USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 761 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 Set 1.1: A 99 SER OG : rot -69:sc= 0.109 USER MOD Set 1.2: A 104 TYR OH : rot 30:sc= 0.00835 USER MOD Set 2.1: A 48 GLN :FLIP amide:sc= -0.623! C(o=-5.6!,f=0.47!) USER MOD Set 2.2: A 68 SER OG : rot -178:sc= 1.09 USER MOD Single : A 14 GLN : amide:sc= -0.0605 K(o=-0.06,f=-2!) USER MOD Single : A 16 THR OG1 : rot -147:sc= -2.04! USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.95 USER MOD Single : A 20 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.85) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -88:sc= -2.96! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.613 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 15:sc= 0.78 USER MOD Single : A 49 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-1.6) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -155:sc= -1.81 (180deg=-2.98!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.27) USER MOD Single : A 81 MET CE :methyl 144:sc= -5.17! (180deg=-8.9!) USER MOD Single : A 82 SER OG : rot 90:sc= -4.59! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -146:sc= -0.535 (180deg=-2.59!) USER MOD Single : A 88 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.18) USER MOD Single : A 96 THR OG1 : rot 180:sc= -2.46 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 175 N VAL A 13 -7.498 16.801 -7.346 1.00 0.00 N ATOM 176 CA VAL A 13 -7.728 18.169 -7.890 1.00 0.00 C ATOM 177 C VAL A 13 -6.525 18.593 -8.734 1.00 0.00 C ATOM 178 O VAL A 13 -5.395 18.532 -8.294 1.00 0.00 O ATOM 179 CB VAL A 13 -7.905 19.152 -6.731 1.00 0.00 C ATOM 180 CG1 VAL A 13 -8.575 20.428 -7.243 1.00 0.00 C ATOM 181 CG2 VAL A 13 -8.779 18.513 -5.650 1.00 0.00 C ATOM 0 HA VAL A 13 -8.624 18.167 -8.510 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.930 19.398 -6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.701 21.129 -6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.951 20.883 -8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.550 20.183 -7.664 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.906 19.213 -4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.754 18.266 -6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.301 17.604 -5.286 1.00 0.00 H new ATOM 191 N GLN A 14 -6.756 19.026 -9.943 1.00 0.00 N ATOM 192 CA GLN A 14 -5.619 19.453 -10.805 1.00 0.00 C ATOM 193 C GLN A 14 -5.688 20.968 -11.015 1.00 0.00 C ATOM 194 O GLN A 14 -6.662 21.490 -11.519 1.00 0.00 O ATOM 195 CB GLN A 14 -5.705 18.740 -12.156 1.00 0.00 C ATOM 196 CG GLN A 14 -5.271 17.282 -11.987 1.00 0.00 C ATOM 197 CD GLN A 14 -5.716 16.472 -13.206 1.00 0.00 C ATOM 198 OE1 GLN A 14 -6.391 16.982 -14.077 1.00 0.00 O ATOM 199 NE2 GLN A 14 -5.363 15.220 -13.304 1.00 0.00 N ATOM 0 H GLN A 14 -7.679 19.102 -10.370 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.676 19.195 -10.324 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.724 18.786 -12.540 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.067 19.239 -12.885 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.188 17.225 -11.875 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.708 16.864 -11.080 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.796 14.791 -12.573 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.654 14.670 -14.112 1.00 0.00 H new ATOM 208 N VAL A 15 -4.664 21.678 -10.625 1.00 0.00 N ATOM 209 CA VAL A 15 -4.680 23.158 -10.795 1.00 0.00 C ATOM 210 C VAL A 15 -3.412 23.612 -11.523 1.00 0.00 C ATOM 211 O VAL A 15 -2.321 23.155 -11.243 1.00 0.00 O ATOM 212 CB VAL A 15 -4.743 23.824 -9.418 1.00 0.00 C ATOM 213 CG1 VAL A 15 -5.206 25.274 -9.568 1.00 0.00 C ATOM 214 CG2 VAL A 15 -5.730 23.063 -8.530 1.00 0.00 C ATOM 0 H VAL A 15 -3.820 21.298 -10.197 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.552 23.444 -11.383 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.753 23.807 -8.962 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.250 25.745 -8.586 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.503 25.817 -10.200 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.195 25.295 -10.025 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.776 23.536 -7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.719 23.080 -8.988 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.399 22.030 -8.420 1.00 0.00 H new ATOM 224 N THR A 16 -3.553 24.512 -12.458 1.00 0.00 N ATOM 225 CA THR A 16 -2.368 25.008 -13.214 1.00 0.00 C ATOM 226 C THR A 16 -2.547 26.499 -13.512 1.00 0.00 C ATOM 227 O THR A 16 -3.649 26.973 -13.703 1.00 0.00 O ATOM 228 CB THR A 16 -2.244 24.236 -14.531 1.00 0.00 C ATOM 229 OG1 THR A 16 -3.242 24.684 -15.436 1.00 0.00 O ATOM 230 CG2 THR A 16 -2.425 22.740 -14.267 1.00 0.00 C ATOM 0 H THR A 16 -4.443 24.927 -12.732 1.00 0.00 H new ATOM 0 HA THR A 16 -1.466 24.859 -12.620 1.00 0.00 H new ATOM 0 HB THR A 16 -1.258 24.409 -14.963 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.529 23.938 -16.003 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.337 22.192 -15.205 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.658 22.398 -13.573 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.410 22.563 -13.835 1.00 0.00 H new ATOM 238 N PHE A 17 -1.476 27.243 -13.548 1.00 0.00 N ATOM 239 CA PHE A 17 -1.592 28.703 -13.828 1.00 0.00 C ATOM 240 C PHE A 17 -0.833 29.046 -15.110 1.00 0.00 C ATOM 241 O PHE A 17 0.198 28.475 -15.402 1.00 0.00 O ATOM 242 CB PHE A 17 -0.983 29.495 -12.670 1.00 0.00 C ATOM 243 CG PHE A 17 -1.691 29.147 -11.385 1.00 0.00 C ATOM 244 CD1 PHE A 17 -1.482 27.900 -10.785 1.00 0.00 C ATOM 245 CD2 PHE A 17 -2.552 30.075 -10.788 1.00 0.00 C ATOM 246 CE1 PHE A 17 -2.133 27.579 -9.589 1.00 0.00 C ATOM 247 CE2 PHE A 17 -3.205 29.755 -9.592 1.00 0.00 C ATOM 248 CZ PHE A 17 -2.995 28.507 -8.993 1.00 0.00 C ATOM 0 H PHE A 17 -0.526 26.904 -13.396 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.645 28.960 -13.943 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.080 29.270 -12.583 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.068 30.564 -12.864 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.817 27.184 -11.246 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.713 31.038 -11.250 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.971 26.617 -9.126 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.870 30.470 -9.132 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.499 28.260 -8.070 1.00 0.00 H new ATOM 258 N THR A 18 -1.322 29.984 -15.871 1.00 0.00 N ATOM 259 CA THR A 18 -0.607 30.368 -17.121 1.00 0.00 C ATOM 260 C THR A 18 -0.653 31.889 -17.280 1.00 0.00 C ATOM 261 O THR A 18 -1.702 32.499 -17.214 1.00 0.00 O ATOM 262 CB THR A 18 -1.273 29.699 -18.326 1.00 0.00 C ATOM 263 OG1 THR A 18 -1.298 28.293 -18.130 1.00 0.00 O ATOM 264 CG2 THR A 18 -0.483 30.027 -19.595 1.00 0.00 C ATOM 0 H THR A 18 -2.182 30.500 -15.684 1.00 0.00 H new ATOM 0 HA THR A 18 0.431 30.039 -17.063 1.00 0.00 H new ATOM 0 HB THR A 18 -2.293 30.069 -18.431 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.725 27.863 -18.900 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.958 29.550 -20.453 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.465 31.107 -19.744 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.538 29.658 -19.494 1.00 0.00 H new ATOM 272 N VAL A 19 0.478 32.508 -17.484 1.00 0.00 N ATOM 273 CA VAL A 19 0.501 33.990 -17.643 1.00 0.00 C ATOM 274 C VAL A 19 0.003 34.362 -19.040 1.00 0.00 C ATOM 275 O VAL A 19 0.412 33.783 -20.027 1.00 0.00 O ATOM 276 CB VAL A 19 1.933 34.499 -17.463 1.00 0.00 C ATOM 277 CG1 VAL A 19 1.913 36.016 -17.263 1.00 0.00 C ATOM 278 CG2 VAL A 19 2.562 33.832 -16.238 1.00 0.00 C ATOM 0 H VAL A 19 1.388 32.051 -17.547 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.146 34.445 -16.893 1.00 0.00 H new ATOM 0 HB VAL A 19 2.519 34.256 -18.350 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.933 36.380 -17.135 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.465 36.492 -18.135 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.327 36.258 -16.376 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.582 34.195 -16.110 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.977 34.074 -15.351 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.576 32.751 -16.379 1.00 0.00 H new ATOM 288 N GLN A 20 -0.876 35.321 -19.135 1.00 0.00 N ATOM 289 CA GLN A 20 -1.393 35.722 -20.473 1.00 0.00 C ATOM 290 C GLN A 20 -0.851 37.106 -20.837 1.00 0.00 C ATOM 291 O GLN A 20 -0.492 37.890 -19.981 1.00 0.00 O ATOM 292 CB GLN A 20 -2.922 35.768 -20.437 1.00 0.00 C ATOM 293 CG GLN A 20 -3.463 34.406 -19.998 1.00 0.00 C ATOM 294 CD GLN A 20 -3.118 33.354 -21.055 1.00 0.00 C ATOM 295 OE1 GLN A 20 -3.157 33.629 -22.238 1.00 0.00 O ATOM 296 NE2 GLN A 20 -2.778 32.154 -20.675 1.00 0.00 N ATOM 0 H GLN A 20 -1.258 35.843 -18.346 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.068 34.997 -21.219 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.257 36.544 -19.748 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.312 36.026 -21.422 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.033 34.125 -19.036 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.543 34.459 -19.861 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.745 31.924 -19.682 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.545 31.446 -21.371 1.00 0.00 H new ATOM 305 N LYS A 21 -0.793 37.411 -22.104 1.00 0.00 N ATOM 306 CA LYS A 21 -0.279 38.742 -22.536 1.00 0.00 C ATOM 307 C LYS A 21 -0.971 39.851 -21.737 1.00 0.00 C ATOM 308 O LYS A 21 -2.156 40.074 -21.879 1.00 0.00 O ATOM 309 CB LYS A 21 -0.582 38.935 -24.022 1.00 0.00 C ATOM 310 CG LYS A 21 0.290 37.987 -24.849 1.00 0.00 C ATOM 311 CD LYS A 21 0.002 38.195 -26.337 1.00 0.00 C ATOM 312 CE LYS A 21 -1.458 37.842 -26.628 1.00 0.00 C ATOM 313 NZ LYS A 21 -1.543 37.108 -27.922 1.00 0.00 N ATOM 0 H LYS A 21 -1.081 36.793 -22.863 1.00 0.00 H new ATOM 0 HA LYS A 21 0.796 38.788 -22.362 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.636 38.740 -24.217 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.390 39.968 -24.312 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.344 38.172 -24.642 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.088 36.953 -24.570 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.199 39.230 -26.615 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.665 37.572 -26.937 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.863 37.229 -25.823 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.061 38.749 -26.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.535 36.868 -28.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.173 37.708 -28.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.981 36.235 -27.864 1.00 0.00 H new ATOM 327 N GLY A 22 -0.247 40.559 -20.911 1.00 0.00 N ATOM 328 CA GLY A 22 -0.889 41.655 -20.130 1.00 0.00 C ATOM 329 C GLY A 22 -0.290 41.741 -18.724 1.00 0.00 C ATOM 330 O GLY A 22 -0.631 42.619 -17.956 1.00 0.00 O ATOM 0 H GLY A 22 0.751 40.428 -20.745 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.753 42.605 -20.647 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.963 41.480 -20.063 1.00 0.00 H new ATOM 334 N SER A 23 0.593 40.847 -18.369 1.00 0.00 N ATOM 335 CA SER A 23 1.184 40.911 -17.002 1.00 0.00 C ATOM 336 C SER A 23 1.985 42.208 -16.856 1.00 0.00 C ATOM 337 O SER A 23 2.660 42.638 -17.771 1.00 0.00 O ATOM 338 CB SER A 23 2.101 39.707 -16.778 1.00 0.00 C ATOM 339 OG SER A 23 1.335 38.512 -16.831 1.00 0.00 O ATOM 0 H SER A 23 0.927 40.084 -18.958 1.00 0.00 H new ATOM 0 HA SER A 23 0.386 40.892 -16.260 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.882 39.685 -17.538 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.599 39.790 -15.812 1.00 0.00 H new ATOM 0 HG SER A 23 0.984 38.309 -15.939 1.00 0.00 H new ATOM 345 N ASP A 24 1.911 42.839 -15.716 1.00 0.00 N ATOM 346 CA ASP A 24 2.662 44.114 -15.517 1.00 0.00 C ATOM 347 C ASP A 24 3.346 44.096 -14.146 1.00 0.00 C ATOM 348 O ASP A 24 3.205 43.158 -13.388 1.00 0.00 O ATOM 349 CB ASP A 24 1.690 45.297 -15.590 1.00 0.00 C ATOM 350 CG ASP A 24 0.389 44.857 -16.264 1.00 0.00 C ATOM 351 OD1 ASP A 24 -0.244 43.948 -15.751 1.00 0.00 O ATOM 352 OD2 ASP A 24 0.047 45.436 -17.281 1.00 0.00 O ATOM 0 H ASP A 24 1.364 42.528 -14.913 1.00 0.00 H new ATOM 0 HA ASP A 24 3.417 44.217 -16.297 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.483 45.672 -14.588 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.141 46.116 -16.149 1.00 0.00 H new ATOM 357 N PRO A 25 4.106 45.159 -13.827 1.00 0.00 N ATOM 358 CA PRO A 25 4.818 45.265 -12.546 1.00 0.00 C ATOM 359 C PRO A 25 3.855 45.490 -11.376 1.00 0.00 C ATOM 360 O PRO A 25 4.102 45.064 -10.265 1.00 0.00 O ATOM 361 CB PRO A 25 5.709 46.492 -12.732 1.00 0.00 C ATOM 362 CG PRO A 25 5.017 47.308 -13.771 1.00 0.00 C ATOM 363 CD PRO A 25 4.330 46.334 -14.686 1.00 0.00 C ATOM 0 HA PRO A 25 5.368 44.354 -12.308 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.818 47.047 -11.800 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.711 46.209 -13.054 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.297 47.987 -13.315 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.730 47.922 -14.322 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.392 46.736 -15.070 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.949 46.089 -15.549 1.00 0.00 H new ATOM 371 N LYS A 26 2.756 46.151 -11.619 1.00 0.00 N ATOM 372 CA LYS A 26 1.773 46.396 -10.526 1.00 0.00 C ATOM 373 C LYS A 26 0.460 45.690 -10.869 1.00 0.00 C ATOM 374 O LYS A 26 -0.534 45.831 -10.184 1.00 0.00 O ATOM 375 CB LYS A 26 1.525 47.900 -10.385 1.00 0.00 C ATOM 376 CG LYS A 26 2.860 48.645 -10.436 1.00 0.00 C ATOM 377 CD LYS A 26 2.658 50.086 -9.964 1.00 0.00 C ATOM 378 CE LYS A 26 4.018 50.721 -9.667 1.00 0.00 C ATOM 379 NZ LYS A 26 4.012 51.287 -8.288 1.00 0.00 N ATOM 0 H LYS A 26 2.496 46.532 -12.529 1.00 0.00 H new ATOM 0 HA LYS A 26 2.165 46.009 -9.586 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.872 48.248 -11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.016 48.109 -9.444 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.593 48.143 -9.804 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.255 48.636 -11.452 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.136 50.661 -10.729 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.034 50.103 -9.071 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.808 49.976 -9.762 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.231 51.506 -10.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.936 51.719 -8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.268 52.010 -8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.827 50.528 -7.602 1.00 0.00 H new ATOM 393 N LYS A 27 0.455 44.928 -11.927 1.00 0.00 N ATOM 394 CA LYS A 27 -0.780 44.201 -12.329 1.00 0.00 C ATOM 395 C LYS A 27 -0.387 42.825 -12.864 1.00 0.00 C ATOM 396 O LYS A 27 0.527 42.696 -13.654 1.00 0.00 O ATOM 397 CB LYS A 27 -1.502 44.991 -13.424 1.00 0.00 C ATOM 398 CG LYS A 27 -2.084 46.273 -12.827 1.00 0.00 C ATOM 399 CD LYS A 27 -2.787 47.073 -13.924 1.00 0.00 C ATOM 400 CE LYS A 27 -2.891 48.540 -13.497 1.00 0.00 C ATOM 401 NZ LYS A 27 -1.836 49.335 -14.186 1.00 0.00 N ATOM 0 H LYS A 27 1.260 44.777 -12.535 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.444 44.089 -11.472 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.809 45.234 -14.229 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.297 44.386 -13.860 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.788 46.029 -12.032 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.291 46.871 -12.378 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.233 46.993 -14.859 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.781 46.665 -14.107 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.877 48.933 -13.745 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.777 48.624 -12.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.907 50.331 -13.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.899 48.965 -13.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.965 49.264 -15.216 1.00 0.00 H new ATOM 415 N LEU A 28 -1.059 41.790 -12.440 1.00 0.00 N ATOM 416 CA LEU A 28 -0.700 40.431 -12.932 1.00 0.00 C ATOM 417 C LEU A 28 -1.936 39.740 -13.508 1.00 0.00 C ATOM 418 O LEU A 28 -2.990 39.710 -12.901 1.00 0.00 O ATOM 419 CB LEU A 28 -0.143 39.598 -11.775 1.00 0.00 C ATOM 420 CG LEU A 28 1.164 38.927 -12.204 1.00 0.00 C ATOM 421 CD1 LEU A 28 2.066 38.739 -10.983 1.00 0.00 C ATOM 422 CD2 LEU A 28 0.858 37.563 -12.825 1.00 0.00 C ATOM 0 H LEU A 28 -1.835 41.826 -11.779 1.00 0.00 H new ATOM 0 HA LEU A 28 0.055 40.523 -13.713 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.031 40.234 -10.907 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.869 38.843 -11.475 1.00 0.00 H new ATOM 0 HG LEU A 28 1.670 39.555 -12.937 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.997 38.261 -11.288 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.285 39.710 -10.540 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.560 38.111 -10.250 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.789 37.085 -13.131 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.351 36.935 -12.092 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.215 37.695 -13.695 1.00 0.00 H new ATOM 434 N VAL A 29 -1.803 39.171 -14.672 1.00 0.00 N ATOM 435 CA VAL A 29 -2.949 38.460 -15.304 1.00 0.00 C ATOM 436 C VAL A 29 -2.534 37.012 -15.558 1.00 0.00 C ATOM 437 O VAL A 29 -1.538 36.750 -16.203 1.00 0.00 O ATOM 438 CB VAL A 29 -3.302 39.133 -16.632 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.535 38.456 -17.234 1.00 0.00 C ATOM 440 CG2 VAL A 29 -3.597 40.614 -16.391 1.00 0.00 C ATOM 0 H VAL A 29 -0.942 39.168 -15.218 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.820 38.493 -14.649 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.463 39.039 -17.322 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.787 38.935 -18.180 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.323 37.401 -17.406 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.374 38.550 -16.545 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.848 41.094 -17.337 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.435 40.710 -15.701 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.718 41.095 -15.963 1.00 0.00 H new ATOM 450 N LEU A 30 -3.274 36.065 -15.053 1.00 0.00 N ATOM 451 CA LEU A 30 -2.890 34.642 -15.272 1.00 0.00 C ATOM 452 C LEU A 30 -4.135 33.787 -15.504 1.00 0.00 C ATOM 453 O LEU A 30 -5.154 33.969 -14.868 1.00 0.00 O ATOM 454 CB LEU A 30 -2.154 34.111 -14.038 1.00 0.00 C ATOM 455 CG LEU A 30 -1.008 35.054 -13.663 1.00 0.00 C ATOM 456 CD1 LEU A 30 -1.095 35.387 -12.172 1.00 0.00 C ATOM 457 CD2 LEU A 30 0.329 34.372 -13.956 1.00 0.00 C ATOM 0 H LEU A 30 -4.120 36.212 -14.503 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.243 34.589 -16.147 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.848 34.019 -13.203 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.763 33.113 -14.239 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.083 35.971 -14.247 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.280 36.059 -11.901 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.049 35.871 -11.962 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.018 34.469 -11.589 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.146 35.043 -13.689 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.406 33.456 -13.371 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.390 34.131 -15.017 1.00 0.00 H new ATOM 469 N ASP A 31 -4.046 32.833 -16.388 1.00 0.00 N ATOM 470 CA ASP A 31 -5.208 31.939 -16.638 1.00 0.00 C ATOM 471 C ASP A 31 -5.138 30.798 -15.627 1.00 0.00 C ATOM 472 O ASP A 31 -4.079 30.262 -15.362 1.00 0.00 O ATOM 473 CB ASP A 31 -5.136 31.378 -18.060 1.00 0.00 C ATOM 474 CG ASP A 31 -6.426 30.617 -18.374 1.00 0.00 C ATOM 475 OD1 ASP A 31 -6.655 29.595 -17.747 1.00 0.00 O ATOM 476 OD2 ASP A 31 -7.162 31.069 -19.235 1.00 0.00 O ATOM 0 H ASP A 31 -3.217 32.634 -16.948 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.144 32.488 -16.532 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.996 32.188 -18.775 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.277 30.714 -18.158 1.00 0.00 H new ATOM 481 N ILE A 32 -6.238 30.425 -15.038 1.00 0.00 N ATOM 482 CA ILE A 32 -6.180 29.334 -14.035 1.00 0.00 C ATOM 483 C ILE A 32 -6.998 28.129 -14.486 1.00 0.00 C ATOM 484 O ILE A 32 -8.168 28.231 -14.798 1.00 0.00 O ATOM 485 CB ILE A 32 -6.727 29.850 -12.711 1.00 0.00 C ATOM 486 CG1 ILE A 32 -6.104 31.218 -12.416 1.00 0.00 C ATOM 487 CG2 ILE A 32 -6.405 28.851 -11.597 1.00 0.00 C ATOM 488 CD1 ILE A 32 -5.920 31.397 -10.913 1.00 0.00 C ATOM 0 H ILE A 32 -7.162 30.823 -15.206 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.143 29.019 -13.921 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.810 29.959 -12.767 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.142 31.305 -12.921 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.742 32.009 -12.809 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.797 29.223 -10.650 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.863 27.889 -11.827 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.325 28.729 -11.519 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.476 32.373 -10.714 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.889 31.331 -10.417 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.263 30.615 -10.531 1.00 0.00 H new ATOM 500 N LYS A 33 -6.389 26.977 -14.475 1.00 0.00 N ATOM 501 CA LYS A 33 -7.121 25.741 -14.850 1.00 0.00 C ATOM 502 C LYS A 33 -7.341 24.936 -13.573 1.00 0.00 C ATOM 503 O LYS A 33 -6.412 24.486 -12.935 1.00 0.00 O ATOM 504 CB LYS A 33 -6.312 24.924 -15.859 1.00 0.00 C ATOM 505 CG LYS A 33 -6.210 25.693 -17.177 1.00 0.00 C ATOM 506 CD LYS A 33 -5.737 24.748 -18.284 1.00 0.00 C ATOM 507 CE LYS A 33 -6.634 23.509 -18.315 1.00 0.00 C ATOM 508 NZ LYS A 33 -6.545 22.864 -19.656 1.00 0.00 N ATOM 0 H LYS A 33 -5.411 26.840 -14.221 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.074 25.990 -15.317 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.316 24.724 -15.465 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.789 23.958 -16.026 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.179 26.119 -17.437 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.513 26.525 -17.072 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.767 25.256 -19.248 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.701 24.456 -18.110 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.328 22.806 -17.540 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.666 23.789 -18.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.155 22.022 -19.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.857 23.536 -20.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.561 22.584 -19.842 1.00 0.00 H new ATOM 522 N TYR A 34 -8.573 24.778 -13.190 1.00 0.00 N ATOM 523 CA TYR A 34 -8.885 24.034 -11.945 1.00 0.00 C ATOM 524 C TYR A 34 -9.849 22.887 -12.254 1.00 0.00 C ATOM 525 O TYR A 34 -11.013 23.098 -12.530 1.00 0.00 O ATOM 526 CB TYR A 34 -9.528 25.004 -10.957 1.00 0.00 C ATOM 527 CG TYR A 34 -9.824 24.288 -9.660 1.00 0.00 C ATOM 528 CD1 TYR A 34 -8.805 24.101 -8.718 1.00 0.00 C ATOM 529 CD2 TYR A 34 -11.115 23.812 -9.400 1.00 0.00 C ATOM 530 CE1 TYR A 34 -9.075 23.439 -7.516 1.00 0.00 C ATOM 531 CE2 TYR A 34 -11.386 23.150 -8.196 1.00 0.00 C ATOM 532 CZ TYR A 34 -10.366 22.963 -7.254 1.00 0.00 C ATOM 533 OH TYR A 34 -10.634 22.311 -6.068 1.00 0.00 O ATOM 0 H TYR A 34 -9.385 25.137 -13.692 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.974 23.615 -11.518 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.862 25.847 -10.774 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.448 25.410 -11.378 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.810 24.468 -8.920 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.901 23.955 -10.127 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.288 23.295 -6.790 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.382 22.784 -7.994 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.578 22.047 -6.046 1.00 0.00 H new ATOM 543 N THR A 35 -9.370 21.674 -12.211 1.00 0.00 N ATOM 544 CA THR A 35 -10.257 20.513 -12.505 1.00 0.00 C ATOM 545 C THR A 35 -10.520 19.731 -11.216 1.00 0.00 C ATOM 546 O THR A 35 -9.617 19.192 -10.609 1.00 0.00 O ATOM 547 CB THR A 35 -9.579 19.599 -13.529 1.00 0.00 C ATOM 548 OG1 THR A 35 -9.211 20.360 -14.670 1.00 0.00 O ATOM 549 CG2 THR A 35 -10.546 18.488 -13.943 1.00 0.00 C ATOM 0 H THR A 35 -8.404 21.437 -11.985 1.00 0.00 H new ATOM 0 HA THR A 35 -11.203 20.872 -12.910 1.00 0.00 H new ATOM 0 HB THR A 35 -8.688 19.155 -13.086 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.775 19.776 -15.326 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.062 17.838 -14.672 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.827 17.904 -13.066 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.439 18.929 -14.386 1.00 0.00 H new ATOM 557 N ARG A 36 -11.753 19.667 -10.796 1.00 0.00 N ATOM 558 CA ARG A 36 -12.081 18.922 -9.549 1.00 0.00 C ATOM 559 C ARG A 36 -13.388 18.151 -9.747 1.00 0.00 C ATOM 560 O ARG A 36 -14.417 18.725 -10.045 1.00 0.00 O ATOM 561 CB ARG A 36 -12.241 19.908 -8.392 1.00 0.00 C ATOM 562 CG ARG A 36 -11.766 19.255 -7.092 1.00 0.00 C ATOM 563 CD ARG A 36 -12.972 18.965 -6.196 1.00 0.00 C ATOM 564 NE ARG A 36 -12.584 17.986 -5.142 1.00 0.00 N ATOM 565 CZ ARG A 36 -13.388 17.008 -4.832 1.00 0.00 C ATOM 566 NH1 ARG A 36 -13.477 15.964 -5.611 1.00 0.00 N ATOM 567 NH2 ARG A 36 -14.105 17.071 -3.743 1.00 0.00 N ATOM 0 H ARG A 36 -12.549 20.100 -11.264 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.276 18.223 -9.320 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.664 20.812 -8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.284 20.209 -8.299 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.232 18.331 -7.311 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.066 19.913 -6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.328 19.888 -5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.794 18.568 -6.792 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.689 18.081 -4.663 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.917 15.914 -6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.106 15.199 -5.368 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.036 17.886 -3.134 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.734 16.305 -3.501 1.00 0.00 H new ATOM 581 N PRO A 37 -13.340 16.822 -9.580 1.00 0.00 N ATOM 582 CA PRO A 37 -14.517 15.959 -9.740 1.00 0.00 C ATOM 583 C PRO A 37 -15.528 16.155 -8.607 1.00 0.00 C ATOM 584 O PRO A 37 -15.230 15.933 -7.450 1.00 0.00 O ATOM 585 CB PRO A 37 -13.936 14.547 -9.681 1.00 0.00 C ATOM 586 CG PRO A 37 -12.673 14.691 -8.902 1.00 0.00 C ATOM 587 CD PRO A 37 -12.133 16.056 -9.220 1.00 0.00 C ATOM 0 HA PRO A 37 -15.058 16.175 -10.661 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.624 13.855 -9.195 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.743 14.156 -10.680 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.862 14.587 -7.833 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.957 13.916 -9.176 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.618 16.494 -8.365 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.417 16.024 -10.041 1.00 0.00 H new ATOM 595 N GLY A 38 -16.723 16.566 -8.931 1.00 0.00 N ATOM 596 CA GLY A 38 -17.753 16.772 -7.873 1.00 0.00 C ATOM 597 C GLY A 38 -17.685 18.213 -7.364 1.00 0.00 C ATOM 598 O GLY A 38 -18.565 18.676 -6.664 1.00 0.00 O ATOM 0 H GLY A 38 -17.031 16.768 -9.882 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.746 16.563 -8.272 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.588 16.077 -7.050 1.00 0.00 H new ATOM 602 N ASP A 39 -16.649 18.927 -7.705 1.00 0.00 N ATOM 603 CA ASP A 39 -16.529 20.337 -7.236 1.00 0.00 C ATOM 604 C ASP A 39 -15.946 21.203 -8.354 1.00 0.00 C ATOM 605 O ASP A 39 -15.677 20.733 -9.442 1.00 0.00 O ATOM 606 CB ASP A 39 -15.610 20.391 -6.014 1.00 0.00 C ATOM 607 CG ASP A 39 -16.397 20.906 -4.808 1.00 0.00 C ATOM 608 OD1 ASP A 39 -16.858 22.034 -4.863 1.00 0.00 O ATOM 609 OD2 ASP A 39 -16.524 20.164 -3.848 1.00 0.00 O ATOM 0 H ASP A 39 -15.880 18.596 -8.288 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.515 20.714 -6.966 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -15.208 19.400 -5.803 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.760 21.044 -6.213 1.00 0.00 H new ATOM 614 N SER A 40 -15.750 22.467 -8.095 1.00 0.00 N ATOM 615 CA SER A 40 -15.187 23.365 -9.142 1.00 0.00 C ATOM 616 C SER A 40 -14.519 24.568 -8.474 1.00 0.00 C ATOM 617 O SER A 40 -14.750 24.854 -7.315 1.00 0.00 O ATOM 618 CB SER A 40 -16.316 23.855 -10.051 1.00 0.00 C ATOM 619 OG SER A 40 -16.634 22.843 -10.996 1.00 0.00 O ATOM 0 H SER A 40 -15.956 22.917 -7.203 1.00 0.00 H new ATOM 0 HA SER A 40 -14.451 22.819 -9.733 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.195 24.102 -9.456 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.013 24.767 -10.566 1.00 0.00 H new ATOM 0 HG SER A 40 -16.242 21.992 -10.708 1.00 0.00 H new ATOM 625 N LEU A 41 -13.697 25.279 -9.195 1.00 0.00 N ATOM 626 CA LEU A 41 -13.022 26.465 -8.599 1.00 0.00 C ATOM 627 C LEU A 41 -14.060 27.559 -8.344 1.00 0.00 C ATOM 628 O LEU A 41 -14.792 27.951 -9.232 1.00 0.00 O ATOM 629 CB LEU A 41 -11.957 26.988 -9.565 1.00 0.00 C ATOM 630 CG LEU A 41 -11.385 28.299 -9.028 1.00 0.00 C ATOM 631 CD1 LEU A 41 -10.621 28.027 -7.731 1.00 0.00 C ATOM 632 CD2 LEU A 41 -10.436 28.904 -10.064 1.00 0.00 C ATOM 0 H LEU A 41 -13.464 25.090 -10.170 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.548 26.182 -7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.162 26.252 -9.680 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.391 27.145 -10.552 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.198 28.998 -8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.212 28.962 -7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.298 27.597 -6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.807 27.329 -7.928 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.028 29.839 -9.681 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.622 28.207 -10.262 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.981 29.097 -10.988 1.00 0.00 H new ATOM 644 N ALA A 42 -14.138 28.052 -7.138 1.00 0.00 N ATOM 645 CA ALA A 42 -15.137 29.114 -6.832 1.00 0.00 C ATOM 646 C ALA A 42 -14.420 30.420 -6.491 1.00 0.00 C ATOM 647 O ALA A 42 -14.801 31.482 -6.940 1.00 0.00 O ATOM 648 CB ALA A 42 -15.989 28.683 -5.638 1.00 0.00 C ATOM 0 H ALA A 42 -13.554 27.765 -6.353 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.773 29.267 -7.704 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.720 29.460 -5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.508 27.755 -5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.348 28.527 -4.771 1.00 0.00 H new ATOM 654 N GLU A 43 -13.391 30.355 -5.692 1.00 0.00 N ATOM 655 CA GLU A 43 -12.665 31.603 -5.324 1.00 0.00 C ATOM 656 C GLU A 43 -11.155 31.359 -5.335 1.00 0.00 C ATOM 657 O GLU A 43 -10.683 30.280 -5.036 1.00 0.00 O ATOM 658 CB GLU A 43 -13.095 32.049 -3.925 1.00 0.00 C ATOM 659 CG GLU A 43 -14.554 32.507 -3.962 1.00 0.00 C ATOM 660 CD GLU A 43 -14.876 33.283 -2.683 1.00 0.00 C ATOM 661 OE1 GLU A 43 -14.035 33.306 -1.799 1.00 0.00 O ATOM 662 OE2 GLU A 43 -15.959 33.841 -2.608 1.00 0.00 O ATOM 0 H GLU A 43 -13.023 29.497 -5.280 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.906 32.379 -6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.978 31.228 -3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.456 32.861 -3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.727 33.136 -4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.215 31.645 -4.054 1.00 0.00 H new ATOM 669 N VAL A 44 -10.398 32.364 -5.680 1.00 0.00 N ATOM 670 CA VAL A 44 -8.916 32.217 -5.716 1.00 0.00 C ATOM 671 C VAL A 44 -8.279 33.481 -5.136 1.00 0.00 C ATOM 672 O VAL A 44 -8.695 34.582 -5.439 1.00 0.00 O ATOM 673 CB VAL A 44 -8.463 32.044 -7.167 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.954 31.791 -7.202 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.193 30.854 -7.793 1.00 0.00 C ATOM 0 H VAL A 44 -10.745 33.287 -5.940 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.614 31.348 -5.132 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.695 32.948 -7.730 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.630 31.667 -8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.433 32.638 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.724 30.887 -6.639 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.870 30.732 -8.827 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.962 29.949 -7.231 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.268 31.032 -7.768 1.00 0.00 H new ATOM 685 N GLU A 45 -7.275 33.349 -4.313 1.00 0.00 N ATOM 686 CA GLU A 45 -6.640 34.572 -3.746 1.00 0.00 C ATOM 687 C GLU A 45 -5.129 34.524 -3.978 1.00 0.00 C ATOM 688 O GLU A 45 -4.529 33.470 -4.041 1.00 0.00 O ATOM 689 CB GLU A 45 -6.933 34.670 -2.247 1.00 0.00 C ATOM 690 CG GLU A 45 -8.398 35.056 -2.035 1.00 0.00 C ATOM 691 CD GLU A 45 -8.665 35.241 -0.540 1.00 0.00 C ATOM 692 OE1 GLU A 45 -7.739 35.062 0.233 1.00 0.00 O ATOM 693 OE2 GLU A 45 -9.792 35.557 -0.194 1.00 0.00 O ATOM 0 H GLU A 45 -6.872 32.462 -4.012 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.052 35.450 -4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.724 33.716 -1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.281 35.412 -1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.624 35.977 -2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.051 34.283 -2.439 1.00 0.00 H new ATOM 700 N LEU A 46 -4.516 35.668 -4.119 1.00 0.00 N ATOM 701 CA LEU A 46 -3.048 35.712 -4.361 1.00 0.00 C ATOM 702 C LEU A 46 -2.362 36.462 -3.221 1.00 0.00 C ATOM 703 O LEU A 46 -2.872 37.440 -2.712 1.00 0.00 O ATOM 704 CB LEU A 46 -2.785 36.444 -5.683 1.00 0.00 C ATOM 705 CG LEU A 46 -1.282 36.481 -5.982 1.00 0.00 C ATOM 706 CD1 LEU A 46 -0.586 37.471 -5.048 1.00 0.00 C ATOM 707 CD2 LEU A 46 -0.679 35.091 -5.787 1.00 0.00 C ATOM 0 H LEU A 46 -4.973 36.579 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.653 34.697 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.312 35.943 -6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.177 37.460 -5.628 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.138 36.798 -7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.481 37.490 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.005 38.466 -5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.738 37.163 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.389 35.124 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.833 34.769 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.163 34.386 -6.463 1.00 0.00 H new ATOM 719 N ARG A 47 -1.202 36.022 -2.828 1.00 0.00 N ATOM 720 CA ARG A 47 -0.469 36.717 -1.732 1.00 0.00 C ATOM 721 C ARG A 47 0.948 37.038 -2.210 1.00 0.00 C ATOM 722 O ARG A 47 1.681 36.169 -2.641 1.00 0.00 O ATOM 723 CB ARG A 47 -0.410 35.816 -0.496 1.00 0.00 C ATOM 724 CG ARG A 47 0.621 36.366 0.491 1.00 0.00 C ATOM 725 CD ARG A 47 0.365 35.773 1.879 1.00 0.00 C ATOM 726 NE ARG A 47 0.922 34.392 1.940 1.00 0.00 N ATOM 727 CZ ARG A 47 1.320 33.898 3.080 1.00 0.00 C ATOM 728 NH1 ARG A 47 2.231 34.518 3.778 1.00 0.00 N ATOM 729 NH2 ARG A 47 0.805 32.783 3.522 1.00 0.00 N ATOM 0 H ARG A 47 -0.727 35.208 -3.219 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.986 37.640 -1.469 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.391 35.766 -0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.144 34.800 -0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.628 36.117 0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.558 37.453 0.531 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.827 36.397 2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.705 35.755 2.087 1.00 0.00 H new ATOM 0 HE ARG A 47 0.992 33.833 1.090 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.633 35.390 3.433 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.542 34.131 4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.092 32.299 2.976 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.115 32.396 4.413 1.00 0.00 H new ATOM 743 N GLN A 48 1.337 38.282 -2.147 1.00 0.00 N ATOM 744 CA GLN A 48 2.701 38.665 -2.606 1.00 0.00 C ATOM 745 C GLN A 48 3.754 37.992 -1.726 1.00 0.00 C ATOM 746 O GLN A 48 3.501 37.646 -0.589 1.00 0.00 O ATOM 747 CB GLN A 48 2.859 40.185 -2.518 1.00 0.00 C ATOM 748 CG GLN A 48 1.734 40.861 -3.303 1.00 0.00 C ATOM 749 CD GLN A 48 2.144 42.293 -3.654 1.00 0.00 C ATOM 750 OE1 GLN A 48 1.483 42.943 -4.572 1.00 0.00 O flip ATOM 751 NE2 GLN A 48 3.078 42.824 -3.086 1.00 0.00 N flip ATOM 0 H GLN A 48 0.767 39.051 -1.796 1.00 0.00 H new ATOM 0 HA GLN A 48 2.837 38.341 -3.638 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.833 40.504 -1.476 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.827 40.484 -2.919 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.522 40.299 -4.213 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.818 40.868 -2.712 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.594 42.315 -2.368 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.345 43.778 -3.327 1.00 0.00 H new ATOM 760 N HIS A 49 4.937 37.806 -2.245 1.00 0.00 N ATOM 761 CA HIS A 49 6.012 37.159 -1.445 1.00 0.00 C ATOM 762 C HIS A 49 6.519 38.136 -0.382 1.00 0.00 C ATOM 763 O HIS A 49 7.023 39.198 -0.689 1.00 0.00 O ATOM 764 CB HIS A 49 7.169 36.768 -2.367 1.00 0.00 C ATOM 765 CG HIS A 49 8.368 36.396 -1.538 1.00 0.00 C ATOM 766 ND1 HIS A 49 8.347 35.340 -0.640 1.00 0.00 N ATOM 767 CD2 HIS A 49 9.631 36.930 -1.459 1.00 0.00 C ATOM 768 CE1 HIS A 49 9.562 35.272 -0.065 1.00 0.00 C ATOM 769 NE2 HIS A 49 10.383 36.219 -0.529 1.00 0.00 N ATOM 0 H HIS A 49 5.205 38.076 -3.192 1.00 0.00 H new ATOM 0 HA HIS A 49 5.614 36.268 -0.960 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.877 35.930 -2.999 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.415 37.597 -3.030 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.986 37.774 -2.032 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.840 34.541 0.680 1.00 0.00 H new ATOM 0 HE2 HIS A 49 11.353 36.385 -0.259 1.00 0.00 H new ATOM 777 N GLY A 50 6.391 37.781 0.868 1.00 0.00 N ATOM 778 CA GLY A 50 6.868 38.685 1.953 1.00 0.00 C ATOM 779 C GLY A 50 5.676 39.424 2.565 1.00 0.00 C ATOM 780 O GLY A 50 5.836 40.306 3.385 1.00 0.00 O ATOM 0 H GLY A 50 5.977 36.904 1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.384 38.108 2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.587 39.401 1.554 1.00 0.00 H new ATOM 784 N SER A 51 4.482 39.072 2.173 1.00 0.00 N ATOM 785 CA SER A 51 3.284 39.756 2.736 1.00 0.00 C ATOM 786 C SER A 51 2.452 38.752 3.534 1.00 0.00 C ATOM 787 O SER A 51 2.521 37.559 3.314 1.00 0.00 O ATOM 788 CB SER A 51 2.440 40.325 1.594 1.00 0.00 C ATOM 789 OG SER A 51 1.351 41.060 2.132 1.00 0.00 O ATOM 0 H SER A 51 4.285 38.342 1.489 1.00 0.00 H new ATOM 0 HA SER A 51 3.602 40.566 3.392 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.051 40.970 0.962 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.071 39.517 0.963 1.00 0.00 H new ATOM 0 HG SER A 51 0.811 41.426 1.401 1.00 0.00 H new ATOM 795 N GLU A 52 1.666 39.225 4.461 1.00 0.00 N ATOM 796 CA GLU A 52 0.830 38.298 5.272 1.00 0.00 C ATOM 797 C GLU A 52 -0.649 38.560 4.977 1.00 0.00 C ATOM 798 O GLU A 52 -1.522 38.122 5.699 1.00 0.00 O ATOM 799 CB GLU A 52 1.103 38.532 6.760 1.00 0.00 C ATOM 800 CG GLU A 52 2.611 38.666 6.986 1.00 0.00 C ATOM 801 CD GLU A 52 2.872 39.108 8.427 1.00 0.00 C ATOM 802 OE1 GLU A 52 1.931 39.535 9.075 1.00 0.00 O ATOM 803 OE2 GLU A 52 4.010 39.010 8.859 1.00 0.00 O ATOM 0 H GLU A 52 1.567 40.214 4.692 1.00 0.00 H new ATOM 0 HA GLU A 52 1.076 37.267 5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.592 39.434 7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.708 37.703 7.348 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.105 37.714 6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.031 39.392 6.290 1.00 0.00 H new ATOM 810 N GLU A 53 -0.935 39.273 3.922 1.00 0.00 N ATOM 811 CA GLU A 53 -2.355 39.564 3.582 1.00 0.00 C ATOM 812 C GLU A 53 -2.674 39.012 2.191 1.00 0.00 C ATOM 813 O GLU A 53 -2.178 39.494 1.192 1.00 0.00 O ATOM 814 CB GLU A 53 -2.582 41.077 3.594 1.00 0.00 C ATOM 815 CG GLU A 53 -2.571 41.582 5.037 1.00 0.00 C ATOM 816 CD GLU A 53 -3.291 42.929 5.112 1.00 0.00 C ATOM 817 OE1 GLU A 53 -3.611 43.466 4.064 1.00 0.00 O ATOM 818 OE2 GLU A 53 -3.511 43.402 6.215 1.00 0.00 O ATOM 0 H GLU A 53 -0.246 39.666 3.281 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.007 39.091 4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.804 41.577 3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.534 41.317 3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.060 40.859 5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.545 41.686 5.389 1.00 0.00 H new ATOM 825 N TRP A 54 -3.501 38.007 2.120 1.00 0.00 N ATOM 826 CA TRP A 54 -3.858 37.422 0.796 1.00 0.00 C ATOM 827 C TRP A 54 -4.728 38.407 0.014 1.00 0.00 C ATOM 828 O TRP A 54 -5.644 39.003 0.545 1.00 0.00 O ATOM 829 CB TRP A 54 -4.629 36.118 1.008 1.00 0.00 C ATOM 830 CG TRP A 54 -3.668 35.013 1.309 1.00 0.00 C ATOM 831 CD1 TRP A 54 -3.119 34.768 2.520 1.00 0.00 C ATOM 832 CD2 TRP A 54 -3.136 34.002 0.406 1.00 0.00 C ATOM 833 NE1 TRP A 54 -2.283 33.671 2.419 1.00 0.00 N ATOM 834 CE2 TRP A 54 -2.260 33.163 1.136 1.00 0.00 C ATOM 835 CE3 TRP A 54 -3.325 33.733 -0.961 1.00 0.00 C ATOM 836 CZ2 TRP A 54 -1.596 32.095 0.529 1.00 0.00 C ATOM 837 CZ3 TRP A 54 -2.659 32.661 -1.574 1.00 0.00 C ATOM 838 CH2 TRP A 54 -1.797 31.844 -0.830 1.00 0.00 C ATOM 0 H TRP A 54 -3.947 37.564 2.923 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.947 37.221 0.233 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.338 36.231 1.828 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.209 35.877 0.117 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.303 35.336 3.420 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.749 33.285 3.197 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.988 34.356 -1.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.932 31.468 1.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.811 32.464 -2.625 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.288 31.020 -1.308 1.00 0.00 H new ATOM 849 N GLU A 55 -4.444 38.580 -1.249 1.00 0.00 N ATOM 850 CA GLU A 55 -5.247 39.523 -2.078 1.00 0.00 C ATOM 851 C GLU A 55 -6.173 38.728 -3.000 1.00 0.00 C ATOM 852 O GLU A 55 -5.764 37.773 -3.632 1.00 0.00 O ATOM 853 CB GLU A 55 -4.304 40.382 -2.922 1.00 0.00 C ATOM 854 CG GLU A 55 -3.626 41.423 -2.028 1.00 0.00 C ATOM 855 CD GLU A 55 -4.000 42.827 -2.506 1.00 0.00 C ATOM 856 OE1 GLU A 55 -5.081 43.279 -2.165 1.00 0.00 O ATOM 857 OE2 GLU A 55 -3.200 43.427 -3.205 1.00 0.00 O ATOM 0 H GLU A 55 -3.688 38.107 -1.743 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.844 40.164 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.553 39.754 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.860 40.877 -3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.936 41.285 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.544 41.294 -2.057 1.00 0.00 H new ATOM 864 N PRO A 56 -7.450 39.130 -3.074 1.00 0.00 N ATOM 865 CA PRO A 56 -8.445 38.455 -3.915 1.00 0.00 C ATOM 866 C PRO A 56 -8.216 38.723 -5.406 1.00 0.00 C ATOM 867 O PRO A 56 -7.819 39.802 -5.798 1.00 0.00 O ATOM 868 CB PRO A 56 -9.768 39.083 -3.476 1.00 0.00 C ATOM 869 CG PRO A 56 -9.391 40.423 -2.936 1.00 0.00 C ATOM 870 CD PRO A 56 -8.020 40.273 -2.339 1.00 0.00 C ATOM 0 HA PRO A 56 -8.406 37.372 -3.798 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.460 39.174 -4.313 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.262 38.475 -2.718 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.390 41.173 -3.727 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.107 40.754 -2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.423 41.175 -2.473 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.067 40.078 -1.268 1.00 0.00 H new ATOM 878 N LEU A 57 -8.477 37.755 -6.243 1.00 0.00 N ATOM 879 CA LEU A 57 -8.287 37.962 -7.707 1.00 0.00 C ATOM 880 C LEU A 57 -9.655 38.196 -8.350 1.00 0.00 C ATOM 881 O LEU A 57 -10.668 37.761 -7.838 1.00 0.00 O ATOM 882 CB LEU A 57 -7.645 36.717 -8.323 1.00 0.00 C ATOM 883 CG LEU A 57 -6.175 36.636 -7.907 1.00 0.00 C ATOM 884 CD1 LEU A 57 -6.081 36.496 -6.387 1.00 0.00 C ATOM 885 CD2 LEU A 57 -5.523 35.421 -8.571 1.00 0.00 C ATOM 0 H LEU A 57 -8.814 36.830 -5.976 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.639 38.822 -7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.175 35.823 -7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.724 36.755 -9.409 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.659 37.543 -8.221 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.034 36.438 -6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.545 37.361 -5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.597 35.589 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.476 35.363 -8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.040 34.514 -8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.589 35.520 -9.655 1.00 0.00 H new ATOM 897 N THR A 58 -9.706 38.874 -9.465 1.00 0.00 N ATOM 898 CA THR A 58 -11.025 39.114 -10.112 1.00 0.00 C ATOM 899 C THR A 58 -11.215 38.114 -11.253 1.00 0.00 C ATOM 900 O THR A 58 -10.372 37.979 -12.118 1.00 0.00 O ATOM 901 CB THR A 58 -11.079 40.542 -10.662 1.00 0.00 C ATOM 902 OG1 THR A 58 -10.914 41.465 -9.595 1.00 0.00 O ATOM 903 CG2 THR A 58 -12.429 40.778 -11.342 1.00 0.00 C ATOM 0 H THR A 58 -8.900 39.268 -9.951 1.00 0.00 H new ATOM 0 HA THR A 58 -11.820 38.986 -9.378 1.00 0.00 H new ATOM 0 HB THR A 58 -10.280 40.683 -11.390 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.947 42.380 -9.946 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.467 41.795 -11.733 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.553 40.069 -12.161 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.231 40.638 -10.617 1.00 0.00 H new ATOM 911 N LYS A 59 -12.313 37.411 -11.266 1.00 0.00 N ATOM 912 CA LYS A 59 -12.546 36.423 -12.355 1.00 0.00 C ATOM 913 C LYS A 59 -12.789 37.172 -13.667 1.00 0.00 C ATOM 914 O LYS A 59 -13.809 37.808 -13.843 1.00 0.00 O ATOM 915 CB LYS A 59 -13.773 35.573 -12.013 1.00 0.00 C ATOM 916 CG LYS A 59 -13.745 34.280 -12.828 1.00 0.00 C ATOM 917 CD LYS A 59 -14.905 33.382 -12.398 1.00 0.00 C ATOM 918 CE LYS A 59 -14.932 32.125 -13.271 1.00 0.00 C ATOM 919 NZ LYS A 59 -16.231 32.052 -13.997 1.00 0.00 N ATOM 0 H LYS A 59 -13.057 37.478 -10.572 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.676 35.775 -12.460 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.783 35.343 -10.948 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.685 36.130 -12.227 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.821 34.506 -13.892 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.797 33.764 -12.679 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.795 33.106 -11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.848 33.921 -12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.106 32.146 -13.982 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.798 31.237 -12.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.250 31.198 -14.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -17.011 32.013 -13.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -16.340 32.894 -14.598 1.00 0.00 H new ATOM 933 N LYS A 60 -11.866 37.114 -14.588 1.00 0.00 N ATOM 934 CA LYS A 60 -12.065 37.838 -15.875 1.00 0.00 C ATOM 935 C LYS A 60 -12.315 36.832 -17.000 1.00 0.00 C ATOM 936 O LYS A 60 -11.484 35.995 -17.292 1.00 0.00 O ATOM 937 CB LYS A 60 -10.816 38.663 -16.192 1.00 0.00 C ATOM 938 CG LYS A 60 -10.621 39.731 -15.115 1.00 0.00 C ATOM 939 CD LYS A 60 -10.119 41.023 -15.763 1.00 0.00 C ATOM 940 CE LYS A 60 -10.431 42.208 -14.846 1.00 0.00 C ATOM 941 NZ LYS A 60 -9.727 42.028 -13.544 1.00 0.00 N ATOM 0 H LYS A 60 -10.989 36.600 -14.506 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.927 38.500 -15.789 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.941 38.014 -16.238 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.916 39.133 -17.170 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.561 39.914 -14.595 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.906 39.384 -14.369 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.045 40.960 -15.941 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.595 41.165 -16.733 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.115 43.139 -15.317 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.506 42.282 -14.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.233 42.551 -12.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.702 41.017 -13.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.755 42.390 -13.622 1.00 0.00 H new ATOM 955 N GLY A 61 -13.454 36.905 -17.633 1.00 0.00 N ATOM 956 CA GLY A 61 -13.754 35.951 -18.737 1.00 0.00 C ATOM 957 C GLY A 61 -13.427 34.527 -18.282 1.00 0.00 C ATOM 958 O GLY A 61 -14.245 33.852 -17.690 1.00 0.00 O ATOM 0 H GLY A 61 -14.189 37.584 -17.433 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.805 36.022 -19.018 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.169 36.205 -19.621 1.00 0.00 H new ATOM 962 N ASN A 62 -12.237 34.066 -18.553 1.00 0.00 N ATOM 963 CA ASN A 62 -11.861 32.686 -18.136 1.00 0.00 C ATOM 964 C ASN A 62 -10.498 32.718 -17.441 1.00 0.00 C ATOM 965 O ASN A 62 -9.845 31.705 -17.285 1.00 0.00 O ATOM 966 CB ASN A 62 -11.785 31.782 -19.368 1.00 0.00 C ATOM 967 CG ASN A 62 -13.182 31.247 -19.691 1.00 0.00 C ATOM 968 OD1 ASN A 62 -14.028 31.975 -20.172 1.00 0.00 O ATOM 969 ND2 ASN A 62 -13.460 29.996 -19.446 1.00 0.00 N ATOM 0 H ASN A 62 -11.509 34.585 -19.045 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.611 32.297 -17.448 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.391 32.339 -20.218 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.100 30.954 -19.184 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.388 29.629 -19.658 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -12.750 29.385 -19.042 1.00 0.00 H new ATOM 976 N VAL A 63 -10.064 33.875 -17.020 1.00 0.00 N ATOM 977 CA VAL A 63 -8.746 33.973 -16.333 1.00 0.00 C ATOM 978 C VAL A 63 -8.908 34.766 -15.034 1.00 0.00 C ATOM 979 O VAL A 63 -9.980 35.241 -14.718 1.00 0.00 O ATOM 980 CB VAL A 63 -7.747 34.690 -17.244 1.00 0.00 C ATOM 981 CG1 VAL A 63 -7.512 33.854 -18.504 1.00 0.00 C ATOM 982 CG2 VAL A 63 -8.307 36.058 -17.638 1.00 0.00 C ATOM 0 H VAL A 63 -10.566 34.757 -17.123 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.379 32.972 -16.107 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.803 34.821 -16.714 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.800 34.365 -19.152 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.113 32.879 -18.225 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.455 33.721 -19.034 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.596 36.569 -18.287 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.251 35.926 -18.167 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.474 36.655 -16.741 1.00 0.00 H new ATOM 992 N TRP A 64 -7.852 34.918 -14.282 1.00 0.00 N ATOM 993 CA TRP A 64 -7.953 35.687 -13.011 1.00 0.00 C ATOM 994 C TRP A 64 -6.914 36.809 -13.014 1.00 0.00 C ATOM 995 O TRP A 64 -5.735 36.576 -13.200 1.00 0.00 O ATOM 996 CB TRP A 64 -7.702 34.755 -11.823 1.00 0.00 C ATOM 997 CG TRP A 64 -8.860 33.821 -11.671 1.00 0.00 C ATOM 998 CD1 TRP A 64 -9.103 32.753 -12.463 1.00 0.00 C ATOM 999 CD2 TRP A 64 -9.933 33.853 -10.684 1.00 0.00 C ATOM 1000 NE1 TRP A 64 -10.258 32.127 -12.029 1.00 0.00 N ATOM 1001 CE2 TRP A 64 -10.806 32.767 -10.935 1.00 0.00 C ATOM 1002 CE3 TRP A 64 -10.233 34.707 -9.607 1.00 0.00 C ATOM 1003 CZ2 TRP A 64 -11.935 32.537 -10.147 1.00 0.00 C ATOM 1004 CZ3 TRP A 64 -11.370 34.479 -8.812 1.00 0.00 C ATOM 1005 CH2 TRP A 64 -12.217 33.397 -9.083 1.00 0.00 C ATOM 0 H TRP A 64 -6.927 34.544 -14.493 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.951 36.116 -12.924 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.783 34.190 -11.978 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.568 35.338 -10.911 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.495 32.439 -13.298 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -10.656 31.295 -12.464 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.585 35.543 -9.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -12.585 31.701 -10.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -11.591 35.141 -7.988 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -13.089 33.227 -8.469 1.00 0.00 H new ATOM 1016 N GLU A 65 -7.341 38.025 -12.813 1.00 0.00 N ATOM 1017 CA GLU A 65 -6.379 39.162 -12.807 1.00 0.00 C ATOM 1018 C GLU A 65 -6.350 39.798 -11.418 1.00 0.00 C ATOM 1019 O GLU A 65 -7.326 39.781 -10.695 1.00 0.00 O ATOM 1020 CB GLU A 65 -6.816 40.207 -13.836 1.00 0.00 C ATOM 1021 CG GLU A 65 -6.653 39.638 -15.247 1.00 0.00 C ATOM 1022 CD GLU A 65 -6.743 40.774 -16.267 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -6.580 41.916 -15.869 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -6.976 40.483 -17.429 1.00 0.00 O ATOM 0 H GLU A 65 -8.315 38.280 -12.653 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.384 38.796 -13.061 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.855 40.489 -13.664 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.218 41.112 -13.727 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.693 39.129 -15.337 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.427 38.896 -15.443 1.00 0.00 H new ATOM 1031 N VAL A 66 -5.238 40.363 -11.042 1.00 0.00 N ATOM 1032 CA VAL A 66 -5.144 41.003 -9.701 1.00 0.00 C ATOM 1033 C VAL A 66 -4.254 42.243 -9.795 1.00 0.00 C ATOM 1034 O VAL A 66 -3.244 42.244 -10.471 1.00 0.00 O ATOM 1035 CB VAL A 66 -4.538 40.015 -8.704 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -3.306 39.356 -9.325 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -4.133 40.756 -7.429 1.00 0.00 C ATOM 0 H VAL A 66 -4.389 40.409 -11.606 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.140 41.292 -9.364 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.275 39.250 -8.459 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.873 38.651 -8.615 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.596 38.825 -10.232 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.570 40.121 -9.572 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.701 40.050 -6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.397 41.522 -7.672 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.012 41.224 -6.986 1.00 0.00 H new ATOM 1047 N LYS A 67 -4.618 43.300 -9.123 1.00 0.00 N ATOM 1048 CA LYS A 67 -3.788 44.535 -9.180 1.00 0.00 C ATOM 1049 C LYS A 67 -3.343 44.920 -7.768 1.00 0.00 C ATOM 1050 O LYS A 67 -4.128 44.947 -6.841 1.00 0.00 O ATOM 1051 CB LYS A 67 -4.602 45.677 -9.791 1.00 0.00 C ATOM 1052 CG LYS A 67 -5.235 45.209 -11.102 1.00 0.00 C ATOM 1053 CD LYS A 67 -5.861 46.406 -11.822 1.00 0.00 C ATOM 1054 CE LYS A 67 -6.983 46.989 -10.961 1.00 0.00 C ATOM 1055 NZ LYS A 67 -6.559 48.312 -10.420 1.00 0.00 N ATOM 0 H LYS A 67 -5.452 43.362 -8.539 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.910 44.349 -9.798 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.377 45.998 -9.095 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.960 46.539 -9.972 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.481 44.743 -11.736 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.995 44.453 -10.902 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.103 47.166 -12.014 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.254 46.097 -12.790 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.890 47.101 -11.554 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.219 46.308 -10.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.322 48.708 -9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.704 48.192 -9.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.355 48.960 -11.208 1.00 0.00 H new ATOM 1069 N SER A 68 -2.083 45.220 -7.602 1.00 0.00 N ATOM 1070 CA SER A 68 -1.569 45.605 -6.259 1.00 0.00 C ATOM 1071 C SER A 68 -1.057 47.044 -6.310 1.00 0.00 C ATOM 1072 O SER A 68 -0.343 47.426 -7.217 1.00 0.00 O ATOM 1073 CB SER A 68 -0.418 44.673 -5.873 1.00 0.00 C ATOM 1074 OG SER A 68 -0.158 44.792 -4.482 1.00 0.00 O ATOM 0 H SER A 68 -1.384 45.214 -8.345 1.00 0.00 H new ATOM 0 HA SER A 68 -2.369 45.525 -5.522 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.673 43.642 -6.119 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.476 44.926 -6.444 1.00 0.00 H new ATOM 0 HG SER A 68 0.598 44.217 -4.240 1.00 0.00 H new ATOM 1080 N SER A 69 -1.411 47.847 -5.346 1.00 0.00 N ATOM 1081 CA SER A 69 -0.938 49.258 -5.350 1.00 0.00 C ATOM 1082 C SER A 69 0.592 49.279 -5.316 1.00 0.00 C ATOM 1083 O SER A 69 1.218 50.265 -5.650 1.00 0.00 O ATOM 1084 CB SER A 69 -1.488 49.987 -4.122 1.00 0.00 C ATOM 1085 OG SER A 69 -2.902 49.865 -4.094 1.00 0.00 O ATOM 0 H SER A 69 -2.005 47.588 -4.558 1.00 0.00 H new ATOM 0 HA SER A 69 -1.290 49.758 -6.253 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.058 49.566 -3.213 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.203 51.039 -4.152 1.00 0.00 H new ATOM 0 HG SER A 69 -3.255 50.330 -3.307 1.00 0.00 H new ATOM 1091 N LYS A 70 1.198 48.195 -4.915 1.00 0.00 N ATOM 1092 CA LYS A 70 2.686 48.147 -4.859 1.00 0.00 C ATOM 1093 C LYS A 70 3.197 47.110 -5.863 1.00 0.00 C ATOM 1094 O LYS A 70 2.426 46.455 -6.535 1.00 0.00 O ATOM 1095 CB LYS A 70 3.126 47.757 -3.448 1.00 0.00 C ATOM 1096 CG LYS A 70 3.892 48.921 -2.816 1.00 0.00 C ATOM 1097 CD LYS A 70 2.981 49.661 -1.835 1.00 0.00 C ATOM 1098 CE LYS A 70 3.592 49.607 -0.433 1.00 0.00 C ATOM 1099 NZ LYS A 70 3.172 50.811 0.338 1.00 0.00 N ATOM 0 H LYS A 70 0.726 47.339 -4.623 1.00 0.00 H new ATOM 0 HA LYS A 70 3.096 49.126 -5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.257 47.506 -2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.757 46.869 -3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.776 48.549 -2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.240 49.604 -3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.856 50.697 -2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.990 49.207 -1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.269 48.702 0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.679 49.566 -0.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.587 50.775 1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.501 51.668 -0.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.135 50.831 0.412 1.00 0.00 H new ATOM 1113 N PRO A 71 4.527 46.964 -5.969 1.00 0.00 N ATOM 1114 CA PRO A 71 5.146 46.008 -6.896 1.00 0.00 C ATOM 1115 C PRO A 71 4.936 44.559 -6.445 1.00 0.00 C ATOM 1116 O PRO A 71 4.990 44.249 -5.272 1.00 0.00 O ATOM 1117 CB PRO A 71 6.631 46.364 -6.841 1.00 0.00 C ATOM 1118 CG PRO A 71 6.817 47.005 -5.508 1.00 0.00 C ATOM 1119 CD PRO A 71 5.530 47.717 -5.195 1.00 0.00 C ATOM 0 HA PRO A 71 4.716 46.072 -7.896 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.255 45.476 -6.944 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.906 47.043 -7.649 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.043 46.259 -4.746 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.653 47.704 -5.527 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.310 47.699 -4.128 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.567 48.764 -5.496 1.00 0.00 H new ATOM 1127 N LEU A 72 4.696 43.670 -7.371 1.00 0.00 N ATOM 1128 CA LEU A 72 4.483 42.242 -6.998 1.00 0.00 C ATOM 1129 C LEU A 72 5.827 41.590 -6.670 1.00 0.00 C ATOM 1130 O LEU A 72 6.820 41.820 -7.331 1.00 0.00 O ATOM 1131 CB LEU A 72 3.825 41.503 -8.166 1.00 0.00 C ATOM 1132 CG LEU A 72 2.553 42.242 -8.587 1.00 0.00 C ATOM 1133 CD1 LEU A 72 2.350 42.088 -10.096 1.00 0.00 C ATOM 1134 CD2 LEU A 72 1.351 41.648 -7.849 1.00 0.00 C ATOM 0 H LEU A 72 4.638 43.871 -8.369 1.00 0.00 H new ATOM 0 HA LEU A 72 3.835 42.189 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.517 41.440 -9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.584 40.481 -7.874 1.00 0.00 H new ATOM 0 HG LEU A 72 2.647 43.299 -8.338 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.444 42.614 -10.397 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.206 42.509 -10.623 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.255 41.031 -10.344 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.444 42.174 -8.148 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.257 40.591 -8.099 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.495 41.755 -6.774 1.00 0.00 H new ATOM 1146 N VAL A 73 5.862 40.780 -5.647 1.00 0.00 N ATOM 1147 CA VAL A 73 7.136 40.110 -5.263 1.00 0.00 C ATOM 1148 C VAL A 73 6.923 38.596 -5.214 1.00 0.00 C ATOM 1149 O VAL A 73 6.047 38.104 -4.529 1.00 0.00 O ATOM 1150 CB VAL A 73 7.572 40.607 -3.884 1.00 0.00 C ATOM 1151 CG1 VAL A 73 8.980 40.090 -3.578 1.00 0.00 C ATOM 1152 CG2 VAL A 73 7.575 42.136 -3.870 1.00 0.00 C ATOM 0 H VAL A 73 5.060 40.553 -5.059 1.00 0.00 H new ATOM 0 HA VAL A 73 7.907 40.344 -5.998 1.00 0.00 H new ATOM 0 HB VAL A 73 6.878 40.239 -3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.292 40.444 -2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.977 39.000 -3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.675 40.458 -4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.886 42.490 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.269 42.505 -4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.572 42.504 -4.088 1.00 0.00 H new ATOM 1162 N GLY A 74 7.718 37.855 -5.933 1.00 0.00 N ATOM 1163 CA GLY A 74 7.566 36.372 -5.927 1.00 0.00 C ATOM 1164 C GLY A 74 8.522 35.768 -4.895 1.00 0.00 C ATOM 1165 O GLY A 74 9.384 36.442 -4.368 1.00 0.00 O ATOM 0 H GLY A 74 8.468 38.212 -6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.537 36.102 -5.688 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.780 35.969 -6.917 1.00 0.00 H new ATOM 1169 N PRO A 75 8.360 34.470 -4.602 1.00 0.00 N ATOM 1170 CA PRO A 75 7.324 33.636 -5.226 1.00 0.00 C ATOM 1171 C PRO A 75 5.916 34.044 -4.785 1.00 0.00 C ATOM 1172 O PRO A 75 5.697 34.471 -3.669 1.00 0.00 O ATOM 1173 CB PRO A 75 7.649 32.228 -4.732 1.00 0.00 C ATOM 1174 CG PRO A 75 8.391 32.440 -3.456 1.00 0.00 C ATOM 1175 CD PRO A 75 9.173 33.711 -3.636 1.00 0.00 C ATOM 0 HA PRO A 75 7.326 33.728 -6.312 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.742 31.645 -4.571 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.254 31.683 -5.457 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.704 32.521 -2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.054 31.601 -3.246 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.289 34.250 -2.695 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.175 33.517 -4.018 1.00 0.00 H new ATOM 1183 N PHE A 76 4.963 33.922 -5.666 1.00 0.00 N ATOM 1184 CA PHE A 76 3.567 34.310 -5.326 1.00 0.00 C ATOM 1185 C PHE A 76 2.812 33.117 -4.733 1.00 0.00 C ATOM 1186 O PHE A 76 3.022 31.981 -5.117 1.00 0.00 O ATOM 1187 CB PHE A 76 2.853 34.767 -6.600 1.00 0.00 C ATOM 1188 CG PHE A 76 3.530 36.004 -7.138 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.366 37.233 -6.486 1.00 0.00 C ATOM 1190 CD2 PHE A 76 4.324 35.924 -8.289 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.995 38.380 -6.983 1.00 0.00 C ATOM 1192 CE2 PHE A 76 4.953 37.071 -8.786 1.00 0.00 C ATOM 1193 CZ PHE A 76 4.790 38.299 -8.134 1.00 0.00 C ATOM 0 H PHE A 76 5.093 33.568 -6.614 1.00 0.00 H new ATOM 0 HA PHE A 76 3.591 35.116 -4.593 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.875 33.973 -7.347 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.805 34.976 -6.387 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.753 37.295 -5.599 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.451 34.977 -8.793 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.868 39.327 -6.480 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.565 37.009 -9.674 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.277 39.183 -8.518 1.00 0.00 H new ATOM 1203 N ASN A 77 1.919 33.373 -3.816 1.00 0.00 N ATOM 1204 CA ASN A 77 1.128 32.264 -3.213 1.00 0.00 C ATOM 1205 C ASN A 77 -0.303 32.338 -3.753 1.00 0.00 C ATOM 1206 O ASN A 77 -0.848 33.407 -3.937 1.00 0.00 O ATOM 1207 CB ASN A 77 1.112 32.409 -1.690 1.00 0.00 C ATOM 1208 CG ASN A 77 2.511 32.781 -1.199 1.00 0.00 C ATOM 1209 OD1 ASN A 77 3.355 31.924 -1.025 1.00 0.00 O ATOM 1210 ND2 ASN A 77 2.795 34.033 -0.965 1.00 0.00 N ATOM 0 H ASN A 77 1.703 34.304 -3.458 1.00 0.00 H new ATOM 0 HA ASN A 77 1.576 31.304 -3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.395 33.175 -1.394 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.789 31.476 -1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.725 34.292 -0.636 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.087 34.752 -1.111 1.00 0.00 H new ATOM 1217 N PHE A 78 -0.920 31.220 -4.013 1.00 0.00 N ATOM 1218 CA PHE A 78 -2.312 31.253 -4.548 1.00 0.00 C ATOM 1219 C PHE A 78 -3.204 30.289 -3.761 1.00 0.00 C ATOM 1220 O PHE A 78 -2.974 29.096 -3.743 1.00 0.00 O ATOM 1221 CB PHE A 78 -2.304 30.828 -6.018 1.00 0.00 C ATOM 1222 CG PHE A 78 -1.398 31.733 -6.819 1.00 0.00 C ATOM 1223 CD1 PHE A 78 -0.007 31.569 -6.758 1.00 0.00 C ATOM 1224 CD2 PHE A 78 -1.948 32.732 -7.631 1.00 0.00 C ATOM 1225 CE1 PHE A 78 0.830 32.404 -7.510 1.00 0.00 C ATOM 1226 CE2 PHE A 78 -1.112 33.567 -8.381 1.00 0.00 C ATOM 1227 CZ PHE A 78 0.277 33.402 -8.321 1.00 0.00 C ATOM 0 H PHE A 78 -0.525 30.289 -3.880 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.700 32.267 -4.452 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.966 29.795 -6.103 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.316 30.866 -6.421 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.419 30.799 -6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.019 32.859 -7.679 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.902 32.278 -7.464 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.538 34.338 -9.006 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.922 34.045 -8.901 1.00 0.00 H new ATOM 1237 N ARG A 79 -4.234 30.788 -3.128 1.00 0.00 N ATOM 1238 CA ARG A 79 -5.143 29.878 -2.371 1.00 0.00 C ATOM 1239 C ARG A 79 -6.406 29.650 -3.204 1.00 0.00 C ATOM 1240 O ARG A 79 -6.890 30.543 -3.871 1.00 0.00 O ATOM 1241 CB ARG A 79 -5.508 30.497 -1.020 1.00 0.00 C ATOM 1242 CG ARG A 79 -6.160 29.435 -0.135 1.00 0.00 C ATOM 1243 CD ARG A 79 -6.739 30.096 1.118 1.00 0.00 C ATOM 1244 NE ARG A 79 -5.642 30.754 1.883 1.00 0.00 N ATOM 1245 CZ ARG A 79 -5.926 31.604 2.831 1.00 0.00 C ATOM 1246 NH1 ARG A 79 -7.170 31.897 3.096 1.00 0.00 N ATOM 1247 NH2 ARG A 79 -4.965 32.164 3.514 1.00 0.00 N ATOM 0 H ARG A 79 -4.483 31.777 -3.102 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.643 28.927 -2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.615 30.892 -0.535 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.190 31.335 -1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.949 28.923 -0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.425 28.680 0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.494 30.831 0.839 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.234 29.350 1.740 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.669 30.540 1.665 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.922 31.461 2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.391 32.562 3.838 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.992 31.937 3.306 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.187 32.829 4.255 1.00 0.00 H new ATOM 1261 N PHE A 80 -6.923 28.451 -3.203 1.00 0.00 N ATOM 1262 CA PHE A 80 -8.127 28.158 -4.030 1.00 0.00 C ATOM 1263 C PHE A 80 -9.273 27.618 -3.175 1.00 0.00 C ATOM 1264 O PHE A 80 -9.072 26.845 -2.263 1.00 0.00 O ATOM 1265 CB PHE A 80 -7.767 27.088 -5.056 1.00 0.00 C ATOM 1266 CG PHE A 80 -7.135 27.729 -6.267 1.00 0.00 C ATOM 1267 CD1 PHE A 80 -6.021 28.561 -6.114 1.00 0.00 C ATOM 1268 CD2 PHE A 80 -7.658 27.486 -7.542 1.00 0.00 C ATOM 1269 CE1 PHE A 80 -5.429 29.151 -7.234 1.00 0.00 C ATOM 1270 CE2 PHE A 80 -7.066 28.077 -8.664 1.00 0.00 C ATOM 1271 CZ PHE A 80 -5.951 28.911 -8.509 1.00 0.00 C ATOM 0 H PHE A 80 -6.563 27.662 -2.665 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.445 29.085 -4.507 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -7.079 26.366 -4.615 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.661 26.538 -5.350 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.618 28.748 -5.130 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.518 26.843 -7.660 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.568 29.792 -7.115 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.468 27.890 -9.649 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.495 29.369 -9.374 1.00 0.00 H new ATOM 1281 N MET A 81 -10.481 27.997 -3.488 1.00 0.00 N ATOM 1282 CA MET A 81 -11.649 27.478 -2.723 1.00 0.00 C ATOM 1283 C MET A 81 -12.643 26.865 -3.713 1.00 0.00 C ATOM 1284 O MET A 81 -13.056 27.495 -4.665 1.00 0.00 O ATOM 1285 CB MET A 81 -12.313 28.613 -1.939 1.00 0.00 C ATOM 1286 CG MET A 81 -13.687 28.157 -1.444 1.00 0.00 C ATOM 1287 SD MET A 81 -14.047 28.945 0.145 1.00 0.00 S ATOM 1288 CE MET A 81 -14.623 27.462 1.008 1.00 0.00 C ATOM 0 H MET A 81 -10.710 28.645 -4.242 1.00 0.00 H new ATOM 0 HA MET A 81 -11.321 26.721 -2.011 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.687 28.900 -1.094 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.417 29.494 -2.572 1.00 0.00 H new ATOM 0 HG2 MET A 81 -14.453 28.418 -2.174 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.705 27.072 -1.337 1.00 0.00 H new ATOM 0 HE1 MET A 81 -14.308 27.502 2.051 1.00 0.00 H new ATOM 0 HE2 MET A 81 -15.711 27.412 0.959 1.00 0.00 H new ATOM 0 HE3 MET A 81 -14.198 26.577 0.534 1.00 0.00 H new ATOM 1298 N SER A 82 -13.005 25.624 -3.510 1.00 0.00 N ATOM 1299 CA SER A 82 -13.942 24.954 -4.455 1.00 0.00 C ATOM 1300 C SER A 82 -15.363 25.482 -4.252 1.00 0.00 C ATOM 1301 O SER A 82 -15.770 25.777 -3.144 1.00 0.00 O ATOM 1302 CB SER A 82 -13.928 23.449 -4.193 1.00 0.00 C ATOM 1303 OG SER A 82 -14.773 23.156 -3.091 1.00 0.00 O ATOM 0 H SER A 82 -12.691 25.047 -2.730 1.00 0.00 H new ATOM 0 HA SER A 82 -13.625 25.161 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.267 22.911 -5.079 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.912 23.114 -3.986 1.00 0.00 H new ATOM 0 HG SER A 82 -15.682 22.983 -3.413 1.00 0.00 H new ATOM 1309 N LYS A 83 -16.127 25.580 -5.305 1.00 0.00 N ATOM 1310 CA LYS A 83 -17.529 26.068 -5.163 1.00 0.00 C ATOM 1311 C LYS A 83 -18.204 25.315 -4.012 1.00 0.00 C ATOM 1312 O LYS A 83 -18.884 25.897 -3.189 1.00 0.00 O ATOM 1313 CB LYS A 83 -18.298 25.808 -6.460 1.00 0.00 C ATOM 1314 CG LYS A 83 -17.858 26.814 -7.526 1.00 0.00 C ATOM 1315 CD LYS A 83 -18.612 26.538 -8.828 1.00 0.00 C ATOM 1316 CE LYS A 83 -18.043 27.414 -9.944 1.00 0.00 C ATOM 1317 NZ LYS A 83 -18.735 27.098 -11.225 1.00 0.00 N ATOM 0 H LYS A 83 -15.843 25.344 -6.256 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.526 27.138 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.114 24.791 -6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.370 25.895 -6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -18.057 27.831 -7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.783 26.738 -7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.522 25.485 -9.096 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -19.674 26.744 -8.696 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -18.175 28.467 -9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -16.971 27.242 -10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.348 27.694 -11.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -18.587 26.096 -11.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.753 27.283 -11.124 1.00 0.00 H new ATOM 1331 N GLY A 84 -18.022 24.023 -3.953 1.00 0.00 N ATOM 1332 CA GLY A 84 -18.650 23.218 -2.864 1.00 0.00 C ATOM 1333 C GLY A 84 -18.222 23.755 -1.491 1.00 0.00 C ATOM 1334 O GLY A 84 -18.673 23.284 -0.466 1.00 0.00 O ATOM 0 H GLY A 84 -17.462 23.487 -4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.736 23.255 -2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.358 22.172 -2.960 1.00 0.00 H new ATOM 1338 N GLY A 85 -17.366 24.740 -1.460 1.00 0.00 N ATOM 1339 CA GLY A 85 -16.928 25.302 -0.153 1.00 0.00 C ATOM 1340 C GLY A 85 -15.625 24.637 0.292 1.00 0.00 C ATOM 1341 O GLY A 85 -15.306 24.601 1.464 1.00 0.00 O ATOM 0 H GLY A 85 -16.952 25.179 -2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.785 26.379 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.702 25.143 0.598 1.00 0.00 H new ATOM 1345 N MET A 86 -14.861 24.119 -0.630 1.00 0.00 N ATOM 1346 CA MET A 86 -13.574 23.469 -0.245 1.00 0.00 C ATOM 1347 C MET A 86 -12.445 24.482 -0.418 1.00 0.00 C ATOM 1348 O MET A 86 -12.496 25.327 -1.283 1.00 0.00 O ATOM 1349 CB MET A 86 -13.316 22.255 -1.141 1.00 0.00 C ATOM 1350 CG MET A 86 -14.585 21.403 -1.225 1.00 0.00 C ATOM 1351 SD MET A 86 -14.518 20.097 0.026 1.00 0.00 S ATOM 1352 CE MET A 86 -13.054 19.246 -0.612 1.00 0.00 C ATOM 0 H MET A 86 -15.070 24.117 -1.628 1.00 0.00 H new ATOM 0 HA MET A 86 -13.624 23.137 0.792 1.00 0.00 H new ATOM 0 HB2 MET A 86 -13.018 22.582 -2.137 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.493 21.663 -0.741 1.00 0.00 H new ATOM 0 HG2 MET A 86 -15.465 22.026 -1.069 1.00 0.00 H new ATOM 0 HG3 MET A 86 -14.677 20.965 -2.219 1.00 0.00 H new ATOM 0 HE1 MET A 86 -13.151 18.175 -0.437 1.00 0.00 H new ATOM 0 HE2 MET A 86 -12.963 19.432 -1.682 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.166 19.618 -0.102 1.00 0.00 H new ATOM 1362 N ARG A 87 -11.434 24.427 0.405 1.00 0.00 N ATOM 1363 CA ARG A 87 -10.330 25.419 0.270 1.00 0.00 C ATOM 1364 C ARG A 87 -8.989 24.707 0.070 1.00 0.00 C ATOM 1365 O ARG A 87 -8.695 23.717 0.709 1.00 0.00 O ATOM 1366 CB ARG A 87 -10.265 26.279 1.534 1.00 0.00 C ATOM 1367 CG ARG A 87 -11.435 27.264 1.542 1.00 0.00 C ATOM 1368 CD ARG A 87 -10.985 28.586 2.170 1.00 0.00 C ATOM 1369 NE ARG A 87 -10.547 28.345 3.574 1.00 0.00 N ATOM 1370 CZ ARG A 87 -11.373 28.564 4.561 1.00 0.00 C ATOM 1371 NH1 ARG A 87 -12.593 28.105 4.505 1.00 0.00 N ATOM 1372 NH2 ARG A 87 -10.978 29.242 5.604 1.00 0.00 N ATOM 0 H ARG A 87 -11.325 23.747 1.157 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.526 26.047 -0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.303 25.645 2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.320 26.821 1.570 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.788 27.434 0.525 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.271 26.848 2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.167 29.016 1.591 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -11.802 29.307 2.151 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.603 28.009 3.764 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -12.902 27.575 3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -13.238 28.276 5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.024 29.601 5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.623 29.413 6.375 1.00 0.00 H new ATOM 1386 N ASN A 88 -8.167 25.230 -0.800 1.00 0.00 N ATOM 1387 CA ASN A 88 -6.830 24.621 -1.039 1.00 0.00 C ATOM 1388 C ASN A 88 -5.800 25.750 -1.109 1.00 0.00 C ATOM 1389 O ASN A 88 -6.068 26.807 -1.643 1.00 0.00 O ATOM 1390 CB ASN A 88 -6.842 23.847 -2.359 1.00 0.00 C ATOM 1391 CG ASN A 88 -7.999 22.846 -2.351 1.00 0.00 C ATOM 1392 OD1 ASN A 88 -9.002 23.055 -3.005 1.00 0.00 O ATOM 1393 ND2 ASN A 88 -7.903 21.761 -1.633 1.00 0.00 N ATOM 0 H ASN A 88 -8.368 26.059 -1.359 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.579 23.930 -0.234 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.949 24.536 -3.196 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.895 23.324 -2.495 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.670 21.088 -1.621 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.061 21.585 -1.084 1.00 0.00 H new ATOM 1400 N VAL A 89 -4.635 25.552 -0.561 1.00 0.00 N ATOM 1401 CA VAL A 89 -3.616 26.640 -0.594 1.00 0.00 C ATOM 1402 C VAL A 89 -2.343 26.150 -1.284 1.00 0.00 C ATOM 1403 O VAL A 89 -1.870 25.058 -1.035 1.00 0.00 O ATOM 1404 CB VAL A 89 -3.282 27.072 0.835 1.00 0.00 C ATOM 1405 CG1 VAL A 89 -2.574 28.428 0.805 1.00 0.00 C ATOM 1406 CG2 VAL A 89 -4.571 27.188 1.652 1.00 0.00 C ATOM 0 H VAL A 89 -4.344 24.692 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.021 27.486 -1.150 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.629 26.330 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.336 28.737 1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.654 28.345 0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.227 29.169 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.330 27.496 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.227 27.929 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.075 26.222 1.675 1.00 0.00 H new ATOM 1416 N PHE A 90 -1.778 26.959 -2.136 1.00 0.00 N ATOM 1417 CA PHE A 90 -0.526 26.556 -2.831 1.00 0.00 C ATOM 1418 C PHE A 90 0.544 27.616 -2.570 1.00 0.00 C ATOM 1419 O PHE A 90 0.362 28.781 -2.863 1.00 0.00 O ATOM 1420 CB PHE A 90 -0.778 26.446 -4.336 1.00 0.00 C ATOM 1421 CG PHE A 90 -1.932 25.505 -4.591 1.00 0.00 C ATOM 1422 CD1 PHE A 90 -1.714 24.123 -4.633 1.00 0.00 C ATOM 1423 CD2 PHE A 90 -3.219 26.017 -4.792 1.00 0.00 C ATOM 1424 CE1 PHE A 90 -2.784 23.253 -4.874 1.00 0.00 C ATOM 1425 CE2 PHE A 90 -4.288 25.148 -5.034 1.00 0.00 C ATOM 1426 CZ PHE A 90 -4.072 23.766 -5.075 1.00 0.00 C ATOM 0 H PHE A 90 -2.131 27.884 -2.381 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.194 25.588 -2.456 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.000 27.430 -4.750 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.118 26.083 -4.839 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.721 23.728 -4.480 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.387 27.083 -4.760 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.617 22.187 -4.905 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.281 25.544 -5.189 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.898 23.095 -5.261 1.00 0.00 H new ATOM 1436 N ASP A 91 1.656 27.224 -2.015 1.00 0.00 N ATOM 1437 CA ASP A 91 2.729 28.215 -1.730 1.00 0.00 C ATOM 1438 C ASP A 91 3.807 28.136 -2.812 1.00 0.00 C ATOM 1439 O ASP A 91 4.081 27.085 -3.357 1.00 0.00 O ATOM 1440 CB ASP A 91 3.354 27.911 -0.366 1.00 0.00 C ATOM 1441 CG ASP A 91 2.316 28.144 0.734 1.00 0.00 C ATOM 1442 OD1 ASP A 91 1.292 28.738 0.439 1.00 0.00 O ATOM 1443 OD2 ASP A 91 2.563 27.725 1.852 1.00 0.00 O ATOM 0 H ASP A 91 1.868 26.263 -1.747 1.00 0.00 H new ATOM 0 HA ASP A 91 2.300 29.217 -1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.705 26.880 -0.337 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.223 28.548 -0.202 1.00 0.00 H new ATOM 1448 N GLU A 92 4.426 29.242 -3.117 1.00 0.00 N ATOM 1449 CA GLU A 92 5.495 29.243 -4.153 1.00 0.00 C ATOM 1450 C GLU A 92 4.978 28.615 -5.449 1.00 0.00 C ATOM 1451 O GLU A 92 5.587 27.715 -5.992 1.00 0.00 O ATOM 1452 CB GLU A 92 6.689 28.434 -3.644 1.00 0.00 C ATOM 1453 CG GLU A 92 7.419 29.229 -2.559 1.00 0.00 C ATOM 1454 CD GLU A 92 8.780 28.586 -2.285 1.00 0.00 C ATOM 1455 OE1 GLU A 92 9.056 27.555 -2.876 1.00 0.00 O ATOM 1456 OE2 GLU A 92 9.523 29.135 -1.490 1.00 0.00 O ATOM 0 H GLU A 92 4.236 30.149 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 92 5.796 30.272 -4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.350 27.478 -3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.369 28.212 -4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.551 30.263 -2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.824 29.250 -1.646 1.00 0.00 H new ATOM 1463 N VAL A 93 3.868 29.077 -5.960 1.00 0.00 N ATOM 1464 CA VAL A 93 3.342 28.493 -7.226 1.00 0.00 C ATOM 1465 C VAL A 93 4.017 29.175 -8.417 1.00 0.00 C ATOM 1466 O VAL A 93 4.273 28.561 -9.434 1.00 0.00 O ATOM 1467 CB VAL A 93 1.830 28.715 -7.304 1.00 0.00 C ATOM 1468 CG1 VAL A 93 1.328 28.323 -8.695 1.00 0.00 C ATOM 1469 CG2 VAL A 93 1.131 27.855 -6.249 1.00 0.00 C ATOM 0 H VAL A 93 3.307 29.828 -5.558 1.00 0.00 H new ATOM 0 HA VAL A 93 3.553 27.424 -7.248 1.00 0.00 H new ATOM 0 HB VAL A 93 1.608 29.766 -7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.251 28.481 -8.751 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.824 28.936 -9.447 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.551 27.272 -8.879 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.054 28.014 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.353 26.804 -6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.488 28.134 -5.258 1.00 0.00 H new ATOM 1479 N ILE A 94 4.313 30.440 -8.298 1.00 0.00 N ATOM 1480 CA ILE A 94 4.977 31.160 -9.420 1.00 0.00 C ATOM 1481 C ILE A 94 6.094 32.042 -8.859 1.00 0.00 C ATOM 1482 O ILE A 94 5.875 32.843 -7.972 1.00 0.00 O ATOM 1483 CB ILE A 94 3.947 32.030 -10.145 1.00 0.00 C ATOM 1484 CG1 ILE A 94 3.031 31.141 -10.988 1.00 0.00 C ATOM 1485 CG2 ILE A 94 4.669 33.027 -11.055 1.00 0.00 C ATOM 1486 CD1 ILE A 94 1.745 31.900 -11.321 1.00 0.00 C ATOM 0 H ILE A 94 4.123 31.006 -7.471 1.00 0.00 H new ATOM 0 HA ILE A 94 5.399 30.441 -10.122 1.00 0.00 H new ATOM 0 HB ILE A 94 3.351 32.574 -9.412 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.539 30.845 -11.906 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.795 30.226 -10.445 1.00 0.00 H new ATOM 0 HG21 ILE A 94 3.935 33.646 -11.571 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.321 33.661 -10.455 1.00 0.00 H new ATOM 0 HG23 ILE A 94 5.266 32.484 -11.788 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.093 31.266 -11.922 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.235 32.174 -10.398 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.990 32.802 -11.881 1.00 0.00 H new ATOM 1498 N PRO A 95 7.320 31.881 -9.381 1.00 0.00 N ATOM 1499 CA PRO A 95 8.479 32.656 -8.925 1.00 0.00 C ATOM 1500 C PRO A 95 8.385 34.126 -9.347 1.00 0.00 C ATOM 1501 O PRO A 95 7.631 34.483 -10.230 1.00 0.00 O ATOM 1502 CB PRO A 95 9.660 31.982 -9.621 1.00 0.00 C ATOM 1503 CG PRO A 95 9.068 31.342 -10.832 1.00 0.00 C ATOM 1504 CD PRO A 95 7.669 30.936 -10.456 1.00 0.00 C ATOM 0 HA PRO A 95 8.561 32.667 -7.838 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.427 32.707 -9.891 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.133 31.244 -8.974 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.058 32.036 -11.673 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.654 30.476 -11.140 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.985 31.018 -11.301 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.629 29.902 -10.112 1.00 0.00 H new ATOM 1512 N THR A 96 9.143 34.979 -8.714 1.00 0.00 N ATOM 1513 CA THR A 96 9.098 36.426 -9.066 1.00 0.00 C ATOM 1514 C THR A 96 9.314 36.603 -10.570 1.00 0.00 C ATOM 1515 O THR A 96 8.644 37.389 -11.211 1.00 0.00 O ATOM 1516 CB THR A 96 10.196 37.170 -8.303 1.00 0.00 C ATOM 1517 OG1 THR A 96 10.063 36.913 -6.912 1.00 0.00 O ATOM 1518 CG2 THR A 96 10.068 38.673 -8.560 1.00 0.00 C ATOM 0 H THR A 96 9.793 34.735 -7.967 1.00 0.00 H new ATOM 0 HA THR A 96 8.123 36.831 -8.794 1.00 0.00 H new ATOM 0 HB THR A 96 11.173 36.826 -8.644 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.767 37.388 -6.423 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.850 39.203 -8.016 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.171 38.870 -9.627 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.092 39.018 -8.220 1.00 0.00 H new ATOM 1526 N ALA A 97 10.247 35.891 -11.140 1.00 0.00 N ATOM 1527 CA ALA A 97 10.497 36.040 -12.601 1.00 0.00 C ATOM 1528 C ALA A 97 9.591 35.084 -13.378 1.00 0.00 C ATOM 1529 O ALA A 97 9.870 33.907 -13.494 1.00 0.00 O ATOM 1530 CB ALA A 97 11.961 35.721 -12.907 1.00 0.00 C ATOM 0 H ALA A 97 10.844 35.217 -10.661 1.00 0.00 H new ATOM 0 HA ALA A 97 10.281 37.066 -12.900 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.141 35.831 -13.976 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.605 36.408 -12.358 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.181 34.697 -12.605 1.00 0.00 H new ATOM 1536 N PHE A 98 8.506 35.575 -13.909 1.00 0.00 N ATOM 1537 CA PHE A 98 7.586 34.689 -14.676 1.00 0.00 C ATOM 1538 C PHE A 98 7.687 35.017 -16.167 1.00 0.00 C ATOM 1539 O PHE A 98 7.968 36.135 -16.548 1.00 0.00 O ATOM 1540 CB PHE A 98 6.150 34.911 -14.203 1.00 0.00 C ATOM 1541 CG PHE A 98 5.776 36.361 -14.398 1.00 0.00 C ATOM 1542 CD1 PHE A 98 6.061 37.298 -13.397 1.00 0.00 C ATOM 1543 CD2 PHE A 98 5.146 36.768 -15.580 1.00 0.00 C ATOM 1544 CE1 PHE A 98 5.715 38.642 -13.580 1.00 0.00 C ATOM 1545 CE2 PHE A 98 4.801 38.113 -15.762 1.00 0.00 C ATOM 1546 CZ PHE A 98 5.086 39.050 -14.762 1.00 0.00 C ATOM 0 H PHE A 98 8.217 36.551 -13.845 1.00 0.00 H new ATOM 0 HA PHE A 98 7.865 33.648 -14.512 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.468 34.270 -14.762 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.055 34.638 -13.152 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.547 36.984 -12.485 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.926 36.045 -16.351 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.934 39.365 -12.808 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.315 38.427 -16.674 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.821 40.087 -14.902 1.00 0.00 H new ATOM 1556 N SER A 99 7.456 34.050 -17.012 1.00 0.00 N ATOM 1557 CA SER A 99 7.537 34.309 -18.476 1.00 0.00 C ATOM 1558 C SER A 99 6.133 34.260 -19.077 1.00 0.00 C ATOM 1559 O SER A 99 5.184 33.866 -18.427 1.00 0.00 O ATOM 1560 CB SER A 99 8.412 33.241 -19.136 1.00 0.00 C ATOM 1561 OG SER A 99 7.826 31.962 -18.944 1.00 0.00 O ATOM 0 H SER A 99 7.215 33.094 -16.752 1.00 0.00 H new ATOM 0 HA SER A 99 7.974 35.293 -18.649 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.516 33.449 -20.201 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.414 33.261 -18.708 1.00 0.00 H new ATOM 0 HG SER A 99 7.891 31.711 -17.999 1.00 0.00 H new ATOM 1567 N ILE A 100 5.991 34.654 -20.311 1.00 0.00 N ATOM 1568 CA ILE A 100 4.644 34.623 -20.945 1.00 0.00 C ATOM 1569 C ILE A 100 4.572 33.446 -21.919 1.00 0.00 C ATOM 1570 O ILE A 100 5.487 33.201 -22.681 1.00 0.00 O ATOM 1571 CB ILE A 100 4.399 35.933 -21.697 1.00 0.00 C ATOM 1572 CG1 ILE A 100 4.429 37.102 -20.710 1.00 0.00 C ATOM 1573 CG2 ILE A 100 3.033 35.880 -22.385 1.00 0.00 C ATOM 1574 CD1 ILE A 100 3.219 37.016 -19.778 1.00 0.00 C ATOM 0 H ILE A 100 6.746 34.995 -20.906 1.00 0.00 H new ATOM 0 HA ILE A 100 3.881 34.506 -20.176 1.00 0.00 H new ATOM 0 HB ILE A 100 5.178 36.071 -22.447 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.351 37.077 -20.129 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.418 38.048 -21.251 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.859 36.813 -22.920 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.012 35.048 -23.089 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.254 35.741 -21.636 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.241 37.849 -19.075 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.303 37.062 -20.366 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.250 36.076 -19.227 1.00 0.00 H new ATOM 1586 N GLY A 101 3.492 32.716 -21.903 1.00 0.00 N ATOM 1587 CA GLY A 101 3.363 31.559 -22.831 1.00 0.00 C ATOM 1588 C GLY A 101 3.773 30.271 -22.112 1.00 0.00 C ATOM 1589 O GLY A 101 3.822 29.211 -22.703 1.00 0.00 O ATOM 0 H GLY A 101 2.693 32.871 -21.288 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.335 31.478 -23.185 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.991 31.713 -23.708 1.00 0.00 H new ATOM 1593 N LYS A 102 4.064 30.349 -20.842 1.00 0.00 N ATOM 1594 CA LYS A 102 4.465 29.120 -20.100 1.00 0.00 C ATOM 1595 C LYS A 102 3.464 28.858 -18.975 1.00 0.00 C ATOM 1596 O LYS A 102 2.948 29.776 -18.367 1.00 0.00 O ATOM 1597 CB LYS A 102 5.864 29.308 -19.511 1.00 0.00 C ATOM 1598 CG LYS A 102 6.439 27.945 -19.120 1.00 0.00 C ATOM 1599 CD LYS A 102 7.663 28.146 -18.224 1.00 0.00 C ATOM 1600 CE LYS A 102 8.305 26.789 -17.927 1.00 0.00 C ATOM 1601 NZ LYS A 102 9.719 26.990 -17.504 1.00 0.00 N ATOM 0 H LYS A 102 4.042 31.206 -20.289 1.00 0.00 H new ATOM 0 HA LYS A 102 4.475 28.270 -20.783 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.514 29.794 -20.238 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.819 29.960 -18.638 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.685 27.357 -18.597 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.717 27.386 -20.013 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.383 28.801 -18.715 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.370 28.633 -17.294 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.749 26.276 -17.142 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.266 26.155 -18.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.155 26.068 -17.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.245 27.463 -18.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.745 27.580 -16.648 1.00 0.00 H new ATOM 1615 N THR A 103 3.176 27.617 -18.694 1.00 0.00 N ATOM 1616 CA THR A 103 2.200 27.315 -17.612 1.00 0.00 C ATOM 1617 C THR A 103 2.893 27.458 -16.255 1.00 0.00 C ATOM 1618 O THR A 103 4.079 27.712 -16.185 1.00 0.00 O ATOM 1619 CB THR A 103 1.691 25.881 -17.778 1.00 0.00 C ATOM 1620 OG1 THR A 103 1.464 25.618 -19.155 1.00 0.00 O ATOM 1621 CG2 THR A 103 0.385 25.707 -17.001 1.00 0.00 C ATOM 0 H THR A 103 3.572 26.804 -19.165 1.00 0.00 H new ATOM 0 HA THR A 103 1.360 28.008 -17.667 1.00 0.00 H new ATOM 0 HB THR A 103 2.435 25.184 -17.392 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.140 24.700 -19.264 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.024 24.685 -17.120 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.561 25.909 -15.944 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.362 26.403 -17.384 1.00 0.00 H new ATOM 1629 N TYR A 104 2.180 27.287 -15.175 1.00 0.00 N ATOM 1630 CA TYR A 104 2.824 27.403 -13.838 1.00 0.00 C ATOM 1631 C TYR A 104 1.906 26.774 -12.789 1.00 0.00 C ATOM 1632 O TYR A 104 0.945 27.374 -12.353 1.00 0.00 O ATOM 1633 CB TYR A 104 3.051 28.878 -13.503 1.00 0.00 C ATOM 1634 CG TYR A 104 4.314 29.351 -14.178 1.00 0.00 C ATOM 1635 CD1 TYR A 104 5.558 28.886 -13.736 1.00 0.00 C ATOM 1636 CD2 TYR A 104 4.240 30.254 -15.245 1.00 0.00 C ATOM 1637 CE1 TYR A 104 6.731 29.324 -14.363 1.00 0.00 C ATOM 1638 CE2 TYR A 104 5.414 30.691 -15.873 1.00 0.00 C ATOM 1639 CZ TYR A 104 6.659 30.227 -15.431 1.00 0.00 C ATOM 1640 OH TYR A 104 7.815 30.658 -16.048 1.00 0.00 O ATOM 0 H TYR A 104 1.183 27.073 -15.162 1.00 0.00 H new ATOM 0 HA TYR A 104 3.784 26.887 -13.845 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.201 29.474 -13.836 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.130 29.010 -12.424 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.613 28.190 -12.912 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.280 30.613 -15.584 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.691 28.965 -14.023 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.359 31.386 -16.698 1.00 0.00 H new ATOM 0 HH TYR A 104 8.497 29.956 -15.992 1.00 0.00 H new ATOM 1650 N LYS A 105 2.185 25.565 -12.387 1.00 0.00 N ATOM 1651 CA LYS A 105 1.313 24.904 -11.375 1.00 0.00 C ATOM 1652 C LYS A 105 2.084 24.715 -10.068 1.00 0.00 C ATOM 1653 O LYS A 105 3.293 24.820 -10.025 1.00 0.00 O ATOM 1654 CB LYS A 105 0.859 23.539 -11.901 1.00 0.00 C ATOM 1655 CG LYS A 105 1.964 22.925 -12.763 1.00 0.00 C ATOM 1656 CD LYS A 105 3.184 22.622 -11.891 1.00 0.00 C ATOM 1657 CE LYS A 105 3.697 21.215 -12.204 1.00 0.00 C ATOM 1658 NZ LYS A 105 5.157 21.143 -11.915 1.00 0.00 N ATOM 0 H LYS A 105 2.975 25.008 -12.713 1.00 0.00 H new ATOM 0 HA LYS A 105 0.441 25.532 -11.191 1.00 0.00 H new ATOM 0 HB2 LYS A 105 0.625 22.877 -11.067 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -0.054 23.649 -12.487 1.00 0.00 H new ATOM 0 HG2 LYS A 105 1.605 22.010 -13.235 1.00 0.00 H new ATOM 0 HG3 LYS A 105 2.238 23.611 -13.564 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.968 23.356 -12.076 1.00 0.00 H new ATOM 0 HD3 LYS A 105 2.919 22.698 -10.837 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.160 20.479 -11.605 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.510 20.973 -13.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.506 20.187 -12.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.662 21.835 -12.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.323 21.357 -10.911 1.00 0.00 H new ATOM 1672 N PRO A 106 1.355 24.427 -8.981 1.00 0.00 N ATOM 1673 CA PRO A 106 1.949 24.218 -7.655 1.00 0.00 C ATOM 1674 C PRO A 106 2.738 22.906 -7.586 1.00 0.00 C ATOM 1675 O PRO A 106 2.637 22.064 -8.456 1.00 0.00 O ATOM 1676 CB PRO A 106 0.737 24.147 -6.727 1.00 0.00 C ATOM 1677 CG PRO A 106 -0.386 23.703 -7.604 1.00 0.00 C ATOM 1678 CD PRO A 106 -0.112 24.284 -8.962 1.00 0.00 C ATOM 0 HA PRO A 106 2.656 25.005 -7.395 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.904 23.444 -5.911 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.527 25.116 -6.275 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.438 22.615 -7.649 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.343 24.052 -7.217 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.462 23.627 -9.758 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.611 25.243 -9.097 1.00 0.00 H new