USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=21 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 180:sc= 0.449 USER MOD Set 1.2: A 104 TYR OH : rot 148:sc= 0.493 USER MOD Set 2.1: A 82 SER OG : rot 112:sc= -4.33! USER MOD Set 2.2: A 86 MET CE :methyl -158:sc= -4.72! (180deg=-6.72!) USER MOD Set 3.1: A 48 GLN :FLIP amide:sc= -1.27! F(o=-1,f=-0.32!) USER MOD Set 3.2: A 68 SER OG : rot 164:sc= 0.952 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.52! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.357 K(o=0.36,f=-0.27) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -133:sc= 1.07 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+ 142:sc= -0.116 (180deg=-0.754) USER MOD Single : A 34 TYR OH : rot 165:sc= -1.43 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.287 USER MOD Single : A 49 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.12) 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+ 159:sc= 0 (180deg=-0.51) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0287 X(o=-0.029,f=-0.03) 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= 0.00827 K(o=0.0083,f=-1.5) USER MOD Single : A 81 MET CE :methyl -138:sc= -0.609 (180deg=-3.42!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.17) USER MOD Single : A 96 THR OG1 : rot 180:sc= -4.48! 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+ -164:sc= 0 (180deg=-0.165) USER MOD ----------------------------------------------------------------- ATOM 175 N VAL A 13 -7.308 16.576 -7.378 1.00 0.00 N ATOM 176 CA VAL A 13 -7.600 17.936 -7.914 1.00 0.00 C ATOM 177 C VAL A 13 -6.431 18.396 -8.787 1.00 0.00 C ATOM 178 O VAL A 13 -5.290 18.371 -8.372 1.00 0.00 O ATOM 179 CB VAL A 13 -7.783 18.913 -6.752 1.00 0.00 C ATOM 180 CG1 VAL A 13 -8.333 20.238 -7.283 1.00 0.00 C ATOM 181 CG2 VAL A 13 -8.764 18.321 -5.740 1.00 0.00 C ATOM 0 HA VAL A 13 -8.512 17.906 -8.510 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.822 19.087 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.464 20.935 -6.456 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.633 20.659 -8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.294 20.065 -7.767 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.895 19.016 -4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.725 18.147 -6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.372 17.377 -5.363 1.00 0.00 H new ATOM 191 N GLN A 14 -6.702 18.818 -9.991 1.00 0.00 N ATOM 192 CA GLN A 14 -5.596 19.276 -10.878 1.00 0.00 C ATOM 193 C GLN A 14 -5.684 20.793 -11.060 1.00 0.00 C ATOM 194 O GLN A 14 -6.668 21.313 -11.547 1.00 0.00 O ATOM 195 CB GLN A 14 -5.715 18.585 -12.238 1.00 0.00 C ATOM 196 CG GLN A 14 -5.267 17.127 -12.114 1.00 0.00 C ATOM 197 CD GLN A 14 -5.504 16.407 -13.443 1.00 0.00 C ATOM 198 OE1 GLN A 14 -5.796 17.032 -14.444 1.00 0.00 O ATOM 199 NE2 GLN A 14 -5.389 15.107 -13.497 1.00 0.00 N ATOM 0 H GLN A 14 -7.636 18.866 -10.398 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.637 19.022 -10.427 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.745 18.631 -12.592 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.102 19.103 -12.975 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.211 17.081 -11.846 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.820 16.632 -11.316 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.144 14.581 -12.658 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.544 14.617 -14.378 1.00 0.00 H new ATOM 208 N VAL A 15 -4.662 21.508 -10.672 1.00 0.00 N ATOM 209 CA VAL A 15 -4.692 22.991 -10.825 1.00 0.00 C ATOM 210 C VAL A 15 -3.452 23.456 -11.593 1.00 0.00 C ATOM 211 O VAL A 15 -2.348 23.019 -11.336 1.00 0.00 O ATOM 212 CB VAL A 15 -4.714 23.648 -9.444 1.00 0.00 C ATOM 213 CG1 VAL A 15 -5.144 25.109 -9.579 1.00 0.00 C ATOM 214 CG2 VAL A 15 -5.698 22.906 -8.538 1.00 0.00 C ATOM 0 H VAL A 15 -3.810 21.130 -10.257 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.587 23.278 -11.378 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.717 23.603 -9.007 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.159 25.576 -8.594 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.439 25.638 -10.221 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.140 25.156 -10.018 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.712 23.376 -7.554 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.696 22.947 -8.974 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.388 21.866 -8.439 1.00 0.00 H new ATOM 224 N THR A 16 -3.632 24.343 -12.534 1.00 0.00 N ATOM 225 CA THR A 16 -2.472 24.846 -13.324 1.00 0.00 C ATOM 226 C THR A 16 -2.652 26.344 -13.589 1.00 0.00 C ATOM 227 O THR A 16 -3.756 26.826 -13.748 1.00 0.00 O ATOM 228 CB THR A 16 -2.399 24.100 -14.658 1.00 0.00 C ATOM 229 OG1 THR A 16 -3.571 24.369 -15.413 1.00 0.00 O ATOM 230 CG2 THR A 16 -2.291 22.596 -14.400 1.00 0.00 C ATOM 0 H THR A 16 -4.535 24.742 -12.790 1.00 0.00 H new ATOM 0 HA THR A 16 -1.551 24.680 -12.765 1.00 0.00 H new ATOM 0 HB THR A 16 -1.523 24.434 -15.213 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.525 23.893 -16.269 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.239 22.066 -15.351 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.391 22.390 -13.820 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.166 22.258 -13.844 1.00 0.00 H new ATOM 238 N PHE A 17 -1.578 27.084 -13.635 1.00 0.00 N ATOM 239 CA PHE A 17 -1.696 28.550 -13.884 1.00 0.00 C ATOM 240 C PHE A 17 -0.949 28.923 -15.164 1.00 0.00 C ATOM 241 O PHE A 17 0.117 28.415 -15.441 1.00 0.00 O ATOM 242 CB PHE A 17 -1.082 29.317 -12.714 1.00 0.00 C ATOM 243 CG PHE A 17 -1.767 28.921 -11.430 1.00 0.00 C ATOM 244 CD1 PHE A 17 -1.655 27.611 -10.952 1.00 0.00 C ATOM 245 CD2 PHE A 17 -2.508 29.867 -10.714 1.00 0.00 C ATOM 246 CE1 PHE A 17 -2.286 27.245 -9.757 1.00 0.00 C ATOM 247 CE2 PHE A 17 -3.137 29.503 -9.518 1.00 0.00 C ATOM 248 CZ PHE A 17 -3.027 28.192 -9.040 1.00 0.00 C ATOM 0 H PHE A 17 -0.626 26.739 -13.511 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.750 28.807 -13.987 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.015 29.105 -12.648 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.185 30.390 -12.876 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.082 26.882 -11.505 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.595 30.878 -11.084 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.201 26.233 -9.389 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.707 30.234 -8.964 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.514 27.911 -8.118 1.00 0.00 H new ATOM 258 N THR A 18 -1.494 29.818 -15.940 1.00 0.00 N ATOM 259 CA THR A 18 -0.802 30.235 -17.193 1.00 0.00 C ATOM 260 C THR A 18 -0.893 31.756 -17.335 1.00 0.00 C ATOM 261 O THR A 18 -1.958 32.333 -17.250 1.00 0.00 O ATOM 262 CB THR A 18 -1.465 29.562 -18.397 1.00 0.00 C ATOM 263 OG1 THR A 18 -1.550 28.162 -18.169 1.00 0.00 O ATOM 264 CG2 THR A 18 -0.633 29.827 -19.654 1.00 0.00 C ATOM 0 H THR A 18 -2.387 30.278 -15.762 1.00 0.00 H new ATOM 0 HA THR A 18 0.245 29.935 -17.150 1.00 0.00 H new ATOM 0 HB THR A 18 -2.467 29.969 -18.535 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.976 27.730 -18.939 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.106 29.347 -20.511 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.570 30.901 -19.829 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.370 29.422 -19.519 1.00 0.00 H new ATOM 272 N VAL A 19 0.215 32.412 -17.551 1.00 0.00 N ATOM 273 CA VAL A 19 0.186 33.895 -17.695 1.00 0.00 C ATOM 274 C VAL A 19 -0.351 34.260 -19.080 1.00 0.00 C ATOM 275 O VAL A 19 -0.097 33.575 -20.051 1.00 0.00 O ATOM 276 CB VAL A 19 1.603 34.450 -17.537 1.00 0.00 C ATOM 277 CG1 VAL A 19 1.535 35.948 -17.232 1.00 0.00 C ATOM 278 CG2 VAL A 19 2.310 33.727 -16.389 1.00 0.00 C ATOM 0 H VAL A 19 1.138 31.985 -17.634 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.460 34.323 -16.928 1.00 0.00 H new ATOM 0 HB VAL A 19 2.158 34.293 -18.462 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.545 36.343 -17.120 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.033 36.464 -18.051 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.979 36.106 -16.308 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.319 34.123 -16.277 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.754 33.882 -15.464 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.361 32.660 -16.607 1.00 0.00 H new ATOM 288 N GLN A 20 -1.089 35.331 -19.185 1.00 0.00 N ATOM 289 CA GLN A 20 -1.633 35.726 -20.515 1.00 0.00 C ATOM 290 C GLN A 20 -1.035 37.070 -20.935 1.00 0.00 C ATOM 291 O GLN A 20 -0.543 37.827 -20.120 1.00 0.00 O ATOM 292 CB GLN A 20 -3.157 35.853 -20.425 1.00 0.00 C ATOM 293 CG GLN A 20 -3.743 34.566 -19.843 1.00 0.00 C ATOM 294 CD GLN A 20 -3.264 33.369 -20.668 1.00 0.00 C ATOM 295 OE1 GLN A 20 -3.347 33.378 -21.880 1.00 0.00 O ATOM 296 NE2 GLN A 20 -2.764 32.331 -20.056 1.00 0.00 N ATOM 0 H GLN A 20 -1.338 35.947 -18.411 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.373 34.967 -21.253 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.425 36.703 -19.798 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.576 36.041 -21.414 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.436 34.451 -18.804 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.832 34.614 -19.850 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.694 32.324 -19.038 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.443 31.527 -20.595 1.00 0.00 H new ATOM 305 N LYS A 21 -1.073 37.370 -22.203 1.00 0.00 N ATOM 306 CA LYS A 21 -0.511 38.663 -22.690 1.00 0.00 C ATOM 307 C LYS A 21 -1.128 39.826 -21.911 1.00 0.00 C ATOM 308 O LYS A 21 -2.310 40.091 -22.014 1.00 0.00 O ATOM 309 CB LYS A 21 -0.842 38.827 -24.174 1.00 0.00 C ATOM 310 CG LYS A 21 -0.101 37.761 -24.984 1.00 0.00 C ATOM 311 CD LYS A 21 -0.199 38.093 -26.474 1.00 0.00 C ATOM 312 CE LYS A 21 0.466 36.983 -27.290 1.00 0.00 C ATOM 313 NZ LYS A 21 -0.247 36.826 -28.589 1.00 0.00 N ATOM 0 H LYS A 21 -1.471 36.773 -22.928 1.00 0.00 H new ATOM 0 HA LYS A 21 0.569 38.662 -22.544 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.917 38.735 -24.330 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.554 39.822 -24.514 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.944 37.718 -24.678 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.531 36.778 -24.790 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.244 38.197 -26.766 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.285 39.048 -26.677 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.514 37.224 -27.465 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.443 36.045 -26.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.205 36.071 -29.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.241 36.577 -28.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.203 37.720 -29.119 1.00 0.00 H new ATOM 327 N GLY A 22 -0.346 40.532 -21.140 1.00 0.00 N ATOM 328 CA GLY A 22 -0.910 41.682 -20.376 1.00 0.00 C ATOM 329 C GLY A 22 -0.315 41.731 -18.967 1.00 0.00 C ATOM 330 O GLY A 22 -0.596 42.631 -18.201 1.00 0.00 O ATOM 0 H GLY A 22 0.651 40.364 -21.006 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.697 42.614 -20.900 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.994 41.590 -20.316 1.00 0.00 H new ATOM 334 N SER A 23 0.501 40.777 -18.609 1.00 0.00 N ATOM 335 CA SER A 23 1.093 40.794 -17.241 1.00 0.00 C ATOM 336 C SER A 23 1.871 42.099 -17.044 1.00 0.00 C ATOM 337 O SER A 23 2.517 42.589 -17.950 1.00 0.00 O ATOM 338 CB SER A 23 2.034 39.600 -17.073 1.00 0.00 C ATOM 339 OG SER A 23 2.338 39.427 -15.696 1.00 0.00 O ATOM 0 H SER A 23 0.781 39.993 -19.199 1.00 0.00 H new ATOM 0 HA SER A 23 0.299 40.729 -16.498 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.569 38.698 -17.470 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.950 39.762 -17.641 1.00 0.00 H new ATOM 0 HG SER A 23 3.304 39.306 -15.587 1.00 0.00 H new ATOM 345 N ASP A 24 1.810 42.669 -15.871 1.00 0.00 N ATOM 346 CA ASP A 24 2.543 43.946 -15.624 1.00 0.00 C ATOM 347 C ASP A 24 3.289 43.863 -14.288 1.00 0.00 C ATOM 348 O ASP A 24 3.119 42.928 -13.530 1.00 0.00 O ATOM 349 CB ASP A 24 1.544 45.107 -15.578 1.00 0.00 C ATOM 350 CG ASP A 24 0.263 44.714 -16.319 1.00 0.00 C ATOM 351 OD1 ASP A 24 -0.368 43.756 -15.904 1.00 0.00 O ATOM 352 OD2 ASP A 24 -0.064 45.378 -17.289 1.00 0.00 O ATOM 0 H ASP A 24 1.286 42.307 -15.074 1.00 0.00 H new ATOM 0 HA ASP A 24 3.260 44.112 -16.428 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.314 45.361 -14.543 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.982 45.995 -16.034 1.00 0.00 H new ATOM 357 N PRO A 25 4.133 44.867 -13.999 1.00 0.00 N ATOM 358 CA PRO A 25 4.914 44.917 -12.757 1.00 0.00 C ATOM 359 C PRO A 25 4.032 45.197 -11.535 1.00 0.00 C ATOM 360 O PRO A 25 4.313 44.752 -10.441 1.00 0.00 O ATOM 361 CB PRO A 25 5.876 46.083 -12.984 1.00 0.00 C ATOM 362 CG PRO A 25 5.186 46.950 -13.982 1.00 0.00 C ATOM 363 CD PRO A 25 4.391 46.030 -14.866 1.00 0.00 C ATOM 0 HA PRO A 25 5.411 43.969 -12.552 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.071 46.623 -12.057 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.839 45.736 -13.359 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.535 47.671 -13.486 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.908 47.521 -14.565 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.464 46.496 -15.201 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.948 45.750 -15.760 1.00 0.00 H new ATOM 371 N LYS A 26 2.965 45.926 -11.715 1.00 0.00 N ATOM 372 CA LYS A 26 2.064 46.225 -10.566 1.00 0.00 C ATOM 373 C LYS A 26 0.724 45.523 -10.786 1.00 0.00 C ATOM 374 O LYS A 26 -0.231 45.737 -10.068 1.00 0.00 O ATOM 375 CB LYS A 26 1.840 47.735 -10.464 1.00 0.00 C ATOM 376 CG LYS A 26 3.184 48.439 -10.271 1.00 0.00 C ATOM 377 CD LYS A 26 2.947 49.930 -10.026 1.00 0.00 C ATOM 378 CE LYS A 26 4.292 50.640 -9.854 1.00 0.00 C ATOM 379 NZ LYS A 26 4.435 51.692 -10.899 1.00 0.00 N ATOM 0 H LYS A 26 2.678 46.327 -12.608 1.00 0.00 H new ATOM 0 HA LYS A 26 2.520 45.869 -9.642 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.351 48.103 -11.366 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.177 47.959 -9.629 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.718 48.001 -9.428 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.810 48.299 -11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.399 50.364 -10.862 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.334 50.070 -9.136 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.355 51.087 -8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.108 49.921 -9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.349 52.175 -10.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.393 51.254 -11.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.664 52.383 -10.804 1.00 0.00 H new ATOM 393 N LYS A 27 0.653 44.681 -11.780 1.00 0.00 N ATOM 394 CA LYS A 27 -0.613 43.952 -12.064 1.00 0.00 C ATOM 395 C LYS A 27 -0.275 42.528 -12.502 1.00 0.00 C ATOM 396 O LYS A 27 0.583 42.316 -13.335 1.00 0.00 O ATOM 397 CB LYS A 27 -1.366 44.665 -13.190 1.00 0.00 C ATOM 398 CG LYS A 27 -1.768 46.066 -12.727 1.00 0.00 C ATOM 399 CD LYS A 27 -2.532 46.773 -13.848 1.00 0.00 C ATOM 400 CE LYS A 27 -2.590 48.274 -13.558 1.00 0.00 C ATOM 401 NZ LYS A 27 -1.745 49.004 -14.545 1.00 0.00 N ATOM 0 H LYS A 27 1.424 44.466 -12.412 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.236 43.927 -11.170 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.737 44.730 -14.078 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.252 44.094 -13.468 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.389 46.001 -11.834 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.881 46.640 -12.458 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.041 46.595 -14.805 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.541 46.368 -13.927 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.620 48.626 -13.614 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.239 48.473 -12.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.784 50.024 -14.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.761 48.675 -14.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.099 48.823 -15.506 1.00 0.00 H new ATOM 415 N LEU A 28 -0.936 41.546 -11.954 1.00 0.00 N ATOM 416 CA LEU A 28 -0.631 40.146 -12.358 1.00 0.00 C ATOM 417 C LEU A 28 -1.895 39.494 -12.922 1.00 0.00 C ATOM 418 O LEU A 28 -2.920 39.411 -12.274 1.00 0.00 O ATOM 419 CB LEU A 28 -0.120 39.355 -11.146 1.00 0.00 C ATOM 420 CG LEU A 28 0.656 38.106 -11.590 1.00 0.00 C ATOM 421 CD1 LEU A 28 0.165 37.628 -12.957 1.00 0.00 C ATOM 422 CD2 LEU A 28 2.147 38.435 -11.672 1.00 0.00 C ATOM 0 H LEU A 28 -1.667 41.651 -11.251 1.00 0.00 H new ATOM 0 HA LEU A 28 0.143 40.147 -13.126 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.524 39.990 -10.538 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.961 39.061 -10.519 1.00 0.00 H new ATOM 0 HG LEU A 28 0.491 37.313 -10.860 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.726 36.742 -13.256 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.895 37.383 -12.897 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.314 38.417 -13.694 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.698 37.549 -11.987 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.304 39.236 -12.395 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.503 38.755 -10.693 1.00 0.00 H new ATOM 434 N VAL A 29 -1.805 39.020 -14.134 1.00 0.00 N ATOM 435 CA VAL A 29 -2.963 38.349 -14.784 1.00 0.00 C ATOM 436 C VAL A 29 -2.549 36.921 -15.137 1.00 0.00 C ATOM 437 O VAL A 29 -1.548 36.706 -15.791 1.00 0.00 O ATOM 438 CB VAL A 29 -3.338 39.102 -16.062 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.628 38.517 -16.639 1.00 0.00 C ATOM 440 CG2 VAL A 29 -3.550 40.583 -15.739 1.00 0.00 C ATOM 0 H VAL A 29 -0.964 39.071 -14.709 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.821 38.340 -14.112 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.535 39.001 -16.792 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.895 39.053 -17.549 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.478 37.462 -16.870 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.431 38.618 -15.909 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.817 41.119 -16.650 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.353 40.685 -15.009 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.631 41.001 -15.328 1.00 0.00 H new ATOM 450 N LEU A 30 -3.293 35.943 -14.707 1.00 0.00 N ATOM 451 CA LEU A 30 -2.908 34.539 -15.023 1.00 0.00 C ATOM 452 C LEU A 30 -4.156 33.689 -15.248 1.00 0.00 C ATOM 453 O LEU A 30 -5.161 33.851 -14.585 1.00 0.00 O ATOM 454 CB LEU A 30 -2.119 33.945 -13.851 1.00 0.00 C ATOM 455 CG LEU A 30 -0.846 34.757 -13.607 1.00 0.00 C ATOM 456 CD1 LEU A 30 -0.692 35.014 -12.107 1.00 0.00 C ATOM 457 CD2 LEU A 30 0.365 33.972 -14.116 1.00 0.00 C ATOM 0 H LEU A 30 -4.144 36.052 -14.155 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.297 34.541 -15.926 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.735 33.942 -12.952 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.862 32.907 -14.064 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.911 35.707 -14.137 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.214 35.593 -11.928 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.556 35.570 -11.743 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.625 34.062 -11.580 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.273 34.550 -13.942 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.433 33.023 -13.585 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.254 33.783 -15.184 1.00 0.00 H new ATOM 469 N ASP A 31 -4.084 32.758 -16.157 1.00 0.00 N ATOM 470 CA ASP A 31 -5.246 31.867 -16.400 1.00 0.00 C ATOM 471 C ASP A 31 -5.139 30.700 -15.421 1.00 0.00 C ATOM 472 O ASP A 31 -4.064 30.188 -15.179 1.00 0.00 O ATOM 473 CB ASP A 31 -5.206 31.345 -17.838 1.00 0.00 C ATOM 474 CG ASP A 31 -6.478 30.544 -18.126 1.00 0.00 C ATOM 475 OD1 ASP A 31 -7.318 30.467 -17.245 1.00 0.00 O ATOM 476 OD2 ASP A 31 -6.589 30.022 -19.223 1.00 0.00 O ATOM 0 H ASP A 31 -3.268 32.577 -16.742 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.183 32.405 -16.256 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.122 32.178 -18.536 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.327 30.717 -17.984 1.00 0.00 H new ATOM 481 N ILE A 32 -6.224 30.279 -14.842 1.00 0.00 N ATOM 482 CA ILE A 32 -6.129 29.155 -13.873 1.00 0.00 C ATOM 483 C ILE A 32 -7.022 27.997 -14.309 1.00 0.00 C ATOM 484 O ILE A 32 -8.187 28.170 -14.604 1.00 0.00 O ATOM 485 CB ILE A 32 -6.566 29.629 -12.488 1.00 0.00 C ATOM 486 CG1 ILE A 32 -5.545 30.628 -11.940 1.00 0.00 C ATOM 487 CG2 ILE A 32 -6.664 28.422 -11.551 1.00 0.00 C ATOM 488 CD1 ILE A 32 -6.179 31.437 -10.806 1.00 0.00 C ATOM 0 H ILE A 32 -7.159 30.656 -14.993 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.094 28.815 -13.839 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.539 30.116 -12.557 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.664 30.100 -11.576 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.211 31.295 -12.734 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.976 28.754 -10.561 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.395 27.715 -11.943 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.691 27.936 -11.481 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.451 32.149 -10.416 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.047 31.977 -11.185 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.491 30.763 -10.008 1.00 0.00 H new ATOM 500 N LYS A 33 -6.485 26.810 -14.316 1.00 0.00 N ATOM 501 CA LYS A 33 -7.301 25.626 -14.693 1.00 0.00 C ATOM 502 C LYS A 33 -7.525 24.792 -13.432 1.00 0.00 C ATOM 503 O LYS A 33 -6.593 24.329 -12.806 1.00 0.00 O ATOM 504 CB LYS A 33 -6.571 24.796 -15.751 1.00 0.00 C ATOM 505 CG LYS A 33 -7.536 23.769 -16.347 1.00 0.00 C ATOM 506 CD LYS A 33 -6.777 22.854 -17.311 1.00 0.00 C ATOM 507 CE LYS A 33 -7.746 21.844 -17.927 1.00 0.00 C ATOM 508 NZ LYS A 33 -8.838 22.570 -18.634 1.00 0.00 N ATOM 0 H LYS A 33 -5.514 26.609 -14.076 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.256 25.943 -15.113 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.184 25.446 -16.536 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.714 24.290 -15.305 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.992 23.179 -15.552 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.345 24.277 -16.872 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.305 23.446 -18.095 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.979 22.332 -16.782 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.216 21.194 -18.624 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.164 21.204 -17.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.085 22.061 -19.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.674 22.626 -18.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.519 23.531 -18.872 1.00 0.00 H new ATOM 522 N TYR A 34 -8.756 24.618 -13.046 1.00 0.00 N ATOM 523 CA TYR A 34 -9.049 23.838 -11.814 1.00 0.00 C ATOM 524 C TYR A 34 -9.975 22.668 -12.151 1.00 0.00 C ATOM 525 O TYR A 34 -11.120 22.853 -12.512 1.00 0.00 O ATOM 526 CB TYR A 34 -9.722 24.759 -10.796 1.00 0.00 C ATOM 527 CG TYR A 34 -9.924 24.016 -9.496 1.00 0.00 C ATOM 528 CD1 TYR A 34 -8.838 23.803 -8.638 1.00 0.00 C ATOM 529 CD2 TYR A 34 -11.194 23.543 -9.150 1.00 0.00 C ATOM 530 CE1 TYR A 34 -9.024 23.117 -7.433 1.00 0.00 C ATOM 531 CE2 TYR A 34 -11.380 22.857 -7.944 1.00 0.00 C ATOM 532 CZ TYR A 34 -10.296 22.644 -7.085 1.00 0.00 C ATOM 533 OH TYR A 34 -10.480 21.968 -5.896 1.00 0.00 O ATOM 0 H TYR A 34 -9.575 24.984 -13.532 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.123 23.443 -11.396 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.108 25.644 -10.629 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.681 25.105 -11.182 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.858 24.168 -8.906 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.031 23.707 -9.813 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.187 22.952 -6.771 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.361 22.492 -7.676 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.437 21.920 -5.692 1.00 0.00 H new ATOM 543 N THR A 35 -9.487 21.463 -12.033 1.00 0.00 N ATOM 544 CA THR A 35 -10.336 20.279 -12.346 1.00 0.00 C ATOM 545 C THR A 35 -10.543 19.450 -11.077 1.00 0.00 C ATOM 546 O THR A 35 -9.606 18.944 -10.493 1.00 0.00 O ATOM 547 CB THR A 35 -9.643 19.422 -13.408 1.00 0.00 C ATOM 548 OG1 THR A 35 -9.405 20.208 -14.567 1.00 0.00 O ATOM 549 CG2 THR A 35 -10.536 18.234 -13.769 1.00 0.00 C ATOM 0 H THR A 35 -8.536 21.248 -11.733 1.00 0.00 H new ATOM 0 HA THR A 35 -11.303 20.614 -12.723 1.00 0.00 H new ATOM 0 HB THR A 35 -8.694 19.055 -13.017 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.960 19.661 -15.247 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.042 17.624 -14.525 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.718 17.632 -12.879 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.486 18.598 -14.160 1.00 0.00 H new ATOM 557 N ARG A 36 -11.766 19.308 -10.646 1.00 0.00 N ATOM 558 CA ARG A 36 -12.038 18.512 -9.415 1.00 0.00 C ATOM 559 C ARG A 36 -13.198 17.548 -9.677 1.00 0.00 C ATOM 560 O ARG A 36 -14.071 17.817 -10.478 1.00 0.00 O ATOM 561 CB ARG A 36 -12.410 19.455 -8.270 1.00 0.00 C ATOM 562 CG ARG A 36 -11.582 19.103 -7.031 1.00 0.00 C ATOM 563 CD ARG A 36 -12.516 18.661 -5.903 1.00 0.00 C ATOM 564 NE ARG A 36 -11.737 17.915 -4.876 1.00 0.00 N ATOM 565 CZ ARG A 36 -12.281 16.911 -4.245 1.00 0.00 C ATOM 566 NH1 ARG A 36 -13.580 16.820 -4.160 1.00 0.00 N ATOM 567 NH2 ARG A 36 -11.527 15.998 -3.696 1.00 0.00 N ATOM 0 H ARG A 36 -12.590 19.709 -11.093 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.147 17.945 -9.145 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.226 20.489 -8.562 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.473 19.371 -8.046 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.876 18.307 -7.266 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.995 19.966 -6.715 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.995 19.530 -5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.311 18.030 -6.301 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.777 18.189 -4.666 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.170 17.534 -4.587 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.005 16.035 -3.667 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.511 16.069 -3.760 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.953 15.213 -3.203 1.00 0.00 H new ATOM 581 N PRO A 37 -13.200 16.401 -8.983 1.00 0.00 N ATOM 582 CA PRO A 37 -14.248 15.385 -9.136 1.00 0.00 C ATOM 583 C PRO A 37 -15.585 15.842 -8.541 1.00 0.00 C ATOM 584 O PRO A 37 -15.882 15.590 -7.391 1.00 0.00 O ATOM 585 CB PRO A 37 -13.709 14.194 -8.344 1.00 0.00 C ATOM 586 CG PRO A 37 -12.781 14.795 -7.342 1.00 0.00 C ATOM 587 CD PRO A 37 -12.177 16.005 -7.999 1.00 0.00 C ATOM 0 HA PRO A 37 -14.450 15.166 -10.184 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.515 13.644 -7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.189 13.489 -8.993 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.316 15.072 -6.434 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.008 14.083 -7.052 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.983 16.799 -7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.227 15.770 -8.479 1.00 0.00 H new ATOM 595 N GLY A 38 -16.396 16.506 -9.320 1.00 0.00 N ATOM 596 CA GLY A 38 -17.715 16.970 -8.801 1.00 0.00 C ATOM 597 C GLY A 38 -17.577 18.372 -8.203 1.00 0.00 C ATOM 598 O GLY A 38 -18.519 19.139 -8.177 1.00 0.00 O ATOM 0 H GLY A 38 -16.203 16.747 -10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.449 16.980 -9.607 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.082 16.277 -8.044 1.00 0.00 H new ATOM 602 N ASP A 39 -16.415 18.715 -7.720 1.00 0.00 N ATOM 603 CA ASP A 39 -16.228 20.069 -7.124 1.00 0.00 C ATOM 604 C ASP A 39 -15.751 21.044 -8.203 1.00 0.00 C ATOM 605 O ASP A 39 -15.439 20.655 -9.310 1.00 0.00 O ATOM 606 CB ASP A 39 -15.187 19.995 -6.006 1.00 0.00 C ATOM 607 CG ASP A 39 -15.804 20.498 -4.699 1.00 0.00 C ATOM 608 OD1 ASP A 39 -16.294 21.615 -4.690 1.00 0.00 O ATOM 609 OD2 ASP A 39 -15.777 19.757 -3.730 1.00 0.00 O ATOM 0 H ASP A 39 -15.588 18.118 -7.712 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.176 20.418 -6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.840 18.969 -5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.316 20.598 -6.265 1.00 0.00 H new ATOM 614 N SER A 40 -15.692 22.309 -7.886 1.00 0.00 N ATOM 615 CA SER A 40 -15.235 23.308 -8.894 1.00 0.00 C ATOM 616 C SER A 40 -14.635 24.520 -8.178 1.00 0.00 C ATOM 617 O SER A 40 -14.867 24.740 -7.007 1.00 0.00 O ATOM 618 CB SER A 40 -16.422 23.754 -9.747 1.00 0.00 C ATOM 619 OG SER A 40 -17.073 22.613 -10.288 1.00 0.00 O ATOM 0 H SER A 40 -15.940 22.693 -6.974 1.00 0.00 H new ATOM 0 HA SER A 40 -14.479 22.855 -9.535 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.121 24.332 -9.142 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.081 24.406 -10.551 1.00 0.00 H new ATOM 0 HG SER A 40 -17.835 22.899 -10.834 1.00 0.00 H new ATOM 625 N LEU A 41 -13.862 25.305 -8.876 1.00 0.00 N ATOM 626 CA LEU A 41 -13.238 26.504 -8.246 1.00 0.00 C ATOM 627 C LEU A 41 -14.305 27.578 -8.011 1.00 0.00 C ATOM 628 O LEU A 41 -15.091 27.885 -8.885 1.00 0.00 O ATOM 629 CB LEU A 41 -12.163 27.052 -9.185 1.00 0.00 C ATOM 630 CG LEU A 41 -11.141 27.863 -8.391 1.00 0.00 C ATOM 631 CD1 LEU A 41 -10.160 28.517 -9.365 1.00 0.00 C ATOM 632 CD2 LEU A 41 -11.855 28.947 -7.581 1.00 0.00 C ATOM 0 H LEU A 41 -13.634 25.167 -9.861 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.792 26.228 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.666 26.231 -9.701 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.622 27.678 -9.950 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.603 27.205 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.426 29.098 -8.807 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.649 27.745 -9.940 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.704 29.175 -10.043 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.121 29.522 -7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.394 29.611 -8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.559 28.481 -6.891 1.00 0.00 H new ATOM 644 N ALA A 42 -14.337 28.154 -6.840 1.00 0.00 N ATOM 645 CA ALA A 42 -15.354 29.208 -6.558 1.00 0.00 C ATOM 646 C ALA A 42 -14.659 30.545 -6.295 1.00 0.00 C ATOM 647 O ALA A 42 -15.115 31.586 -6.722 1.00 0.00 O ATOM 648 CB ALA A 42 -16.165 28.818 -5.323 1.00 0.00 C ATOM 0 H ALA A 42 -13.705 27.941 -6.068 1.00 0.00 H new ATOM 0 HA ALA A 42 -16.014 29.304 -7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.908 29.589 -5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.668 27.868 -5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.498 28.719 -4.466 1.00 0.00 H new ATOM 654 N GLU A 43 -13.562 30.528 -5.588 1.00 0.00 N ATOM 655 CA GLU A 43 -12.852 31.807 -5.295 1.00 0.00 C ATOM 656 C GLU A 43 -11.337 31.593 -5.341 1.00 0.00 C ATOM 657 O GLU A 43 -10.840 30.522 -5.059 1.00 0.00 O ATOM 658 CB GLU A 43 -13.254 32.303 -3.904 1.00 0.00 C ATOM 659 CG GLU A 43 -14.754 32.604 -3.882 1.00 0.00 C ATOM 660 CD GLU A 43 -15.111 33.331 -2.584 1.00 0.00 C ATOM 661 OE1 GLU A 43 -14.282 33.341 -1.688 1.00 0.00 O ATOM 662 OE2 GLU A 43 -16.205 33.863 -2.507 1.00 0.00 O ATOM 0 H GLU A 43 -13.128 29.689 -5.202 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.128 32.547 -6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.013 31.550 -3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.689 33.199 -3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.025 33.218 -4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.323 31.677 -3.960 1.00 0.00 H new ATOM 669 N VAL A 44 -10.602 32.614 -5.693 1.00 0.00 N ATOM 670 CA VAL A 44 -9.118 32.489 -5.760 1.00 0.00 C ATOM 671 C VAL A 44 -8.477 33.749 -5.175 1.00 0.00 C ATOM 672 O VAL A 44 -8.897 34.853 -5.463 1.00 0.00 O ATOM 673 CB VAL A 44 -8.686 32.343 -7.220 1.00 0.00 C ATOM 674 CG1 VAL A 44 -7.216 31.924 -7.279 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.546 31.281 -7.904 1.00 0.00 C ATOM 0 H VAL A 44 -10.968 33.534 -5.938 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.801 31.614 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.812 33.297 -7.732 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.909 31.820 -8.320 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.602 32.682 -6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.089 30.971 -6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.237 31.178 -8.944 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.421 30.327 -7.392 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.593 31.580 -7.864 1.00 0.00 H new ATOM 685 N GLU A 45 -7.462 33.607 -4.368 1.00 0.00 N ATOM 686 CA GLU A 45 -6.811 34.818 -3.795 1.00 0.00 C ATOM 687 C GLU A 45 -5.301 34.746 -4.035 1.00 0.00 C ATOM 688 O GLU A 45 -4.724 33.680 -4.120 1.00 0.00 O ATOM 689 CB GLU A 45 -7.099 34.908 -2.295 1.00 0.00 C ATOM 690 CG GLU A 45 -8.608 35.035 -2.073 1.00 0.00 C ATOM 691 CD GLU A 45 -8.896 35.129 -0.573 1.00 0.00 C ATOM 692 OE1 GLU A 45 -8.657 36.184 -0.010 1.00 0.00 O ATOM 693 OE2 GLU A 45 -9.352 34.144 -0.016 1.00 0.00 O ATOM 0 H GLU A 45 -7.059 32.715 -4.083 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.212 35.707 -4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.719 34.022 -1.787 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.584 35.767 -1.866 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.988 35.920 -2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.123 34.174 -2.500 1.00 0.00 H new ATOM 700 N LEU A 46 -4.662 35.877 -4.159 1.00 0.00 N ATOM 701 CA LEU A 46 -3.194 35.885 -4.412 1.00 0.00 C ATOM 702 C LEU A 46 -2.475 36.628 -3.283 1.00 0.00 C ATOM 703 O LEU A 46 -2.890 37.689 -2.864 1.00 0.00 O ATOM 704 CB LEU A 46 -2.925 36.598 -5.739 1.00 0.00 C ATOM 705 CG LEU A 46 -1.424 36.843 -5.899 1.00 0.00 C ATOM 706 CD1 LEU A 46 -0.666 35.537 -5.668 1.00 0.00 C ATOM 707 CD2 LEU A 46 -1.141 37.349 -7.313 1.00 0.00 C ATOM 0 H LEU A 46 -5.095 36.798 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.826 34.860 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.295 35.995 -6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.463 37.546 -5.769 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.098 37.586 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.404 35.712 -5.782 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.869 35.172 -4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.992 34.794 -6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.072 37.524 -7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.468 36.604 -8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.682 38.280 -7.481 1.00 0.00 H new ATOM 719 N ARG A 47 -1.395 36.082 -2.797 1.00 0.00 N ATOM 720 CA ARG A 47 -0.643 36.761 -1.705 1.00 0.00 C ATOM 721 C ARG A 47 0.791 37.017 -2.177 1.00 0.00 C ATOM 722 O ARG A 47 1.455 36.136 -2.688 1.00 0.00 O ATOM 723 CB ARG A 47 -0.633 35.875 -0.458 1.00 0.00 C ATOM 724 CG ARG A 47 0.357 36.434 0.565 1.00 0.00 C ATOM 725 CD ARG A 47 0.110 35.774 1.925 1.00 0.00 C ATOM 726 NE ARG A 47 0.955 34.552 2.044 1.00 0.00 N ATOM 727 CZ ARG A 47 1.690 34.367 3.107 1.00 0.00 C ATOM 728 NH1 ARG A 47 1.210 34.644 4.289 1.00 0.00 N ATOM 729 NH2 ARG A 47 2.905 33.906 2.987 1.00 0.00 N ATOM 0 H ARG A 47 -1.001 35.195 -3.109 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.122 37.709 -1.458 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.632 35.830 -0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.356 34.856 -0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.380 36.247 0.238 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.241 37.515 0.646 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.346 36.472 2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.943 35.513 2.029 1.00 0.00 H new ATOM 0 HE ARG A 47 0.959 33.860 1.295 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.261 35.005 4.382 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.784 34.499 5.119 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.280 33.691 2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.480 33.761 3.817 1.00 0.00 H new ATOM 743 N GLN A 48 1.268 38.223 -2.023 1.00 0.00 N ATOM 744 CA GLN A 48 2.651 38.545 -2.478 1.00 0.00 C ATOM 745 C GLN A 48 3.676 37.948 -1.511 1.00 0.00 C ATOM 746 O GLN A 48 3.423 37.794 -0.332 1.00 0.00 O ATOM 747 CB GLN A 48 2.824 40.063 -2.533 1.00 0.00 C ATOM 748 CG GLN A 48 1.762 40.662 -3.457 1.00 0.00 C ATOM 749 CD GLN A 48 2.131 42.110 -3.790 1.00 0.00 C ATOM 750 OE1 GLN A 48 1.391 42.781 -4.629 1.00 0.00 O flip ATOM 751 NE2 GLN A 48 3.102 42.634 -3.280 1.00 0.00 N flip ATOM 0 H GLN A 48 0.759 39.000 -1.601 1.00 0.00 H new ATOM 0 HA GLN A 48 2.810 38.120 -3.469 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.733 40.487 -1.533 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.821 40.314 -2.896 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.688 40.075 -4.372 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.785 40.626 -2.976 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.680 42.108 -2.624 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.339 43.600 -3.508 1.00 0.00 H new ATOM 760 N HIS A 49 4.835 37.613 -2.008 1.00 0.00 N ATOM 761 CA HIS A 49 5.887 37.025 -1.132 1.00 0.00 C ATOM 762 C HIS A 49 6.323 38.054 -0.085 1.00 0.00 C ATOM 763 O HIS A 49 6.840 39.105 -0.410 1.00 0.00 O ATOM 764 CB HIS A 49 7.096 36.627 -1.979 1.00 0.00 C ATOM 765 CG HIS A 49 8.176 36.082 -1.085 1.00 0.00 C ATOM 766 ND1 HIS A 49 9.278 36.837 -0.713 1.00 0.00 N ATOM 767 CD2 HIS A 49 8.339 34.859 -0.482 1.00 0.00 C ATOM 768 CE1 HIS A 49 10.047 36.067 0.080 1.00 0.00 C ATOM 769 NE2 HIS A 49 9.520 34.853 0.253 1.00 0.00 N ATOM 0 H HIS A 49 5.099 37.722 -2.987 1.00 0.00 H new ATOM 0 HA HIS A 49 5.484 36.145 -0.632 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.807 35.878 -2.716 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.467 37.491 -2.531 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.654 34.028 -0.566 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.977 36.392 0.522 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.902 34.085 0.806 1.00 0.00 H new ATOM 777 N GLY A 50 6.119 37.757 1.169 1.00 0.00 N ATOM 778 CA GLY A 50 6.523 38.713 2.238 1.00 0.00 C ATOM 779 C GLY A 50 5.283 39.416 2.792 1.00 0.00 C ATOM 780 O GLY A 50 5.373 40.261 3.661 1.00 0.00 O ATOM 0 H GLY A 50 5.690 36.893 1.500 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.041 38.183 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.222 39.448 1.838 1.00 0.00 H new ATOM 784 N SER A 51 4.125 39.076 2.298 1.00 0.00 N ATOM 785 CA SER A 51 2.883 39.725 2.800 1.00 0.00 C ATOM 786 C SER A 51 2.030 38.691 3.535 1.00 0.00 C ATOM 787 O SER A 51 2.099 37.509 3.262 1.00 0.00 O ATOM 788 CB SER A 51 2.092 40.294 1.621 1.00 0.00 C ATOM 789 OG SER A 51 0.929 40.951 2.104 1.00 0.00 O ATOM 0 H SER A 51 3.986 38.377 1.569 1.00 0.00 H new ATOM 0 HA SER A 51 3.145 40.532 3.484 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.710 40.993 1.058 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.812 39.493 0.936 1.00 0.00 H new ATOM 0 HG SER A 51 0.423 41.317 1.349 1.00 0.00 H new ATOM 795 N GLU A 52 1.227 39.126 4.466 1.00 0.00 N ATOM 796 CA GLU A 52 0.371 38.167 5.217 1.00 0.00 C ATOM 797 C GLU A 52 -1.101 38.505 4.974 1.00 0.00 C ATOM 798 O GLU A 52 -1.969 38.128 5.736 1.00 0.00 O ATOM 799 CB GLU A 52 0.681 38.268 6.711 1.00 0.00 C ATOM 800 CG GLU A 52 2.186 38.107 6.931 1.00 0.00 C ATOM 801 CD GLU A 52 2.491 38.158 8.429 1.00 0.00 C ATOM 802 OE1 GLU A 52 1.577 37.945 9.208 1.00 0.00 O ATOM 803 OE2 GLU A 52 3.635 38.410 8.772 1.00 0.00 O ATOM 0 H GLU A 52 1.127 40.104 4.739 1.00 0.00 H new ATOM 0 HA GLU A 52 0.572 37.152 4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.347 39.230 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.138 37.498 7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.526 37.160 6.512 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.727 38.898 6.412 1.00 0.00 H new ATOM 810 N GLU A 53 -1.388 39.215 3.917 1.00 0.00 N ATOM 811 CA GLU A 53 -2.802 39.579 3.624 1.00 0.00 C ATOM 812 C GLU A 53 -3.171 39.099 2.220 1.00 0.00 C ATOM 813 O GLU A 53 -2.943 39.781 1.240 1.00 0.00 O ATOM 814 CB GLU A 53 -2.967 41.097 3.706 1.00 0.00 C ATOM 815 CG GLU A 53 -2.587 41.577 5.108 1.00 0.00 C ATOM 816 CD GLU A 53 -2.834 43.082 5.216 1.00 0.00 C ATOM 817 OE1 GLU A 53 -3.073 43.699 4.191 1.00 0.00 O ATOM 818 OE2 GLU A 53 -2.781 43.594 6.322 1.00 0.00 O ATOM 0 H GLU A 53 -0.703 39.559 3.244 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.458 39.104 4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.337 41.583 2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.997 41.374 3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.175 41.047 5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.539 41.354 5.309 1.00 0.00 H new ATOM 825 N TRP A 54 -3.742 37.932 2.116 1.00 0.00 N ATOM 826 CA TRP A 54 -4.129 37.403 0.777 1.00 0.00 C ATOM 827 C TRP A 54 -5.012 38.421 0.054 1.00 0.00 C ATOM 828 O TRP A 54 -5.959 38.942 0.608 1.00 0.00 O ATOM 829 CB TRP A 54 -4.899 36.095 0.956 1.00 0.00 C ATOM 830 CG TRP A 54 -3.939 34.993 1.264 1.00 0.00 C ATOM 831 CD1 TRP A 54 -3.466 34.696 2.495 1.00 0.00 C ATOM 832 CD2 TRP A 54 -3.326 34.043 0.348 1.00 0.00 C ATOM 833 NE1 TRP A 54 -2.602 33.620 2.393 1.00 0.00 N ATOM 834 CE2 TRP A 54 -2.483 33.181 1.089 1.00 0.00 C ATOM 835 CE3 TRP A 54 -3.420 33.846 -1.040 1.00 0.00 C ATOM 836 CZ2 TRP A 54 -1.758 32.160 0.472 1.00 0.00 C ATOM 837 CZ3 TRP A 54 -2.693 32.820 -1.664 1.00 0.00 C ATOM 838 CH2 TRP A 54 -1.864 31.980 -0.910 1.00 0.00 C ATOM 0 H TRP A 54 -3.958 37.319 2.902 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.232 37.223 0.185 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.626 36.195 1.762 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.458 35.862 0.050 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.721 35.214 3.408 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.113 33.202 3.184 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.056 34.488 -1.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.120 31.514 1.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.773 32.678 -2.732 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.307 31.193 -1.396 1.00 0.00 H new ATOM 849 N GLU A 55 -4.709 38.702 -1.184 1.00 0.00 N ATOM 850 CA GLU A 55 -5.529 39.682 -1.952 1.00 0.00 C ATOM 851 C GLU A 55 -6.484 38.926 -2.877 1.00 0.00 C ATOM 852 O GLU A 55 -6.117 37.947 -3.496 1.00 0.00 O ATOM 853 CB GLU A 55 -4.608 40.574 -2.787 1.00 0.00 C ATOM 854 CG GLU A 55 -4.095 41.729 -1.924 1.00 0.00 C ATOM 855 CD GLU A 55 -5.270 42.611 -1.499 1.00 0.00 C ATOM 856 OE1 GLU A 55 -5.962 43.104 -2.374 1.00 0.00 O ATOM 857 OE2 GLU A 55 -5.458 42.778 -0.306 1.00 0.00 O ATOM 0 H GLU A 55 -3.928 38.295 -1.698 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.102 40.300 -1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.770 39.992 -3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.147 40.963 -3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.582 41.340 -1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.368 42.318 -2.482 1.00 0.00 H new ATOM 864 N PRO A 56 -7.739 39.391 -2.967 1.00 0.00 N ATOM 865 CA PRO A 56 -8.760 38.760 -3.812 1.00 0.00 C ATOM 866 C PRO A 56 -8.486 38.977 -5.304 1.00 0.00 C ATOM 867 O PRO A 56 -8.022 40.023 -5.713 1.00 0.00 O ATOM 868 CB PRO A 56 -10.049 39.477 -3.412 1.00 0.00 C ATOM 869 CG PRO A 56 -9.598 40.800 -2.890 1.00 0.00 C ATOM 870 CD PRO A 56 -8.260 40.568 -2.248 1.00 0.00 C ATOM 0 HA PRO A 56 -8.792 37.680 -3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.718 39.594 -4.264 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.595 38.917 -2.653 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.521 41.530 -3.696 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.312 41.197 -2.168 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.604 41.431 -2.361 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.354 40.377 -1.179 1.00 0.00 H new ATOM 878 N LEU A 57 -8.777 38.001 -6.121 1.00 0.00 N ATOM 879 CA LEU A 57 -8.541 38.157 -7.586 1.00 0.00 C ATOM 880 C LEU A 57 -9.890 38.235 -8.300 1.00 0.00 C ATOM 881 O LEU A 57 -10.864 37.658 -7.858 1.00 0.00 O ATOM 882 CB LEU A 57 -7.761 36.950 -8.111 1.00 0.00 C ATOM 883 CG LEU A 57 -6.276 37.131 -7.806 1.00 0.00 C ATOM 884 CD1 LEU A 57 -6.007 36.758 -6.346 1.00 0.00 C ATOM 885 CD2 LEU A 57 -5.451 36.227 -8.725 1.00 0.00 C ATOM 0 H LEU A 57 -9.168 37.102 -5.838 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.968 39.066 -7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.130 36.035 -7.646 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.912 36.845 -9.185 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.995 38.171 -7.974 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.947 36.887 -6.127 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.594 37.403 -5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.288 35.718 -6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.391 36.357 -8.507 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.731 35.187 -8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.643 36.493 -9.765 1.00 0.00 H new ATOM 897 N THR A 58 -9.966 38.933 -9.399 1.00 0.00 N ATOM 898 CA THR A 58 -11.271 39.018 -10.114 1.00 0.00 C ATOM 899 C THR A 58 -11.235 38.098 -11.335 1.00 0.00 C ATOM 900 O THR A 58 -10.353 38.190 -12.166 1.00 0.00 O ATOM 901 CB THR A 58 -11.531 40.461 -10.555 1.00 0.00 C ATOM 902 OG1 THR A 58 -11.275 41.339 -9.468 1.00 0.00 O ATOM 903 CG2 THR A 58 -12.987 40.607 -10.999 1.00 0.00 C ATOM 0 H THR A 58 -9.193 39.442 -9.829 1.00 0.00 H new ATOM 0 HA THR A 58 -12.074 38.706 -9.446 1.00 0.00 H new ATOM 0 HB THR A 58 -10.874 40.711 -11.388 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.439 42.264 -9.749 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.170 41.635 -11.313 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.182 39.933 -11.833 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.647 40.358 -10.168 1.00 0.00 H new ATOM 911 N LYS A 59 -12.179 37.204 -11.449 1.00 0.00 N ATOM 912 CA LYS A 59 -12.185 36.277 -12.615 1.00 0.00 C ATOM 913 C LYS A 59 -12.617 37.043 -13.867 1.00 0.00 C ATOM 914 O LYS A 59 -13.759 37.434 -13.997 1.00 0.00 O ATOM 915 CB LYS A 59 -13.169 35.138 -12.344 1.00 0.00 C ATOM 916 CG LYS A 59 -13.084 34.104 -13.466 1.00 0.00 C ATOM 917 CD LYS A 59 -14.085 32.978 -13.196 1.00 0.00 C ATOM 918 CE LYS A 59 -13.522 31.655 -13.720 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.271 31.245 -14.941 1.00 0.00 N ATOM 0 H LYS A 59 -12.944 37.076 -10.787 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.187 35.867 -12.768 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.942 34.669 -11.387 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.184 35.530 -12.274 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.299 34.574 -14.426 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.073 33.700 -13.528 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.283 32.903 -12.127 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.036 33.198 -13.682 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.462 31.764 -13.950 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.604 30.884 -12.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.697 30.576 -15.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.164 30.789 -14.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.476 32.084 -15.520 1.00 0.00 H new ATOM 933 N LYS A 60 -11.719 37.275 -14.788 1.00 0.00 N ATOM 934 CA LYS A 60 -12.108 38.030 -16.011 1.00 0.00 C ATOM 935 C LYS A 60 -11.870 37.171 -17.257 1.00 0.00 C ATOM 936 O LYS A 60 -10.919 36.422 -17.333 1.00 0.00 O ATOM 937 CB LYS A 60 -11.270 39.306 -16.108 1.00 0.00 C ATOM 938 CG LYS A 60 -11.569 40.203 -14.905 1.00 0.00 C ATOM 939 CD LYS A 60 -11.239 41.655 -15.259 1.00 0.00 C ATOM 940 CE LYS A 60 -11.537 42.552 -14.056 1.00 0.00 C ATOM 941 NZ LYS A 60 -11.632 43.970 -14.507 1.00 0.00 N ATOM 0 H LYS A 60 -10.744 36.978 -14.746 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.166 38.286 -15.950 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.209 39.056 -16.135 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.497 39.834 -17.034 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.618 40.115 -14.624 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.981 39.884 -14.045 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.190 41.743 -15.541 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.828 41.974 -16.119 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.470 42.246 -13.583 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.751 42.449 -13.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.835 44.581 -13.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.731 44.258 -14.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.397 44.062 -15.206 1.00 0.00 H new ATOM 955 N GLY A 61 -12.718 37.286 -18.241 1.00 0.00 N ATOM 956 CA GLY A 61 -12.533 36.488 -19.487 1.00 0.00 C ATOM 957 C GLY A 61 -12.136 35.048 -19.141 1.00 0.00 C ATOM 958 O GLY A 61 -11.449 34.391 -19.898 1.00 0.00 O ATOM 0 H GLY A 61 -13.533 37.899 -18.237 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.455 36.489 -20.068 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.764 36.945 -20.109 1.00 0.00 H new ATOM 962 N ASN A 62 -12.571 34.549 -18.016 1.00 0.00 N ATOM 963 CA ASN A 62 -12.229 33.146 -17.634 1.00 0.00 C ATOM 964 C ASN A 62 -10.831 33.089 -17.008 1.00 0.00 C ATOM 965 O ASN A 62 -10.252 32.031 -16.862 1.00 0.00 O ATOM 966 CB ASN A 62 -12.264 32.256 -18.878 1.00 0.00 C ATOM 967 CG ASN A 62 -12.534 30.808 -18.463 1.00 0.00 C ATOM 968 OD1 ASN A 62 -13.626 30.478 -18.047 1.00 0.00 O ATOM 969 ND2 ASN A 62 -11.578 29.925 -18.559 1.00 0.00 N ATOM 0 H ASN A 62 -13.149 35.052 -17.343 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.958 32.792 -16.905 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.040 32.600 -19.562 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.316 32.322 -19.412 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.748 28.957 -18.285 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.661 30.202 -18.908 1.00 0.00 H new ATOM 976 N VAL A 63 -10.287 34.213 -16.629 1.00 0.00 N ATOM 977 CA VAL A 63 -8.933 34.211 -16.004 1.00 0.00 C ATOM 978 C VAL A 63 -8.984 35.010 -14.703 1.00 0.00 C ATOM 979 O VAL A 63 -9.960 35.671 -14.413 1.00 0.00 O ATOM 980 CB VAL A 63 -7.919 34.850 -16.957 1.00 0.00 C ATOM 981 CG1 VAL A 63 -7.761 33.972 -18.199 1.00 0.00 C ATOM 982 CG2 VAL A 63 -8.409 36.238 -17.373 1.00 0.00 C ATOM 0 H VAL A 63 -10.720 35.131 -16.725 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.629 33.185 -15.797 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.957 34.942 -16.452 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.039 34.427 -18.877 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.408 32.984 -17.904 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.723 33.878 -18.703 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.686 36.691 -18.051 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.372 36.148 -17.876 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.519 36.865 -16.488 1.00 0.00 H new ATOM 992 N TRP A 64 -7.947 34.963 -13.912 1.00 0.00 N ATOM 993 CA TRP A 64 -7.962 35.730 -12.637 1.00 0.00 C ATOM 994 C TRP A 64 -6.901 36.829 -12.689 1.00 0.00 C ATOM 995 O TRP A 64 -5.731 36.568 -12.891 1.00 0.00 O ATOM 996 CB TRP A 64 -7.672 34.790 -11.465 1.00 0.00 C ATOM 997 CG TRP A 64 -8.822 33.852 -11.286 1.00 0.00 C ATOM 998 CD1 TRP A 64 -9.007 32.708 -11.982 1.00 0.00 C ATOM 999 CD2 TRP A 64 -9.946 33.959 -10.365 1.00 0.00 C ATOM 1000 NE1 TRP A 64 -10.174 32.105 -11.548 1.00 0.00 N ATOM 1001 CE2 TRP A 64 -10.789 32.837 -10.552 1.00 0.00 C ATOM 1002 CE3 TRP A 64 -10.311 34.909 -9.396 1.00 0.00 C ATOM 1003 CZ2 TRP A 64 -11.953 32.665 -9.802 1.00 0.00 C ATOM 1004 CZ3 TRP A 64 -11.483 34.739 -8.639 1.00 0.00 C ATOM 1005 CH2 TRP A 64 -12.302 33.620 -8.844 1.00 0.00 C ATOM 0 H TRP A 64 -7.096 34.430 -14.093 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.945 36.182 -12.500 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.756 34.229 -11.652 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.512 35.366 -10.553 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.351 32.327 -12.751 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -10.536 31.226 -11.919 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.687 35.775 -9.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -12.580 31.800 -9.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -11.754 35.474 -7.896 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -13.203 33.496 -8.261 1.00 0.00 H new ATOM 1016 N GLU A 65 -7.302 38.056 -12.511 1.00 0.00 N ATOM 1017 CA GLU A 65 -6.321 39.174 -12.553 1.00 0.00 C ATOM 1018 C GLU A 65 -6.191 39.790 -11.159 1.00 0.00 C ATOM 1019 O GLU A 65 -7.139 39.837 -10.398 1.00 0.00 O ATOM 1020 CB GLU A 65 -6.803 40.239 -13.539 1.00 0.00 C ATOM 1021 CG GLU A 65 -7.257 39.565 -14.835 1.00 0.00 C ATOM 1022 CD GLU A 65 -7.686 40.633 -15.843 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -8.058 41.712 -15.411 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -7.635 40.354 -17.031 1.00 0.00 O ATOM 0 H GLU A 65 -8.268 38.333 -12.338 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.351 38.795 -12.875 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.626 40.807 -13.104 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.001 40.948 -13.746 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.447 38.965 -15.248 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.086 38.886 -14.633 1.00 0.00 H new ATOM 1031 N VAL A 66 -5.024 40.266 -10.824 1.00 0.00 N ATOM 1032 CA VAL A 66 -4.825 40.884 -9.485 1.00 0.00 C ATOM 1033 C VAL A 66 -4.016 42.172 -9.643 1.00 0.00 C ATOM 1034 O VAL A 66 -3.007 42.201 -10.319 1.00 0.00 O ATOM 1035 CB VAL A 66 -4.067 39.911 -8.578 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -2.612 39.808 -9.040 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -4.109 40.419 -7.136 1.00 0.00 C ATOM 0 H VAL A 66 -4.198 40.253 -11.422 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.793 41.111 -9.038 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.535 38.928 -8.631 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.073 39.115 -8.394 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.581 39.445 -10.067 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.144 40.791 -8.989 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.569 39.726 -6.490 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.642 41.403 -7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.145 40.491 -6.806 1.00 0.00 H new ATOM 1047 N LYS A 67 -4.447 43.240 -9.029 1.00 0.00 N ATOM 1048 CA LYS A 67 -3.691 44.518 -9.153 1.00 0.00 C ATOM 1049 C LYS A 67 -3.220 44.968 -7.770 1.00 0.00 C ATOM 1050 O LYS A 67 -3.979 45.011 -6.823 1.00 0.00 O ATOM 1051 CB LYS A 67 -4.589 45.593 -9.768 1.00 0.00 C ATOM 1052 CG LYS A 67 -4.970 45.186 -11.193 1.00 0.00 C ATOM 1053 CD LYS A 67 -5.747 46.324 -11.858 1.00 0.00 C ATOM 1054 CE LYS A 67 -6.286 45.851 -13.210 1.00 0.00 C ATOM 1055 NZ LYS A 67 -7.657 45.295 -13.030 1.00 0.00 N ATOM 0 H LYS A 67 -5.286 43.283 -8.450 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.826 44.365 -9.798 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.486 45.722 -9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.071 46.552 -9.779 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.073 44.958 -11.770 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.576 44.280 -11.174 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.570 46.640 -11.217 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.099 47.190 -11.995 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.308 46.682 -13.916 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.627 45.092 -13.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.024 44.973 -13.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.622 44.492 -12.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.283 46.032 -12.646 1.00 0.00 H new ATOM 1069 N SER A 68 -1.963 45.296 -7.652 1.00 0.00 N ATOM 1070 CA SER A 68 -1.418 45.740 -6.341 1.00 0.00 C ATOM 1071 C SER A 68 -0.896 47.171 -6.465 1.00 0.00 C ATOM 1072 O SER A 68 -0.362 47.559 -7.485 1.00 0.00 O ATOM 1073 CB SER A 68 -0.265 44.819 -5.940 1.00 0.00 C ATOM 1074 OG SER A 68 0.364 45.329 -4.775 1.00 0.00 O ATOM 0 H SER A 68 -1.286 45.275 -8.415 1.00 0.00 H new ATOM 0 HA SER A 68 -2.204 45.702 -5.587 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.638 43.812 -5.754 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.457 44.746 -6.754 1.00 0.00 H new ATOM 0 HG SER A 68 0.919 44.630 -4.370 1.00 0.00 H new ATOM 1080 N SER A 69 -1.038 47.958 -5.436 1.00 0.00 N ATOM 1081 CA SER A 69 -0.540 49.360 -5.503 1.00 0.00 C ATOM 1082 C SER A 69 0.991 49.349 -5.476 1.00 0.00 C ATOM 1083 O SER A 69 1.632 50.375 -5.597 1.00 0.00 O ATOM 1084 CB SER A 69 -1.068 50.148 -4.302 1.00 0.00 C ATOM 1085 OG SER A 69 -0.085 50.164 -3.277 1.00 0.00 O ATOM 0 H SER A 69 -1.476 47.693 -4.554 1.00 0.00 H new ATOM 0 HA SER A 69 -0.888 49.831 -6.423 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.313 51.167 -4.601 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.987 49.695 -3.932 1.00 0.00 H new ATOM 0 HG SER A 69 -0.422 50.670 -2.508 1.00 0.00 H new ATOM 1091 N LYS A 70 1.579 48.195 -5.319 1.00 0.00 N ATOM 1092 CA LYS A 70 3.066 48.106 -5.283 1.00 0.00 C ATOM 1093 C LYS A 70 3.522 46.968 -6.199 1.00 0.00 C ATOM 1094 O LYS A 70 2.720 46.184 -6.668 1.00 0.00 O ATOM 1095 CB LYS A 70 3.519 47.826 -3.848 1.00 0.00 C ATOM 1096 CG LYS A 70 3.565 49.140 -3.064 1.00 0.00 C ATOM 1097 CD LYS A 70 4.489 50.130 -3.777 1.00 0.00 C ATOM 1098 CE LYS A 70 4.838 51.276 -2.827 1.00 0.00 C ATOM 1099 NZ LYS A 70 4.847 52.561 -3.583 1.00 0.00 N ATOM 0 H LYS A 70 1.091 47.306 -5.214 1.00 0.00 H new ATOM 0 HA LYS A 70 3.503 49.044 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.834 47.127 -3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.503 47.357 -3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.563 49.559 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.922 48.958 -2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.398 49.625 -4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.002 50.520 -4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.112 51.324 -2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.813 51.102 -2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.084 53.342 -2.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.556 52.512 -4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.907 52.727 -3.996 1.00 0.00 H new ATOM 1113 N PRO A 71 4.836 46.873 -6.459 1.00 0.00 N ATOM 1114 CA PRO A 71 5.397 45.823 -7.321 1.00 0.00 C ATOM 1115 C PRO A 71 5.233 44.432 -6.702 1.00 0.00 C ATOM 1116 O PRO A 71 5.508 44.224 -5.536 1.00 0.00 O ATOM 1117 CB PRO A 71 6.877 46.194 -7.419 1.00 0.00 C ATOM 1118 CG PRO A 71 7.139 46.993 -6.188 1.00 0.00 C ATOM 1119 CD PRO A 71 5.880 47.772 -5.936 1.00 0.00 C ATOM 0 HA PRO A 71 4.897 45.772 -8.288 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.508 45.306 -7.459 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.083 46.772 -8.320 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.375 46.346 -5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.991 47.659 -6.327 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.739 47.983 -4.876 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.886 48.731 -6.454 1.00 0.00 H new ATOM 1127 N LEU A 72 4.781 43.481 -7.473 1.00 0.00 N ATOM 1128 CA LEU A 72 4.589 42.106 -6.933 1.00 0.00 C ATOM 1129 C LEU A 72 5.947 41.481 -6.615 1.00 0.00 C ATOM 1130 O LEU A 72 6.930 41.728 -7.283 1.00 0.00 O ATOM 1131 CB LEU A 72 3.866 41.244 -7.970 1.00 0.00 C ATOM 1132 CG LEU A 72 2.716 42.042 -8.589 1.00 0.00 C ATOM 1133 CD1 LEU A 72 2.745 41.881 -10.110 1.00 0.00 C ATOM 1134 CD2 LEU A 72 1.385 41.519 -8.046 1.00 0.00 C ATOM 0 H LEU A 72 4.536 43.598 -8.456 1.00 0.00 H new ATOM 0 HA LEU A 72 3.993 42.160 -6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.563 40.930 -8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.482 40.338 -7.501 1.00 0.00 H new ATOM 0 HG LEU A 72 2.825 43.096 -8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.926 42.449 -10.552 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.694 42.252 -10.497 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.635 40.827 -10.366 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.565 42.086 -8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.276 40.465 -8.303 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.364 41.632 -6.962 1.00 0.00 H new ATOM 1146 N VAL A 73 6.004 40.667 -5.596 1.00 0.00 N ATOM 1147 CA VAL A 73 7.292 40.019 -5.230 1.00 0.00 C ATOM 1148 C VAL A 73 7.112 38.499 -5.242 1.00 0.00 C ATOM 1149 O VAL A 73 6.259 37.960 -4.565 1.00 0.00 O ATOM 1150 CB VAL A 73 7.715 40.474 -3.832 1.00 0.00 C ATOM 1151 CG1 VAL A 73 9.047 39.819 -3.464 1.00 0.00 C ATOM 1152 CG2 VAL A 73 7.871 41.995 -3.817 1.00 0.00 C ATOM 0 H VAL A 73 5.212 40.424 -5.001 1.00 0.00 H new ATOM 0 HA VAL A 73 8.061 40.302 -5.948 1.00 0.00 H new ATOM 0 HB VAL A 73 6.955 40.180 -3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.349 40.143 -2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.935 38.735 -3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.808 40.112 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.172 42.320 -2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.631 42.290 -4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.921 42.461 -4.079 1.00 0.00 H new ATOM 1162 N GLY A 74 7.908 37.806 -6.007 1.00 0.00 N ATOM 1163 CA GLY A 74 7.783 36.321 -6.062 1.00 0.00 C ATOM 1164 C GLY A 74 8.733 35.691 -5.042 1.00 0.00 C ATOM 1165 O GLY A 74 9.621 36.339 -4.527 1.00 0.00 O ATOM 0 H GLY A 74 8.640 38.202 -6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.756 36.024 -5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.018 35.962 -7.064 1.00 0.00 H new ATOM 1169 N PRO A 75 8.536 34.397 -4.746 1.00 0.00 N ATOM 1170 CA PRO A 75 7.468 33.592 -5.355 1.00 0.00 C ATOM 1171 C PRO A 75 6.078 34.035 -4.887 1.00 0.00 C ATOM 1172 O PRO A 75 5.886 34.450 -3.763 1.00 0.00 O ATOM 1173 CB PRO A 75 7.764 32.175 -4.869 1.00 0.00 C ATOM 1174 CG PRO A 75 8.530 32.365 -3.604 1.00 0.00 C ATOM 1175 CD PRO A 75 9.341 33.616 -3.790 1.00 0.00 C ATOM 0 HA PRO A 75 7.454 33.687 -6.441 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.845 31.615 -4.696 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.344 31.617 -5.604 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.857 32.460 -2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.175 31.509 -3.407 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.480 34.150 -2.850 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.334 33.398 -4.183 1.00 0.00 H new ATOM 1183 N PHE A 76 5.112 33.957 -5.761 1.00 0.00 N ATOM 1184 CA PHE A 76 3.730 34.381 -5.404 1.00 0.00 C ATOM 1185 C PHE A 76 2.945 33.205 -4.817 1.00 0.00 C ATOM 1186 O PHE A 76 3.153 32.061 -5.178 1.00 0.00 O ATOM 1187 CB PHE A 76 3.022 34.873 -6.667 1.00 0.00 C ATOM 1188 CG PHE A 76 3.785 36.041 -7.243 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.845 37.250 -6.542 1.00 0.00 C ATOM 1190 CD2 PHE A 76 4.435 35.913 -8.477 1.00 0.00 C ATOM 1191 CE1 PHE A 76 4.554 38.333 -7.073 1.00 0.00 C ATOM 1192 CE2 PHE A 76 5.144 36.996 -9.009 1.00 0.00 C ATOM 1193 CZ PHE A 76 5.204 38.206 -8.307 1.00 0.00 C ATOM 0 H PHE A 76 5.223 33.614 -6.715 1.00 0.00 H new ATOM 0 HA PHE A 76 3.782 35.177 -4.661 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.959 34.068 -7.399 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.000 35.171 -6.432 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.344 37.348 -5.590 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.389 34.979 -9.018 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.600 39.266 -6.532 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.645 36.898 -9.961 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.752 39.042 -8.717 1.00 0.00 H new ATOM 1203 N ASN A 77 2.030 33.483 -3.929 1.00 0.00 N ATOM 1204 CA ASN A 77 1.210 32.393 -3.330 1.00 0.00 C ATOM 1205 C ASN A 77 -0.221 32.507 -3.862 1.00 0.00 C ATOM 1206 O ASN A 77 -0.740 33.591 -4.034 1.00 0.00 O ATOM 1207 CB ASN A 77 1.204 32.532 -1.806 1.00 0.00 C ATOM 1208 CG ASN A 77 2.640 32.673 -1.300 1.00 0.00 C ATOM 1209 OD1 ASN A 77 3.409 31.732 -1.344 1.00 0.00 O ATOM 1210 ND2 ASN A 77 3.038 33.819 -0.817 1.00 0.00 N ATOM 0 H ASN A 77 1.815 34.421 -3.592 1.00 0.00 H new ATOM 0 HA ASN A 77 1.630 31.423 -3.596 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.617 33.402 -1.512 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.732 31.661 -1.353 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.994 33.925 -0.477 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.393 34.608 -0.780 1.00 0.00 H new ATOM 1217 N PHE A 78 -0.865 31.405 -4.129 1.00 0.00 N ATOM 1218 CA PHE A 78 -2.260 31.471 -4.655 1.00 0.00 C ATOM 1219 C PHE A 78 -3.150 30.482 -3.890 1.00 0.00 C ATOM 1220 O PHE A 78 -2.901 29.293 -3.883 1.00 0.00 O ATOM 1221 CB PHE A 78 -2.260 31.100 -6.140 1.00 0.00 C ATOM 1222 CG PHE A 78 -1.597 32.194 -6.947 1.00 0.00 C ATOM 1223 CD1 PHE A 78 -2.361 33.253 -7.453 1.00 0.00 C ATOM 1224 CD2 PHE A 78 -0.221 32.143 -7.199 1.00 0.00 C ATOM 1225 CE1 PHE A 78 -1.748 34.260 -8.210 1.00 0.00 C ATOM 1226 CE2 PHE A 78 0.393 33.150 -7.955 1.00 0.00 C ATOM 1227 CZ PHE A 78 -0.371 34.209 -8.462 1.00 0.00 C ATOM 0 H PHE A 78 -0.489 30.465 -4.007 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.645 32.482 -4.525 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.733 30.158 -6.288 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.283 30.951 -6.486 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.423 33.293 -7.260 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.368 31.326 -6.810 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.338 35.077 -8.600 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.455 33.110 -8.147 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.101 34.985 -9.046 1.00 0.00 H new ATOM 1237 N ARG A 79 -4.190 30.958 -3.254 1.00 0.00 N ATOM 1238 CA ARG A 79 -5.090 30.030 -2.505 1.00 0.00 C ATOM 1239 C ARG A 79 -6.374 29.824 -3.312 1.00 0.00 C ATOM 1240 O ARG A 79 -6.852 30.722 -3.977 1.00 0.00 O ATOM 1241 CB ARG A 79 -5.420 30.619 -1.133 1.00 0.00 C ATOM 1242 CG ARG A 79 -6.529 29.795 -0.475 1.00 0.00 C ATOM 1243 CD ARG A 79 -6.980 30.487 0.812 1.00 0.00 C ATOM 1244 NE ARG A 79 -5.787 30.832 1.634 1.00 0.00 N ATOM 1245 CZ ARG A 79 -5.916 31.598 2.682 1.00 0.00 C ATOM 1246 NH1 ARG A 79 -7.045 32.213 2.907 1.00 0.00 N ATOM 1247 NH2 ARG A 79 -4.915 31.752 3.506 1.00 0.00 N ATOM 0 H ARG A 79 -4.454 31.943 -3.221 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.592 29.071 -2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.531 30.620 -0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.737 31.657 -1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.372 29.688 -1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.168 28.790 -0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.544 31.389 0.574 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.646 29.833 1.375 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.869 30.469 1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.827 32.095 2.263 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.145 32.812 3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.032 31.273 3.330 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.016 32.351 4.325 1.00 0.00 H new ATOM 1261 N PHE A 80 -6.916 28.635 -3.292 1.00 0.00 N ATOM 1262 CA PHE A 80 -8.143 28.358 -4.093 1.00 0.00 C ATOM 1263 C PHE A 80 -9.267 27.788 -3.226 1.00 0.00 C ATOM 1264 O PHE A 80 -9.036 27.018 -2.319 1.00 0.00 O ATOM 1265 CB PHE A 80 -7.793 27.324 -5.157 1.00 0.00 C ATOM 1266 CG PHE A 80 -7.138 28.017 -6.324 1.00 0.00 C ATOM 1267 CD1 PHE A 80 -5.842 28.530 -6.191 1.00 0.00 C ATOM 1268 CD2 PHE A 80 -7.823 28.153 -7.534 1.00 0.00 C ATOM 1269 CE1 PHE A 80 -5.233 29.179 -7.270 1.00 0.00 C ATOM 1270 CE2 PHE A 80 -7.214 28.802 -8.614 1.00 0.00 C ATOM 1271 CZ PHE A 80 -5.919 29.314 -8.482 1.00 0.00 C ATOM 0 H PHE A 80 -6.561 27.844 -2.755 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.487 29.294 -4.532 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -7.123 26.571 -4.743 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.693 26.804 -5.486 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.313 28.425 -5.256 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.823 27.757 -7.636 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.234 29.576 -7.168 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.744 28.908 -9.549 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.448 29.814 -9.316 1.00 0.00 H new ATOM 1281 N MET A 81 -10.489 28.145 -3.519 1.00 0.00 N ATOM 1282 CA MET A 81 -11.636 27.603 -2.736 1.00 0.00 C ATOM 1283 C MET A 81 -12.648 26.998 -3.710 1.00 0.00 C ATOM 1284 O MET A 81 -13.067 27.631 -4.658 1.00 0.00 O ATOM 1285 CB MET A 81 -12.293 28.719 -1.921 1.00 0.00 C ATOM 1286 CG MET A 81 -13.638 28.229 -1.379 1.00 0.00 C ATOM 1287 SD MET A 81 -14.452 29.573 -0.481 1.00 0.00 S ATOM 1288 CE MET A 81 -14.351 28.837 1.168 1.00 0.00 C ATOM 0 H MET A 81 -10.742 28.790 -4.268 1.00 0.00 H new ATOM 0 HA MET A 81 -11.283 26.838 -2.045 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.643 29.014 -1.098 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.439 29.601 -2.544 1.00 0.00 H new ATOM 0 HG2 MET A 81 -14.271 27.890 -2.199 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.487 27.375 -0.719 1.00 0.00 H new ATOM 0 HE1 MET A 81 -15.291 28.996 1.696 1.00 0.00 H new ATOM 0 HE2 MET A 81 -14.162 27.767 1.078 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.539 29.303 1.725 1.00 0.00 H new ATOM 1298 N SER A 82 -13.020 25.761 -3.503 1.00 0.00 N ATOM 1299 CA SER A 82 -13.974 25.103 -4.437 1.00 0.00 C ATOM 1300 C SER A 82 -15.399 25.602 -4.183 1.00 0.00 C ATOM 1301 O SER A 82 -15.781 25.865 -3.059 1.00 0.00 O ATOM 1302 CB SER A 82 -13.927 23.590 -4.217 1.00 0.00 C ATOM 1303 OG SER A 82 -14.675 23.257 -3.057 1.00 0.00 O ATOM 0 H SER A 82 -12.703 25.180 -2.727 1.00 0.00 H new ATOM 0 HA SER A 82 -13.691 25.345 -5.461 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.334 23.073 -5.086 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.894 23.260 -4.104 1.00 0.00 H new ATOM 0 HG SER A 82 -15.476 22.756 -3.317 1.00 0.00 H new ATOM 1309 N LYS A 83 -16.192 25.706 -5.214 1.00 0.00 N ATOM 1310 CA LYS A 83 -17.600 26.162 -5.027 1.00 0.00 C ATOM 1311 C LYS A 83 -18.243 25.337 -3.908 1.00 0.00 C ATOM 1312 O LYS A 83 -18.940 25.857 -3.060 1.00 0.00 O ATOM 1313 CB LYS A 83 -18.382 25.966 -6.327 1.00 0.00 C ATOM 1314 CG LYS A 83 -17.758 26.818 -7.434 1.00 0.00 C ATOM 1315 CD LYS A 83 -18.652 26.775 -8.675 1.00 0.00 C ATOM 1316 CE LYS A 83 -18.147 27.788 -9.705 1.00 0.00 C ATOM 1317 NZ LYS A 83 -18.483 27.310 -11.077 1.00 0.00 N ATOM 0 H LYS A 83 -15.927 25.496 -6.176 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.614 27.219 -4.761 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.372 24.915 -6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.425 26.247 -6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.640 27.847 -7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.763 26.446 -7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.649 25.773 -9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -19.683 27.002 -8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -18.602 28.762 -9.526 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -17.069 27.916 -9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.140 27.998 -11.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -18.029 26.389 -11.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.514 27.209 -11.167 1.00 0.00 H new ATOM 1331 N GLY A 84 -18.012 24.050 -3.903 1.00 0.00 N ATOM 1332 CA GLY A 84 -18.605 23.181 -2.843 1.00 0.00 C ATOM 1333 C GLY A 84 -18.199 23.693 -1.455 1.00 0.00 C ATOM 1334 O GLY A 84 -18.621 23.168 -0.444 1.00 0.00 O ATOM 0 H GLY A 84 -17.437 23.562 -4.589 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.691 23.174 -2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.267 22.153 -2.973 1.00 0.00 H new ATOM 1338 N GLY A 85 -17.396 24.722 -1.396 1.00 0.00 N ATOM 1339 CA GLY A 85 -16.981 25.268 -0.074 1.00 0.00 C ATOM 1340 C GLY A 85 -15.665 24.626 0.367 1.00 0.00 C ATOM 1341 O GLY A 85 -15.369 24.546 1.543 1.00 0.00 O ATOM 0 H GLY A 85 -17.010 25.207 -2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.864 26.350 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.756 25.075 0.668 1.00 0.00 H new ATOM 1345 N MET A 86 -14.867 24.173 -0.561 1.00 0.00 N ATOM 1346 CA MET A 86 -13.569 23.548 -0.174 1.00 0.00 C ATOM 1347 C MET A 86 -12.447 24.556 -0.415 1.00 0.00 C ATOM 1348 O MET A 86 -12.552 25.416 -1.262 1.00 0.00 O ATOM 1349 CB MET A 86 -13.323 22.293 -1.013 1.00 0.00 C ATOM 1350 CG MET A 86 -14.574 21.413 -0.995 1.00 0.00 C ATOM 1351 SD MET A 86 -14.124 19.716 -1.440 1.00 0.00 S ATOM 1352 CE MET A 86 -13.034 20.127 -2.824 1.00 0.00 C ATOM 0 H MET A 86 -15.055 24.208 -1.563 1.00 0.00 H new ATOM 0 HA MET A 86 -13.597 23.266 0.879 1.00 0.00 H new ATOM 0 HB2 MET A 86 -13.076 22.571 -2.038 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.471 21.740 -0.618 1.00 0.00 H new ATOM 0 HG2 MET A 86 -15.031 21.432 -0.006 1.00 0.00 H new ATOM 0 HG3 MET A 86 -15.314 21.800 -1.695 1.00 0.00 H new ATOM 0 HE1 MET A 86 -12.948 19.267 -3.488 1.00 0.00 H new ATOM 0 HE2 MET A 86 -13.449 20.971 -3.376 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.047 20.392 -2.444 1.00 0.00 H new ATOM 1362 N ARG A 87 -11.383 24.480 0.334 1.00 0.00 N ATOM 1363 CA ARG A 87 -10.281 25.463 0.137 1.00 0.00 C ATOM 1364 C ARG A 87 -8.953 24.741 -0.103 1.00 0.00 C ATOM 1365 O ARG A 87 -8.648 23.746 0.524 1.00 0.00 O ATOM 1366 CB ARG A 87 -10.158 26.342 1.383 1.00 0.00 C ATOM 1367 CG ARG A 87 -11.461 27.118 1.589 1.00 0.00 C ATOM 1368 CD ARG A 87 -11.364 27.945 2.871 1.00 0.00 C ATOM 1369 NE ARG A 87 -10.545 29.163 2.616 1.00 0.00 N ATOM 1370 CZ ARG A 87 -10.428 30.076 3.541 1.00 0.00 C ATOM 1371 NH1 ARG A 87 -11.495 30.640 4.038 1.00 0.00 N ATOM 1372 NH2 ARG A 87 -9.247 30.426 3.969 1.00 0.00 N ATOM 0 H ARG A 87 -11.229 23.788 1.067 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.511 26.077 -0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.947 25.726 2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.323 27.034 1.272 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.647 27.770 0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.302 26.427 1.652 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -12.361 28.228 3.210 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.914 27.351 3.666 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.076 29.283 1.718 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -12.419 30.367 3.703 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.405 31.354 4.761 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.413 29.986 3.581 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.157 31.140 4.692 1.00 0.00 H new ATOM 1386 N ASN A 88 -8.152 25.261 -0.993 1.00 0.00 N ATOM 1387 CA ASN A 88 -6.826 24.643 -1.268 1.00 0.00 C ATOM 1388 C ASN A 88 -5.789 25.764 -1.335 1.00 0.00 C ATOM 1389 O ASN A 88 -6.050 26.827 -1.861 1.00 0.00 O ATOM 1390 CB ASN A 88 -6.869 23.888 -2.598 1.00 0.00 C ATOM 1391 CG ASN A 88 -8.078 22.949 -2.611 1.00 0.00 C ATOM 1392 OD1 ASN A 88 -9.134 23.307 -3.092 1.00 0.00 O ATOM 1393 ND2 ASN A 88 -7.966 21.753 -2.101 1.00 0.00 N ATOM 0 H ASN A 88 -8.362 26.093 -1.544 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.566 23.935 -0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.933 24.593 -3.427 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.950 23.318 -2.735 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.765 21.119 -2.107 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.079 21.452 -1.697 1.00 0.00 H new ATOM 1400 N VAL A 89 -4.624 25.552 -0.793 1.00 0.00 N ATOM 1401 CA VAL A 89 -3.596 26.629 -0.819 1.00 0.00 C ATOM 1402 C VAL A 89 -2.326 26.135 -1.509 1.00 0.00 C ATOM 1403 O VAL A 89 -1.869 25.033 -1.282 1.00 0.00 O ATOM 1404 CB VAL A 89 -3.262 27.044 0.615 1.00 0.00 C ATOM 1405 CG1 VAL A 89 -2.330 28.258 0.592 1.00 0.00 C ATOM 1406 CG2 VAL A 89 -4.552 27.406 1.354 1.00 0.00 C ATOM 0 H VAL A 89 -4.339 24.686 -0.336 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.991 27.481 -1.372 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.769 26.217 1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.092 28.554 1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.411 28.001 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.822 29.085 0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.315 27.702 2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.045 28.232 0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.216 26.542 1.371 1.00 0.00 H new ATOM 1416 N PHE A 90 -1.745 26.954 -2.340 1.00 0.00 N ATOM 1417 CA PHE A 90 -0.495 26.551 -3.038 1.00 0.00 C ATOM 1418 C PHE A 90 0.578 27.606 -2.771 1.00 0.00 C ATOM 1419 O PHE A 90 0.396 28.774 -3.051 1.00 0.00 O ATOM 1420 CB PHE A 90 -0.751 26.449 -4.543 1.00 0.00 C ATOM 1421 CG PHE A 90 -1.821 25.416 -4.804 1.00 0.00 C ATOM 1422 CD1 PHE A 90 -1.487 24.057 -4.850 1.00 0.00 C ATOM 1423 CD2 PHE A 90 -3.147 25.818 -5.003 1.00 0.00 C ATOM 1424 CE1 PHE A 90 -2.479 23.100 -5.093 1.00 0.00 C ATOM 1425 CE2 PHE A 90 -4.139 24.860 -5.246 1.00 0.00 C ATOM 1426 CZ PHE A 90 -3.805 23.501 -5.292 1.00 0.00 C ATOM 0 H PHE A 90 -2.084 27.889 -2.566 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.163 25.580 -2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.062 27.417 -4.936 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.168 26.175 -5.061 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.464 23.747 -4.698 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.405 26.866 -4.969 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.221 22.052 -5.127 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.162 25.170 -5.398 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.570 22.763 -5.481 1.00 0.00 H new ATOM 1436 N ASP A 91 1.692 27.210 -2.221 1.00 0.00 N ATOM 1437 CA ASP A 91 2.765 28.199 -1.929 1.00 0.00 C ATOM 1438 C ASP A 91 3.834 28.142 -3.020 1.00 0.00 C ATOM 1439 O ASP A 91 4.102 27.104 -3.592 1.00 0.00 O ATOM 1440 CB ASP A 91 3.401 27.879 -0.574 1.00 0.00 C ATOM 1441 CG ASP A 91 2.322 27.884 0.510 1.00 0.00 C ATOM 1442 OD1 ASP A 91 1.525 28.808 0.520 1.00 0.00 O ATOM 1443 OD2 ASP A 91 2.312 26.965 1.311 1.00 0.00 O ATOM 0 H ASP A 91 1.905 26.247 -1.962 1.00 0.00 H new ATOM 0 HA ASP A 91 2.333 29.199 -1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.890 26.906 -0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.171 28.614 -0.339 1.00 0.00 H new ATOM 1448 N GLU A 92 4.455 29.253 -3.302 1.00 0.00 N ATOM 1449 CA GLU A 92 5.516 29.279 -4.343 1.00 0.00 C ATOM 1450 C GLU A 92 4.996 28.677 -5.649 1.00 0.00 C ATOM 1451 O GLU A 92 5.592 27.773 -6.201 1.00 0.00 O ATOM 1452 CB GLU A 92 6.718 28.468 -3.858 1.00 0.00 C ATOM 1453 CG GLU A 92 7.341 29.157 -2.641 1.00 0.00 C ATOM 1454 CD GLU A 92 8.463 28.283 -2.079 1.00 0.00 C ATOM 1455 OE1 GLU A 92 8.598 27.159 -2.535 1.00 0.00 O ATOM 1456 OE2 GLU A 92 9.169 28.752 -1.201 1.00 0.00 O ATOM 0 H GLU A 92 4.271 30.150 -2.852 1.00 0.00 H new ATOM 0 HA GLU A 92 5.810 30.313 -4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.406 27.457 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.455 28.378 -4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.733 30.134 -2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.582 29.328 -1.878 1.00 0.00 H new ATOM 1463 N VAL A 93 3.897 29.166 -6.159 1.00 0.00 N ATOM 1464 CA VAL A 93 3.368 28.611 -7.437 1.00 0.00 C ATOM 1465 C VAL A 93 4.052 29.315 -8.609 1.00 0.00 C ATOM 1466 O VAL A 93 4.302 28.726 -9.642 1.00 0.00 O ATOM 1467 CB VAL A 93 1.858 28.845 -7.511 1.00 0.00 C ATOM 1468 CG1 VAL A 93 1.348 28.449 -8.899 1.00 0.00 C ATOM 1469 CG2 VAL A 93 1.156 27.998 -6.448 1.00 0.00 C ATOM 0 H VAL A 93 3.347 29.920 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 93 3.569 27.541 -7.483 1.00 0.00 H new ATOM 0 HB VAL A 93 1.645 29.899 -7.333 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.272 28.615 -8.952 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.847 29.054 -9.656 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.561 27.395 -9.078 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.080 28.165 -6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.368 26.944 -6.624 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.518 28.281 -5.460 1.00 0.00 H new ATOM 1479 N ILE A 94 4.362 30.573 -8.454 1.00 0.00 N ATOM 1480 CA ILE A 94 5.035 31.320 -9.552 1.00 0.00 C ATOM 1481 C ILE A 94 6.160 32.172 -8.958 1.00 0.00 C ATOM 1482 O ILE A 94 5.943 32.956 -8.056 1.00 0.00 O ATOM 1483 CB ILE A 94 4.017 32.225 -10.251 1.00 0.00 C ATOM 1484 CG1 ILE A 94 2.840 31.380 -10.744 1.00 0.00 C ATOM 1485 CG2 ILE A 94 4.685 32.918 -11.442 1.00 0.00 C ATOM 1486 CD1 ILE A 94 1.910 32.243 -11.599 1.00 0.00 C ATOM 0 H ILE A 94 4.177 31.117 -7.611 1.00 0.00 H new ATOM 0 HA ILE A 94 5.449 30.620 -10.277 1.00 0.00 H new ATOM 0 HB ILE A 94 3.655 32.977 -9.550 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.205 30.534 -11.327 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.293 30.970 -9.895 1.00 0.00 H new ATOM 0 HG21 ILE A 94 3.961 33.563 -11.941 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.524 33.518 -11.090 1.00 0.00 H new ATOM 0 HG23 ILE A 94 5.046 32.167 -12.144 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.073 31.639 -11.949 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.534 33.074 -11.002 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.460 32.632 -12.456 1.00 0.00 H new ATOM 1498 N PRO A 95 7.388 32.005 -9.471 1.00 0.00 N ATOM 1499 CA PRO A 95 8.554 32.752 -8.983 1.00 0.00 C ATOM 1500 C PRO A 95 8.477 34.236 -9.354 1.00 0.00 C ATOM 1501 O PRO A 95 7.723 34.634 -10.220 1.00 0.00 O ATOM 1502 CB PRO A 95 9.731 32.088 -9.697 1.00 0.00 C ATOM 1503 CG PRO A 95 9.136 31.493 -10.928 1.00 0.00 C ATOM 1504 CD PRO A 95 7.738 31.078 -10.561 1.00 0.00 C ATOM 0 HA PRO A 95 8.632 32.725 -7.896 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.507 32.814 -9.942 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.195 31.325 -9.072 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.126 32.216 -11.744 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.719 30.637 -11.268 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.055 31.173 -11.405 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.699 30.039 -10.234 1.00 0.00 H new ATOM 1512 N THR A 96 9.247 35.058 -8.695 1.00 0.00 N ATOM 1513 CA THR A 96 9.219 36.517 -8.997 1.00 0.00 C ATOM 1514 C THR A 96 9.398 36.739 -10.500 1.00 0.00 C ATOM 1515 O THR A 96 8.698 37.527 -11.105 1.00 0.00 O ATOM 1516 CB THR A 96 10.348 37.216 -8.239 1.00 0.00 C ATOM 1517 OG1 THR A 96 10.252 36.907 -6.856 1.00 0.00 O ATOM 1518 CG2 THR A 96 10.236 38.729 -8.434 1.00 0.00 C ATOM 0 H THR A 96 9.896 34.781 -7.958 1.00 0.00 H new ATOM 0 HA THR A 96 8.260 36.930 -8.685 1.00 0.00 H new ATOM 0 HB THR A 96 11.309 36.872 -8.622 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.976 37.354 -6.370 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.041 39.226 -7.893 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.311 38.966 -9.495 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.275 39.075 -8.053 1.00 0.00 H new ATOM 1526 N ALA A 97 10.329 36.057 -11.110 1.00 0.00 N ATOM 1527 CA ALA A 97 10.541 36.247 -12.572 1.00 0.00 C ATOM 1528 C ALA A 97 9.682 35.243 -13.344 1.00 0.00 C ATOM 1529 O ALA A 97 10.018 34.081 -13.455 1.00 0.00 O ATOM 1530 CB ALA A 97 12.017 36.026 -12.912 1.00 0.00 C ATOM 0 H ALA A 97 10.948 35.381 -10.662 1.00 0.00 H new ATOM 0 HA ALA A 97 10.256 37.262 -12.851 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.169 36.166 -13.982 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.628 36.742 -12.362 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.307 35.013 -12.634 1.00 0.00 H new ATOM 1536 N PHE A 98 8.576 35.681 -13.876 1.00 0.00 N ATOM 1537 CA PHE A 98 7.697 34.750 -14.638 1.00 0.00 C ATOM 1538 C PHE A 98 7.764 35.092 -16.126 1.00 0.00 C ATOM 1539 O PHE A 98 7.994 36.224 -16.503 1.00 0.00 O ATOM 1540 CB PHE A 98 6.255 34.894 -14.146 1.00 0.00 C ATOM 1541 CG PHE A 98 5.802 36.322 -14.334 1.00 0.00 C ATOM 1542 CD1 PHE A 98 6.060 37.275 -13.342 1.00 0.00 C ATOM 1543 CD2 PHE A 98 5.125 36.693 -15.503 1.00 0.00 C ATOM 1544 CE1 PHE A 98 5.641 38.599 -13.517 1.00 0.00 C ATOM 1545 CE2 PHE A 98 4.706 38.017 -15.678 1.00 0.00 C ATOM 1546 CZ PHE A 98 4.964 38.971 -14.685 1.00 0.00 C ATOM 0 H PHE A 98 8.242 36.643 -13.817 1.00 0.00 H new ATOM 0 HA PHE A 98 8.033 33.724 -14.485 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.602 34.218 -14.697 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.188 34.615 -13.094 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.583 36.989 -12.441 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.926 35.958 -16.269 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.840 39.334 -12.751 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.184 38.303 -16.579 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.641 39.993 -14.820 1.00 0.00 H new ATOM 1556 N SER A 99 7.561 34.123 -16.976 1.00 0.00 N ATOM 1557 CA SER A 99 7.611 34.394 -18.438 1.00 0.00 C ATOM 1558 C SER A 99 6.190 34.392 -18.999 1.00 0.00 C ATOM 1559 O SER A 99 5.247 34.022 -18.326 1.00 0.00 O ATOM 1560 CB SER A 99 8.437 33.308 -19.131 1.00 0.00 C ATOM 1561 OG SER A 99 7.905 32.032 -18.809 1.00 0.00 O ATOM 0 H SER A 99 7.363 33.156 -16.720 1.00 0.00 H new ATOM 0 HA SER A 99 8.072 35.366 -18.615 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.422 33.458 -20.211 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.478 33.370 -18.815 1.00 0.00 H new ATOM 0 HG SER A 99 8.432 31.336 -19.254 1.00 0.00 H new ATOM 1567 N ILE A 100 6.025 34.800 -20.225 1.00 0.00 N ATOM 1568 CA ILE A 100 4.660 34.816 -20.821 1.00 0.00 C ATOM 1569 C ILE A 100 4.522 33.652 -21.805 1.00 0.00 C ATOM 1570 O ILE A 100 5.406 33.388 -22.596 1.00 0.00 O ATOM 1571 CB ILE A 100 4.436 36.140 -21.555 1.00 0.00 C ATOM 1572 CG1 ILE A 100 4.354 37.281 -20.538 1.00 0.00 C ATOM 1573 CG2 ILE A 100 3.130 36.070 -22.348 1.00 0.00 C ATOM 1574 CD1 ILE A 100 3.027 37.196 -19.780 1.00 0.00 C ATOM 0 H ILE A 100 6.773 35.122 -20.839 1.00 0.00 H new ATOM 0 HA ILE A 100 3.916 34.713 -20.031 1.00 0.00 H new ATOM 0 HB ILE A 100 5.266 36.321 -22.238 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.188 37.220 -19.839 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.433 38.242 -21.047 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.971 37.013 -22.871 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.188 35.258 -23.073 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.299 35.888 -21.666 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.969 38.009 -19.056 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.200 37.278 -20.485 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.966 36.241 -19.259 1.00 0.00 H new ATOM 1586 N GLY A 101 3.417 32.959 -21.767 1.00 0.00 N ATOM 1587 CA GLY A 101 3.221 31.818 -22.705 1.00 0.00 C ATOM 1588 C GLY A 101 3.694 30.521 -22.047 1.00 0.00 C ATOM 1589 O GLY A 101 3.785 29.490 -22.684 1.00 0.00 O ATOM 0 H GLY A 101 2.642 33.134 -21.127 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.169 31.736 -22.978 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.776 31.993 -23.626 1.00 0.00 H new ATOM 1593 N LYS A 102 3.993 30.559 -20.778 1.00 0.00 N ATOM 1594 CA LYS A 102 4.455 29.320 -20.092 1.00 0.00 C ATOM 1595 C LYS A 102 3.468 28.964 -18.979 1.00 0.00 C ATOM 1596 O LYS A 102 2.928 29.829 -18.319 1.00 0.00 O ATOM 1597 CB LYS A 102 5.844 29.553 -19.494 1.00 0.00 C ATOM 1598 CG LYS A 102 6.524 28.206 -19.243 1.00 0.00 C ATOM 1599 CD LYS A 102 7.712 28.401 -18.297 1.00 0.00 C ATOM 1600 CE LYS A 102 8.301 27.036 -17.934 1.00 0.00 C ATOM 1601 NZ LYS A 102 9.655 27.220 -17.338 1.00 0.00 N ATOM 0 H LYS A 102 3.938 31.390 -20.189 1.00 0.00 H new ATOM 0 HA LYS A 102 4.507 28.501 -20.809 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.447 30.156 -20.173 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.761 30.110 -18.561 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.813 27.503 -18.810 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.863 27.777 -20.186 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.471 29.022 -18.772 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.391 28.923 -17.395 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.648 26.523 -17.228 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.366 26.408 -18.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.055 26.292 -17.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.276 27.693 -18.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.580 27.804 -16.480 1.00 0.00 H new ATOM 1615 N THR A 103 3.219 27.700 -18.764 1.00 0.00 N ATOM 1616 CA THR A 103 2.258 27.313 -17.694 1.00 0.00 C ATOM 1617 C THR A 103 2.948 27.441 -16.335 1.00 0.00 C ATOM 1618 O THR A 103 4.151 27.594 -16.262 1.00 0.00 O ATOM 1619 CB THR A 103 1.818 25.863 -17.904 1.00 0.00 C ATOM 1620 OG1 THR A 103 1.394 25.690 -19.250 1.00 0.00 O ATOM 1621 CG2 THR A 103 0.663 25.536 -16.957 1.00 0.00 C ATOM 0 H THR A 103 3.636 26.925 -19.279 1.00 0.00 H new ATOM 0 HA THR A 103 1.385 27.965 -17.729 1.00 0.00 H new ATOM 0 HB THR A 103 2.654 25.195 -17.697 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.113 24.761 -19.388 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.350 24.503 -17.108 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.989 25.670 -15.926 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.175 26.202 -17.162 1.00 0.00 H new ATOM 1629 N TYR A 104 2.219 27.367 -15.254 1.00 0.00 N ATOM 1630 CA TYR A 104 2.873 27.472 -13.922 1.00 0.00 C ATOM 1631 C TYR A 104 2.006 26.755 -12.886 1.00 0.00 C ATOM 1632 O TYR A 104 1.049 27.303 -12.376 1.00 0.00 O ATOM 1633 CB TYR A 104 3.029 28.944 -13.542 1.00 0.00 C ATOM 1634 CG TYR A 104 4.262 29.496 -14.213 1.00 0.00 C ATOM 1635 CD1 TYR A 104 5.528 29.045 -13.826 1.00 0.00 C ATOM 1636 CD2 TYR A 104 4.138 30.454 -15.227 1.00 0.00 C ATOM 1637 CE1 TYR A 104 6.673 29.551 -14.450 1.00 0.00 C ATOM 1638 CE2 TYR A 104 5.285 30.961 -15.852 1.00 0.00 C ATOM 1639 CZ TYR A 104 6.551 30.509 -15.463 1.00 0.00 C ATOM 1640 OH TYR A 104 7.681 31.009 -16.079 1.00 0.00 O ATOM 0 H TYR A 104 1.207 27.239 -15.237 1.00 0.00 H new ATOM 0 HA TYR A 104 3.860 27.010 -13.955 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.148 29.508 -13.850 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.111 29.047 -12.460 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.622 28.305 -13.045 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.160 30.801 -15.527 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.650 29.203 -14.150 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.192 31.700 -16.634 1.00 0.00 H new ATOM 0 HH TYR A 104 7.478 31.218 -17.015 1.00 0.00 H new ATOM 1650 N LYS A 105 2.326 25.528 -12.580 1.00 0.00 N ATOM 1651 CA LYS A 105 1.512 24.772 -11.588 1.00 0.00 C ATOM 1652 C LYS A 105 2.246 24.721 -10.246 1.00 0.00 C ATOM 1653 O LYS A 105 3.442 24.917 -10.173 1.00 0.00 O ATOM 1654 CB LYS A 105 1.286 23.347 -12.097 1.00 0.00 C ATOM 1655 CG LYS A 105 0.891 23.390 -13.575 1.00 0.00 C ATOM 1656 CD LYS A 105 1.652 22.301 -14.337 1.00 0.00 C ATOM 1657 CE LYS A 105 3.141 22.648 -14.371 1.00 0.00 C ATOM 1658 NZ LYS A 105 3.373 23.749 -15.347 1.00 0.00 N ATOM 0 H LYS A 105 3.116 25.017 -12.974 1.00 0.00 H new ATOM 0 HA LYS A 105 0.552 25.271 -11.455 1.00 0.00 H new ATOM 0 HB2 LYS A 105 2.193 22.756 -11.969 1.00 0.00 H new ATOM 0 HB3 LYS A 105 0.503 22.861 -11.514 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -0.183 23.240 -13.680 1.00 0.00 H new ATOM 0 HG3 LYS A 105 1.118 24.370 -13.995 1.00 0.00 H new ATOM 0 HD2 LYS A 105 1.504 21.334 -13.856 1.00 0.00 H new ATOM 0 HD3 LYS A 105 1.265 22.214 -15.352 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.477 22.950 -13.379 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.723 21.770 -14.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.386 23.804 -15.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 2.833 23.562 -16.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.062 24.651 -14.933 1.00 0.00 H new ATOM 1672 N PRO A 106 1.502 24.449 -9.164 1.00 0.00 N ATOM 1673 CA PRO A 106 2.067 24.368 -7.811 1.00 0.00 C ATOM 1674 C PRO A 106 2.953 23.130 -7.635 1.00 0.00 C ATOM 1675 O PRO A 106 2.702 22.088 -8.207 1.00 0.00 O ATOM 1676 CB PRO A 106 0.833 24.258 -6.915 1.00 0.00 C ATOM 1677 CG PRO A 106 -0.222 23.676 -7.795 1.00 0.00 C ATOM 1678 CD PRO A 106 0.048 24.202 -9.176 1.00 0.00 C ATOM 0 HA PRO A 106 2.703 25.223 -7.582 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.025 23.620 -6.052 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.534 25.233 -6.530 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.185 22.587 -7.779 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.216 23.966 -7.455 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.232 23.480 -9.944 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.514 25.114 -9.376 1.00 0.00 H new