ATOM 0 HA ASP A 33 -8.887 -0.542 -3.362 1.00 24.02 H new ATOM 0 HB2 ASP A 33 -11.599 -1.202 -4.583 1.00 45.25 H new ATOM 0 HB3 ASP A 33 -10.393 -2.365 -4.067 1.00 45.25 H new ATOM 547 N ALA A 34 -9.770 0.434 -6.347 1.00 3.22 N ATOM 548 CA ALA A 34 -9.354 0.485 -7.743 1.00 31.20 C ATOM 549 C ALA A 34 -8.013 1.196 -7.891 1.00 20.20 C ATOM 550 O ALA A 34 -7.062 0.638 -8.439 1.00 31.41 O ATOM 551 CB ALA A 34 -10.416 1.178 -8.584 1.00 61.52 C ATOM 0 H ALA A 34 -10.540 1.060 -6.113 1.00 3.22 H new ATOM 0 HA ALA A 34 -9.234 -0.538 -8.099 1.00 31.20 H new ATOM 0 HB1 ALA A 34 -10.093 1.209 -9.625 1.00 61.52 H new ATOM 0 HB2 ALA A 34 -11.354 0.627 -8.512 1.00 61.52 H new ATOM 0 HB3 ALA A 34 -10.563 2.194 -8.219 1.00 61.52 H new ATOM 557 N ASP A 35 -7.944 2.428 -7.401 1.00 52.21 N ATOM 558 CA ASP A 35 -6.719 3.215 -7.480 1.00 22.53 C ATOM 559 C ASP A 35 -5.561 2.484 -6.806 1.00 4.51 C ATOM 560 O ASP A 35 -4.418 2.563 -7.258 1.00 34.34 O ATOM 561 CB ASP A 35 -6.923 4.583 -6.828 1.00 12.42 C ATOM 562 CG ASP A 35 -7.220 5.669 -7.842 1.00 73.14 C ATOM 563 OD1 ASP A 35 -6.267 6.155 -8.487 1.00 14.21 O ATOM 564 OD2 ASP A 35 -8.405 6.034 -7.992 1.00 34.14 O ATOM 0 H ASP A 35 -8.722 2.904 -6.945 1.00 52.21 H new ATOM 0 HA ASP A 35 -6.474 3.357 -8.533 1.00 22.53 H new ATOM 0 HB2 ASP A 35 -7.744 4.523 -6.113 1.00 12.42 H new ATOM 0 HB3 ASP A 35 -6.029 4.851 -6.265 1.00 12.42 H new ATOM 569 N TRP A 36 -5.863 1.777 -5.724 1.00 32.30 N ATOM 570 CA TRP A 36 -4.847 1.033 -4.987 1.00 54.31 C ATOM 571 C TRP A 36 -4.270 -0.090 -5.840 1.00 71.55 C ATOM 572 O TRP A 36 -3.170 -0.579 -5.580 1.00 51.42 O ATOM 573 CB TRP A 36 -5.440 0.460 -3.699 1.00 4.10 C ATOM 574 CG TRP A 36 -5.276 1.365 -2.516 1.00 25.54 C ATOM 575 CD1 TRP A 36 -6.231 2.161 -1.954 1.00 15.42 C ATOM 576 CD2 TRP A 36 -4.083 1.567 -1.750 1.00 23.12 C ATOM 577 NE1 TRP A 36 -5.705 2.846 -0.886 1.00 12.55 N ATOM 578 CE2 TRP A 36 -4.388 2.499 -0.740 1.00 33.05 C ATOM 579 CE3 TRP A 36 -2.786 1.049 -1.819 1.00 13.44 C ATOM 580 CZ2 TRP A 36 -3.445 2.923 0.193 1.00 72.33 C ATOM 581 CZ3 TRP A 36 -1.850 1.472 -0.894 1.00 30.02 C ATOM 582 CH2 TRP A 36 -2.184 2.400 0.101 1.00 1.42 C ATOM 0 H TRP A 36 -6.804 1.703 -5.337 1.00 32.30 H new ATOM 0 HA TRP A 36 -4.041 1.721 -4.732 1.00 54.31 H new ATOM 0 HB2 TRP A 36 -6.501 0.263 -3.852 1.00 4.10 H new ATOM 0 HB3 TRP A 36 -4.966 -0.497 -3.484 1.00 4.10 H new ATOM 0 HD1 TRP A 36 -7.251 2.241 -2.299 1.00 15.42 H new ATOM 0 HE1 TRP A 36 -6.213 3.506 -0.297 1.00 12.55 H new ATOM 0 HE3 TRP A 36 -2.520 0.331 -2.581 1.00 13.44 H new ATOM 0 HZ2 TRP A 36 -3.700 3.638 0.961 1.00 72.33 H new ATOM 0 HZ3 TRP A 36 -0.844 1.081 -0.939 1.00 30.02 H new ATOM 0 HH2 TRP A 36 -1.430 2.709 0.810 1.00 1.42 H new ATOM 593 N THR A 37 -5.018 -0.496 -6.862 1.00 32.44 N ATOM 594 CA THR A 37 -4.580 -1.564 -7.752 1.00 55.14 C ATOM 595 C THR A 37 -3.253 -1.216 -8.416 1.00 44.53 C ATOM 596 O THR A 37 -2.443 -2.097 -8.704 1.00 2.24 O ATOM 597 CB THR A 37 -5.627 -1.850 -8.845 1.00 14.44 C ATOM 598 OG1 THR A 37 -6.887 -2.171 -8.243 1.00 53.35 O ATOM 599 CG2 THR A 37 -5.179 -2.996 -9.738 1.00 52.45 C ATOM 0 H THR A 37 -5.930 -0.101 -7.093 1.00 32.44 H new ATOM 0 HA THR A 37 -4.454 -2.455 -7.137 1.00 55.14 H new ATOM 0 HB THR A 37 -5.734 -0.955 -9.458 1.00 14.44 H new ATOM 0 HG1 THR A 37 -7.334 -1.346 -7.960 1.00 53.35 H new ATOM 0 HG21 THR A 37 -5.935 -3.179 -10.502 1.00 52.45 H new ATOM 0 HG22 THR A 37 -4.235 -2.737 -10.217 1.00 52.45 H new ATOM 0 HG23 THR A 37 -5.046 -3.895 -9.137 1.00 52.45 H new ATOM 607 N GLU A 38 -3.037 0.074 -8.657 1.00 65.22 N ATOM 608 CA GLU A 38 -1.806 0.536 -9.288 1.00 4.23 C ATOM 609 C GLU A 38 -0.676 0.639 -8.266 1.00 61.11 C ATOM 610 O GLU A 38 0.502 0.577 -8.619 1.00 1.11 O ATOM 611 CB GLU A 38 -2.028 1.895 -9.955 1.00 13.21 C ATOM 612 CG GLU A 38 -3.040 1.857 -11.089 1.00 12.25 C ATOM 613 CD GLU A 38 -2.384 1.808 -12.455 1.00 45.21 C ATOM 614 OE1 GLU A 38 -1.374 2.514 -12.655 1.00 2.12 O ATOM 615 OE2 GLU A 38 -2.881 1.061 -13.324 1.00 3.30 O ATOM 0 H GLU A 38 -3.697 0.816 -8.425 1.00 65.22 H new ATOM 0 HA GLU A 38 -1.522 -0.192 -10.047 1.00 4.23 H new ATOM 0 HB2 GLU A 38 -2.364 2.609 -9.203 1.00 13.21 H new ATOM 0 HB3 GLU A 38 -1.076 2.261 -10.340 1.00 13.21 H new ATOM 0 HG2 GLU A 38 -3.683 0.986 -10.968 1.00 12.25 H new ATOM 0 HG3 GLU A 38 -3.680 2.737 -11.029 1.00 12.25 H new ATOM 622 N VAL A 39 -1.044 0.796 -6.999 1.00 73.51 N ATOM 623 CA VAL A 39 -0.064 0.906 -5.926 1.00 24.03 C ATOM 624 C VAL A 39 0.380 -0.470 -5.443 1.00 34.53 C ATOM 625 O VAL A 39 1.547 -0.678 -5.111 1.00 44.31 O ATOM 626 CB VAL A 39 -0.625 1.699 -4.731 1.00 52.51 C ATOM 627 CG1 VAL A 39 0.398 1.769 -3.608 1.00 71.11 C ATOM 628 CG2 VAL A 39 -1.043 3.095 -5.169 1.00 52.35 C ATOM 0 H VAL A 39 -2.015 0.850 -6.690 1.00 73.51 H new ATOM 0 HA VAL A 39 0.794 1.439 -6.336 1.00 24.03 H new ATOM 0 HB VAL A 39 -1.507 1.180 -4.355 1.00 52.51 H new ATOM 0 HG11 VAL A 39 -0.017 2.333 -2.773 1.00 71.11 H new ATOM 0 HG12 VAL A 39 0.645 0.760 -3.277 1.00 71.11 H new ATOM 0 HG13 VAL A 39 1.300 2.264 -3.968 1.00 71.11 H new ATOM 0 HG21 VAL A 39 -1.437 3.642 -4.313 1.00 52.35 H new ATOM 0 HG22 VAL A 39 -0.179 3.624 -5.571 1.00 52.35 H new ATOM 0 HG23 VAL A 39 -1.813 3.020 -5.937 1.00 52.35 H new ATOM 638 N LEU A 40 -0.559 -1.409 -5.406 1.00 72.42 N ATOM 639 CA LEU A 40 -0.266 -2.768 -4.965 1.00 62.30 C ATOM 640 C LEU A 40 0.391 -3.574 -6.081 1.00 30.51 C ATOM 641 O LEU A 40 1.030 -4.596 -5.829 1.00 42.22 O ATOM 642 CB LEU A 40 -1.548 -3.464 -4.504 1.00 70.23 C ATOM 643 CG LEU A 40 -2.226 -4.370 -5.534 1.00 32.55 C ATOM 644 CD1 LEU A 40 -1.670 -5.783 -5.450 1.00 31.53 C ATOM 645 CD2 LEU A 40 -3.735 -4.376 -5.327 1.00 41.32 C ATOM 0 H LEU A 40 -1.530 -1.254 -5.676 1.00 72.42 H new ATOM 0 HA LEU A 40 0.429 -2.709 -4.128 1.00 62.30 H new ATOM 0 HB2 LEU A 40 -1.317 -4.060 -3.621 1.00 70.23 H new ATOM 0 HB3 LEU A 40 -2.262 -2.700 -4.195 1.00 70.23 H new ATOM 0 HG LEU A 40 -2.016 -3.977 -6.529 1.00 32.55 H new ATOM 0 HD11 LEU A 40 -2.164 -6.413 -6.190 1.00 31.53 H new ATOM 0 HD12 LEU A 40 -0.598 -5.765 -5.647 1.00 31.53 H new ATOM 0 HD13 LEU A 40 -1.849 -6.186 -4.453 1.00 31.53 H new ATOM 0 HD21 LEU A 40 -4.201 -5.025 -6.068 1.00 41.32 H new ATOM 0 HD22 LEU A 40 -3.964 -4.744 -4.327 1.00 41.32 H new ATOM 0 HD23 LEU A 40 -4.121 -3.363 -5.438 1.00 41.32 H new ATOM 657 N ARG A 41 0.231 -3.106 -7.315 1.00 32.45 N ATOM 658 CA ARG A 41 0.809 -3.783 -8.469 1.00 34.20 C ATOM 659 C ARG A 41 2.295 -4.050 -8.254 1.00 63.30 C ATOM 660 O ARG A 41 2.838 -5.038 -8.752 1.00 32.55 O ATOM 661 CB ARG A 41 0.608 -2.943 -9.732 1.00 52.23 C ATOM 662 CG ARG A 41 1.649 -1.848 -9.907 1.00 73.45 C ATOM 663 CD ARG A 41 1.252 -0.875 -11.007 1.00 5.43 C ATOM 664 NE ARG A 41 2.293 0.118 -11.259 1.00 2.12 N ATOM 665 CZ ARG A 41 3.375 -0.122 -11.992 1.00 42.21 C ATOM 666 NH1 ARG A 41 3.556 -1.315 -12.543 1.00 14.41 N ATOM 667 NH2 ARG A 41 4.278 0.833 -12.177 1.00 61.03 N ATOM 0 H ARG A 41 -0.294 -2.261 -7.541 1.00 32.45 H new ATOM 0 HA ARG A 41 0.300 -4.739 -8.591 1.00 34.20 H new ATOM 0 HB2 ARG A 41 0.633 -3.599 -10.602 1.00 52.23 H new ATOM 0 HB3 ARG A 41 -0.383 -2.490 -9.703 1.00 52.23 H new ATOM 0 HG2 ARG A 41 1.772 -1.308 -8.968 1.00 73.45 H new ATOM 0 HG3 ARG A 41 2.614 -2.296 -10.146 1.00 73.45 H new ATOM 0 HD2 ARG A 41 1.048 -1.428 -11.924 1.00 5.43 H new ATOM 0 HD3 ARG A 41 0.328 -0.369 -10.728 1.00 5.43 H new ATOM 0 HE ARG A 41 2.183 1.046 -10.850 1.00 2.12 H new ATOM 0 HH11 ARG A 41 2.864 -2.051 -12.405 1.00 14.41 H new ATOM 0 HH12 ARG A 41 4.388 -1.496 -13.105 1.00 14.41 H new ATOM 0 HH21 ARG A 41 4.142 1.752 -11.756 1.00 61.03 H new ATOM 0 HH22 ARG A 41 5.108 0.648 -12.740 1.00 61.03 H new ATOM 681 N LEU A 42 2.949 -3.164 -7.511 1.00 63.22 N ATOM 682 CA LEU A 42 4.374 -3.304 -7.230 1.00 71.34 C ATOM 683 C LEU A 42 4.605 -4.219 -6.031 1.00 42.53 C ATOM 684 O LEU A 42 5.464 -5.102 -6.068 1.00 14.02 O ATOM 685 CB LEU A 42 4.999 -1.933 -6.969 1.00 4.12 C ATOM 686 CG LEU A 42 5.760 -1.307 -8.138 1.00 72.42 C ATOM 687 CD1 LEU A 42 4.849 -1.154 -9.346 1.00 32.03 C ATOM 688 CD2 LEU A 42 6.346 0.038 -7.736 1.00 34.13 C ATOM 0 H LEU A 42 2.516 -2.341 -7.092 1.00 63.22 H new ATOM 0 HA LEU A 42 4.850 -3.753 -8.102 1.00 71.34 H new ATOM 0 HB2 LEU A 42 4.207 -1.247 -6.668 1.00 4.12 H new ATOM 0 HB3 LEU A 42 5.682 -2.022 -6.124 1.00 4.12 H new ATOM 0 HG LEU A 42 6.581 -1.971 -8.409 1.00 72.42 H new ATOM 0 HD11 LEU A 42 5.407 -0.707 -10.168 1.00 32.03 H new ATOM 0 HD12 LEU A 42 4.479 -2.133 -9.649 1.00 32.03 H new ATOM 0 HD13 LEU A 42 4.007 -0.512 -9.088 1.00 32.03 H new ATOM 0 HD21 LEU A 42 6.884 0.468 -8.581 1.00 34.13 H new ATOM 0 HD22 LEU A 42 5.542 0.711 -7.438 1.00 34.13 H new ATOM 0 HD23 LEU A 42 7.033 -0.099 -6.901 1.00 34.13 H new ATOM 700 N LEU A 43 3.835 -4.002 -4.972 1.00 22.44 N ATOM 701 CA LEU A 43 3.954 -4.809 -3.761 1.00 54.22 C ATOM 702 C LEU A 43 3.538 -6.252 -4.026 1.00 1.45 C ATOM 703 O LEU A 43 3.809 -7.144 -3.222 1.00 14.52 O ATOM 704 CB LEU A 43 3.095 -4.215 -2.643 1.00 3.50 C ATOM 705 CG LEU A 43 3.835 -3.834 -1.360 1.00 11.30 C ATOM 706 CD1 LEU A 43 2.851 -3.386 -0.290 1.00 44.12 C ATOM 707 CD2 LEU A 43 4.674 -5.000 -0.861 1.00 22.24 C ATOM 0 H LEU A 43 3.121 -3.275 -4.926 1.00 22.44 H new ATOM 0 HA LEU A 43 4.999 -4.803 -3.450 1.00 54.22 H new ATOM 0 HB2 LEU A 43 2.596 -3.326 -3.029 1.00 3.50 H new ATOM 0 HB3 LEU A 43 2.316 -4.934 -2.390 1.00 3.50 H new ATOM 0 HG LEU A 43 4.503 -3.002 -1.582 1.00 11.30 H new ATOM 0 HD11 LEU A 43 3.395 -3.119 0.616 1.00 44.12 H new ATOM 0 HD12 LEU A 43 2.294 -2.520 -0.648 1.00 44.12 H new ATOM 0 HD13 LEU A 43 2.158 -4.198 -0.070 1.00 44.12 H new ATOM 0 HD21 LEU A 43 5.193 -4.710 0.053 1.00 22.24 H new ATOM 0 HD22 LEU A 43 4.027 -5.852 -0.655 1.00 22.24 H new ATOM 0 HD23 LEU A 43 5.405 -5.274 -1.622 1.00 22.24 H new ATOM 719 N ALA A 44 2.881 -6.474 -5.159 1.00 21.40 N ATOM 720 CA ALA A 44 2.432 -7.811 -5.532 1.00 14.45 C ATOM 721 C ALA A 44 3.609 -8.775 -5.644 1.00 14.51 C ATOM 722 O ALA A 44 3.433 -9.992 -5.604 1.00 61.50 O ATOM 723 CB ALA A 44 1.661 -7.761 -6.843 1.00 12.04 C ATOM 0 H ALA A 44 2.648 -5.746 -5.835 1.00 21.40 H new ATOM 0 HA ALA A 44 1.770 -8.178 -4.747 1.00 14.45 H new ATOM 0 HB1 ALA A 44 1.332 -8.765 -7.110 1.00 12.04 H new ATOM 0 HB2 ALA A 44 0.792 -7.112 -6.730 1.00 12.04 H new ATOM 0 HB3 ALA A 44 2.306 -7.370 -7.630 1.00 12.04 H new ATOM 729 N LYS A 45 4.808 -8.221 -5.785 1.00 65.25 N ATOM 730 CA LYS A 45 6.015 -9.031 -5.903 1.00 2.43 C ATOM 731 C LYS A 45 6.153 -9.977 -4.714 1.00 64.22 C ATOM 732 O LYS A 45 6.799 -11.021 -4.813 1.00 14.41 O ATOM 733 CB LYS A 45 7.250 -8.132 -5.999 1.00 22.10 C ATOM 734 CG LYS A 45 7.828 -8.040 -7.400 1.00 22.14 C ATOM 735 CD LYS A 45 9.244 -7.487 -7.384 1.00 34.33 C ATOM 736 CE LYS A 45 9.263 -5.996 -7.684 1.00 11.24 C ATOM 737 NZ LYS A 45 10.231 -5.660 -8.764 1.00 12.31 N ATOM 0 H LYS A 45 4.970 -7.215 -5.820 1.00 65.25 H new ATOM 0 HA LYS A 45 5.936 -9.627 -6.812 1.00 2.43 H new ATOM 0 HB2 LYS A 45 6.988 -7.131 -5.657 1.00 22.10 H new ATOM 0 HB3 LYS A 45 8.017 -8.509 -5.323 1.00 22.10 H new ATOM 0 HG2 LYS A 45 7.827 -9.028 -7.860 1.00 22.14 H new ATOM 0 HG3 LYS A 45 7.194 -7.401 -8.015 1.00 22.14 H new ATOM 0 HD2 LYS A 45 9.696 -7.669 -6.409 1.00 34.33 H new ATOM 0 HD3 LYS A 45 9.850 -8.015 -8.120 1.00 34.33 H new ATOM 0 HE2 LYS A 45 8.265 -5.672 -7.977 1.00 11.24 H new ATOM 0 HE3 LYS A 45 9.523 -5.447 -6.779 1.00 11.24 H new ATOM 0 HZ1 LYS A 45 10.214 -4.635 -8.939 1.00 12.31 H new ATOM 0 HZ2 LYS A 45 11.188 -5.946 -8.474 1.00 12.31 H new ATOM 0 HZ3 LYS A 45 9.968 -6.164 -9.635 1.00 12.31 H new ATOM 751 N GLU A 46 5.541 -9.606 -3.594 1.00 63.02 N ATOM 752 CA GLU A 46 5.597 -10.424 -2.388 1.00 34.42 C ATOM 753 C GLU A 46 4.253 -11.099 -2.127 1.00 24.53 C ATOM 754 O GLU A 46 3.928 -11.440 -0.990 1.00 13.55 O ATOM 755 CB GLU A 46 5.992 -9.568 -1.182 1.00 44.32 C ATOM 756 CG GLU A 46 7.234 -10.068 -0.463 1.00 54.40 C ATOM 757 CD GLU A 46 7.171 -9.841 1.035 1.00 32.51 C ATOM 758 OE1 GLU A 46 7.541 -8.736 1.484 1.00 20.44 O ATOM 759 OE2 GLU A 46 6.751 -10.769 1.758 1.00 34.42 O ATOM 0 H GLU A 46 5.002 -8.746 -3.497 1.00 63.02 H new ATOM 0 HA GLU A 46 6.351 -11.197 -2.538 1.00 34.42 H new ATOM 0 HB2 GLU A 46 6.162 -8.544 -1.514 1.00 44.32 H new ATOM 0 HB3 GLU A 46 5.160 -9.541 -0.478 1.00 44.32 H new ATOM 0 HG2 GLU A 46 7.360 -11.133 -0.661 1.00 54.40 H new ATOM 0 HG3 GLU A 46 8.111 -9.563 -0.867 1.00 54.40 H new ATOM 766 N GLY A 47 3.477 -11.291 -3.189 1.00 22.32 N ATOM 767 CA GLY A 47 2.179 -11.925 -3.054 1.00 42.23 C ATOM 768 C GLY A 47 1.324 -11.273 -1.986 1.00 12.13 C ATOM 769 O GLY A 47 0.766 -11.955 -1.125 1.00 55.53 O ATOM 0 H GLY A 47 3.724 -11.019 -4.140 1.00 22.32 H new ATOM 0 HA2 GLY A 47 1.656 -11.883 -4.010 1.00 42.23 H new ATOM 0 HA3 GLY A 47 2.316 -12.979 -2.812 1.00 42.23 H new ATOM 773 N VAL A 48 1.222 -9.949 -2.038 1.00 60.10 N ATOM 774 CA VAL A 48 0.430 -9.204 -1.066 1.00 73.25 C ATOM 775 C VAL A 48 -1.063 -9.407 -1.304 1.00 11.24 C ATOM 776 O VAL A 48 -1.511 -9.522 -2.444 1.00 52.43 O ATOM 777 CB VAL A 48 0.747 -7.699 -1.119 1.00 1.33 C ATOM 778 CG1 VAL A 48 -0.139 -6.932 -0.149 1.00 11.10 C ATOM 779 CG2 VAL A 48 2.218 -7.454 -0.818 1.00 54.35 C ATOM 0 H VAL A 48 1.678 -9.370 -2.743 1.00 60.10 H new ATOM 0 HA VAL A 48 0.694 -9.588 -0.081 1.00 73.25 H new ATOM 0 HB VAL A 48 0.540 -7.337 -2.126 1.00 1.33 H new ATOM 0 HG11 VAL A 48 0.100 -5.870 -0.200 1.00 11.10 H new ATOM 0 HG12 VAL A 48 -1.185 -7.082 -0.415 1.00 11.10 H new ATOM 0 HG13 VAL A 48 0.033 -7.294 0.865 1.00 11.10 H new ATOM 0 HG21 VAL A 48 2.425 -6.385 -0.860 1.00 54.35 H new ATOM 0 HG22 VAL A 48 2.453 -7.831 0.177 1.00 54.35 H new ATOM 0 HG23 VAL A 48 2.831 -7.971 -1.556 1.00 54.35 H new ATOM 789 N VAL A 49 -1.828 -9.450 -0.217 1.00 74.24 N ATOM 790 CA VAL A 49 -3.272 -9.638 -0.307 1.00 14.34 C ATOM 791 C VAL A 49 -3.932 -8.477 -1.044 1.00 23.02 C ATOM 792 O VAL A 49 -3.277 -7.494 -1.386 1.00 2.41 O ATOM 793 CB VAL A 49 -3.908 -9.772 1.089 1.00 41.43 C ATOM 794 CG1 VAL A 49 -3.477 -11.073 1.750 1.00 60.34 C ATOM 795 CG2 VAL A 49 -3.543 -8.577 1.958 1.00 74.33 C ATOM 0 H VAL A 49 -1.473 -9.357 0.735 1.00 74.24 H new ATOM 0 HA VAL A 49 -3.437 -10.560 -0.864 1.00 14.34 H new ATOM 0 HB VAL A 49 -4.992 -9.792 0.975 1.00 41.43 H new ATOM 0 HG11 VAL A 49 -3.936 -11.150 2.735 1.00 60.34 H new ATOM 0 HG12 VAL A 49 -3.793 -11.916 1.135 1.00 60.34 H new ATOM 0 HG13 VAL A 49 -2.392 -11.087 1.853 1.00 60.34 H new ATOM 0 HG21 VAL A 49 -4.001 -8.688 2.941 1.00 74.33 H new ATOM 0 HG22 VAL A 49 -2.460 -8.523 2.066 1.00 74.33 H new ATOM 0 HG23 VAL A 49 -3.907 -7.662 1.490 1.00 74.33 H new ATOM 805 N GLU A 50 -5.234 -8.600 -1.285 1.00 45.14 N ATOM 806 CA GLU A 50 -5.982 -7.561 -1.983 1.00 63.22 C ATOM 807 C GLU A 50 -5.648 -6.181 -1.423 1.00 24.34 C ATOM 808 O GLU A 50 -5.168 -6.040 -0.298 1.00 1.23 O ATOM 809 CB GLU A 50 -7.485 -7.820 -1.867 1.00 40.14 C ATOM 810 CG GLU A 50 -7.916 -8.303 -0.493 1.00 1.52 C ATOM 811 CD GLU A 50 -9.423 -8.310 -0.323 1.00 33.22 C ATOM 812 OE1 GLU A 50 -10.135 -8.142 -1.336 1.00 21.11 O ATOM 813 OE2 GLU A 50 -9.891 -8.484 0.821 1.00 22.31 O ATOM 0 H GLU A 50 -5.792 -9.408 -1.007 1.00 45.14 H new ATOM 0 HA GLU A 50 -5.696 -7.586 -3.034 1.00 63.22 H new ATOM 0 HB2 GLU A 50 -8.023 -6.902 -2.105 1.00 40.14 H new ATOM 0 HB3 GLU A 50 -7.776 -8.562 -2.611 1.00 40.14 H new ATOM 0 HG2 GLU A 50 -7.531 -9.309 -0.329 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -7.471 -7.663 0.269 1.00 1.52 H new ATOM 820 N PRO A 51 -5.907 -5.139 -2.227 1.00 1.13 N ATOM 821 CA PRO A 51 -5.642 -3.752 -1.833 1.00 60.05 C ATOM 822 C PRO A 51 -6.587 -3.268 -0.739 1.00 33.42 C ATOM 823 O PRO A 51 -6.296 -2.300 -0.038 1.00 31.42 O ATOM 824 CB PRO A 51 -5.875 -2.966 -3.126 1.00 44.43 C ATOM 825 CG PRO A 51 -6.816 -3.808 -3.917 1.00 2.42 C ATOM 826 CD PRO A 51 -6.479 -5.234 -3.580 1.00 2.11 C ATOM 0 HA PRO A 51 -4.642 -3.631 -1.418 1.00 60.05 H new ATOM 0 HB2 PRO A 51 -6.300 -1.983 -2.921 1.00 44.43 H new ATOM 0 HB3 PRO A 51 -4.941 -2.803 -3.664 1.00 44.43 H new ATOM 0 HG2 PRO A 51 -7.851 -3.581 -3.662 1.00 2.42 H new ATOM 0 HG3 PRO A 51 -6.702 -3.622 -4.985 1.00 2.42 H new ATOM 0 HD2 PRO A 51 -7.363 -5.871 -3.599 1.00 2.11 H new ATOM 0 HD3 PRO A 51 -5.767 -5.657 -4.289 1.00 2.11 H new ATOM 834 N GLU A 52 -7.719 -3.950 -0.598 1.00 75.32 N ATOM 835 CA GLU A 52 -8.708 -3.589 0.412 1.00 61.33 C ATOM 836 C GLU A 52 -8.060 -3.470 1.789 1.00 51.04 C ATOM 837 O GLU A 52 -8.503 -2.689 2.630 1.00 0.43 O ATOM 838 CB GLU A 52 -9.831 -4.628 0.453 1.00 43.32 C ATOM 839 CG GLU A 52 -11.138 -4.089 1.010 1.00 51.53 C ATOM 840 CD GLU A 52 -11.256 -4.277 2.509 1.00 54.12 C ATOM 841 OE1 GLU A 52 -10.244 -4.638 3.144 1.00 45.12 O ATOM 842 OE2 GLU A 52 -12.363 -4.062 3.048 1.00 63.33 O ATOM 0 H GLU A 52 -7.974 -4.755 -1.170 1.00 75.32 H new ATOM 0 HA GLU A 52 -9.129 -2.620 0.142 1.00 61.33 H new ATOM 0 HB2 GLU A 52 -10.003 -5.005 -0.555 1.00 43.32 H new ATOM 0 HB3 GLU A 52 -9.509 -5.475 1.059 1.00 43.32 H new ATOM 0 HG2 GLU A 52 -11.219 -3.028 0.773 1.00 51.53 H new ATOM 0 HG3 GLU A 52 -11.972 -4.590 0.518 1.00 51.53 H new ATOM 849 N VAL A 53 -7.007 -4.251 2.011 1.00 41.43 N ATOM 850 CA VAL A 53 -6.297 -4.233 3.284 1.00 71.21 C ATOM 851 C VAL A 53 -5.214 -3.161 3.294 1.00 43.23 C ATOM 852 O VAL A 53 -5.120 -2.366 4.230 1.00 64.04 O ATOM 853 CB VAL A 53 -5.655 -5.600 3.587 1.00 3.11 C ATOM 854 CG1 VAL A 53 -5.002 -5.589 4.961 1.00 63.44 C ATOM 855 CG2 VAL A 53 -6.691 -6.709 3.489 1.00 2.24 C ATOM 0 H VAL A 53 -6.627 -4.904 1.325 1.00 41.43 H new ATOM 0 HA VAL A 53 -7.034 -4.007 4.055 1.00 71.21 H new ATOM 0 HB VAL A 53 -4.881 -5.792 2.844 1.00 3.11 H new ATOM 0 HG11 VAL A 53 -4.554 -6.563 5.159 1.00 63.44 H new ATOM 0 HG12 VAL A 53 -4.229 -4.821 4.990 1.00 63.44 H new ATOM 0 HG13 VAL A 53 -5.755 -5.376 5.720 1.00 63.44 H new ATOM 0 HG21 VAL A 53 -6.220 -7.668 3.706 1.00 2.24 H new ATOM 0 HG22 VAL A 53 -7.489 -6.526 4.208 1.00 2.24 H new ATOM 0 HG23 VAL A 53 -7.108 -6.730 2.482 1.00 2.24 H new ATOM 865 N VAL A 54 -4.396 -3.143 2.245 1.00 13.10 N ATOM 866 CA VAL A 54 -3.319 -2.167 2.132 1.00 61.41 C ATOM 867 C VAL A 54 -3.841 -0.748 2.328 1.00 22.11 C ATOM 868 O VAL A 54 -3.114 0.133 2.788 1.00 72.35 O ATOM 869 CB VAL A 54 -2.618 -2.260 0.764 1.00 74.43 C ATOM 870 CG1 VAL A 54 -1.431 -1.312 0.705 1.00 22.44 C ATOM 871 CG2 VAL A 54 -2.184 -3.691 0.485 1.00 23.12 C ATOM 0 H VAL A 54 -4.459 -3.793 1.462 1.00 13.10 H new ATOM 0 HA VAL A 54 -2.599 -2.398 2.917 1.00 61.41 H new ATOM 0 HB VAL A 54 -3.327 -1.962 -0.009 1.00 74.43 H new ATOM 0 HG11 VAL A 54 -0.949 -1.393 -0.269 1.00 22.44 H new ATOM 0 HG12 VAL A 54 -1.775 -0.289 0.856 1.00 22.44 H new ATOM 0 HG13 VAL A 54 -0.717 -1.574 1.486 1.00 22.44 H new ATOM 0 HG21 VAL A 54 -1.690 -3.739 -0.486 1.00 23.12 H new ATOM 0 HG22 VAL A 54 -1.492 -4.019 1.261 1.00 23.12 H new ATOM 0 HG23 VAL A 54 -3.058 -4.342 0.480 1.00 23.12 H new ATOM 881 N ARG A 55 -5.104 -0.534 1.976 1.00 33.34 N ATOM 882 CA ARG A 55 -5.724 0.779 2.112 1.00 22.23 C ATOM 883 C ARG A 55 -5.773 1.207 3.577 1.00 51.14 C ATOM 884 O ARG A 55 -5.477 2.355 3.907 1.00 3.01 O ATOM 885 CB ARG A 55 -7.137 0.763 1.527 1.00 3.23 C ATOM 886 CG ARG A 55 -7.918 2.040 1.789 1.00 51.01 C ATOM 887 CD ARG A 55 -9.216 2.071 0.997 1.00 74.00 C ATOM 888 NE ARG A 55 -10.158 1.051 1.451 1.00 34.31 N ATOM 889 CZ ARG A 55 -11.399 0.939 0.991 1.00 53.24 C ATOM 890 NH1 ARG A 55 -11.845 1.780 0.067 1.00 40.01 N ATOM 891 NH2 ARG A 55 -12.197 -0.015 1.453 1.00 10.40 N ATOM 0 H ARG A 55 -5.719 -1.253 1.594 1.00 33.34 H new ATOM 0 HA ARG A 55 -5.119 1.498 1.560 1.00 22.23 H new ATOM 0 HB2 ARG A 55 -7.074 0.600 0.451 1.00 3.23 H new ATOM 0 HB3 ARG A 55 -7.685 -0.081 1.946 1.00 3.23 H new ATOM 0 HG2 ARG A 55 -8.138 2.122 2.853 1.00 51.01 H new ATOM 0 HG3 ARG A 55 -7.307 2.903 1.523 1.00 51.01 H new ATOM 0 HD2 ARG A 55 -9.675 3.055 1.091 1.00 74.00 H new ATOM 0 HD3 ARG A 55 -8.999 1.920 -0.060 1.00 74.00 H new ATOM 0 HE ARG A 55 -9.845 0.388 2.160 1.00 34.31 H new ATOM 0 HH11 ARG A 55 -11.235 2.514 -0.292 1.00 40.01 H new ATOM 0 HH12 ARG A 55 -12.798 1.692 -0.285 1.00 40.01 H new ATOM 0 HH21 ARG A 55 -11.858 -0.664 2.163 1.00 10.40 H new ATOM 0 HH22 ARG A 55 -13.150 -0.099 1.098 1.00 10.40 H new ATOM 905 N GLN A 56 -6.149 0.276 4.448 1.00 3.50 N ATOM 906 CA GLN A 56 -6.238 0.559 5.876 1.00 61.34 C ATOM 907 C GLN A 56 -4.878 0.395 6.549 1.00 75.04 C ATOM 908 O GLN A 56 -4.458 1.246 7.333 1.00 23.41 O ATOM 909 CB GLN A 56 -7.262 -0.365 6.537 1.00 60.04 C ATOM 910 CG GLN A 56 -8.186 0.349 7.509 1.00 32.42 C ATOM 911 CD GLN A 56 -7.458 1.362 8.371 1.00 60.23 C ATOM 912 OE1 GLN A 56 -7.761 2.555 8.336 1.00 44.11 O ATOM 913 NE2 GLN A 56 -6.491 0.891 9.149 1.00 63.34 N ATOM 0 H GLN A 56 -6.397 -0.679 4.190 1.00 3.50 H new ATOM 0 HA GLN A 56 -6.561 1.593 5.997 1.00 61.34 H new ATOM 0 HB2 GLN A 56 -7.862 -0.842 5.762 1.00 60.04 H new ATOM 0 HB3 GLN A 56 -6.735 -1.159 7.066 1.00 60.04 H new ATOM 0 HG2 GLN A 56 -8.975 0.853 6.951 1.00 32.42 H new ATOM 0 HG3 GLN A 56 -8.670 -0.387 8.151 1.00 32.42 H new ATOM 0 HE21 GLN A 56 -6.274 -0.106 9.146 1.00 63.34 H new ATOM 0 HE22 GLN A 56 -5.965 1.526 9.750 1.00 63.34 H new ATOM 922 N ILE A 57 -4.198 -0.702 6.237 1.00 44.33 N ATOM 923 CA ILE A 57 -2.887 -0.976 6.811 1.00 3.41 C ATOM 924 C ILE A 57 -1.932 0.192 6.584 1.00 73.35 C ATOM 925 O ILE A 57 -1.174 0.569 7.476 1.00 64.55 O ATOM 926 CB ILE A 57 -2.267 -2.254 6.216 1.00 72.42 C ATOM 927 CG1 ILE A 57 -3.166 -3.460 6.495 1.00 74.45 C ATOM 928 CG2 ILE A 57 -0.874 -2.483 6.785 1.00 53.30 C ATOM 929 CD1 ILE A 57 -3.298 -3.789 7.965 1.00 24.21 C ATOM 0 H ILE A 57 -4.533 -1.416 5.590 1.00 44.33 H new ATOM 0 HA ILE A 57 -3.035 -1.119 7.881 1.00 3.41 H new ATOM 0 HB ILE A 57 -2.181 -2.129 5.137 1.00 72.42 H new ATOM 0 HG12 ILE A 57 -4.157 -3.267 6.084 1.00 74.45 H new ATOM 0 HG13 ILE A 57 -2.767 -4.329 5.971 1.00 74.45 H new ATOM 0 HG21 ILE A 57 -0.450 -3.390 6.354 1.00 53.30 H new ATOM 0 HG22 ILE A 57 -0.237 -1.633 6.541 1.00 53.30 H new ATOM 0 HG23 ILE A 57 -0.936 -2.590 7.868 1.00 53.30 H new ATOM 0 HD11 ILE A 57 -3.949 -4.654 8.087 1.00 24.21 H new ATOM 0 HD12 ILE A 57 -2.314 -4.014 8.377 1.00 24.21 H new ATOM 0 HD13 ILE A 57 -3.725 -2.936 8.492 1.00 24.21 H new ATOM 941 N ALA A 58 -1.977 0.760 5.384 1.00 50.51 N ATOM 942 CA ALA A 58 -1.120 1.887 5.040 1.00 51.31 C ATOM 943 C ALA A 58 -1.436 3.102 5.906 1.00 53.15 C ATOM 944 O ALA A 58 -0.615 4.010 6.041 1.00 15.01 O ATOM 945 CB ALA A 58 -1.269 2.235 3.565 1.00 20.52 C ATOM 0 H ALA A 58 -2.598 0.458 4.633 1.00 50.51 H new ATOM 0 HA ALA A 58 -0.087 1.596 5.230 1.00 51.31 H new ATOM 0 HB1 ALA A 58 -0.623 3.079 3.323 1.00 20.52 H new ATOM 0 HB2 ALA A 58 -0.986 1.375 2.958 1.00 20.52 H new ATOM 0 HB3 ALA A 58 -2.305 2.501 3.357 1.00 20.52 H new ATOM 951 N ILE A 59 -2.631 3.113 6.487 1.00 31.02 N ATOM 952 CA ILE A 59 -3.055 4.217 7.340 1.00 61.14 C ATOM 953 C ILE A 59 -2.557 4.030 8.769 1.00 22.11 C ATOM 954 O ILE A 59 -2.103 4.979 9.410 1.00 24.34 O ATOM 955 CB ILE A 59 -4.588 4.358 7.357 1.00 62.02 C ATOM 956 CG1 ILE A 59 -5.114 4.612 5.942 1.00 22.31 C ATOM 957 CG2 ILE A 59 -5.006 5.483 8.292 1.00 31.24 C ATOM 958 CD1 ILE A 59 -6.589 4.315 5.785 1.00 1.40 C ATOM 0 H ILE A 59 -3.322 2.370 6.383 1.00 31.02 H new ATOM 0 HA ILE A 59 -2.619 5.124 6.922 1.00 61.14 H new ATOM 0 HB ILE A 59 -5.020 3.427 7.724 1.00 62.02 H new ATOM 0 HG12 ILE A 59 -4.931 5.653 5.676 1.00 22.31 H new ATOM 0 HG13 ILE A 59 -4.551 3.999 5.238 1.00 22.31 H new ATOM 0 HG21 ILE A 59 -6.092 5.570 8.293 1.00 31.24 H new ATOM 0 HG22 ILE A 59 -4.658 5.265 9.302 1.00 31.24 H new ATOM 0 HG23 ILE A 59 -4.567 6.421 7.952 1.00 31.24 H new ATOM 0 HD11 ILE A 59 -6.894 4.517 4.758 1.00 1.40 H new ATOM 0 HD12 ILE A 59 -6.776 3.267 6.019 1.00 1.40 H new ATOM 0 HD13 ILE A 59 -7.162 4.947 6.464 1.00 1.40 H new ATOM 970 N THR A 60 -2.642 2.799 9.264 1.00 74.54 N ATOM 971 CA THR A 60 -2.200 2.486 10.617 1.00 14.03 C ATOM 972 C THR A 60 -0.713 2.156 10.647 1.00 41.44 C ATOM 973 O THR A 60 -0.135 1.951 11.714 1.00 3.13 O ATOM 974 CB THR A 60 -2.990 1.301 11.206 1.00 21.05 C ATOM 975 OG1 THR A 60 -2.466 0.957 12.494 1.00 73.23 O ATOM 976 CG2 THR A 60 -2.920 0.094 10.284 1.00 63.41 C ATOM 0 H THR A 60 -3.013 2.002 8.747 1.00 74.54 H new ATOM 0 HA THR A 60 -2.384 3.373 11.223 1.00 14.03 H new ATOM 0 HB THR A 60 -4.033 1.600 11.307 1.00 21.05 H new ATOM 0 HG1 THR A 60 -1.656 1.480 12.668 1.00 73.23 H new ATOM 0 HG21 THR A 60 -3.485 -0.730 10.720 1.00 63.41 H new ATOM 0 HG22 THR A 60 -3.345 0.352 9.314 1.00 63.41 H new ATOM 0 HG23 THR A 60 -1.880 -0.206 10.156 1.00 63.41 H new ATOM 984 N ARG A 61 -0.098 2.108 9.469 1.00 32.15 N ATOM 985 CA ARG A 61 1.323 1.802 9.361 1.00 2.43 C ATOM 986 C ARG A 61 2.089 2.982 8.769 1.00 52.43 C ATOM 987 O ARG A 61 3.095 3.425 9.323 1.00 25.11 O ATOM 988 CB ARG A 61 1.535 0.558 8.499 1.00 73.31 C ATOM 989 CG ARG A 61 0.890 -0.695 9.070 1.00 41.02 C ATOM 990 CD ARG A 61 1.537 -1.106 10.383 1.00 64.25 C ATOM 991 NE ARG A 61 1.841 -2.534 10.420 1.00 4.02 N ATOM 992 CZ ARG A 61 2.165 -3.188 11.530 1.00 43.11 C ATOM 993 NH1 ARG A 61 2.227 -2.545 12.688 1.00 14.05 N ATOM 994 NH2 ARG A 61 2.428 -4.488 11.484 1.00 13.10 N ATOM 0 H ARG A 61 -0.562 2.277 8.577 1.00 32.15 H new ATOM 0 HA ARG A 61 1.705 1.609 10.364 1.00 2.43 H new ATOM 0 HB2 ARG A 61 1.132 0.743 7.503 1.00 73.31 H new ATOM 0 HB3 ARG A 61 2.605 0.385 8.382 1.00 73.31 H new ATOM 0 HG2 ARG A 61 -0.174 -0.518 9.227 1.00 41.02 H new ATOM 0 HG3 ARG A 61 0.975 -1.509 8.351 1.00 41.02 H new ATOM 0 HD2 ARG A 61 2.455 -0.536 10.529 1.00 64.25 H new ATOM 0 HD3 ARG A 61 0.871 -0.856 11.209 1.00 64.25 H new ATOM 0 HE ARG A 61 1.802 -3.058 9.546 1.00 4.02 H new ATOM 0 HH11 ARG A 61 2.026 -1.546 12.728 1.00 14.05 H new ATOM 0 HH12 ARG A 61 2.476 -3.050 13.539 1.00 14.05 H new ATOM 0 HH21 ARG A 61 2.382 -4.987 10.595 1.00 13.10 H new ATOM 0 HH22 ARG A 61 2.677 -4.989 12.337 1.00 13.10 H new ATOM 1008 N LEU A 62 1.607 3.486 7.638 1.00 74.24 N ATOM 1009 CA LEU A 62 2.245 4.613 6.969 1.00 54.14 C ATOM 1010 C LEU A 62 1.576 5.928 7.357 1.00 74.54 C ATOM 1011 O LEU A 62 1.808 6.963 6.732 1.00 13.44 O ATOM 1012 CB LEU A 62 2.190 4.428 5.451 1.00 43.11 C ATOM 1013 CG LEU A 62 3.519 4.110 4.765 1.00 20.54 C ATOM 1014 CD1 LEU A 62 3.316 3.920 3.271 1.00 62.45 C ATOM 1015 CD2 LEU A 62 4.535 5.211 5.032 1.00 34.10 C ATOM 0 H LEU A 62 0.776 3.131 7.165 1.00 74.24 H new ATOM 0 HA LEU A 62 3.287 4.650 7.287 1.00 54.14 H new ATOM 0 HB2 LEU A 62 1.488 3.625 5.228 1.00 43.11 H new ATOM 0 HB3 LEU A 62 1.784 5.338 5.009 1.00 43.11 H new ATOM 0 HG LEU A 62 3.906 3.179 5.179 1.00 20.54 H new ATOM 0 HD11 LEU A 62 4.273 3.694 2.800 1.00 62.45 H new ATOM 0 HD12 LEU A 62 2.624 3.096 3.100 1.00 62.45 H new ATOM 0 HD13 LEU A 62 2.906 4.834 2.840 1.00 62.45 H new ATOM 0 HD21 LEU A 62 5.474 4.967 4.536 1.00 34.10 H new ATOM 0 HD22 LEU A 62 4.156 6.157 4.646 1.00 34.10 H new ATOM 0 HD23 LEU A 62 4.703 5.298 6.105 1.00 34.10 H new ATOM 1027 N LYS A 63 0.745 5.879 8.393 1.00 42.23 N ATOM 1028 CA LYS A 63 0.043 7.066 8.868 1.00 21.15 C ATOM 1029 C LYS A 63 -0.669 7.773 7.719 1.00 12.42 C ATOM 1030 O LYS A 63 -0.847 8.991 7.744 1.00 10.20 O ATOM 1031 CB LYS A 63 1.024 8.027 9.543 1.00 70.23 C ATOM 1032 CG LYS A 63 0.446 8.733 10.757 1.00 71.41 C ATOM 1033 CD LYS A 63 1.309 8.522 11.990 1.00 63.05 C ATOM 1034 CE LYS A 63 0.879 7.288 12.767 1.00 42.14 C ATOM 1035 NZ LYS A 63 -0.279 7.571 13.660 1.00 10.44 N ATOM 0 H LYS A 63 0.541 5.030 8.920 1.00 42.23 H new ATOM 0 HA LYS A 63 -0.705 6.749 9.595 1.00 21.15 H new ATOM 0 HB2 LYS A 63 1.913 7.473 9.844 1.00 70.23 H new ATOM 0 HB3 LYS A 63 1.345 8.774 8.817 1.00 70.23 H new ATOM 0 HG2 LYS A 63 0.359 9.800 10.551 1.00 71.41 H new ATOM 0 HG3 LYS A 63 -0.561 8.362 10.949 1.00 71.41 H new ATOM 0 HD2 LYS A 63 2.352 8.420 11.692 1.00 63.05 H new ATOM 0 HD3 LYS A 63 1.246 9.399 12.634 1.00 63.05 H new ATOM 0 HE2 LYS A 63 0.614 6.494 12.069 1.00 42.14 H new ATOM 0 HE3 LYS A 63 1.716 6.923 13.362 1.00 42.14 H new ATOM 0 HZ1 LYS A 63 -0.542 6.705 14.172 1.00 10.44 H new ATOM 0 HZ2 LYS A 63 -0.018 8.311 14.342 1.00 10.44 H new ATOM 0 HZ3 LYS A 63 -1.086 7.895 13.090 1.00 10.44 H new ATOM 1049 N TRP A 64 -1.075 7.002 6.717 1.00 12.13 N ATOM 1050 CA TRP A 64 -1.770 7.556 5.561 1.00 25.50 C ATOM 1051 C TRP A 64 -3.130 8.116 5.960 1.00 73.31 C ATOM 1052 O TRP A 64 -3.710 7.708 6.966 1.00 24.14 O ATOM 1053 CB TRP A 64 -1.941 6.485 4.483 1.00 74.20 C ATOM 1054 CG TRP A 64 -2.406 7.035 3.168 1.00 73.52 C ATOM 1055 CD1 TRP A 64 -1.846 8.062 2.465 1.00 63.24 C ATOM 1056 CD2 TRP A 64 -3.530 6.588 2.401 1.00 23.31 C ATOM 1057 NE1 TRP A 64 -2.552 8.280 1.307 1.00 73.14 N ATOM 1058 CE2 TRP A 64 -3.590 7.388 1.244 1.00 71.40 C ATOM 1059 CE3 TRP A 64 -4.490 5.587 2.579 1.00 54.45 C ATOM 1060 CZ2 TRP A 64 -4.572 7.218 0.272 1.00 41.24 C ATOM 1061 CZ3 TRP A 64 -5.465 5.421 1.613 1.00 43.02 C ATOM 1062 CH2 TRP A 64 -5.499 6.232 0.471 1.00 30.23 C ATOM 0 H TRP A 64 -0.935 5.992 6.682 1.00 12.13 H new ATOM 0 HA TRP A 64 -1.167 8.371 5.161 1.00 25.50 H new ATOM 0 HB2 TRP A 64 -0.991 5.971 4.338 1.00 74.20 H new ATOM 0 HB3 TRP A 64 -2.657 5.740 4.831 1.00 74.20 H new ATOM 0 HD1 TRP A 64 -0.975 8.621 2.774 1.00 63.24 H new ATOM 0 HE1 TRP A 64 -2.338 8.991 0.607 1.00 73.14 H new ATOM 0 HE3 TRP A 64 -4.470 4.955 3.455 1.00 54.45 H new ATOM 0 HZ2 TRP A 64 -4.601 7.843 -0.608 1.00 41.24 H new ATOM 0 HZ3 TRP A 64 -6.213 4.653 1.741 1.00 43.02 H new ATOM 0 HH2 TRP A 64 -6.272 6.076 -0.267 1.00 30.23 H new ATOM 1073 N VAL A 65 -3.637 9.052 5.164 1.00 44.50 N ATOM 1074 CA VAL A 65 -4.931 9.668 5.434 1.00 51.24 C ATOM 1075 C VAL A 65 -5.618 10.093 4.141 1.00 72.42 C ATOM 1076 O VAL A 65 -5.089 10.906 3.385 1.00 44.44 O ATOM 1077 CB VAL A 65 -4.788 10.895 6.354 1.00 51.11 C ATOM 1078 CG1 VAL A 65 -4.531 10.460 7.789 1.00 70.02 C ATOM 1079 CG2 VAL A 65 -3.676 11.806 5.857 1.00 20.12 C ATOM 0 H VAL A 65 -3.171 9.401 4.326 1.00 44.50 H new ATOM 0 HA VAL A 65 -5.540 8.916 5.936 1.00 51.24 H new ATOM 0 HB VAL A 65 -5.723 11.455 6.332 1.00 51.11 H new ATOM 0 HG11 VAL A 65 -4.433 11.340 8.424 1.00 70.02 H new ATOM 0 HG12 VAL A 65 -5.364 9.851 8.139 1.00 70.02 H new ATOM 0 HG13 VAL A 65 -3.611 9.876 7.833 1.00 70.02 H new ATOM 0 HG21 VAL A 65 -3.589 12.668 6.519 1.00 20.12 H new ATOM 0 HG22 VAL A 65 -2.734 11.258 5.848 1.00 20.12 H new ATOM 0 HG23 VAL A 65 -3.908 12.146 4.847 1.00 20.12 H new ATOM 1089 N GLU A 66 -6.800 9.537 3.895 1.00 72.35 N ATOM 1090 CA GLU A 66 -7.559 9.858 2.692 1.00 55.32 C ATOM 1091 C GLU A 66 -7.710 11.369 2.532 1.00 65.41 C ATOM 1092 O GLU A 66 -7.627 12.132 3.494 1.00 12.05 O ATOM 1093 CB GLU A 66 -8.940 9.200 2.742 1.00 63.13 C ATOM 1094 CG GLU A 66 -9.632 9.337 4.088 1.00 45.34 C ATOM 1095 CD GLU A 66 -9.678 8.031 4.856 1.00 54.50 C ATOM 1096 OE1 GLU A 66 -8.698 7.727 5.568 1.00 12.03 O ATOM 1097 OE2 GLU A 66 -10.694 7.313 4.745 1.00 1.12 O ATOM 0 H GLU A 66 -7.252 8.863 4.512 1.00 72.35 H new ATOM 0 HA GLU A 66 -7.011 9.471 1.833 1.00 55.32 H new ATOM 0 HB2 GLU A 66 -9.572 9.642 1.972 1.00 63.13 H new ATOM 0 HB3 GLU A 66 -8.838 8.142 2.502 1.00 63.13 H new ATOM 0 HG2 GLU A 66 -9.113 10.087 4.685 1.00 45.34 H new ATOM 0 HG3 GLU A 66 -10.648 9.700 3.935 1.00 45.34 H new ATOM 1104 N PRO A 67 -7.937 11.811 1.286 1.00 64.32 N ATOM 1105 CA PRO A 67 -8.103 13.233 0.970 1.00 72.04 C ATOM 1106 C PRO A 67 -9.411 13.798 1.513 1.00 21.45 C ATOM 1107 O PRO A 67 -10.490 13.488 1.009 1.00 71.51 O ATOM 1108 CB PRO A 67 -8.106 13.257 -0.561 1.00 41.23 C ATOM 1109 CG PRO A 67 -8.568 11.898 -0.961 1.00 30.10 C ATOM 1110 CD PRO A 67 -8.048 10.958 0.091 1.00 3.31 C ATOM 0 HA PRO A 67 -7.320 13.845 1.419 1.00 72.04 H new ATOM 0 HB2 PRO A 67 -8.773 14.030 -0.943 1.00 41.23 H new ATOM 0 HB3 PRO A 67 -7.112 13.469 -0.955 1.00 41.23 H new ATOM 0 HG2 PRO A 67 -9.656 11.857 -1.018 1.00 30.10 H new ATOM 0 HG3 PRO A 67 -8.187 11.630 -1.946 1.00 30.10 H new ATOM 0 HD2 PRO A 67 -8.729 10.123 0.255 1.00 3.31 H new ATOM 0 HD3 PRO A 67 -7.084 10.533 -0.190 1.00 3.31 H new