USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=24 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 48 GLN :FLIP amide:sc= -2.14! C(o=-6.6!,f=-0.9!) USER MOD Set 1.2: A 68 SER OG : rot 171:sc= 1.24 USER MOD Set 2.1: A 34 TYR OH : rot 19:sc= -0.659! USER MOD Set 2.2: A 88 ASN : amide:sc= -0.52 X(o=-1.2,f=-1.2) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 16 THR OG1 : rot 130:sc= -1.86! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.682 X(o=-0.68,f=-0.92) USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0507) USER MOD Single : A 23 SER OG : rot 177:sc= -1.4! USER MOD Single : A 26 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.0909) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 0.0176 (180deg=-0.149) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0739) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -26:sc= 0.447 USER MOD Single : A 49 HIS : no HD1:sc= -5.56! C(o=-5.6!,f=-6.1!) 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+ 156:sc= -0.696 (180deg=-1.36) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.865 K(o=-0.86,f=-3.7!) 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 :FLIP amide:sc= -2.87 F(o=-3.6,f=-2.9) USER MOD Single : A 81 MET CE :methyl -115:sc= -2.8! (180deg=-6.72!) USER MOD Single : A 82 SER OG : rot 90:sc= -4.45! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -126:sc= -4.25 (180deg=-12.5!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.984 USER MOD Single : A 99 SER OG : rot 180:sc= 0 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 104 TYR OH : rot 150:sc= -0.429 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 175 N VAL A 13 -7.192 16.818 -6.868 1.00 0.00 N ATOM 176 CA VAL A 13 -7.559 18.070 -7.588 1.00 0.00 C ATOM 177 C VAL A 13 -6.407 18.489 -8.504 1.00 0.00 C ATOM 178 O VAL A 13 -5.256 18.467 -8.116 1.00 0.00 O ATOM 179 CB VAL A 13 -7.829 19.182 -6.573 1.00 0.00 C ATOM 180 CG1 VAL A 13 -8.449 20.385 -7.286 1.00 0.00 C ATOM 181 CG2 VAL A 13 -8.792 18.671 -5.500 1.00 0.00 C ATOM 0 HA VAL A 13 -8.454 17.895 -8.185 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.891 19.482 -6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.641 21.177 -6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.762 20.750 -8.049 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.387 20.086 -7.755 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.984 19.463 -4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.730 18.370 -5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.349 17.815 -4.991 1.00 0.00 H new ATOM 191 N GLN A 14 -6.703 18.873 -9.715 1.00 0.00 N ATOM 192 CA GLN A 14 -5.620 19.295 -10.646 1.00 0.00 C ATOM 193 C GLN A 14 -5.739 20.796 -10.918 1.00 0.00 C ATOM 194 O GLN A 14 -6.757 21.273 -11.378 1.00 0.00 O ATOM 195 CB GLN A 14 -5.749 18.521 -11.959 1.00 0.00 C ATOM 196 CG GLN A 14 -5.201 17.105 -11.768 1.00 0.00 C ATOM 197 CD GLN A 14 -5.347 16.317 -13.071 1.00 0.00 C ATOM 198 OE1 GLN A 14 -5.424 16.893 -14.138 1.00 0.00 O ATOM 199 NE2 GLN A 14 -5.387 15.013 -13.028 1.00 0.00 N ATOM 0 H GLN A 14 -7.647 18.913 -10.099 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.649 19.086 -10.197 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.793 18.480 -12.269 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.201 19.032 -12.751 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.153 17.147 -11.472 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.739 16.602 -10.965 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.322 14.530 -12.132 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.483 14.477 -13.890 1.00 0.00 H new ATOM 208 N VAL A 15 -4.709 21.544 -10.635 1.00 0.00 N ATOM 209 CA VAL A 15 -4.769 23.014 -10.873 1.00 0.00 C ATOM 210 C VAL A 15 -3.546 23.457 -11.682 1.00 0.00 C ATOM 211 O VAL A 15 -2.442 23.003 -11.456 1.00 0.00 O ATOM 212 CB VAL A 15 -4.781 23.747 -9.531 1.00 0.00 C ATOM 213 CG1 VAL A 15 -5.187 25.206 -9.749 1.00 0.00 C ATOM 214 CG2 VAL A 15 -5.782 23.073 -8.590 1.00 0.00 C ATOM 0 H VAL A 15 -3.829 21.202 -10.250 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.676 23.252 -11.429 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.786 23.710 -9.089 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.195 25.728 -8.792 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.473 25.686 -10.418 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.182 25.244 -10.192 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.791 23.595 -7.633 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.778 23.109 -9.032 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.492 22.034 -8.433 1.00 0.00 H new ATOM 224 N THR A 16 -3.735 24.344 -12.621 1.00 0.00 N ATOM 225 CA THR A 16 -2.584 24.821 -13.439 1.00 0.00 C ATOM 226 C THR A 16 -2.737 26.321 -13.698 1.00 0.00 C ATOM 227 O THR A 16 -3.832 26.828 -13.835 1.00 0.00 O ATOM 228 CB THR A 16 -2.559 24.070 -14.773 1.00 0.00 C ATOM 229 OG1 THR A 16 -3.610 24.546 -15.603 1.00 0.00 O ATOM 230 CG2 THR A 16 -2.743 22.573 -14.522 1.00 0.00 C ATOM 0 H THR A 16 -4.637 24.759 -12.857 1.00 0.00 H new ATOM 0 HA THR A 16 -1.653 24.636 -12.904 1.00 0.00 H new ATOM 0 HB THR A 16 -1.602 24.238 -15.266 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.253 24.769 -16.488 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.725 22.040 -15.473 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.936 22.209 -13.886 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.699 22.402 -14.028 1.00 0.00 H new ATOM 238 N PHE A 17 -1.648 27.040 -13.759 1.00 0.00 N ATOM 239 CA PHE A 17 -1.737 28.508 -14.001 1.00 0.00 C ATOM 240 C PHE A 17 -0.985 28.872 -15.281 1.00 0.00 C ATOM 241 O PHE A 17 0.067 28.340 -15.567 1.00 0.00 O ATOM 242 CB PHE A 17 -1.100 29.261 -12.833 1.00 0.00 C ATOM 243 CG PHE A 17 -1.765 28.866 -11.539 1.00 0.00 C ATOM 244 CD1 PHE A 17 -1.653 27.555 -11.064 1.00 0.00 C ATOM 245 CD2 PHE A 17 -2.484 29.817 -10.806 1.00 0.00 C ATOM 246 CE1 PHE A 17 -2.263 27.194 -9.856 1.00 0.00 C ATOM 247 CE2 PHE A 17 -3.091 29.458 -9.599 1.00 0.00 C ATOM 248 CZ PHE A 17 -2.982 28.146 -9.124 1.00 0.00 C ATOM 0 H PHE A 17 -0.702 26.674 -13.652 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.787 28.784 -14.098 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.034 29.040 -12.786 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.196 30.336 -12.987 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.096 26.822 -11.629 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.570 30.829 -11.173 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.179 26.182 -9.490 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.644 30.193 -9.033 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.453 27.868 -8.193 1.00 0.00 H new ATOM 258 N THR A 18 -1.507 29.793 -16.044 1.00 0.00 N ATOM 259 CA THR A 18 -0.807 30.205 -17.292 1.00 0.00 C ATOM 260 C THR A 18 -0.800 31.733 -17.377 1.00 0.00 C ATOM 261 O THR A 18 -1.827 32.374 -17.274 1.00 0.00 O ATOM 262 CB THR A 18 -1.525 29.620 -18.512 1.00 0.00 C ATOM 263 OG1 THR A 18 -1.718 28.225 -18.321 1.00 0.00 O ATOM 264 CG2 THR A 18 -0.679 29.854 -19.765 1.00 0.00 C ATOM 0 H THR A 18 -2.386 30.276 -15.857 1.00 0.00 H new ATOM 0 HA THR A 18 0.217 29.832 -17.277 1.00 0.00 H new ATOM 0 HB THR A 18 -2.492 30.108 -18.634 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.179 27.849 -19.100 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.191 29.437 -20.633 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.532 30.924 -19.910 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.289 29.367 -19.646 1.00 0.00 H new ATOM 272 N VAL A 19 0.349 32.324 -17.563 1.00 0.00 N ATOM 273 CA VAL A 19 0.416 33.812 -17.652 1.00 0.00 C ATOM 274 C VAL A 19 -0.093 34.258 -19.022 1.00 0.00 C ATOM 275 O VAL A 19 0.269 33.698 -20.037 1.00 0.00 O ATOM 276 CB VAL A 19 1.866 34.268 -17.476 1.00 0.00 C ATOM 277 CG1 VAL A 19 1.913 35.795 -17.370 1.00 0.00 C ATOM 278 CG2 VAL A 19 2.449 33.649 -16.204 1.00 0.00 C ATOM 0 H VAL A 19 1.243 31.842 -17.657 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.201 34.253 -16.870 1.00 0.00 H new ATOM 0 HB VAL A 19 2.453 33.945 -18.336 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.946 36.119 -17.245 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.502 36.236 -18.278 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.324 36.118 -16.511 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.482 33.975 -16.081 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.863 33.968 -15.342 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.419 32.562 -16.281 1.00 0.00 H new ATOM 288 N GLN A 20 -0.931 35.258 -19.068 1.00 0.00 N ATOM 289 CA GLN A 20 -1.455 35.721 -20.382 1.00 0.00 C ATOM 290 C GLN A 20 -0.973 37.146 -20.662 1.00 0.00 C ATOM 291 O GLN A 20 -0.703 37.913 -19.760 1.00 0.00 O ATOM 292 CB GLN A 20 -2.984 35.697 -20.358 1.00 0.00 C ATOM 293 CG GLN A 20 -3.464 34.298 -19.963 1.00 0.00 C ATOM 294 CD GLN A 20 -3.041 33.293 -21.035 1.00 0.00 C ATOM 295 OE1 GLN A 20 -3.067 33.595 -22.212 1.00 0.00 O ATOM 296 NE2 GLN A 20 -2.650 32.101 -20.677 1.00 0.00 N ATOM 0 H GLN A 20 -1.273 35.771 -18.256 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.090 35.058 -21.167 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.359 36.436 -19.650 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.378 35.966 -21.338 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.042 34.016 -18.998 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.548 34.292 -19.851 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.628 31.847 -19.689 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.366 31.423 -21.385 1.00 0.00 H new ATOM 305 N LYS A 21 -0.868 37.502 -21.913 1.00 0.00 N ATOM 306 CA LYS A 21 -0.411 38.873 -22.274 1.00 0.00 C ATOM 307 C LYS A 21 -1.110 39.908 -21.388 1.00 0.00 C ATOM 308 O LYS A 21 -2.305 40.106 -21.487 1.00 0.00 O ATOM 309 CB LYS A 21 -0.776 39.150 -23.734 1.00 0.00 C ATOM 310 CG LYS A 21 -0.018 38.180 -24.642 1.00 0.00 C ATOM 311 CD LYS A 21 -0.327 38.511 -26.104 1.00 0.00 C ATOM 312 CE LYS A 21 0.322 37.466 -27.013 1.00 0.00 C ATOM 313 NZ LYS A 21 -0.496 36.221 -27.002 1.00 0.00 N ATOM 0 H LYS A 21 -1.081 36.897 -22.706 1.00 0.00 H new ATOM 0 HA LYS A 21 0.667 38.941 -22.131 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.850 39.037 -23.879 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.526 40.179 -23.994 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.054 38.254 -24.459 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.309 37.153 -24.420 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.405 38.528 -26.264 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.047 39.505 -26.350 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.402 37.852 -28.029 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.335 37.251 -26.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.166 35.582 -27.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.399 35.750 -26.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.495 36.460 -27.165 1.00 0.00 H new ATOM 327 N GLY A 22 -0.387 40.584 -20.535 1.00 0.00 N ATOM 328 CA GLY A 22 -1.044 41.610 -19.675 1.00 0.00 C ATOM 329 C GLY A 22 -0.423 41.624 -18.276 1.00 0.00 C ATOM 330 O GLY A 22 -0.754 42.459 -17.457 1.00 0.00 O ATOM 0 H GLY A 22 0.617 40.472 -20.397 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.943 42.594 -20.133 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.111 41.401 -19.602 1.00 0.00 H new ATOM 334 N SER A 23 0.464 40.715 -17.980 1.00 0.00 N ATOM 335 CA SER A 23 1.079 40.704 -16.621 1.00 0.00 C ATOM 336 C SER A 23 1.893 41.985 -16.414 1.00 0.00 C ATOM 337 O SER A 23 2.508 42.496 -17.329 1.00 0.00 O ATOM 338 CB SER A 23 1.995 39.487 -16.482 1.00 0.00 C ATOM 339 OG SER A 23 2.736 39.589 -15.275 1.00 0.00 O ATOM 0 H SER A 23 0.788 39.984 -18.614 1.00 0.00 H new ATOM 0 HA SER A 23 0.291 40.651 -15.869 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.404 38.571 -16.482 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.673 39.429 -17.334 1.00 0.00 H new ATOM 0 HG SER A 23 3.282 38.783 -15.157 1.00 0.00 H new ATOM 345 N ASP A 24 1.899 42.507 -15.216 1.00 0.00 N ATOM 346 CA ASP A 24 2.671 43.756 -14.949 1.00 0.00 C ATOM 347 C ASP A 24 3.387 43.638 -13.599 1.00 0.00 C ATOM 348 O ASP A 24 3.203 42.683 -12.872 1.00 0.00 O ATOM 349 CB ASP A 24 1.716 44.954 -14.916 1.00 0.00 C ATOM 350 CG ASP A 24 0.397 44.584 -15.598 1.00 0.00 C ATOM 351 OD1 ASP A 24 -0.253 43.665 -15.128 1.00 0.00 O ATOM 352 OD2 ASP A 24 0.059 45.226 -16.579 1.00 0.00 O ATOM 0 H ASP A 24 1.403 42.123 -14.412 1.00 0.00 H new ATOM 0 HA ASP A 24 3.407 43.900 -15.740 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.531 45.255 -13.885 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.170 45.807 -15.420 1.00 0.00 H new ATOM 357 N PRO A 25 4.224 44.633 -13.266 1.00 0.00 N ATOM 358 CA PRO A 25 4.979 44.651 -12.005 1.00 0.00 C ATOM 359 C PRO A 25 4.070 44.878 -10.793 1.00 0.00 C ATOM 360 O PRO A 25 4.354 44.427 -9.701 1.00 0.00 O ATOM 361 CB PRO A 25 5.931 45.835 -12.174 1.00 0.00 C ATOM 362 CG PRO A 25 5.253 46.725 -13.159 1.00 0.00 C ATOM 363 CD PRO A 25 4.498 45.821 -14.093 1.00 0.00 C ATOM 0 HA PRO A 25 5.483 43.703 -11.820 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.099 46.347 -11.227 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.906 45.511 -12.538 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.577 47.417 -12.657 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.980 47.328 -13.704 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.578 46.286 -14.447 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.088 45.570 -14.975 1.00 0.00 H new ATOM 371 N LYS A 26 2.977 45.565 -10.974 1.00 0.00 N ATOM 372 CA LYS A 26 2.051 45.809 -9.831 1.00 0.00 C ATOM 373 C LYS A 26 0.712 45.130 -10.120 1.00 0.00 C ATOM 374 O LYS A 26 -0.244 45.274 -9.385 1.00 0.00 O ATOM 375 CB LYS A 26 1.835 47.312 -9.660 1.00 0.00 C ATOM 376 CG LYS A 26 1.199 47.882 -10.927 1.00 0.00 C ATOM 377 CD LYS A 26 1.286 49.409 -10.901 1.00 0.00 C ATOM 378 CE LYS A 26 2.560 49.860 -11.618 1.00 0.00 C ATOM 379 NZ LYS A 26 3.558 50.322 -10.613 1.00 0.00 N ATOM 0 H LYS A 26 2.684 45.969 -11.864 1.00 0.00 H new ATOM 0 HA LYS A 26 2.481 45.401 -8.916 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.193 47.502 -8.800 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.786 47.807 -9.463 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.709 47.493 -11.809 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.158 47.568 -10.997 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.411 49.842 -11.385 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.290 49.766 -9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.971 49.038 -12.203 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.332 50.665 -12.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.514 50.056 -10.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.501 51.356 -10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.357 49.877 -9.695 1.00 0.00 H new ATOM 393 N LYS A 27 0.645 44.386 -11.187 1.00 0.00 N ATOM 394 CA LYS A 27 -0.620 43.684 -11.539 1.00 0.00 C ATOM 395 C LYS A 27 -0.273 42.310 -12.110 1.00 0.00 C ATOM 396 O LYS A 27 0.597 42.181 -12.948 1.00 0.00 O ATOM 397 CB LYS A 27 -1.381 44.496 -12.589 1.00 0.00 C ATOM 398 CG LYS A 27 -1.978 45.743 -11.933 1.00 0.00 C ATOM 399 CD LYS A 27 -2.464 46.707 -13.018 1.00 0.00 C ATOM 400 CE LYS A 27 -3.500 46.004 -13.896 1.00 0.00 C ATOM 401 NZ LYS A 27 -2.887 45.659 -15.210 1.00 0.00 N ATOM 0 H LYS A 27 1.418 44.233 -11.835 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.244 43.573 -10.652 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.710 44.783 -13.399 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.172 43.890 -13.030 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.807 45.463 -11.282 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.231 46.230 -11.306 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.901 47.595 -12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.623 47.042 -13.626 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.858 45.101 -13.402 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.365 46.651 -14.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.635 45.403 -15.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.359 46.478 -15.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.238 44.855 -15.090 1.00 0.00 H new ATOM 415 N LEU A 28 -0.937 41.281 -11.666 1.00 0.00 N ATOM 416 CA LEU A 28 -0.623 39.925 -12.196 1.00 0.00 C ATOM 417 C LEU A 28 -1.886 39.307 -12.799 1.00 0.00 C ATOM 418 O LEU A 28 -2.899 39.154 -12.148 1.00 0.00 O ATOM 419 CB LEU A 28 -0.089 39.037 -11.065 1.00 0.00 C ATOM 420 CG LEU A 28 0.756 37.888 -11.629 1.00 0.00 C ATOM 421 CD1 LEU A 28 0.266 37.507 -13.028 1.00 0.00 C ATOM 422 CD2 LEU A 28 2.220 38.321 -11.703 1.00 0.00 C ATOM 0 H LEU A 28 -1.677 41.318 -10.965 1.00 0.00 H new ATOM 0 HA LEU A 28 0.140 40.005 -12.971 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.512 39.635 -10.380 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.922 38.634 -10.489 1.00 0.00 H new ATOM 0 HG LEU A 28 0.660 37.023 -10.973 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.874 36.690 -13.417 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.776 37.190 -12.975 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.350 38.369 -13.690 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.821 37.505 -12.104 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.310 39.191 -12.354 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.575 38.576 -10.705 1.00 0.00 H new ATOM 434 N VAL A 29 -1.806 38.938 -14.048 1.00 0.00 N ATOM 435 CA VAL A 29 -2.966 38.309 -14.733 1.00 0.00 C ATOM 436 C VAL A 29 -2.552 36.904 -15.165 1.00 0.00 C ATOM 437 O VAL A 29 -1.567 36.727 -15.854 1.00 0.00 O ATOM 438 CB VAL A 29 -3.344 39.134 -15.966 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.590 38.532 -16.618 1.00 0.00 C ATOM 440 CG2 VAL A 29 -3.631 40.577 -15.546 1.00 0.00 C ATOM 0 H VAL A 29 -0.975 39.048 -14.629 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.825 38.264 -14.063 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.520 39.122 -16.679 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.860 39.118 -17.496 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.384 37.504 -16.917 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.415 38.544 -15.906 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.900 41.165 -16.424 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.455 40.591 -14.833 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.742 41.004 -15.082 1.00 0.00 H new ATOM 450 N LEU A 30 -3.281 35.901 -14.766 1.00 0.00 N ATOM 451 CA LEU A 30 -2.896 34.518 -15.159 1.00 0.00 C ATOM 452 C LEU A 30 -4.141 33.664 -15.386 1.00 0.00 C ATOM 453 O LEU A 30 -5.140 33.807 -14.706 1.00 0.00 O ATOM 454 CB LEU A 30 -2.067 33.877 -14.039 1.00 0.00 C ATOM 455 CG LEU A 30 -0.836 34.731 -13.734 1.00 0.00 C ATOM 456 CD1 LEU A 30 -0.781 35.026 -12.233 1.00 0.00 C ATOM 457 CD2 LEU A 30 0.426 33.973 -14.149 1.00 0.00 C ATOM 0 H LEU A 30 -4.119 35.977 -14.190 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.315 34.570 -16.080 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.676 33.772 -13.141 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.758 32.874 -14.334 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.897 35.668 -14.288 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.096 35.635 -12.014 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.680 35.565 -11.935 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.720 34.089 -11.680 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.304 34.581 -13.932 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.487 33.037 -13.594 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.388 33.760 -15.217 1.00 0.00 H new ATOM 469 N ASP A 31 -4.073 32.752 -16.313 1.00 0.00 N ATOM 470 CA ASP A 31 -5.231 31.856 -16.557 1.00 0.00 C ATOM 471 C ASP A 31 -5.109 30.682 -15.589 1.00 0.00 C ATOM 472 O ASP A 31 -4.029 30.170 -15.364 1.00 0.00 O ATOM 473 CB ASP A 31 -5.200 31.346 -17.999 1.00 0.00 C ATOM 474 CG ASP A 31 -6.517 30.637 -18.317 1.00 0.00 C ATOM 475 OD1 ASP A 31 -7.461 30.815 -17.563 1.00 0.00 O ATOM 476 OD2 ASP A 31 -6.561 29.926 -19.308 1.00 0.00 O ATOM 0 H ASP A 31 -3.264 32.589 -16.912 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.170 32.388 -16.403 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.047 32.177 -18.687 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.363 30.661 -18.136 1.00 0.00 H new ATOM 481 N ILE A 32 -6.184 30.257 -14.995 1.00 0.00 N ATOM 482 CA ILE A 32 -6.077 29.131 -14.031 1.00 0.00 C ATOM 483 C ILE A 32 -6.995 27.984 -14.440 1.00 0.00 C ATOM 484 O ILE A 32 -8.164 28.172 -14.716 1.00 0.00 O ATOM 485 CB ILE A 32 -6.472 29.612 -12.637 1.00 0.00 C ATOM 486 CG1 ILE A 32 -5.422 30.598 -12.123 1.00 0.00 C ATOM 487 CG2 ILE A 32 -6.558 28.410 -11.694 1.00 0.00 C ATOM 488 CD1 ILE A 32 -6.032 31.465 -11.020 1.00 0.00 C ATOM 0 H ILE A 32 -7.122 30.634 -15.132 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.046 28.777 -14.027 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.441 30.109 -12.680 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.557 30.057 -11.739 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.067 31.227 -12.940 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.840 28.749 -10.697 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.307 27.710 -12.064 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.589 27.914 -11.648 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.284 32.168 -10.654 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.883 32.017 -11.420 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.365 30.829 -10.200 1.00 0.00 H new ATOM 500 N LYS A 33 -6.477 26.788 -14.446 1.00 0.00 N ATOM 501 CA LYS A 33 -7.319 25.615 -14.796 1.00 0.00 C ATOM 502 C LYS A 33 -7.532 24.795 -13.525 1.00 0.00 C ATOM 503 O LYS A 33 -6.599 24.304 -12.923 1.00 0.00 O ATOM 504 CB LYS A 33 -6.624 24.765 -15.863 1.00 0.00 C ATOM 505 CG LYS A 33 -6.329 25.632 -17.088 1.00 0.00 C ATOM 506 CD LYS A 33 -5.803 24.752 -18.222 1.00 0.00 C ATOM 507 CE LYS A 33 -5.497 25.624 -19.443 1.00 0.00 C ATOM 508 NZ LYS A 33 -6.772 26.011 -20.109 1.00 0.00 N ATOM 0 H LYS A 33 -5.505 26.574 -14.223 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.277 25.944 -15.199 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.698 24.349 -15.466 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.257 23.923 -16.143 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.233 26.151 -17.406 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.594 26.397 -16.837 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.903 24.227 -17.902 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.541 23.992 -18.480 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.948 26.515 -19.138 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.860 25.081 -20.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.564 26.456 -21.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.356 25.164 -20.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.288 26.684 -19.507 1.00 0.00 H new ATOM 522 N TYR A 34 -8.758 24.662 -13.106 1.00 0.00 N ATOM 523 CA TYR A 34 -9.044 23.896 -11.864 1.00 0.00 C ATOM 524 C TYR A 34 -9.995 22.743 -12.180 1.00 0.00 C ATOM 525 O TYR A 34 -11.162 22.942 -12.452 1.00 0.00 O ATOM 526 CB TYR A 34 -9.689 24.833 -10.843 1.00 0.00 C ATOM 527 CG TYR A 34 -9.885 24.103 -9.536 1.00 0.00 C ATOM 528 CD1 TYR A 34 -8.825 24.003 -8.627 1.00 0.00 C ATOM 529 CD2 TYR A 34 -11.126 23.530 -9.233 1.00 0.00 C ATOM 530 CE1 TYR A 34 -9.007 23.329 -7.414 1.00 0.00 C ATOM 531 CE2 TYR A 34 -11.307 22.856 -8.020 1.00 0.00 C ATOM 532 CZ TYR A 34 -10.247 22.756 -7.110 1.00 0.00 C ATOM 533 OH TYR A 34 -10.426 22.092 -5.913 1.00 0.00 O ATOM 0 H TYR A 34 -9.577 25.052 -13.572 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.118 23.490 -11.457 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.059 25.709 -10.690 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.648 25.191 -11.218 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.868 24.445 -8.861 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.943 23.608 -9.935 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.190 23.251 -6.712 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.264 22.413 -7.786 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.724 22.358 -5.283 1.00 0.00 H new ATOM 543 N THR A 35 -9.504 21.534 -12.145 1.00 0.00 N ATOM 544 CA THR A 35 -10.380 20.369 -12.443 1.00 0.00 C ATOM 545 C THR A 35 -10.594 19.550 -11.169 1.00 0.00 C ATOM 546 O THR A 35 -9.670 18.989 -10.614 1.00 0.00 O ATOM 547 CB THR A 35 -9.727 19.493 -13.512 1.00 0.00 C ATOM 548 OG1 THR A 35 -9.592 20.237 -14.715 1.00 0.00 O ATOM 549 CG2 THR A 35 -10.597 18.261 -13.767 1.00 0.00 C ATOM 0 H THR A 35 -8.535 21.304 -11.923 1.00 0.00 H new ATOM 0 HA THR A 35 -11.342 20.726 -12.810 1.00 0.00 H new ATOM 0 HB THR A 35 -8.743 19.175 -13.169 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.172 19.677 -15.401 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.130 17.637 -14.529 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.699 17.690 -12.844 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.583 18.576 -14.110 1.00 0.00 H new ATOM 557 N ARG A 36 -11.810 19.479 -10.708 1.00 0.00 N ATOM 558 CA ARG A 36 -12.102 18.698 -9.475 1.00 0.00 C ATOM 559 C ARG A 36 -13.445 17.986 -9.646 1.00 0.00 C ATOM 560 O ARG A 36 -14.462 18.610 -9.875 1.00 0.00 O ATOM 561 CB ARG A 36 -12.171 19.645 -8.275 1.00 0.00 C ATOM 562 CG ARG A 36 -11.769 18.891 -7.006 1.00 0.00 C ATOM 563 CD ARG A 36 -12.570 19.429 -5.817 1.00 0.00 C ATOM 564 NE ARG A 36 -13.318 18.311 -5.176 1.00 0.00 N ATOM 565 CZ ARG A 36 -13.273 18.155 -3.881 1.00 0.00 C ATOM 566 NH1 ARG A 36 -12.181 17.718 -3.314 1.00 0.00 N ATOM 567 NH2 ARG A 36 -14.318 18.435 -3.152 1.00 0.00 N ATOM 0 H ARG A 36 -12.619 19.931 -11.135 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.315 17.963 -9.306 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.507 20.496 -8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.180 20.043 -8.170 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.954 17.824 -7.130 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.701 19.010 -6.822 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.900 19.894 -5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.264 20.201 -6.151 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.865 17.668 -5.749 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.363 17.499 -3.883 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.146 17.596 -2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.172 18.776 -3.594 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.281 18.313 -2.140 1.00 0.00 H new ATOM 581 N PRO A 37 -13.443 16.650 -9.539 1.00 0.00 N ATOM 582 CA PRO A 37 -14.661 15.846 -9.691 1.00 0.00 C ATOM 583 C PRO A 37 -15.630 16.046 -8.523 1.00 0.00 C ATOM 584 O PRO A 37 -15.323 15.742 -7.388 1.00 0.00 O ATOM 585 CB PRO A 37 -14.142 14.409 -9.698 1.00 0.00 C ATOM 586 CG PRO A 37 -12.848 14.472 -8.959 1.00 0.00 C ATOM 587 CD PRO A 37 -12.258 15.821 -9.261 1.00 0.00 C ATOM 0 HA PRO A 37 -15.219 16.118 -10.587 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.844 13.732 -9.211 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.000 14.044 -10.715 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.005 14.347 -7.888 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.178 13.674 -9.278 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.684 16.208 -8.419 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.583 15.783 -10.116 1.00 0.00 H new ATOM 595 N GLY A 38 -16.801 16.553 -8.796 1.00 0.00 N ATOM 596 CA GLY A 38 -17.792 16.770 -7.705 1.00 0.00 C ATOM 597 C GLY A 38 -17.708 18.216 -7.211 1.00 0.00 C ATOM 598 O GLY A 38 -18.553 18.676 -6.470 1.00 0.00 O ATOM 0 H GLY A 38 -17.114 16.826 -9.728 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.798 16.557 -8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.597 16.083 -6.882 1.00 0.00 H new ATOM 602 N ASP A 39 -16.697 18.936 -7.612 1.00 0.00 N ATOM 603 CA ASP A 39 -16.570 20.350 -7.156 1.00 0.00 C ATOM 604 C ASP A 39 -16.079 21.228 -8.311 1.00 0.00 C ATOM 605 O ASP A 39 -15.855 20.760 -9.410 1.00 0.00 O ATOM 606 CB ASP A 39 -15.570 20.424 -6.001 1.00 0.00 C ATOM 607 CG ASP A 39 -16.321 20.690 -4.695 1.00 0.00 C ATOM 608 OD1 ASP A 39 -17.020 21.688 -4.630 1.00 0.00 O ATOM 609 OD2 ASP A 39 -16.186 19.892 -3.783 1.00 0.00 O ATOM 0 H ASP A 39 -15.956 18.609 -8.233 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.544 20.708 -6.822 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -15.012 19.491 -5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.844 21.216 -6.184 1.00 0.00 H new ATOM 614 N SER A 40 -15.915 22.501 -8.069 1.00 0.00 N ATOM 615 CA SER A 40 -15.443 23.415 -9.147 1.00 0.00 C ATOM 616 C SER A 40 -14.770 24.638 -8.517 1.00 0.00 C ATOM 617 O SER A 40 -14.945 24.919 -7.350 1.00 0.00 O ATOM 618 CB SER A 40 -16.635 23.871 -9.988 1.00 0.00 C ATOM 619 OG SER A 40 -17.378 22.739 -10.410 1.00 0.00 O ATOM 0 H SER A 40 -16.088 22.948 -7.168 1.00 0.00 H new ATOM 0 HA SER A 40 -14.729 22.890 -9.782 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.270 24.539 -9.406 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.288 24.435 -10.854 1.00 0.00 H new ATOM 0 HG SER A 40 -16.789 21.957 -10.448 1.00 0.00 H new ATOM 625 N LEU A 41 -14.006 25.368 -9.282 1.00 0.00 N ATOM 626 CA LEU A 41 -13.325 26.571 -8.725 1.00 0.00 C ATOM 627 C LEU A 41 -14.363 27.661 -8.445 1.00 0.00 C ATOM 628 O LEU A 41 -15.149 28.016 -9.301 1.00 0.00 O ATOM 629 CB LEU A 41 -12.304 27.090 -9.740 1.00 0.00 C ATOM 630 CG LEU A 41 -11.609 28.330 -9.178 1.00 0.00 C ATOM 631 CD1 LEU A 41 -11.147 28.052 -7.746 1.00 0.00 C ATOM 632 CD2 LEU A 41 -10.397 28.671 -10.047 1.00 0.00 C ATOM 0 H LEU A 41 -13.824 25.184 -10.269 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.817 26.306 -7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.568 26.316 -9.959 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.801 27.333 -10.679 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.305 29.169 -9.178 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.651 28.936 -7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.010 27.808 -7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.450 27.214 -7.745 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.900 29.555 -9.648 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.701 27.832 -10.046 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.725 28.869 -11.067 1.00 0.00 H new ATOM 644 N ALA A 42 -14.373 28.195 -7.254 1.00 0.00 N ATOM 645 CA ALA A 42 -15.363 29.260 -6.925 1.00 0.00 C ATOM 646 C ALA A 42 -14.633 30.572 -6.636 1.00 0.00 C ATOM 647 O ALA A 42 -15.059 31.632 -7.050 1.00 0.00 O ATOM 648 CB ALA A 42 -16.166 28.846 -5.692 1.00 0.00 C ATOM 0 H ALA A 42 -13.740 27.941 -6.496 1.00 0.00 H new ATOM 0 HA ALA A 42 -16.036 29.399 -7.771 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.890 29.624 -5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.691 27.913 -5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.490 28.705 -4.848 1.00 0.00 H new ATOM 654 N GLU A 43 -13.542 30.515 -5.922 1.00 0.00 N ATOM 655 CA GLU A 43 -12.798 31.770 -5.606 1.00 0.00 C ATOM 656 C GLU A 43 -11.295 31.488 -5.530 1.00 0.00 C ATOM 657 O GLU A 43 -10.870 30.379 -5.270 1.00 0.00 O ATOM 658 CB GLU A 43 -13.283 32.319 -4.263 1.00 0.00 C ATOM 659 CG GLU A 43 -14.785 32.604 -4.344 1.00 0.00 C ATOM 660 CD GLU A 43 -15.279 33.120 -2.991 1.00 0.00 C ATOM 661 OE1 GLU A 43 -14.505 33.092 -2.049 1.00 0.00 O ATOM 662 OE2 GLU A 43 -16.424 33.536 -2.921 1.00 0.00 O ATOM 0 H GLU A 43 -13.134 29.659 -5.545 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.981 32.502 -6.393 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.080 31.600 -3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.741 33.231 -4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.985 33.341 -5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.324 31.697 -4.618 1.00 0.00 H new ATOM 669 N VAL A 44 -10.489 32.490 -5.760 1.00 0.00 N ATOM 670 CA VAL A 44 -9.010 32.299 -5.709 1.00 0.00 C ATOM 671 C VAL A 44 -8.360 33.539 -5.090 1.00 0.00 C ATOM 672 O VAL A 44 -8.767 34.652 -5.359 1.00 0.00 O ATOM 673 CB VAL A 44 -8.481 32.122 -7.134 1.00 0.00 C ATOM 674 CG1 VAL A 44 -7.005 31.723 -7.084 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.282 31.029 -7.843 1.00 0.00 C ATOM 0 H VAL A 44 -10.793 33.438 -5.982 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.774 31.420 -5.109 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.585 33.060 -7.680 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.628 31.597 -8.099 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.434 32.502 -6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.900 30.785 -6.539 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.906 30.903 -8.858 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.179 30.091 -7.298 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.334 31.314 -7.879 1.00 0.00 H new ATOM 685 N GLU A 45 -7.350 33.375 -4.278 1.00 0.00 N ATOM 686 CA GLU A 45 -6.700 34.578 -3.682 1.00 0.00 C ATOM 687 C GLU A 45 -5.190 34.519 -3.934 1.00 0.00 C ATOM 688 O GLU A 45 -4.609 33.459 -4.055 1.00 0.00 O ATOM 689 CB GLU A 45 -6.982 34.640 -2.180 1.00 0.00 C ATOM 690 CG GLU A 45 -8.420 35.110 -1.950 1.00 0.00 C ATOM 691 CD GLU A 45 -8.692 35.202 -0.448 1.00 0.00 C ATOM 692 OE1 GLU A 45 -7.757 35.032 0.316 1.00 0.00 O ATOM 693 OE2 GLU A 45 -9.832 35.442 -0.086 1.00 0.00 O ATOM 0 H GLU A 45 -6.952 32.476 -4.005 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.108 35.475 -4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.833 33.658 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.283 35.322 -1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.576 36.082 -2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.120 34.416 -2.415 1.00 0.00 H new ATOM 700 N LEU A 46 -4.558 35.657 -4.037 1.00 0.00 N ATOM 701 CA LEU A 46 -3.092 35.681 -4.308 1.00 0.00 C ATOM 702 C LEU A 46 -2.356 36.440 -3.199 1.00 0.00 C ATOM 703 O LEU A 46 -2.846 37.420 -2.672 1.00 0.00 O ATOM 704 CB LEU A 46 -2.855 36.388 -5.644 1.00 0.00 C ATOM 705 CG LEU A 46 -1.377 36.755 -5.785 1.00 0.00 C ATOM 706 CD1 LEU A 46 -0.525 35.487 -5.733 1.00 0.00 C ATOM 707 CD2 LEU A 46 -1.156 37.454 -7.125 1.00 0.00 C ATOM 0 H LEU A 46 -4.995 36.574 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.714 34.659 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.158 35.740 -6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.469 37.287 -5.703 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.090 37.419 -4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.528 35.752 -5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.683 34.982 -4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.812 34.822 -6.548 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.103 37.717 -7.229 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.445 36.785 -7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.762 38.359 -7.168 1.00 0.00 H new ATOM 719 N ARG A 47 -1.175 36.001 -2.854 1.00 0.00 N ATOM 720 CA ARG A 47 -0.391 36.698 -1.794 1.00 0.00 C ATOM 721 C ARG A 47 0.992 37.046 -2.345 1.00 0.00 C ATOM 722 O ARG A 47 1.695 36.202 -2.865 1.00 0.00 O ATOM 723 CB ARG A 47 -0.233 35.784 -0.578 1.00 0.00 C ATOM 724 CG ARG A 47 0.179 36.611 0.638 1.00 0.00 C ATOM 725 CD ARG A 47 0.831 35.704 1.690 1.00 0.00 C ATOM 726 NE ARG A 47 0.825 34.284 1.233 1.00 0.00 N ATOM 727 CZ ARG A 47 1.747 33.462 1.653 1.00 0.00 C ATOM 728 NH1 ARG A 47 3.006 33.736 1.454 1.00 0.00 N ATOM 729 NH2 ARG A 47 1.409 32.365 2.275 1.00 0.00 N ATOM 0 H ARG A 47 -0.718 35.186 -3.263 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.914 37.606 -1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.170 35.266 -0.377 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.517 35.019 -0.781 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.876 37.393 0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.693 37.107 1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.855 36.029 1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.295 35.790 2.635 1.00 0.00 H new ATOM 0 HE ARG A 47 0.101 33.956 0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.271 34.594 0.970 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.726 33.093 1.783 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.424 32.151 2.432 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.130 31.722 2.603 1.00 0.00 H new ATOM 743 N GLN A 48 1.391 38.283 -2.233 1.00 0.00 N ATOM 744 CA GLN A 48 2.730 38.681 -2.748 1.00 0.00 C ATOM 745 C GLN A 48 3.814 38.088 -1.849 1.00 0.00 C ATOM 746 O GLN A 48 3.614 37.896 -0.665 1.00 0.00 O ATOM 747 CB GLN A 48 2.843 40.206 -2.746 1.00 0.00 C ATOM 748 CG GLN A 48 1.747 40.797 -3.635 1.00 0.00 C ATOM 749 CD GLN A 48 2.003 42.293 -3.831 1.00 0.00 C ATOM 750 OE1 GLN A 48 1.325 42.944 -4.735 1.00 0.00 O flip ATOM 751 NE2 GLN A 48 2.828 42.873 -3.155 1.00 0.00 N flip ATOM 0 H GLN A 48 0.848 39.034 -1.807 1.00 0.00 H new ATOM 0 HA GLN A 48 2.856 38.309 -3.765 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.747 40.588 -1.729 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.825 40.510 -3.109 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.733 40.290 -4.600 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.770 40.641 -3.179 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.358 42.363 -2.448 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.991 43.870 -3.294 1.00 0.00 H new ATOM 760 N HIS A 49 4.959 37.795 -2.397 1.00 0.00 N ATOM 761 CA HIS A 49 6.052 37.215 -1.568 1.00 0.00 C ATOM 762 C HIS A 49 6.500 38.238 -0.523 1.00 0.00 C ATOM 763 O HIS A 49 7.128 39.229 -0.839 1.00 0.00 O ATOM 764 CB HIS A 49 7.239 36.855 -2.464 1.00 0.00 C ATOM 765 CG HIS A 49 8.145 35.903 -1.733 1.00 0.00 C ATOM 766 ND1 HIS A 49 7.718 34.655 -1.308 1.00 0.00 N ATOM 767 CD2 HIS A 49 9.456 36.005 -1.340 1.00 0.00 C ATOM 768 CE1 HIS A 49 8.754 34.061 -0.689 1.00 0.00 C ATOM 769 NE2 HIS A 49 9.839 34.841 -0.681 1.00 0.00 N ATOM 0 H HIS A 49 5.186 37.932 -3.382 1.00 0.00 H new ATOM 0 HA HIS A 49 5.687 36.318 -1.068 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.886 36.400 -3.389 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.787 37.756 -2.741 1.00 0.00 H new ATOM 0 HD2 HIS A 49 10.093 36.859 -1.516 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.714 33.074 -0.252 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.752 34.629 -0.278 1.00 0.00 H new ATOM 777 N GLY A 50 6.190 38.003 0.723 1.00 0.00 N ATOM 778 CA GLY A 50 6.608 38.959 1.786 1.00 0.00 C ATOM 779 C GLY A 50 5.375 39.630 2.396 1.00 0.00 C ATOM 780 O GLY A 50 5.487 40.491 3.246 1.00 0.00 O ATOM 0 H GLY A 50 5.666 37.191 1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.168 38.434 2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.274 39.714 1.367 1.00 0.00 H new ATOM 784 N SER A 51 4.199 39.251 1.973 1.00 0.00 N ATOM 785 CA SER A 51 2.972 39.878 2.538 1.00 0.00 C ATOM 786 C SER A 51 2.167 38.828 3.305 1.00 0.00 C ATOM 787 O SER A 51 2.259 37.646 3.042 1.00 0.00 O ATOM 788 CB SER A 51 2.119 40.443 1.401 1.00 0.00 C ATOM 789 OG SER A 51 1.063 41.222 1.943 1.00 0.00 O ATOM 0 H SER A 51 4.036 38.537 1.263 1.00 0.00 H new ATOM 0 HA SER A 51 3.256 40.683 3.216 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.734 41.054 0.740 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.713 39.631 0.798 1.00 0.00 H new ATOM 0 HG SER A 51 0.517 41.585 1.215 1.00 0.00 H new ATOM 795 N GLU A 52 1.374 39.250 4.252 1.00 0.00 N ATOM 796 CA GLU A 52 0.561 38.277 5.033 1.00 0.00 C ATOM 797 C GLU A 52 -0.919 38.473 4.701 1.00 0.00 C ATOM 798 O GLU A 52 -1.755 37.660 5.040 1.00 0.00 O ATOM 799 CB GLU A 52 0.782 38.509 6.530 1.00 0.00 C ATOM 800 CG GLU A 52 2.268 38.349 6.858 1.00 0.00 C ATOM 801 CD GLU A 52 3.005 39.651 6.533 1.00 0.00 C ATOM 802 OE1 GLU A 52 2.345 40.601 6.145 1.00 0.00 O ATOM 803 OE2 GLU A 52 4.215 39.675 6.677 1.00 0.00 O ATOM 0 H GLU A 52 1.255 40.227 4.518 1.00 0.00 H new ATOM 0 HA GLU A 52 0.863 37.262 4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.443 39.507 6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.192 37.799 7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.394 38.100 7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.692 37.525 6.283 1.00 0.00 H new ATOM 810 N GLU A 53 -1.248 39.549 4.038 1.00 0.00 N ATOM 811 CA GLU A 53 -2.673 39.799 3.684 1.00 0.00 C ATOM 812 C GLU A 53 -2.944 39.296 2.265 1.00 0.00 C ATOM 813 O GLU A 53 -2.635 39.955 1.291 1.00 0.00 O ATOM 814 CB GLU A 53 -2.962 41.300 3.759 1.00 0.00 C ATOM 815 CG GLU A 53 -4.423 41.557 3.385 1.00 0.00 C ATOM 816 CD GLU A 53 -4.687 43.065 3.363 1.00 0.00 C ATOM 817 OE1 GLU A 53 -3.735 43.815 3.503 1.00 0.00 O ATOM 818 OE2 GLU A 53 -5.836 43.443 3.208 1.00 0.00 O ATOM 0 H GLU A 53 -0.591 40.265 3.727 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.319 39.270 4.385 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.762 41.670 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.301 41.843 3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.641 41.125 2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.084 41.072 4.103 1.00 0.00 H new ATOM 825 N TRP A 54 -3.519 38.133 2.141 1.00 0.00 N ATOM 826 CA TRP A 54 -3.815 37.582 0.788 1.00 0.00 C ATOM 827 C TRP A 54 -4.738 38.539 0.032 1.00 0.00 C ATOM 828 O TRP A 54 -5.637 39.131 0.596 1.00 0.00 O ATOM 829 CB TRP A 54 -4.494 36.219 0.932 1.00 0.00 C ATOM 830 CG TRP A 54 -3.460 35.179 1.215 1.00 0.00 C ATOM 831 CD1 TRP A 54 -2.765 35.065 2.370 1.00 0.00 C ATOM 832 CD2 TRP A 54 -2.991 34.109 0.347 1.00 0.00 C ATOM 833 NE1 TRP A 54 -1.898 33.992 2.265 1.00 0.00 N ATOM 834 CE2 TRP A 54 -2.002 33.369 1.036 1.00 0.00 C ATOM 835 CE3 TRP A 54 -3.325 33.714 -0.959 1.00 0.00 C ATOM 836 CZ2 TRP A 54 -1.368 32.273 0.450 1.00 0.00 C ATOM 837 CZ3 TRP A 54 -2.688 32.613 -1.552 1.00 0.00 C ATOM 838 CH2 TRP A 54 -1.712 31.893 -0.850 1.00 0.00 C ATOM 0 H TRP A 54 -3.798 37.538 2.921 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.885 37.468 0.232 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.227 36.248 1.738 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.035 35.971 0.019 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.870 35.706 3.233 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.260 33.697 3.004 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.076 34.261 -1.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.617 31.722 0.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.952 32.318 -2.557 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.227 31.046 -1.313 1.00 0.00 H new ATOM 849 N GLU A 55 -4.514 38.695 -1.246 1.00 0.00 N ATOM 850 CA GLU A 55 -5.367 39.616 -2.051 1.00 0.00 C ATOM 851 C GLU A 55 -6.304 38.799 -2.944 1.00 0.00 C ATOM 852 O GLU A 55 -5.904 37.826 -3.549 1.00 0.00 O ATOM 853 CB GLU A 55 -4.474 40.497 -2.926 1.00 0.00 C ATOM 854 CG GLU A 55 -4.232 41.837 -2.226 1.00 0.00 C ATOM 855 CD GLU A 55 -3.578 42.813 -3.205 1.00 0.00 C ATOM 856 OE1 GLU A 55 -4.146 43.029 -4.263 1.00 0.00 O ATOM 857 OE2 GLU A 55 -2.521 43.330 -2.880 1.00 0.00 O ATOM 0 H GLU A 55 -3.775 38.223 -1.768 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.958 40.241 -1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.524 39.997 -3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.945 40.661 -3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.175 42.246 -1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.591 41.694 -1.356 1.00 0.00 H new ATOM 864 N PRO A 56 -7.577 39.213 -3.025 1.00 0.00 N ATOM 865 CA PRO A 56 -8.582 38.525 -3.846 1.00 0.00 C ATOM 866 C PRO A 56 -8.352 38.761 -5.342 1.00 0.00 C ATOM 867 O PRO A 56 -7.948 39.830 -5.755 1.00 0.00 O ATOM 868 CB PRO A 56 -9.896 39.174 -3.418 1.00 0.00 C ATOM 869 CG PRO A 56 -9.508 40.524 -2.914 1.00 0.00 C ATOM 870 CD PRO A 56 -8.136 40.380 -2.320 1.00 0.00 C ATOM 0 HA PRO A 56 -8.555 37.445 -3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.591 39.249 -4.254 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.392 38.590 -2.643 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.506 41.254 -3.723 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.219 40.878 -2.167 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.533 41.273 -2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.180 40.215 -1.243 1.00 0.00 H new ATOM 878 N LEU A 57 -8.616 37.778 -6.158 1.00 0.00 N ATOM 879 CA LEU A 57 -8.422 37.955 -7.625 1.00 0.00 C ATOM 880 C LEU A 57 -9.790 38.066 -8.294 1.00 0.00 C ATOM 881 O LEU A 57 -10.745 37.446 -7.868 1.00 0.00 O ATOM 882 CB LEU A 57 -7.682 36.743 -8.195 1.00 0.00 C ATOM 883 CG LEU A 57 -6.202 36.832 -7.828 1.00 0.00 C ATOM 884 CD1 LEU A 57 -6.021 36.448 -6.360 1.00 0.00 C ATOM 885 CD2 LEU A 57 -5.395 35.877 -8.710 1.00 0.00 C ATOM 0 H LEU A 57 -8.958 36.860 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.838 38.856 -7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.111 35.822 -7.800 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.798 36.709 -9.278 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.849 37.851 -7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.966 36.511 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.594 37.130 -5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.374 35.429 -6.204 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.339 35.942 -8.446 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.745 34.856 -8.556 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.525 36.151 -9.757 1.00 0.00 H new ATOM 897 N THR A 58 -9.904 38.838 -9.337 1.00 0.00 N ATOM 898 CA THR A 58 -11.228 38.956 -10.007 1.00 0.00 C ATOM 899 C THR A 58 -11.212 38.119 -11.287 1.00 0.00 C ATOM 900 O THR A 58 -10.345 38.270 -12.125 1.00 0.00 O ATOM 901 CB THR A 58 -11.510 40.422 -10.345 1.00 0.00 C ATOM 902 OG1 THR A 58 -11.458 41.199 -9.156 1.00 0.00 O ATOM 903 CG2 THR A 58 -12.898 40.543 -10.976 1.00 0.00 C ATOM 0 H THR A 58 -9.149 39.386 -9.750 1.00 0.00 H new ATOM 0 HA THR A 58 -12.012 38.593 -9.342 1.00 0.00 H new ATOM 0 HB THR A 58 -10.761 40.784 -11.049 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.637 42.138 -9.371 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.099 41.587 -11.217 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.936 39.947 -11.888 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.650 40.182 -10.274 1.00 0.00 H new ATOM 911 N LYS A 59 -12.157 37.235 -11.445 1.00 0.00 N ATOM 912 CA LYS A 59 -12.179 36.394 -12.673 1.00 0.00 C ATOM 913 C LYS A 59 -12.517 37.280 -13.875 1.00 0.00 C ATOM 914 O LYS A 59 -13.607 37.806 -13.975 1.00 0.00 O ATOM 915 CB LYS A 59 -13.237 35.300 -12.515 1.00 0.00 C ATOM 916 CG LYS A 59 -13.125 34.307 -13.671 1.00 0.00 C ATOM 917 CD LYS A 59 -14.123 33.167 -13.459 1.00 0.00 C ATOM 918 CE LYS A 59 -13.493 31.847 -13.908 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.295 31.268 -15.023 1.00 0.00 N ATOM 0 H LYS A 59 -12.911 37.059 -10.781 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.205 35.929 -12.828 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.102 34.784 -11.565 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.233 35.743 -12.498 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.325 34.809 -14.617 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.111 33.912 -13.728 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.406 33.108 -12.408 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.035 33.358 -14.025 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.466 32.014 -14.233 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.454 31.148 -13.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.696 30.634 -15.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.096 30.731 -14.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.654 32.035 -15.627 1.00 0.00 H new ATOM 933 N LYS A 60 -11.592 37.472 -14.777 1.00 0.00 N ATOM 934 CA LYS A 60 -11.886 38.351 -15.945 1.00 0.00 C ATOM 935 C LYS A 60 -11.746 37.573 -17.257 1.00 0.00 C ATOM 936 O LYS A 60 -10.748 37.672 -17.942 1.00 0.00 O ATOM 937 CB LYS A 60 -10.908 39.528 -15.946 1.00 0.00 C ATOM 938 CG LYS A 60 -11.216 40.447 -14.763 1.00 0.00 C ATOM 939 CD LYS A 60 -11.213 41.904 -15.231 1.00 0.00 C ATOM 940 CE LYS A 60 -11.172 42.831 -14.015 1.00 0.00 C ATOM 941 NZ LYS A 60 -12.558 43.255 -13.664 1.00 0.00 N ATOM 0 H LYS A 60 -10.657 37.064 -14.757 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.911 38.714 -15.863 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.883 39.163 -15.880 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.989 40.082 -16.881 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.186 40.194 -14.336 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.475 40.305 -13.977 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.351 42.089 -15.872 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.103 42.107 -15.827 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.712 42.319 -13.170 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.557 43.705 -14.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.529 43.885 -12.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.981 43.759 -14.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.131 42.417 -13.441 1.00 0.00 H new ATOM 955 N GLY A 61 -12.741 36.812 -17.624 1.00 0.00 N ATOM 956 CA GLY A 61 -12.660 36.049 -18.903 1.00 0.00 C ATOM 957 C GLY A 61 -12.072 34.658 -18.657 1.00 0.00 C ATOM 958 O GLY A 61 -11.051 34.299 -19.207 1.00 0.00 O ATOM 0 H GLY A 61 -13.604 36.686 -17.096 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.653 35.959 -19.344 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.042 36.591 -19.619 1.00 0.00 H new ATOM 962 N ASN A 62 -12.716 33.865 -17.845 1.00 0.00 N ATOM 963 CA ASN A 62 -12.201 32.492 -17.575 1.00 0.00 C ATOM 964 C ASN A 62 -10.798 32.565 -16.964 1.00 0.00 C ATOM 965 O ASN A 62 -10.115 31.567 -16.842 1.00 0.00 O ATOM 966 CB ASN A 62 -12.136 31.715 -18.891 1.00 0.00 C ATOM 967 CG ASN A 62 -13.428 31.938 -19.680 1.00 0.00 C ATOM 968 OD1 ASN A 62 -14.395 32.452 -19.152 1.00 0.00 O ATOM 969 ND2 ASN A 62 -13.486 31.572 -20.931 1.00 0.00 N ATOM 0 H ASN A 62 -13.577 34.109 -17.356 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.869 31.990 -16.875 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.278 32.043 -19.477 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.998 30.652 -18.692 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.342 31.717 -21.466 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -12.675 31.141 -21.374 1.00 0.00 H new ATOM 976 N VAL A 63 -10.360 33.733 -16.584 1.00 0.00 N ATOM 977 CA VAL A 63 -8.999 33.858 -15.987 1.00 0.00 C ATOM 978 C VAL A 63 -9.089 34.635 -14.674 1.00 0.00 C ATOM 979 O VAL A 63 -10.163 34.934 -14.194 1.00 0.00 O ATOM 980 CB VAL A 63 -8.081 34.606 -16.958 1.00 0.00 C ATOM 981 CG1 VAL A 63 -7.766 33.711 -18.158 1.00 0.00 C ATOM 982 CG2 VAL A 63 -8.780 35.878 -17.442 1.00 0.00 C ATOM 0 H VAL A 63 -10.883 34.605 -16.660 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.594 32.864 -15.796 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.154 34.870 -16.449 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.113 34.245 -18.848 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.268 32.804 -17.815 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.693 33.446 -18.667 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.127 36.411 -18.133 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.707 35.613 -17.950 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.004 36.517 -16.588 1.00 0.00 H new ATOM 992 N TRP A 64 -7.970 34.966 -14.088 1.00 0.00 N ATOM 993 CA TRP A 64 -8.002 35.725 -12.806 1.00 0.00 C ATOM 994 C TRP A 64 -6.912 36.798 -12.819 1.00 0.00 C ATOM 995 O TRP A 64 -5.751 36.515 -13.037 1.00 0.00 O ATOM 996 CB TRP A 64 -7.762 34.767 -11.639 1.00 0.00 C ATOM 997 CG TRP A 64 -8.936 33.853 -11.497 1.00 0.00 C ATOM 998 CD1 TRP A 64 -9.146 32.733 -12.226 1.00 0.00 C ATOM 999 CD2 TRP A 64 -10.064 33.963 -10.583 1.00 0.00 C ATOM 1000 NE1 TRP A 64 -10.330 32.148 -11.818 1.00 0.00 N ATOM 1001 CE2 TRP A 64 -10.933 32.870 -10.806 1.00 0.00 C ATOM 1002 CE3 TRP A 64 -10.411 34.896 -9.591 1.00 0.00 C ATOM 1003 CZ2 TRP A 64 -12.108 32.709 -10.070 1.00 0.00 C ATOM 1004 CZ3 TRP A 64 -11.592 34.737 -8.848 1.00 0.00 C ATOM 1005 CH2 TRP A 64 -12.439 33.646 -9.087 1.00 0.00 C ATOM 0 H TRP A 64 -7.039 34.744 -14.440 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.976 36.200 -12.691 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.855 34.188 -11.811 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.612 35.329 -10.718 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.494 32.357 -13.001 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -10.711 31.289 -12.215 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.766 35.740 -9.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -12.757 31.866 -10.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -11.849 35.460 -8.088 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -13.346 33.530 -8.512 1.00 0.00 H new ATOM 1016 N GLU A 65 -7.278 38.028 -12.586 1.00 0.00 N ATOM 1017 CA GLU A 65 -6.263 39.118 -12.585 1.00 0.00 C ATOM 1018 C GLU A 65 -6.155 39.717 -11.182 1.00 0.00 C ATOM 1019 O GLU A 65 -7.099 39.705 -10.415 1.00 0.00 O ATOM 1020 CB GLU A 65 -6.680 40.208 -13.576 1.00 0.00 C ATOM 1021 CG GLU A 65 -7.148 39.560 -14.881 1.00 0.00 C ATOM 1022 CD GLU A 65 -7.255 40.629 -15.971 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -7.444 41.784 -15.624 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -7.147 40.275 -17.134 1.00 0.00 O ATOM 0 H GLU A 65 -8.235 38.325 -12.396 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.296 38.711 -12.880 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.480 40.814 -13.151 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.842 40.878 -13.770 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.447 38.783 -15.186 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.114 39.077 -14.734 1.00 0.00 H new ATOM 1031 N VAL A 66 -5.010 40.244 -10.844 1.00 0.00 N ATOM 1032 CA VAL A 66 -4.832 40.850 -9.494 1.00 0.00 C ATOM 1033 C VAL A 66 -4.044 42.153 -9.625 1.00 0.00 C ATOM 1034 O VAL A 66 -3.047 42.219 -10.318 1.00 0.00 O ATOM 1035 CB VAL A 66 -4.061 39.881 -8.593 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -2.787 39.426 -9.308 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -3.690 40.586 -7.287 1.00 0.00 C ATOM 0 H VAL A 66 -4.188 40.281 -11.446 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.809 41.053 -9.056 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.684 39.014 -8.373 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.237 38.736 -8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.052 38.925 -10.239 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.164 40.293 -9.527 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.141 39.897 -6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.067 41.453 -7.506 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.598 40.911 -6.778 1.00 0.00 H new ATOM 1047 N LYS A 67 -4.476 43.190 -8.963 1.00 0.00 N ATOM 1048 CA LYS A 67 -3.743 44.485 -9.053 1.00 0.00 C ATOM 1049 C LYS A 67 -3.287 44.908 -7.654 1.00 0.00 C ATOM 1050 O LYS A 67 -4.037 44.854 -6.700 1.00 0.00 O ATOM 1051 CB LYS A 67 -4.662 45.556 -9.643 1.00 0.00 C ATOM 1052 CG LYS A 67 -5.286 45.032 -10.938 1.00 0.00 C ATOM 1053 CD LYS A 67 -6.062 46.159 -11.623 1.00 0.00 C ATOM 1054 CE LYS A 67 -6.685 45.635 -12.918 1.00 0.00 C ATOM 1055 NZ LYS A 67 -8.115 45.292 -12.678 1.00 0.00 N ATOM 0 H LYS A 67 -5.302 43.198 -8.365 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.872 44.367 -9.698 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.443 45.814 -8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.097 46.467 -9.841 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.508 44.655 -11.602 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.952 44.197 -10.721 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.840 46.535 -10.959 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.396 46.994 -11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.607 46.388 -13.702 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.142 44.756 -13.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.539 44.936 -13.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.178 44.560 -11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.628 46.141 -12.366 1.00 0.00 H new ATOM 1069 N SER A 68 -2.057 45.323 -7.528 1.00 0.00 N ATOM 1070 CA SER A 68 -1.536 45.744 -6.200 1.00 0.00 C ATOM 1071 C SER A 68 -1.076 47.197 -6.276 1.00 0.00 C ATOM 1072 O SER A 68 -0.285 47.560 -7.125 1.00 0.00 O ATOM 1073 CB SER A 68 -0.343 44.862 -5.827 1.00 0.00 C ATOM 1074 OG SER A 68 -0.023 45.051 -4.456 1.00 0.00 O ATOM 0 H SER A 68 -1.387 45.388 -8.294 1.00 0.00 H new ATOM 0 HA SER A 68 -2.321 45.645 -5.450 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.579 43.815 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.516 45.112 -6.450 1.00 0.00 H new ATOM 0 HG SER A 68 0.641 44.385 -4.180 1.00 0.00 H new ATOM 1080 N SER A 69 -1.552 48.036 -5.399 1.00 0.00 N ATOM 1081 CA SER A 69 -1.118 49.459 -5.437 1.00 0.00 C ATOM 1082 C SER A 69 0.399 49.499 -5.617 1.00 0.00 C ATOM 1083 O SER A 69 0.951 50.441 -6.152 1.00 0.00 O ATOM 1084 CB SER A 69 -1.503 50.152 -4.129 1.00 0.00 C ATOM 1085 OG SER A 69 -0.905 49.468 -3.037 1.00 0.00 O ATOM 0 H SER A 69 -2.218 47.800 -4.663 1.00 0.00 H new ATOM 0 HA SER A 69 -1.605 49.976 -6.264 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.174 51.191 -4.145 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.587 50.162 -4.016 1.00 0.00 H new ATOM 0 HG SER A 69 -1.150 49.913 -2.199 1.00 0.00 H new ATOM 1091 N LYS A 70 1.073 48.471 -5.181 1.00 0.00 N ATOM 1092 CA LYS A 70 2.554 48.422 -5.326 1.00 0.00 C ATOM 1093 C LYS A 70 2.920 47.270 -6.265 1.00 0.00 C ATOM 1094 O LYS A 70 2.060 46.552 -6.736 1.00 0.00 O ATOM 1095 CB LYS A 70 3.188 48.192 -3.952 1.00 0.00 C ATOM 1096 CG LYS A 70 3.942 49.451 -3.524 1.00 0.00 C ATOM 1097 CD LYS A 70 3.043 50.305 -2.628 1.00 0.00 C ATOM 1098 CE LYS A 70 3.832 50.760 -1.398 1.00 0.00 C ATOM 1099 NZ LYS A 70 4.016 52.238 -1.444 1.00 0.00 N ATOM 0 H LYS A 70 0.658 47.657 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 70 2.923 49.361 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.418 47.949 -3.220 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.869 47.342 -3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.852 49.179 -2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.246 50.022 -4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.679 51.171 -3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.168 49.732 -2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.303 50.477 -0.488 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.802 50.263 -1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.552 52.547 -0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.538 52.496 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.086 52.704 -1.450 1.00 0.00 H new ATOM 1113 N PRO A 71 4.220 47.089 -6.546 1.00 0.00 N ATOM 1114 CA PRO A 71 4.690 46.018 -7.435 1.00 0.00 C ATOM 1115 C PRO A 71 4.476 44.630 -6.819 1.00 0.00 C ATOM 1116 O PRO A 71 3.983 44.500 -5.716 1.00 0.00 O ATOM 1117 CB PRO A 71 6.185 46.307 -7.582 1.00 0.00 C ATOM 1118 CG PRO A 71 6.539 47.073 -6.353 1.00 0.00 C ATOM 1119 CD PRO A 71 5.331 47.904 -6.024 1.00 0.00 C ATOM 0 HA PRO A 71 4.151 46.005 -8.382 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.762 45.385 -7.655 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.391 46.885 -8.483 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.786 46.401 -5.531 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.412 47.703 -6.523 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.238 48.075 -4.952 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.372 48.884 -6.500 1.00 0.00 H new ATOM 1127 N LEU A 72 4.836 43.592 -7.526 1.00 0.00 N ATOM 1128 CA LEU A 72 4.644 42.216 -6.984 1.00 0.00 C ATOM 1129 C LEU A 72 6.003 41.578 -6.699 1.00 0.00 C ATOM 1130 O LEU A 72 6.960 41.777 -7.421 1.00 0.00 O ATOM 1131 CB LEU A 72 3.888 41.366 -8.008 1.00 0.00 C ATOM 1132 CG LEU A 72 2.726 42.175 -8.588 1.00 0.00 C ATOM 1133 CD1 LEU A 72 2.591 41.877 -10.083 1.00 0.00 C ATOM 1134 CD2 LEU A 72 1.430 41.790 -7.872 1.00 0.00 C ATOM 0 H LEU A 72 5.255 43.638 -8.455 1.00 0.00 H new ATOM 0 HA LEU A 72 4.071 42.271 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.562 41.055 -8.806 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.513 40.458 -7.536 1.00 0.00 H new ATOM 0 HG LEU A 72 2.918 43.239 -8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.763 42.454 -10.496 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.514 42.151 -10.593 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.399 40.814 -10.226 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.602 42.366 -8.284 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.238 40.726 -8.013 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.525 42.003 -6.807 1.00 0.00 H new ATOM 1146 N VAL A 73 6.093 40.809 -5.648 1.00 0.00 N ATOM 1147 CA VAL A 73 7.385 40.151 -5.310 1.00 0.00 C ATOM 1148 C VAL A 73 7.191 38.634 -5.294 1.00 0.00 C ATOM 1149 O VAL A 73 6.354 38.112 -4.585 1.00 0.00 O ATOM 1150 CB VAL A 73 7.850 40.623 -3.932 1.00 0.00 C ATOM 1151 CG1 VAL A 73 9.315 40.231 -3.723 1.00 0.00 C ATOM 1152 CG2 VAL A 73 7.712 42.144 -3.841 1.00 0.00 C ATOM 0 H VAL A 73 5.325 40.608 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 73 8.136 40.413 -6.055 1.00 0.00 H new ATOM 0 HB VAL A 73 7.236 40.155 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.645 40.568 -2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.414 39.147 -3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.930 40.698 -4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.043 42.481 -2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.325 42.612 -4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.669 42.424 -3.988 1.00 0.00 H new ATOM 1162 N GLY A 74 7.959 37.920 -6.071 1.00 0.00 N ATOM 1163 CA GLY A 74 7.820 36.436 -6.099 1.00 0.00 C ATOM 1164 C GLY A 74 8.786 35.814 -5.090 1.00 0.00 C ATOM 1165 O GLY A 74 9.684 36.465 -4.594 1.00 0.00 O ATOM 0 H GLY A 74 8.677 38.300 -6.688 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.795 36.152 -5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.030 36.059 -7.100 1.00 0.00 H new ATOM 1169 N PRO A 75 8.595 34.522 -4.781 1.00 0.00 N ATOM 1170 CA PRO A 75 7.518 33.715 -5.368 1.00 0.00 C ATOM 1171 C PRO A 75 6.136 34.147 -4.867 1.00 0.00 C ATOM 1172 O PRO A 75 5.973 34.582 -3.745 1.00 0.00 O ATOM 1173 CB PRO A 75 7.831 32.298 -4.893 1.00 0.00 C ATOM 1174 CG PRO A 75 8.623 32.487 -3.643 1.00 0.00 C ATOM 1175 CD PRO A 75 9.418 33.747 -3.837 1.00 0.00 C ATOM 0 HA PRO A 75 7.480 33.816 -6.453 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.919 31.733 -4.703 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.398 31.745 -5.642 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.968 32.570 -2.776 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.280 31.636 -3.466 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.563 34.280 -2.897 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.408 33.540 -4.242 1.00 0.00 H new ATOM 1183 N PHE A 76 5.145 34.037 -5.709 1.00 0.00 N ATOM 1184 CA PHE A 76 3.766 34.447 -5.321 1.00 0.00 C ATOM 1185 C PHE A 76 2.998 33.259 -4.738 1.00 0.00 C ATOM 1186 O PHE A 76 3.260 32.115 -5.059 1.00 0.00 O ATOM 1187 CB PHE A 76 3.034 34.945 -6.568 1.00 0.00 C ATOM 1188 CG PHE A 76 3.792 36.109 -7.160 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.823 37.336 -6.488 1.00 0.00 C ATOM 1190 CD2 PHE A 76 4.465 35.959 -8.378 1.00 0.00 C ATOM 1191 CE1 PHE A 76 4.527 38.415 -7.034 1.00 0.00 C ATOM 1192 CE2 PHE A 76 5.170 37.039 -8.924 1.00 0.00 C ATOM 1193 CZ PHE A 76 5.200 38.266 -8.253 1.00 0.00 C ATOM 0 H PHE A 76 5.233 33.677 -6.659 1.00 0.00 H new ATOM 0 HA PHE A 76 3.826 35.233 -4.569 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.950 34.141 -7.299 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.020 35.250 -6.311 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.304 37.450 -5.548 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.441 35.012 -8.896 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.551 39.362 -6.516 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.691 36.924 -9.863 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.743 39.099 -8.675 1.00 0.00 H new ATOM 1203 N ASN A 77 2.035 33.527 -3.897 1.00 0.00 N ATOM 1204 CA ASN A 77 1.225 32.425 -3.307 1.00 0.00 C ATOM 1205 C ASN A 77 -0.204 32.527 -3.849 1.00 0.00 C ATOM 1206 O ASN A 77 -0.736 33.607 -4.006 1.00 0.00 O ATOM 1207 CB ASN A 77 1.207 32.557 -1.782 1.00 0.00 C ATOM 1208 CG ASN A 77 2.591 32.986 -1.291 1.00 0.00 C ATOM 1209 OD1 ASN A 77 2.893 34.255 -1.256 1.00 0.00 O flip ATOM 1210 ND2 ASN A 77 3.406 32.159 -0.933 1.00 0.00 N flip ATOM 0 H ASN A 77 1.775 34.465 -3.593 1.00 0.00 H new ATOM 0 HA ASN A 77 1.658 31.461 -3.573 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.459 33.289 -1.478 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.926 31.607 -1.327 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.171 31.167 -0.960 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.325 32.457 -0.606 1.00 0.00 H new ATOM 1217 N PHE A 78 -0.831 31.420 -4.141 1.00 0.00 N ATOM 1218 CA PHE A 78 -2.222 31.478 -4.679 1.00 0.00 C ATOM 1219 C PHE A 78 -3.115 30.487 -3.924 1.00 0.00 C ATOM 1220 O PHE A 78 -2.796 29.320 -3.806 1.00 0.00 O ATOM 1221 CB PHE A 78 -2.209 31.101 -6.162 1.00 0.00 C ATOM 1222 CG PHE A 78 -1.562 32.202 -6.973 1.00 0.00 C ATOM 1223 CD1 PHE A 78 -2.341 33.254 -7.472 1.00 0.00 C ATOM 1224 CD2 PHE A 78 -0.187 32.164 -7.234 1.00 0.00 C ATOM 1225 CE1 PHE A 78 -1.744 34.268 -8.231 1.00 0.00 C ATOM 1226 CE2 PHE A 78 0.409 33.176 -7.996 1.00 0.00 C ATOM 1227 CZ PHE A 78 -0.369 34.229 -8.495 1.00 0.00 C ATOM 0 H PHE A 78 -0.444 30.483 -4.032 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.610 32.489 -4.553 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.665 30.167 -6.303 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.228 30.932 -6.511 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.402 33.283 -7.271 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.414 31.354 -6.848 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.344 35.081 -8.613 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.469 33.145 -8.199 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.091 35.010 -9.083 1.00 0.00 H new ATOM 1237 N ARG A 79 -4.239 30.933 -3.423 1.00 0.00 N ATOM 1238 CA ARG A 79 -5.147 29.998 -2.694 1.00 0.00 C ATOM 1239 C ARG A 79 -6.426 29.817 -3.513 1.00 0.00 C ATOM 1240 O ARG A 79 -6.888 30.729 -4.170 1.00 0.00 O ATOM 1241 CB ARG A 79 -5.484 30.560 -1.311 1.00 0.00 C ATOM 1242 CG ARG A 79 -6.354 29.555 -0.555 1.00 0.00 C ATOM 1243 CD ARG A 79 -6.793 30.160 0.779 1.00 0.00 C ATOM 1244 NE ARG A 79 -6.988 29.071 1.776 1.00 0.00 N ATOM 1245 CZ ARG A 79 -6.773 29.300 3.043 1.00 0.00 C ATOM 1246 NH1 ARG A 79 -5.593 29.684 3.446 1.00 0.00 N ATOM 1247 NH2 ARG A 79 -7.740 29.144 3.907 1.00 0.00 N ATOM 0 H ARG A 79 -4.565 31.897 -3.487 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.654 29.035 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.569 30.758 -0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.009 31.510 -1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.227 29.293 -1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.797 28.634 -0.383 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.042 30.865 1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.719 30.720 0.650 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.290 28.146 1.469 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.838 29.805 2.771 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.425 29.863 4.436 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.662 28.843 3.592 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.573 29.323 4.897 1.00 0.00 H new ATOM 1261 N PHE A 80 -6.979 28.635 -3.512 1.00 0.00 N ATOM 1262 CA PHE A 80 -8.201 28.384 -4.329 1.00 0.00 C ATOM 1263 C PHE A 80 -9.341 27.820 -3.479 1.00 0.00 C ATOM 1264 O PHE A 80 -9.131 27.037 -2.578 1.00 0.00 O ATOM 1265 CB PHE A 80 -7.848 27.358 -5.402 1.00 0.00 C ATOM 1266 CG PHE A 80 -7.159 28.059 -6.546 1.00 0.00 C ATOM 1267 CD1 PHE A 80 -5.853 28.536 -6.385 1.00 0.00 C ATOM 1268 CD2 PHE A 80 -7.825 28.237 -7.763 1.00 0.00 C ATOM 1269 CE1 PHE A 80 -5.213 29.192 -7.442 1.00 0.00 C ATOM 1270 CE2 PHE A 80 -7.185 28.893 -8.819 1.00 0.00 C ATOM 1271 CZ PHE A 80 -5.878 29.370 -8.659 1.00 0.00 C ATOM 0 H PHE A 80 -6.638 27.833 -2.982 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.532 29.328 -4.762 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -7.198 26.588 -4.987 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.750 26.858 -5.755 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.339 28.398 -5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.832 27.868 -7.887 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.206 29.561 -7.318 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.699 29.032 -9.759 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.384 29.875 -9.476 1.00 0.00 H new ATOM 1281 N MET A 81 -10.554 28.195 -3.784 1.00 0.00 N ATOM 1282 CA MET A 81 -11.720 27.660 -3.022 1.00 0.00 C ATOM 1283 C MET A 81 -12.724 27.082 -4.021 1.00 0.00 C ATOM 1284 O MET A 81 -13.122 27.738 -4.964 1.00 0.00 O ATOM 1285 CB MET A 81 -12.373 28.776 -2.204 1.00 0.00 C ATOM 1286 CG MET A 81 -13.737 28.301 -1.697 1.00 0.00 C ATOM 1287 SD MET A 81 -14.380 29.488 -0.492 1.00 0.00 S ATOM 1288 CE MET A 81 -14.526 28.340 0.899 1.00 0.00 C ATOM 0 H MET A 81 -10.789 28.850 -4.530 1.00 0.00 H new ATOM 0 HA MET A 81 -11.390 26.882 -2.333 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.734 29.048 -1.363 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.491 29.670 -2.816 1.00 0.00 H new ATOM 0 HG2 MET A 81 -14.432 28.201 -2.531 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.644 27.316 -1.239 1.00 0.00 H new ATOM 0 HE1 MET A 81 -15.576 28.225 1.167 1.00 0.00 H new ATOM 0 HE2 MET A 81 -14.115 27.371 0.616 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.974 28.732 1.754 1.00 0.00 H new ATOM 1298 N SER A 82 -13.114 25.848 -3.840 1.00 0.00 N ATOM 1299 CA SER A 82 -14.062 25.222 -4.801 1.00 0.00 C ATOM 1300 C SER A 82 -15.488 25.687 -4.513 1.00 0.00 C ATOM 1301 O SER A 82 -15.847 25.943 -3.378 1.00 0.00 O ATOM 1302 CB SER A 82 -13.995 23.701 -4.663 1.00 0.00 C ATOM 1303 OG SER A 82 -14.776 23.294 -3.549 1.00 0.00 O ATOM 0 H SER A 82 -12.817 25.249 -3.069 1.00 0.00 H new ATOM 0 HA SER A 82 -13.785 25.517 -5.813 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.363 23.226 -5.572 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.961 23.382 -4.532 1.00 0.00 H new ATOM 0 HG SER A 82 -15.695 23.120 -3.840 1.00 0.00 H new ATOM 1309 N LYS A 83 -16.305 25.775 -5.527 1.00 0.00 N ATOM 1310 CA LYS A 83 -17.717 26.206 -5.318 1.00 0.00 C ATOM 1311 C LYS A 83 -18.310 25.434 -4.138 1.00 0.00 C ATOM 1312 O LYS A 83 -18.936 26.000 -3.263 1.00 0.00 O ATOM 1313 CB LYS A 83 -18.535 25.918 -6.579 1.00 0.00 C ATOM 1314 CG LYS A 83 -18.072 26.839 -7.711 1.00 0.00 C ATOM 1315 CD LYS A 83 -19.032 26.712 -8.896 1.00 0.00 C ATOM 1316 CE LYS A 83 -18.613 27.688 -9.997 1.00 0.00 C ATOM 1317 NZ LYS A 83 -18.504 26.958 -11.293 1.00 0.00 N ATOM 0 H LYS A 83 -16.055 25.566 -6.494 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.744 27.275 -5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.415 24.875 -6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.595 26.073 -6.381 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -18.040 27.872 -7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -17.060 26.575 -8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -19.023 25.691 -9.277 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -20.052 26.924 -8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -19.343 28.493 -10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -17.658 28.149 -9.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.219 27.621 -12.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -17.792 26.205 -11.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.425 26.539 -11.534 1.00 0.00 H new ATOM 1331 N GLY A 84 -18.112 24.143 -4.104 1.00 0.00 N ATOM 1332 CA GLY A 84 -18.659 23.332 -2.978 1.00 0.00 C ATOM 1333 C GLY A 84 -18.072 23.833 -1.656 1.00 0.00 C ATOM 1334 O GLY A 84 -18.489 23.432 -0.588 1.00 0.00 O ATOM 0 H GLY A 84 -17.595 23.615 -4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.746 23.406 -2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.414 22.280 -3.121 1.00 0.00 H new ATOM 1338 N GLY A 85 -17.111 24.713 -1.719 1.00 0.00 N ATOM 1339 CA GLY A 85 -16.503 25.247 -0.469 1.00 0.00 C ATOM 1340 C GLY A 85 -15.203 24.499 -0.168 1.00 0.00 C ATOM 1341 O GLY A 85 -14.853 24.284 0.975 1.00 0.00 O ATOM 0 H GLY A 85 -16.720 25.086 -2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.304 26.313 -0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.199 25.135 0.362 1.00 0.00 H new ATOM 1345 N MET A 86 -14.479 24.106 -1.180 1.00 0.00 N ATOM 1346 CA MET A 86 -13.198 23.378 -0.932 1.00 0.00 C ATOM 1347 C MET A 86 -12.029 24.337 -1.149 1.00 0.00 C ATOM 1348 O MET A 86 -11.736 24.735 -2.257 1.00 0.00 O ATOM 1349 CB MET A 86 -13.078 22.191 -1.891 1.00 0.00 C ATOM 1350 CG MET A 86 -14.333 21.323 -1.784 1.00 0.00 C ATOM 1351 SD MET A 86 -14.215 20.272 -0.315 1.00 0.00 S ATOM 1352 CE MET A 86 -12.704 19.395 -0.786 1.00 0.00 C ATOM 0 H MET A 86 -14.715 24.255 -2.161 1.00 0.00 H new ATOM 0 HA MET A 86 -13.183 23.006 0.092 1.00 0.00 H new ATOM 0 HB2 MET A 86 -12.955 22.547 -2.914 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.193 21.602 -1.649 1.00 0.00 H new ATOM 0 HG2 MET A 86 -15.220 21.953 -1.723 1.00 0.00 H new ATOM 0 HG3 MET A 86 -14.440 20.708 -2.677 1.00 0.00 H new ATOM 0 HE1 MET A 86 -12.880 18.320 -0.747 1.00 0.00 H new ATOM 0 HE2 MET A 86 -12.419 19.679 -1.799 1.00 0.00 H new ATOM 0 HE3 MET A 86 -11.901 19.657 -0.096 1.00 0.00 H new ATOM 1362 N ARG A 87 -11.365 24.724 -0.097 1.00 0.00 N ATOM 1363 CA ARG A 87 -10.228 25.673 -0.245 1.00 0.00 C ATOM 1364 C ARG A 87 -8.912 24.916 -0.424 1.00 0.00 C ATOM 1365 O ARG A 87 -8.666 23.908 0.208 1.00 0.00 O ATOM 1366 CB ARG A 87 -10.140 26.554 1.002 1.00 0.00 C ATOM 1367 CG ARG A 87 -11.463 27.300 1.193 1.00 0.00 C ATOM 1368 CD ARG A 87 -11.346 28.240 2.394 1.00 0.00 C ATOM 1369 NE ARG A 87 -11.071 27.444 3.623 1.00 0.00 N ATOM 1370 CZ ARG A 87 -12.061 26.987 4.341 1.00 0.00 C ATOM 1371 NH1 ARG A 87 -12.973 27.804 4.791 1.00 0.00 N ATOM 1372 NH2 ARG A 87 -12.138 25.712 4.609 1.00 0.00 N ATOM 0 H ARG A 87 -11.560 24.425 0.858 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.399 26.289 -1.128 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.925 25.942 1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.320 27.265 0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.706 27.868 0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.275 26.590 1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.546 28.961 2.228 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.268 28.809 2.515 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.109 27.256 3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -12.913 28.801 4.582 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -13.746 27.446 5.352 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.425 25.073 4.258 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.911 25.355 5.170 1.00 0.00 H new ATOM 1386 N ASN A 88 -8.055 25.421 -1.268 1.00 0.00 N ATOM 1387 CA ASN A 88 -6.734 24.775 -1.486 1.00 0.00 C ATOM 1388 C ASN A 88 -5.673 25.875 -1.508 1.00 0.00 C ATOM 1389 O ASN A 88 -5.892 26.944 -2.040 1.00 0.00 O ATOM 1390 CB ASN A 88 -6.734 24.018 -2.816 1.00 0.00 C ATOM 1391 CG ASN A 88 -7.766 22.890 -2.761 1.00 0.00 C ATOM 1392 OD1 ASN A 88 -8.532 22.705 -3.686 1.00 0.00 O ATOM 1393 ND2 ASN A 88 -7.820 22.123 -1.706 1.00 0.00 N ATOM 0 H ASN A 88 -8.217 26.263 -1.821 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.524 24.062 -0.689 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.967 24.699 -3.634 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.743 23.609 -3.014 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.505 21.369 -1.658 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.177 22.278 -0.929 1.00 0.00 H new ATOM 1400 N VAL A 89 -4.536 25.639 -0.919 1.00 0.00 N ATOM 1401 CA VAL A 89 -3.489 26.698 -0.901 1.00 0.00 C ATOM 1402 C VAL A 89 -2.216 26.198 -1.580 1.00 0.00 C ATOM 1403 O VAL A 89 -1.775 25.087 -1.361 1.00 0.00 O ATOM 1404 CB VAL A 89 -3.179 27.078 0.548 1.00 0.00 C ATOM 1405 CG1 VAL A 89 -2.407 28.400 0.574 1.00 0.00 C ATOM 1406 CG2 VAL A 89 -4.487 27.238 1.324 1.00 0.00 C ATOM 0 H VAL A 89 -4.286 24.767 -0.453 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.857 27.570 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.576 26.295 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.186 28.672 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.475 28.288 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.010 29.183 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.267 27.509 2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.089 28.021 0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.039 26.298 1.305 1.00 0.00 H new ATOM 1416 N PHE A 90 -1.621 27.022 -2.394 1.00 0.00 N ATOM 1417 CA PHE A 90 -0.368 26.619 -3.086 1.00 0.00 C ATOM 1418 C PHE A 90 0.705 27.669 -2.807 1.00 0.00 C ATOM 1419 O PHE A 90 0.533 28.837 -3.094 1.00 0.00 O ATOM 1420 CB PHE A 90 -0.621 26.526 -4.591 1.00 0.00 C ATOM 1421 CG PHE A 90 -1.770 25.581 -4.850 1.00 0.00 C ATOM 1422 CD1 PHE A 90 -1.728 24.273 -4.352 1.00 0.00 C ATOM 1423 CD2 PHE A 90 -2.881 26.014 -5.586 1.00 0.00 C ATOM 1424 CE1 PHE A 90 -2.795 23.398 -4.590 1.00 0.00 C ATOM 1425 CE2 PHE A 90 -3.947 25.139 -5.824 1.00 0.00 C ATOM 1426 CZ PHE A 90 -3.904 23.831 -5.326 1.00 0.00 C ATOM 0 H PHE A 90 -1.951 27.963 -2.611 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.037 25.646 -2.722 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.850 27.513 -4.994 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.276 26.174 -5.100 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.872 23.939 -3.784 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.915 27.023 -5.970 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.762 22.389 -4.206 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.803 25.473 -6.392 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.727 23.156 -5.510 1.00 0.00 H new ATOM 1436 N ASP A 91 1.810 27.268 -2.243 1.00 0.00 N ATOM 1437 CA ASP A 91 2.886 28.252 -1.942 1.00 0.00 C ATOM 1438 C ASP A 91 3.943 28.210 -3.043 1.00 0.00 C ATOM 1439 O ASP A 91 4.212 27.177 -3.625 1.00 0.00 O ATOM 1440 CB ASP A 91 3.533 27.908 -0.599 1.00 0.00 C ATOM 1441 CG ASP A 91 4.337 29.111 -0.098 1.00 0.00 C ATOM 1442 OD1 ASP A 91 5.502 29.205 -0.446 1.00 0.00 O ATOM 1443 OD2 ASP A 91 3.773 29.915 0.624 1.00 0.00 O ATOM 0 H ASP A 91 2.014 26.304 -1.978 1.00 0.00 H new ATOM 0 HA ASP A 91 2.456 29.252 -1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.767 27.641 0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.185 27.041 -0.708 1.00 0.00 H new ATOM 1448 N GLU A 92 4.550 29.327 -3.329 1.00 0.00 N ATOM 1449 CA GLU A 92 5.597 29.362 -4.384 1.00 0.00 C ATOM 1450 C GLU A 92 5.051 28.769 -5.683 1.00 0.00 C ATOM 1451 O GLU A 92 5.643 27.880 -6.262 1.00 0.00 O ATOM 1452 CB GLU A 92 6.806 28.545 -3.925 1.00 0.00 C ATOM 1453 CG GLU A 92 7.753 29.442 -3.126 1.00 0.00 C ATOM 1454 CD GLU A 92 8.785 28.576 -2.401 1.00 0.00 C ATOM 1455 OE1 GLU A 92 8.890 27.408 -2.738 1.00 0.00 O ATOM 1456 OE2 GLU A 92 9.452 29.096 -1.522 1.00 0.00 O ATOM 0 H GLU A 92 4.364 30.221 -2.875 1.00 0.00 H new ATOM 0 HA GLU A 92 5.893 30.396 -4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.479 27.705 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.325 28.127 -4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.255 30.144 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.189 30.034 -2.406 1.00 0.00 H new ATOM 1463 N VAL A 93 3.930 29.249 -6.154 1.00 0.00 N ATOM 1464 CA VAL A 93 3.366 28.704 -7.421 1.00 0.00 C ATOM 1465 C VAL A 93 4.044 29.385 -8.610 1.00 0.00 C ATOM 1466 O VAL A 93 4.259 28.784 -9.644 1.00 0.00 O ATOM 1467 CB VAL A 93 1.861 28.978 -7.468 1.00 0.00 C ATOM 1468 CG1 VAL A 93 1.341 28.732 -8.886 1.00 0.00 C ATOM 1469 CG2 VAL A 93 1.140 28.048 -6.491 1.00 0.00 C ATOM 0 H VAL A 93 3.384 29.992 -5.717 1.00 0.00 H new ATOM 0 HA VAL A 93 3.541 27.629 -7.466 1.00 0.00 H new ATOM 0 HB VAL A 93 1.673 30.014 -7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.269 28.927 -8.919 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.853 29.397 -9.582 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.530 27.696 -9.168 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.068 28.244 -6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.328 27.011 -6.770 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.509 28.225 -5.481 1.00 0.00 H new ATOM 1479 N ILE A 94 4.382 30.636 -8.470 1.00 0.00 N ATOM 1480 CA ILE A 94 5.048 31.357 -9.589 1.00 0.00 C ATOM 1481 C ILE A 94 6.198 32.195 -9.031 1.00 0.00 C ATOM 1482 O ILE A 94 6.015 32.998 -8.138 1.00 0.00 O ATOM 1483 CB ILE A 94 4.032 32.269 -10.281 1.00 0.00 C ATOM 1484 CG1 ILE A 94 2.970 31.411 -10.975 1.00 0.00 C ATOM 1485 CG2 ILE A 94 4.745 33.136 -11.319 1.00 0.00 C ATOM 1486 CD1 ILE A 94 1.938 32.319 -11.648 1.00 0.00 C ATOM 0 H ILE A 94 4.226 31.190 -7.628 1.00 0.00 H new ATOM 0 HA ILE A 94 5.438 30.640 -10.311 1.00 0.00 H new ATOM 0 HB ILE A 94 3.556 32.911 -9.540 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.438 30.763 -11.716 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.480 30.762 -10.249 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.020 33.785 -11.811 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.502 33.746 -10.826 1.00 0.00 H new ATOM 0 HG23 ILE A 94 5.222 32.496 -12.062 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.183 31.708 -12.142 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.461 32.948 -10.896 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.434 32.949 -12.386 1.00 0.00 H new ATOM 1498 N PRO A 95 7.410 31.996 -9.567 1.00 0.00 N ATOM 1499 CA PRO A 95 8.600 32.727 -9.120 1.00 0.00 C ATOM 1500 C PRO A 95 8.539 34.207 -9.506 1.00 0.00 C ATOM 1501 O PRO A 95 7.767 34.607 -10.355 1.00 0.00 O ATOM 1502 CB PRO A 95 9.746 32.034 -9.855 1.00 0.00 C ATOM 1503 CG PRO A 95 9.107 31.436 -11.063 1.00 0.00 C ATOM 1504 CD PRO A 95 7.717 31.044 -10.650 1.00 0.00 C ATOM 0 HA PRO A 95 8.706 32.712 -8.035 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.528 32.742 -10.129 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.212 31.270 -9.233 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.082 32.152 -11.885 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.669 30.569 -11.412 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.011 31.131 -11.476 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.675 30.011 -10.303 1.00 0.00 H new ATOM 1512 N THR A 96 9.343 35.020 -8.880 1.00 0.00 N ATOM 1513 CA THR A 96 9.334 36.475 -9.195 1.00 0.00 C ATOM 1514 C THR A 96 9.506 36.686 -10.701 1.00 0.00 C ATOM 1515 O THR A 96 8.919 37.579 -11.279 1.00 0.00 O ATOM 1516 CB THR A 96 10.483 37.161 -8.452 1.00 0.00 C ATOM 1517 OG1 THR A 96 10.574 36.633 -7.137 1.00 0.00 O ATOM 1518 CG2 THR A 96 10.221 38.666 -8.384 1.00 0.00 C ATOM 0 H THR A 96 10.009 34.738 -8.161 1.00 0.00 H new ATOM 0 HA THR A 96 8.382 36.903 -8.881 1.00 0.00 H new ATOM 0 HB THR A 96 11.419 36.982 -8.981 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.310 37.070 -6.659 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.039 39.154 -7.855 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.150 39.069 -9.394 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.286 38.849 -7.854 1.00 0.00 H new ATOM 1526 N ALA A 97 10.309 35.882 -11.344 1.00 0.00 N ATOM 1527 CA ALA A 97 10.511 36.062 -12.810 1.00 0.00 C ATOM 1528 C ALA A 97 9.612 35.091 -13.578 1.00 0.00 C ATOM 1529 O ALA A 97 9.938 33.933 -13.751 1.00 0.00 O ATOM 1530 CB ALA A 97 11.975 35.795 -13.163 1.00 0.00 C ATOM 0 H ALA A 97 10.830 35.114 -10.921 1.00 0.00 H new ATOM 0 HA ALA A 97 10.254 37.085 -13.086 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.121 35.927 -14.235 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.613 36.493 -12.621 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.236 34.774 -12.884 1.00 0.00 H new ATOM 1536 N PHE A 98 8.484 35.551 -14.045 1.00 0.00 N ATOM 1537 CA PHE A 98 7.569 34.654 -14.802 1.00 0.00 C ATOM 1538 C PHE A 98 7.616 35.018 -16.288 1.00 0.00 C ATOM 1539 O PHE A 98 7.782 36.166 -16.650 1.00 0.00 O ATOM 1540 CB PHE A 98 6.144 34.826 -14.279 1.00 0.00 C ATOM 1541 CG PHE A 98 5.777 36.290 -14.287 1.00 0.00 C ATOM 1542 CD1 PHE A 98 5.256 36.877 -15.447 1.00 0.00 C ATOM 1543 CD2 PHE A 98 5.959 37.064 -13.134 1.00 0.00 C ATOM 1544 CE1 PHE A 98 4.916 38.236 -15.453 1.00 0.00 C ATOM 1545 CE2 PHE A 98 5.620 38.422 -13.140 1.00 0.00 C ATOM 1546 CZ PHE A 98 5.098 39.007 -14.300 1.00 0.00 C ATOM 0 H PHE A 98 8.157 36.511 -13.934 1.00 0.00 H new ATOM 0 HA PHE A 98 7.881 33.618 -14.672 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.447 34.262 -14.899 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.066 34.426 -13.268 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.116 36.282 -16.337 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.361 36.612 -12.239 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.514 38.688 -16.347 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.761 39.018 -12.251 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.836 40.055 -14.305 1.00 0.00 H new ATOM 1556 N SER A 99 7.471 34.050 -17.152 1.00 0.00 N ATOM 1557 CA SER A 99 7.511 34.346 -18.611 1.00 0.00 C ATOM 1558 C SER A 99 6.140 34.059 -19.230 1.00 0.00 C ATOM 1559 O SER A 99 5.661 32.942 -19.211 1.00 0.00 O ATOM 1560 CB SER A 99 8.569 33.470 -19.285 1.00 0.00 C ATOM 1561 OG SER A 99 9.825 34.133 -19.251 1.00 0.00 O ATOM 0 H SER A 99 7.327 33.070 -16.911 1.00 0.00 H new ATOM 0 HA SER A 99 7.764 35.396 -18.759 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.639 32.509 -18.775 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.282 33.264 -20.316 1.00 0.00 H new ATOM 0 HG SER A 99 10.503 33.571 -19.681 1.00 0.00 H new ATOM 1567 N ILE A 100 5.509 35.059 -19.778 1.00 0.00 N ATOM 1568 CA ILE A 100 4.171 34.851 -20.401 1.00 0.00 C ATOM 1569 C ILE A 100 4.266 33.770 -21.479 1.00 0.00 C ATOM 1570 O ILE A 100 5.211 33.718 -22.240 1.00 0.00 O ATOM 1571 CB ILE A 100 3.699 36.162 -21.033 1.00 0.00 C ATOM 1572 CG1 ILE A 100 3.287 37.141 -19.931 1.00 0.00 C ATOM 1573 CG2 ILE A 100 2.499 35.887 -21.943 1.00 0.00 C ATOM 1574 CD1 ILE A 100 3.863 38.525 -20.238 1.00 0.00 C ATOM 0 H ILE A 100 5.863 36.015 -19.822 1.00 0.00 H new ATOM 0 HA ILE A 100 3.460 34.535 -19.637 1.00 0.00 H new ATOM 0 HB ILE A 100 4.510 36.594 -21.620 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.200 37.194 -19.864 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.649 36.791 -18.964 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.162 36.821 -22.393 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.790 35.190 -22.728 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.689 35.455 -21.356 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.570 39.223 -19.454 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.950 38.465 -20.283 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.479 38.874 -21.197 1.00 0.00 H new ATOM 1586 N GLY A 101 3.287 32.909 -21.556 1.00 0.00 N ATOM 1587 CA GLY A 101 3.315 31.837 -22.589 1.00 0.00 C ATOM 1588 C GLY A 101 3.783 30.522 -21.963 1.00 0.00 C ATOM 1589 O GLY A 101 3.975 29.535 -22.645 1.00 0.00 O ATOM 0 H GLY A 101 2.469 32.903 -20.947 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.322 31.711 -23.022 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.983 32.121 -23.402 1.00 0.00 H new ATOM 1593 N LYS A 102 3.969 30.493 -20.671 1.00 0.00 N ATOM 1594 CA LYS A 102 4.424 29.234 -20.017 1.00 0.00 C ATOM 1595 C LYS A 102 3.433 28.846 -18.918 1.00 0.00 C ATOM 1596 O LYS A 102 2.890 29.691 -18.234 1.00 0.00 O ATOM 1597 CB LYS A 102 5.811 29.447 -19.407 1.00 0.00 C ATOM 1598 CG LYS A 102 6.416 28.094 -19.030 1.00 0.00 C ATOM 1599 CD LYS A 102 7.714 28.315 -18.251 1.00 0.00 C ATOM 1600 CE LYS A 102 8.288 26.963 -17.825 1.00 0.00 C ATOM 1601 NZ LYS A 102 9.769 26.974 -18.005 1.00 0.00 N ATOM 0 H LYS A 102 3.826 31.284 -20.043 1.00 0.00 H new ATOM 0 HA LYS A 102 4.475 28.436 -20.758 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.458 29.961 -20.118 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.738 30.083 -18.525 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.710 27.523 -18.427 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.614 27.509 -19.928 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.435 28.850 -18.869 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.524 28.934 -17.374 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.039 26.762 -16.783 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.844 26.164 -18.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.161 26.055 -17.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.996 27.148 -19.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.184 27.727 -17.420 1.00 0.00 H new ATOM 1615 N THR A 103 3.191 27.574 -18.741 1.00 0.00 N ATOM 1616 CA THR A 103 2.232 27.146 -17.687 1.00 0.00 C ATOM 1617 C THR A 103 2.927 27.217 -16.326 1.00 0.00 C ATOM 1618 O THR A 103 4.140 27.185 -16.250 1.00 0.00 O ATOM 1619 CB THR A 103 1.796 25.704 -17.962 1.00 0.00 C ATOM 1620 OG1 THR A 103 1.589 25.533 -19.357 1.00 0.00 O ATOM 1621 CG2 THR A 103 0.497 25.405 -17.213 1.00 0.00 C ATOM 0 H THR A 103 3.615 26.818 -19.279 1.00 0.00 H new ATOM 0 HA THR A 103 1.358 27.798 -17.689 1.00 0.00 H new ATOM 0 HB THR A 103 2.573 25.020 -17.620 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.312 24.610 -19.536 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.191 24.378 -17.412 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.656 25.536 -16.143 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.283 26.088 -17.550 1.00 0.00 H new ATOM 1629 N TYR A 104 2.198 27.297 -15.247 1.00 0.00 N ATOM 1630 CA TYR A 104 2.866 27.350 -13.918 1.00 0.00 C ATOM 1631 C TYR A 104 1.987 26.633 -12.891 1.00 0.00 C ATOM 1632 O TYR A 104 1.045 27.194 -12.367 1.00 0.00 O ATOM 1633 CB TYR A 104 3.070 28.806 -13.503 1.00 0.00 C ATOM 1634 CG TYR A 104 4.313 29.339 -14.172 1.00 0.00 C ATOM 1635 CD1 TYR A 104 5.570 28.858 -13.789 1.00 0.00 C ATOM 1636 CD2 TYR A 104 4.208 30.306 -15.178 1.00 0.00 C ATOM 1637 CE1 TYR A 104 6.726 29.349 -14.412 1.00 0.00 C ATOM 1638 CE2 TYR A 104 5.362 30.796 -15.801 1.00 0.00 C ATOM 1639 CZ TYR A 104 6.621 30.317 -15.417 1.00 0.00 C ATOM 1640 OH TYR A 104 7.759 30.800 -16.030 1.00 0.00 O ATOM 0 H TYR A 104 1.179 27.328 -15.228 1.00 0.00 H new ATOM 0 HA TYR A 104 3.838 26.860 -13.973 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.204 29.403 -13.788 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.165 28.879 -12.420 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.650 28.110 -13.015 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.237 30.674 -15.474 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.697 28.980 -14.116 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.282 31.543 -16.577 1.00 0.00 H new ATOM 0 HH TYR A 104 7.550 31.057 -16.952 1.00 0.00 H new ATOM 1650 N LYS A 105 2.278 25.394 -12.609 1.00 0.00 N ATOM 1651 CA LYS A 105 1.447 24.639 -11.628 1.00 0.00 C ATOM 1652 C LYS A 105 2.170 24.555 -10.283 1.00 0.00 C ATOM 1653 O LYS A 105 3.376 24.686 -10.205 1.00 0.00 O ATOM 1654 CB LYS A 105 1.192 23.225 -12.158 1.00 0.00 C ATOM 1655 CG LYS A 105 2.491 22.650 -12.725 1.00 0.00 C ATOM 1656 CD LYS A 105 2.448 21.122 -12.647 1.00 0.00 C ATOM 1657 CE LYS A 105 2.758 20.529 -14.024 1.00 0.00 C ATOM 1658 NZ LYS A 105 4.198 20.151 -14.088 1.00 0.00 N ATOM 0 H LYS A 105 3.054 24.871 -13.014 1.00 0.00 H new ATOM 0 HA LYS A 105 0.498 25.157 -11.491 1.00 0.00 H new ATOM 0 HB2 LYS A 105 0.819 22.587 -11.357 1.00 0.00 H new ATOM 0 HB3 LYS A 105 0.424 23.248 -12.931 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.622 22.969 -13.759 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.345 23.030 -12.164 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.172 20.765 -11.915 1.00 0.00 H new ATOM 0 HD3 LYS A 105 1.465 20.792 -12.311 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.133 19.655 -14.205 1.00 0.00 H new ATOM 0 HE3 LYS A 105 2.526 21.253 -14.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.410 19.748 -15.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.786 20.995 -13.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.405 19.446 -13.352 1.00 0.00 H new ATOM 1672 N PRO A 106 1.405 24.330 -9.204 1.00 0.00 N ATOM 1673 CA PRO A 106 1.955 24.224 -7.846 1.00 0.00 C ATOM 1674 C PRO A 106 2.755 22.932 -7.655 1.00 0.00 C ATOM 1675 O PRO A 106 2.800 22.084 -8.524 1.00 0.00 O ATOM 1676 CB PRO A 106 0.711 24.201 -6.958 1.00 0.00 C ATOM 1677 CG PRO A 106 -0.373 23.680 -7.839 1.00 0.00 C ATOM 1678 CD PRO A 106 -0.059 24.162 -9.227 1.00 0.00 C ATOM 0 HA PRO A 106 2.644 25.038 -7.620 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.857 23.560 -6.088 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.473 25.197 -6.584 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.411 22.591 -7.805 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.347 24.044 -7.513 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.369 23.441 -9.983 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.568 25.099 -9.452 1.00 0.00 H new