USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=23 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 82 SER OG : rot 87:sc= -3.92! USER MOD Set 1.2: A 86 MET CE :methyl -163:sc= -0.949 (180deg=-2.26!) USER MOD Set 2.1: A 69 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 70 LYS NZ :NH3+ -171:sc= -0.082 (180deg=-0.163) USER MOD Set 3.1: A 48 GLN :FLIP amide:sc= -0.292 F(o=-2.6!,f=0.71) USER MOD Set 3.2: A 68 SER OG : rot 171:sc= 1 USER MOD Set 4.1: A 33 LYS NZ :NH3+ -179:sc= 0.00301 (180deg=0) USER MOD Set 4.2: A 35 THR OG1 : rot 160:sc= 0.00439 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 20 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.26) USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= -0.0416 (180deg=-0.377) USER MOD Single : A 23 SER OG : rot -120:sc= -3.37! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= -0.149 (180deg=-0.528) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 5:sc= 0.568 USER MOD Single : A 49 HIS : no HD1:sc=-9.02e-05 X(o=-9e-05,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.277 K(o=-0.28,f=-2.7!) USER MOD Single : A 67 LYS NZ :NH3+ -126:sc= 0.913 (180deg=-0.131) USER MOD Single : A 77 ASN : amide:sc= 0.0202 K(o=0.02,f=-2.3!) USER MOD Single : A 81 MET CE :methyl -139:sc= -3.01! (180deg=-5.55!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : A 96 THR OG1 : rot 180:sc= -5.19! 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 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 175 N VAL A 13 -7.038 16.569 -7.777 1.00 0.00 N ATOM 176 CA VAL A 13 -7.400 17.858 -8.434 1.00 0.00 C ATOM 177 C VAL A 13 -6.241 18.325 -9.315 1.00 0.00 C ATOM 178 O VAL A 13 -5.104 18.367 -8.887 1.00 0.00 O ATOM 179 CB VAL A 13 -7.679 18.911 -7.361 1.00 0.00 C ATOM 180 CG1 VAL A 13 -8.122 20.215 -8.028 1.00 0.00 C ATOM 181 CG2 VAL A 13 -8.787 18.410 -6.433 1.00 0.00 C ATOM 0 HA VAL A 13 -8.289 17.717 -9.049 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.773 19.090 -6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.321 20.966 -7.263 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.333 20.572 -8.690 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.028 20.038 -8.607 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.987 19.160 -5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.693 18.232 -7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.471 17.481 -5.958 1.00 0.00 H new ATOM 191 N GLN A 14 -6.514 18.682 -10.539 1.00 0.00 N ATOM 192 CA GLN A 14 -5.420 19.151 -11.432 1.00 0.00 C ATOM 193 C GLN A 14 -5.548 20.662 -11.630 1.00 0.00 C ATOM 194 O GLN A 14 -6.546 21.151 -12.122 1.00 0.00 O ATOM 195 CB GLN A 14 -5.517 18.442 -12.784 1.00 0.00 C ATOM 196 CG GLN A 14 -5.010 17.006 -12.645 1.00 0.00 C ATOM 197 CD GLN A 14 -5.320 16.230 -13.927 1.00 0.00 C ATOM 198 OE1 GLN A 14 -5.555 16.817 -14.964 1.00 0.00 O ATOM 199 NE2 GLN A 14 -5.330 14.925 -13.900 1.00 0.00 N ATOM 0 H GLN A 14 -7.444 18.669 -10.958 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.455 18.922 -10.980 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.550 18.442 -13.133 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.928 18.976 -13.530 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.936 17.005 -12.457 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.484 16.523 -11.791 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.133 14.431 -13.029 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.535 14.399 -14.749 1.00 0.00 H new ATOM 208 N VAL A 15 -4.551 21.408 -11.241 1.00 0.00 N ATOM 209 CA VAL A 15 -4.624 22.884 -11.395 1.00 0.00 C ATOM 210 C VAL A 15 -3.371 23.400 -12.107 1.00 0.00 C ATOM 211 O VAL A 15 -2.270 22.955 -11.849 1.00 0.00 O ATOM 212 CB VAL A 15 -4.721 23.519 -10.011 1.00 0.00 C ATOM 213 CG1 VAL A 15 -3.426 23.255 -9.246 1.00 0.00 C ATOM 214 CG2 VAL A 15 -4.940 25.027 -10.147 1.00 0.00 C ATOM 0 H VAL A 15 -3.689 21.057 -10.823 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.500 23.146 -11.989 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.562 23.085 -9.470 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.490 23.707 -8.256 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.275 22.180 -9.145 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.587 23.690 -9.790 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.009 25.476 -9.156 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.103 25.469 -10.688 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.864 25.213 -10.694 1.00 0.00 H new ATOM 224 N THR A 16 -3.531 24.339 -13.000 1.00 0.00 N ATOM 225 CA THR A 16 -2.352 24.890 -13.727 1.00 0.00 C ATOM 226 C THR A 16 -2.524 26.401 -13.904 1.00 0.00 C ATOM 227 O THR A 16 -3.620 26.893 -14.088 1.00 0.00 O ATOM 228 CB THR A 16 -2.244 24.227 -15.103 1.00 0.00 C ATOM 229 OG1 THR A 16 -3.310 24.676 -15.929 1.00 0.00 O ATOM 230 CG2 THR A 16 -2.321 22.708 -14.948 1.00 0.00 C ATOM 0 H THR A 16 -4.429 24.749 -13.258 1.00 0.00 H new ATOM 0 HA THR A 16 -1.446 24.690 -13.154 1.00 0.00 H new ATOM 0 HB THR A 16 -1.292 24.495 -15.561 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.241 24.254 -16.811 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.244 22.238 -15.928 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.502 22.365 -14.316 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.272 22.437 -14.489 1.00 0.00 H new ATOM 238 N PHE A 17 -1.450 27.141 -13.849 1.00 0.00 N ATOM 239 CA PHE A 17 -1.555 28.620 -14.015 1.00 0.00 C ATOM 240 C PHE A 17 -0.785 29.051 -15.263 1.00 0.00 C ATOM 241 O PHE A 17 0.319 28.610 -15.502 1.00 0.00 O ATOM 242 CB PHE A 17 -0.948 29.317 -12.797 1.00 0.00 C ATOM 243 CG PHE A 17 -1.681 28.899 -11.546 1.00 0.00 C ATOM 244 CD1 PHE A 17 -1.618 27.573 -11.106 1.00 0.00 C ATOM 245 CD2 PHE A 17 -2.417 29.844 -10.824 1.00 0.00 C ATOM 246 CE1 PHE A 17 -2.293 27.189 -9.941 1.00 0.00 C ATOM 247 CE2 PHE A 17 -3.091 29.462 -9.658 1.00 0.00 C ATOM 248 CZ PHE A 17 -3.030 28.135 -9.216 1.00 0.00 C ATOM 0 H PHE A 17 -0.506 26.787 -13.697 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.605 28.894 -14.114 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.109 29.063 -12.711 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.007 30.398 -12.919 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.049 26.845 -11.665 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.465 30.867 -11.166 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.246 26.165 -9.601 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.658 30.191 -9.099 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.551 27.841 -8.317 1.00 0.00 H new ATOM 258 N THR A 18 -1.347 29.919 -16.057 1.00 0.00 N ATOM 259 CA THR A 18 -0.623 30.374 -17.276 1.00 0.00 C ATOM 260 C THR A 18 -0.663 31.902 -17.348 1.00 0.00 C ATOM 261 O THR A 18 -1.711 32.510 -17.277 1.00 0.00 O ATOM 262 CB THR A 18 -1.279 29.780 -18.524 1.00 0.00 C ATOM 263 OG1 THR A 18 -1.330 28.365 -18.400 1.00 0.00 O ATOM 264 CG2 THR A 18 -0.463 30.158 -19.761 1.00 0.00 C ATOM 0 H THR A 18 -2.270 30.330 -15.916 1.00 0.00 H new ATOM 0 HA THR A 18 0.413 30.039 -17.227 1.00 0.00 H new ATOM 0 HB THR A 18 -2.290 30.173 -18.627 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.751 27.982 -19.198 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.931 29.734 -20.649 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.425 31.243 -19.854 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.549 29.766 -19.663 1.00 0.00 H new ATOM 272 N VAL A 19 0.474 32.526 -17.490 1.00 0.00 N ATOM 273 CA VAL A 19 0.504 34.014 -17.565 1.00 0.00 C ATOM 274 C VAL A 19 0.015 34.460 -18.944 1.00 0.00 C ATOM 275 O VAL A 19 0.489 33.993 -19.960 1.00 0.00 O ATOM 276 CB VAL A 19 1.937 34.504 -17.349 1.00 0.00 C ATOM 277 CG1 VAL A 19 1.929 36.015 -17.105 1.00 0.00 C ATOM 278 CG2 VAL A 19 2.540 33.793 -16.136 1.00 0.00 C ATOM 0 H VAL A 19 1.384 32.070 -17.557 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.143 34.433 -16.795 1.00 0.00 H new ATOM 0 HB VAL A 19 2.534 34.284 -18.234 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.950 36.364 -16.951 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.499 36.521 -17.969 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.332 36.238 -16.220 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.561 34.141 -15.981 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.943 34.013 -15.251 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.546 32.717 -16.311 1.00 0.00 H new ATOM 288 N GLN A 20 -0.933 35.355 -18.993 1.00 0.00 N ATOM 289 CA GLN A 20 -1.449 35.819 -20.310 1.00 0.00 C ATOM 290 C GLN A 20 -0.630 37.017 -20.796 1.00 0.00 C ATOM 291 O GLN A 20 0.314 37.439 -20.159 1.00 0.00 O ATOM 292 CB GLN A 20 -2.916 36.230 -20.165 1.00 0.00 C ATOM 293 CG GLN A 20 -3.737 35.024 -19.704 1.00 0.00 C ATOM 294 CD GLN A 20 -3.531 33.863 -20.679 1.00 0.00 C ATOM 295 OE1 GLN A 20 -3.925 33.940 -21.826 1.00 0.00 O ATOM 296 NE2 GLN A 20 -2.922 32.783 -20.269 1.00 0.00 N ATOM 0 H GLN A 20 -1.372 35.784 -18.178 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.365 35.009 -21.035 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.008 37.043 -19.445 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.297 36.601 -21.116 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.435 34.727 -18.700 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.793 35.288 -19.654 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.591 32.718 -19.306 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.777 32.004 -20.911 1.00 0.00 H new ATOM 305 N LYS A 21 -0.986 37.562 -21.928 1.00 0.00 N ATOM 306 CA LYS A 21 -0.236 38.728 -22.473 1.00 0.00 C ATOM 307 C LYS A 21 -0.688 40.013 -21.775 1.00 0.00 C ATOM 308 O LYS A 21 -1.264 40.887 -22.391 1.00 0.00 O ATOM 309 CB LYS A 21 -0.524 38.849 -23.971 1.00 0.00 C ATOM 310 CG LYS A 21 -0.261 37.503 -24.650 1.00 0.00 C ATOM 311 CD LYS A 21 -0.213 37.697 -26.167 1.00 0.00 C ATOM 312 CE LYS A 21 -0.078 36.337 -26.853 1.00 0.00 C ATOM 313 NZ LYS A 21 -1.346 35.569 -26.689 1.00 0.00 N ATOM 0 H LYS A 21 -1.769 37.247 -22.501 1.00 0.00 H new ATOM 0 HA LYS A 21 0.831 38.581 -22.303 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.559 39.153 -24.130 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.106 39.621 -24.413 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.681 37.083 -24.296 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.045 36.792 -24.388 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.118 38.200 -26.508 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.628 38.336 -26.436 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.143 36.472 -27.912 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.755 35.781 -26.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.387 34.810 -27.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.379 35.153 -25.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.157 36.207 -26.817 1.00 0.00 H new ATOM 327 N GLY A 22 -0.440 40.144 -20.500 1.00 0.00 N ATOM 328 CA GLY A 22 -0.872 41.386 -19.797 1.00 0.00 C ATOM 329 C GLY A 22 -0.338 41.403 -18.361 1.00 0.00 C ATOM 330 O GLY A 22 -0.907 42.033 -17.493 1.00 0.00 O ATOM 0 H GLY A 22 0.037 39.454 -19.920 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.510 42.261 -20.336 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.960 41.446 -19.787 1.00 0.00 H new ATOM 334 N SER A 23 0.748 40.727 -18.101 1.00 0.00 N ATOM 335 CA SER A 23 1.299 40.729 -16.716 1.00 0.00 C ATOM 336 C SER A 23 2.080 42.025 -16.483 1.00 0.00 C ATOM 337 O SER A 23 2.727 42.539 -17.375 1.00 0.00 O ATOM 338 CB SER A 23 2.230 39.529 -16.535 1.00 0.00 C ATOM 339 OG SER A 23 1.469 38.391 -16.160 1.00 0.00 O ATOM 0 H SER A 23 1.274 40.178 -18.781 1.00 0.00 H new ATOM 0 HA SER A 23 0.482 40.663 -15.998 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.769 39.330 -17.462 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.978 39.747 -15.772 1.00 0.00 H new ATOM 0 HG SER A 23 1.776 38.065 -15.288 1.00 0.00 H new ATOM 345 N ASP A 24 2.023 42.563 -15.294 1.00 0.00 N ATOM 346 CA ASP A 24 2.760 43.829 -15.011 1.00 0.00 C ATOM 347 C ASP A 24 3.440 43.732 -13.642 1.00 0.00 C ATOM 348 O ASP A 24 3.224 42.796 -12.899 1.00 0.00 O ATOM 349 CB ASP A 24 1.777 45.003 -15.010 1.00 0.00 C ATOM 350 CG ASP A 24 0.534 44.634 -15.823 1.00 0.00 C ATOM 351 OD1 ASP A 24 -0.149 43.702 -15.433 1.00 0.00 O ATOM 352 OD2 ASP A 24 0.288 45.289 -16.823 1.00 0.00 O ATOM 0 H ASP A 24 1.498 42.181 -14.507 1.00 0.00 H new ATOM 0 HA ASP A 24 3.516 43.987 -15.781 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.494 45.252 -13.987 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.252 45.888 -15.434 1.00 0.00 H new ATOM 357 N PRO A 25 4.280 44.725 -13.307 1.00 0.00 N ATOM 358 CA PRO A 25 4.999 44.757 -12.027 1.00 0.00 C ATOM 359 C PRO A 25 4.057 45.037 -10.852 1.00 0.00 C ATOM 360 O PRO A 25 4.299 44.619 -9.738 1.00 0.00 O ATOM 361 CB PRO A 25 5.981 45.915 -12.195 1.00 0.00 C ATOM 362 CG PRO A 25 5.352 46.798 -13.220 1.00 0.00 C ATOM 363 CD PRO A 25 4.596 45.892 -14.150 1.00 0.00 C ATOM 0 HA PRO A 25 5.478 43.804 -11.804 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.133 46.445 -11.255 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.958 45.561 -12.523 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.683 47.521 -12.753 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.109 47.366 -13.761 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.693 46.369 -14.530 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.197 45.612 -15.015 1.00 0.00 H new ATOM 371 N LYS A 26 2.981 45.735 -11.094 1.00 0.00 N ATOM 372 CA LYS A 26 2.023 46.033 -9.991 1.00 0.00 C ATOM 373 C LYS A 26 0.681 45.366 -10.300 1.00 0.00 C ATOM 374 O LYS A 26 -0.292 45.540 -9.595 1.00 0.00 O ATOM 375 CB LYS A 26 1.832 47.546 -9.871 1.00 0.00 C ATOM 376 CG LYS A 26 3.199 48.220 -9.738 1.00 0.00 C ATOM 377 CD LYS A 26 3.015 49.733 -9.601 1.00 0.00 C ATOM 378 CE LYS A 26 4.362 50.382 -9.282 1.00 0.00 C ATOM 379 NZ LYS A 26 4.273 51.852 -9.514 1.00 0.00 N ATOM 0 H LYS A 26 2.724 46.111 -12.006 1.00 0.00 H new ATOM 0 HA LYS A 26 2.415 45.648 -9.050 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.309 47.929 -10.747 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.213 47.778 -9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.726 47.828 -8.868 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.813 47.996 -10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.610 50.146 -10.525 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.297 49.953 -8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.638 50.183 -8.246 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.143 49.951 -9.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.189 52.294 -9.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.029 52.032 -10.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.539 52.257 -8.898 1.00 0.00 H new ATOM 393 N LYS A 27 0.632 44.596 -11.352 1.00 0.00 N ATOM 394 CA LYS A 27 -0.632 43.900 -11.720 1.00 0.00 C ATOM 395 C LYS A 27 -0.287 42.503 -12.231 1.00 0.00 C ATOM 396 O LYS A 27 0.603 42.335 -13.041 1.00 0.00 O ATOM 397 CB LYS A 27 -1.349 44.686 -12.822 1.00 0.00 C ATOM 398 CG LYS A 27 -1.661 46.098 -12.324 1.00 0.00 C ATOM 399 CD LYS A 27 -2.282 46.913 -13.460 1.00 0.00 C ATOM 400 CE LYS A 27 -2.246 48.399 -13.098 1.00 0.00 C ATOM 401 NZ LYS A 27 -2.997 48.620 -11.830 1.00 0.00 N ATOM 0 H LYS A 27 1.419 44.418 -11.976 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.286 43.829 -10.851 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.724 44.734 -13.714 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.271 44.177 -13.105 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.346 46.054 -11.477 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.749 46.581 -11.972 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.736 46.740 -14.387 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.310 46.594 -13.631 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.214 48.732 -12.985 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.685 48.991 -13.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.467 49.547 -11.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.712 47.873 -11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.337 48.594 -11.027 1.00 0.00 H new ATOM 415 N LEU A 28 -0.971 41.495 -11.767 1.00 0.00 N ATOM 416 CA LEU A 28 -0.655 40.118 -12.237 1.00 0.00 C ATOM 417 C LEU A 28 -1.901 39.487 -12.860 1.00 0.00 C ATOM 418 O LEU A 28 -2.937 39.360 -12.238 1.00 0.00 O ATOM 419 CB LEU A 28 -0.166 39.269 -11.056 1.00 0.00 C ATOM 420 CG LEU A 28 0.654 38.068 -11.546 1.00 0.00 C ATOM 421 CD1 LEU A 28 0.205 37.650 -12.948 1.00 0.00 C ATOM 422 CD2 LEU A 28 2.136 38.442 -11.577 1.00 0.00 C ATOM 0 H LEU A 28 -1.729 41.564 -11.088 1.00 0.00 H new ATOM 0 HA LEU A 28 0.132 40.164 -12.990 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.442 39.882 -10.390 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.020 38.919 -10.477 1.00 0.00 H new ATOM 0 HG LEU A 28 0.497 37.233 -10.863 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.797 36.797 -13.280 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.849 37.374 -12.925 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.347 38.481 -13.639 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.719 37.589 -11.925 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.285 39.284 -12.253 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.462 38.720 -10.575 1.00 0.00 H new ATOM 434 N VAL A 29 -1.782 39.071 -14.093 1.00 0.00 N ATOM 435 CA VAL A 29 -2.919 38.421 -14.795 1.00 0.00 C ATOM 436 C VAL A 29 -2.484 37.011 -15.184 1.00 0.00 C ATOM 437 O VAL A 29 -1.472 36.825 -15.832 1.00 0.00 O ATOM 438 CB VAL A 29 -3.268 39.214 -16.057 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.597 38.710 -16.623 1.00 0.00 C ATOM 440 CG2 VAL A 29 -3.393 40.699 -15.708 1.00 0.00 C ATOM 0 H VAL A 29 -0.931 39.157 -14.649 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.796 38.387 -14.148 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.482 39.080 -16.800 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.847 39.274 -17.522 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.509 37.652 -16.871 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.383 38.844 -15.880 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.641 41.264 -16.606 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.180 40.833 -14.966 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.447 41.059 -15.303 1.00 0.00 H new ATOM 450 N LEU A 30 -3.221 36.012 -14.793 1.00 0.00 N ATOM 451 CA LEU A 30 -2.816 34.622 -15.143 1.00 0.00 C ATOM 452 C LEU A 30 -4.051 33.764 -15.398 1.00 0.00 C ATOM 453 O LEU A 30 -5.071 33.917 -14.756 1.00 0.00 O ATOM 454 CB LEU A 30 -2.029 34.005 -13.981 1.00 0.00 C ATOM 455 CG LEU A 30 -0.807 34.865 -13.650 1.00 0.00 C ATOM 456 CD1 LEU A 30 -0.767 35.129 -12.144 1.00 0.00 C ATOM 457 CD2 LEU A 30 0.463 34.124 -14.070 1.00 0.00 C ATOM 0 H LEU A 30 -4.081 36.095 -14.250 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.198 34.657 -16.040 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.670 33.919 -13.104 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.711 32.996 -14.243 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.870 35.812 -14.185 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.102 35.741 -11.905 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.674 35.653 -11.842 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.701 34.181 -11.610 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.335 34.735 -13.835 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.527 33.178 -13.532 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.434 33.931 -15.142 1.00 0.00 H new ATOM 469 N ASP A 31 -3.953 32.835 -16.305 1.00 0.00 N ATOM 470 CA ASP A 31 -5.106 31.938 -16.570 1.00 0.00 C ATOM 471 C ASP A 31 -5.020 30.782 -15.576 1.00 0.00 C ATOM 472 O ASP A 31 -3.956 30.253 -15.327 1.00 0.00 O ATOM 473 CB ASP A 31 -5.033 31.402 -18.002 1.00 0.00 C ATOM 474 CG ASP A 31 -6.307 30.616 -18.316 1.00 0.00 C ATOM 475 OD1 ASP A 31 -7.174 30.562 -17.460 1.00 0.00 O ATOM 476 OD2 ASP A 31 -6.394 30.081 -19.410 1.00 0.00 O ATOM 0 H ASP A 31 -3.124 32.659 -16.873 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.047 32.476 -16.457 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.919 32.227 -18.705 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.159 30.761 -18.118 1.00 0.00 H new ATOM 481 N ILE A 32 -6.114 30.391 -14.990 1.00 0.00 N ATOM 482 CA ILE A 32 -6.042 29.281 -14.007 1.00 0.00 C ATOM 483 C ILE A 32 -6.934 28.122 -14.438 1.00 0.00 C ATOM 484 O ILE A 32 -8.098 28.293 -14.743 1.00 0.00 O ATOM 485 CB ILE A 32 -6.493 29.778 -12.634 1.00 0.00 C ATOM 486 CG1 ILE A 32 -5.438 30.726 -12.064 1.00 0.00 C ATOM 487 CG2 ILE A 32 -6.674 28.580 -11.698 1.00 0.00 C ATOM 488 CD1 ILE A 32 -5.995 31.419 -10.818 1.00 0.00 C ATOM 0 H ILE A 32 -7.042 30.785 -15.146 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.010 28.933 -13.955 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.440 30.310 -12.728 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.534 30.172 -11.812 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.158 31.468 -12.812 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.996 28.930 -10.717 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.428 27.908 -12.109 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.728 28.048 -11.601 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.243 32.095 -10.411 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.887 31.986 -11.085 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.252 30.670 -10.069 1.00 0.00 H new ATOM 500 N LYS A 33 -6.396 26.938 -14.430 1.00 0.00 N ATOM 501 CA LYS A 33 -7.203 25.748 -14.797 1.00 0.00 C ATOM 502 C LYS A 33 -7.414 24.923 -13.531 1.00 0.00 C ATOM 503 O LYS A 33 -6.473 24.503 -12.891 1.00 0.00 O ATOM 504 CB LYS A 33 -6.466 24.916 -15.847 1.00 0.00 C ATOM 505 CG LYS A 33 -7.451 23.962 -16.525 1.00 0.00 C ATOM 506 CD LYS A 33 -6.708 23.107 -17.555 1.00 0.00 C ATOM 507 CE LYS A 33 -7.717 22.275 -18.349 1.00 0.00 C ATOM 508 NZ LYS A 33 -7.824 20.916 -17.747 1.00 0.00 N ATOM 0 H LYS A 33 -5.426 26.743 -14.183 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.161 26.053 -15.218 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.008 25.570 -16.589 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.660 24.351 -15.379 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.925 23.323 -15.780 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.245 24.528 -17.012 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.136 23.745 -18.229 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.995 22.453 -17.054 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.691 22.764 -18.345 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.403 22.199 -19.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.497 20.345 -18.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.891 20.457 -17.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.159 20.996 -16.766 1.00 0.00 H new ATOM 522 N TYR A 34 -8.638 24.709 -13.152 1.00 0.00 N ATOM 523 CA TYR A 34 -8.909 23.930 -11.914 1.00 0.00 C ATOM 524 C TYR A 34 -9.752 22.703 -12.257 1.00 0.00 C ATOM 525 O TYR A 34 -10.906 22.813 -12.620 1.00 0.00 O ATOM 526 CB TYR A 34 -9.657 24.822 -10.925 1.00 0.00 C ATOM 527 CG TYR A 34 -9.909 24.067 -9.641 1.00 0.00 C ATOM 528 CD1 TYR A 34 -8.869 23.884 -8.721 1.00 0.00 C ATOM 529 CD2 TYR A 34 -11.182 23.552 -9.370 1.00 0.00 C ATOM 530 CE1 TYR A 34 -9.103 23.188 -7.529 1.00 0.00 C ATOM 531 CE2 TYR A 34 -11.416 22.855 -8.179 1.00 0.00 C ATOM 532 CZ TYR A 34 -10.377 22.673 -7.258 1.00 0.00 C ATOM 533 OH TYR A 34 -10.608 21.986 -6.083 1.00 0.00 O ATOM 0 H TYR A 34 -9.466 25.040 -13.646 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.972 23.598 -11.468 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.075 25.721 -10.720 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.603 25.146 -11.358 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.886 24.280 -8.931 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.984 23.692 -10.080 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.301 23.048 -6.819 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.398 22.457 -7.970 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.544 21.697 -6.052 1.00 0.00 H new ATOM 543 N THR A 35 -9.184 21.533 -12.150 1.00 0.00 N ATOM 544 CA THR A 35 -9.961 20.304 -12.478 1.00 0.00 C ATOM 545 C THR A 35 -10.172 19.472 -11.212 1.00 0.00 C ATOM 546 O THR A 35 -9.240 18.952 -10.630 1.00 0.00 O ATOM 547 CB THR A 35 -9.202 19.477 -13.519 1.00 0.00 C ATOM 548 OG1 THR A 35 -8.811 20.317 -14.595 1.00 0.00 O ATOM 549 CG2 THR A 35 -10.104 18.359 -14.043 1.00 0.00 C ATOM 0 H THR A 35 -8.222 21.375 -11.852 1.00 0.00 H new ATOM 0 HA THR A 35 -10.931 20.591 -12.884 1.00 0.00 H new ATOM 0 HB THR A 35 -8.316 19.039 -13.059 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.076 19.896 -15.088 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.562 17.771 -14.784 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.402 17.714 -13.216 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.992 18.793 -14.503 1.00 0.00 H new ATOM 557 N ARG A 36 -11.400 19.339 -10.792 1.00 0.00 N ATOM 558 CA ARG A 36 -11.698 18.539 -9.571 1.00 0.00 C ATOM 559 C ARG A 36 -13.118 17.978 -9.676 1.00 0.00 C ATOM 560 O ARG A 36 -14.086 18.710 -9.658 1.00 0.00 O ATOM 561 CB ARG A 36 -11.595 19.432 -8.333 1.00 0.00 C ATOM 562 CG ARG A 36 -11.717 18.572 -7.074 1.00 0.00 C ATOM 563 CD ARG A 36 -13.190 18.251 -6.813 1.00 0.00 C ATOM 564 NE ARG A 36 -13.380 17.933 -5.370 1.00 0.00 N ATOM 565 CZ ARG A 36 -13.375 16.691 -4.968 1.00 0.00 C ATOM 566 NH1 ARG A 36 -14.418 15.933 -5.177 1.00 0.00 N ATOM 567 NH2 ARG A 36 -12.329 16.207 -4.357 1.00 0.00 N ATOM 0 H ARG A 36 -12.215 19.753 -11.245 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.982 17.722 -9.485 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.643 19.964 -8.333 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.382 20.186 -8.349 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.149 17.649 -7.195 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.292 19.098 -6.219 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.814 19.099 -7.095 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.504 17.407 -7.427 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.514 18.686 -4.696 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.236 16.312 -5.654 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.414 14.963 -4.863 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.515 16.799 -4.193 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.325 15.237 -4.043 1.00 0.00 H new ATOM 581 N PRO A 37 -13.237 16.648 -9.796 1.00 0.00 N ATOM 582 CA PRO A 37 -14.537 15.975 -9.912 1.00 0.00 C ATOM 583 C PRO A 37 -15.342 16.045 -8.611 1.00 0.00 C ATOM 584 O PRO A 37 -14.853 15.713 -7.549 1.00 0.00 O ATOM 585 CB PRO A 37 -14.162 14.524 -10.214 1.00 0.00 C ATOM 586 CG PRO A 37 -12.790 14.366 -9.648 1.00 0.00 C ATOM 587 CD PRO A 37 -12.113 15.695 -9.824 1.00 0.00 C ATOM 0 HA PRO A 37 -15.166 16.438 -10.672 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.864 13.829 -9.753 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.174 14.326 -11.286 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.832 14.086 -8.595 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.243 13.578 -10.166 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.397 15.892 -9.026 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.564 15.747 -10.764 1.00 0.00 H new ATOM 595 N GLY A 38 -16.573 16.471 -8.687 1.00 0.00 N ATOM 596 CA GLY A 38 -17.410 16.559 -7.458 1.00 0.00 C ATOM 597 C GLY A 38 -17.435 18.004 -6.955 1.00 0.00 C ATOM 598 O GLY A 38 -18.332 18.406 -6.241 1.00 0.00 O ATOM 0 H GLY A 38 -17.035 16.762 -9.548 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.424 16.220 -7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.010 15.902 -6.686 1.00 0.00 H new ATOM 602 N ASP A 39 -16.457 18.787 -7.319 1.00 0.00 N ATOM 603 CA ASP A 39 -16.427 20.203 -6.856 1.00 0.00 C ATOM 604 C ASP A 39 -15.938 21.109 -7.989 1.00 0.00 C ATOM 605 O ASP A 39 -15.660 20.658 -9.082 1.00 0.00 O ATOM 606 CB ASP A 39 -15.477 20.326 -5.662 1.00 0.00 C ATOM 607 CG ASP A 39 -16.232 20.909 -4.467 1.00 0.00 C ATOM 608 OD1 ASP A 39 -17.133 21.701 -4.688 1.00 0.00 O ATOM 609 OD2 ASP A 39 -15.895 20.554 -3.349 1.00 0.00 O ATOM 0 H ASP A 39 -15.678 18.508 -7.916 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.431 20.507 -6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -15.069 19.348 -5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.633 20.966 -5.920 1.00 0.00 H new ATOM 614 N SER A 40 -15.831 22.385 -7.734 1.00 0.00 N ATOM 615 CA SER A 40 -15.360 23.323 -8.792 1.00 0.00 C ATOM 616 C SER A 40 -14.725 24.552 -8.134 1.00 0.00 C ATOM 617 O SER A 40 -14.942 24.825 -6.971 1.00 0.00 O ATOM 618 CB SER A 40 -16.545 23.757 -9.654 1.00 0.00 C ATOM 619 OG SER A 40 -16.992 22.655 -10.432 1.00 0.00 O ATOM 0 H SER A 40 -16.050 22.819 -6.837 1.00 0.00 H new ATOM 0 HA SER A 40 -14.621 22.825 -9.420 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.354 24.122 -9.022 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.253 24.581 -10.305 1.00 0.00 H new ATOM 0 HG SER A 40 -16.493 21.851 -10.177 1.00 0.00 H new ATOM 625 N LEU A 41 -13.943 25.294 -8.869 1.00 0.00 N ATOM 626 CA LEU A 41 -13.292 26.504 -8.287 1.00 0.00 C ATOM 627 C LEU A 41 -14.340 27.596 -8.060 1.00 0.00 C ATOM 628 O LEU A 41 -15.109 27.923 -8.942 1.00 0.00 O ATOM 629 CB LEU A 41 -12.228 27.018 -9.258 1.00 0.00 C ATOM 630 CG LEU A 41 -11.205 27.875 -8.511 1.00 0.00 C ATOM 631 CD1 LEU A 41 -10.270 28.536 -9.526 1.00 0.00 C ATOM 632 CD2 LEU A 41 -11.923 28.955 -7.701 1.00 0.00 C ATOM 0 H LEU A 41 -13.726 25.115 -9.849 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.830 26.245 -7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.728 26.178 -9.740 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.698 27.604 -10.048 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.630 27.245 -7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.538 29.149 -9.001 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.754 27.767 -10.100 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.851 29.164 -10.201 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.188 29.562 -7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.501 29.590 -8.373 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.592 28.485 -6.980 1.00 0.00 H new ATOM 644 N ALA A 42 -14.373 28.168 -6.887 1.00 0.00 N ATOM 645 CA ALA A 42 -15.367 29.240 -6.611 1.00 0.00 C ATOM 646 C ALA A 42 -14.644 30.558 -6.328 1.00 0.00 C ATOM 647 O ALA A 42 -15.060 31.611 -6.769 1.00 0.00 O ATOM 648 CB ALA A 42 -16.204 28.860 -5.391 1.00 0.00 C ATOM 0 H ALA A 42 -13.754 27.938 -6.109 1.00 0.00 H new ATOM 0 HA ALA A 42 -16.013 29.357 -7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.932 29.646 -5.190 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.726 27.923 -5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.552 28.739 -4.526 1.00 0.00 H new ATOM 654 N GLU A 43 -13.570 30.512 -5.587 1.00 0.00 N ATOM 655 CA GLU A 43 -12.837 31.773 -5.274 1.00 0.00 C ATOM 656 C GLU A 43 -11.323 31.534 -5.302 1.00 0.00 C ATOM 657 O GLU A 43 -10.845 30.458 -5.004 1.00 0.00 O ATOM 658 CB GLU A 43 -13.246 32.262 -3.883 1.00 0.00 C ATOM 659 CG GLU A 43 -14.729 32.640 -3.891 1.00 0.00 C ATOM 660 CD GLU A 43 -15.066 33.412 -2.614 1.00 0.00 C ATOM 661 OE1 GLU A 43 -14.242 33.418 -1.714 1.00 0.00 O ATOM 662 OE2 GLU A 43 -16.142 33.984 -2.557 1.00 0.00 O ATOM 0 H GLU A 43 -13.170 29.663 -5.187 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.089 32.523 -6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.062 31.483 -3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.642 33.123 -3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.955 33.248 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.344 31.742 -3.959 1.00 0.00 H new ATOM 669 N VAL A 44 -10.572 32.543 -5.657 1.00 0.00 N ATOM 670 CA VAL A 44 -9.088 32.401 -5.710 1.00 0.00 C ATOM 671 C VAL A 44 -8.443 33.666 -5.136 1.00 0.00 C ATOM 672 O VAL A 44 -8.863 34.767 -5.431 1.00 0.00 O ATOM 673 CB VAL A 44 -8.646 32.238 -7.166 1.00 0.00 C ATOM 674 CG1 VAL A 44 -7.121 32.137 -7.228 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.265 30.970 -7.749 1.00 0.00 C ATOM 0 H VAL A 44 -10.925 33.465 -5.914 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.783 31.529 -5.131 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.977 33.101 -7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.806 32.021 -8.265 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.679 33.043 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.790 31.275 -6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.950 30.855 -8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.936 30.106 -7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.352 31.043 -7.706 1.00 0.00 H new ATOM 685 N GLU A 45 -7.425 33.532 -4.328 1.00 0.00 N ATOM 686 CA GLU A 45 -6.777 34.751 -3.766 1.00 0.00 C ATOM 687 C GLU A 45 -5.266 34.684 -4.004 1.00 0.00 C ATOM 688 O GLU A 45 -4.681 33.621 -4.063 1.00 0.00 O ATOM 689 CB GLU A 45 -7.065 34.853 -2.267 1.00 0.00 C ATOM 690 CG GLU A 45 -8.538 35.201 -2.053 1.00 0.00 C ATOM 691 CD GLU A 45 -8.839 35.253 -0.554 1.00 0.00 C ATOM 692 OE1 GLU A 45 -7.912 35.091 0.223 1.00 0.00 O ATOM 693 OE2 GLU A 45 -9.992 35.452 -0.208 1.00 0.00 O ATOM 0 H GLU A 45 -7.019 32.643 -4.036 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.181 35.633 -4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.828 33.909 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.431 35.616 -1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.766 36.162 -2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.172 34.458 -2.536 1.00 0.00 H new ATOM 700 N LEU A 46 -4.636 35.817 -4.154 1.00 0.00 N ATOM 701 CA LEU A 46 -3.168 35.834 -4.405 1.00 0.00 C ATOM 702 C LEU A 46 -2.457 36.593 -3.281 1.00 0.00 C ATOM 703 O LEU A 46 -2.885 37.653 -2.869 1.00 0.00 O ATOM 704 CB LEU A 46 -2.898 36.538 -5.735 1.00 0.00 C ATOM 705 CG LEU A 46 -1.465 36.253 -6.187 1.00 0.00 C ATOM 706 CD1 LEU A 46 -1.267 36.781 -7.611 1.00 0.00 C ATOM 707 CD2 LEU A 46 -0.482 36.950 -5.245 1.00 0.00 C ATOM 0 H LEU A 46 -5.078 36.736 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.795 34.811 -4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.604 36.192 -6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.049 37.612 -5.626 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.285 35.178 -6.167 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.246 36.579 -7.935 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.966 36.285 -8.284 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.447 37.856 -7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.539 36.746 -5.568 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.660 38.025 -5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.623 36.576 -4.231 1.00 0.00 H new ATOM 719 N ARG A 47 -1.370 36.066 -2.792 1.00 0.00 N ATOM 720 CA ARG A 47 -0.626 36.766 -1.706 1.00 0.00 C ATOM 721 C ARG A 47 0.810 37.022 -2.169 1.00 0.00 C ATOM 722 O ARG A 47 1.488 36.133 -2.644 1.00 0.00 O ATOM 723 CB ARG A 47 -0.617 35.900 -0.446 1.00 0.00 C ATOM 724 CG ARG A 47 0.391 36.469 0.553 1.00 0.00 C ATOM 725 CD ARG A 47 0.224 35.767 1.903 1.00 0.00 C ATOM 726 NE ARG A 47 1.050 34.528 1.924 1.00 0.00 N ATOM 727 CZ ARG A 47 1.875 34.309 2.911 1.00 0.00 C ATOM 728 NH1 ARG A 47 1.411 34.032 4.099 1.00 0.00 N ATOM 729 NH2 ARG A 47 3.163 34.369 2.711 1.00 0.00 N ATOM 0 H ARG A 47 -0.964 35.181 -3.096 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.112 37.715 -1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.612 35.875 -0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.355 34.873 -0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.406 36.329 0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.239 37.542 0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.527 36.433 2.711 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.825 35.521 2.070 1.00 0.00 H new ATOM 0 HE ARG A 47 0.971 33.850 1.166 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.404 33.987 4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.055 33.861 4.871 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.525 34.587 1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.807 34.198 3.483 1.00 0.00 H new ATOM 743 N GLN A 48 1.275 38.233 -2.038 1.00 0.00 N ATOM 744 CA GLN A 48 2.662 38.553 -2.476 1.00 0.00 C ATOM 745 C GLN A 48 3.667 37.930 -1.506 1.00 0.00 C ATOM 746 O GLN A 48 3.422 37.836 -0.319 1.00 0.00 O ATOM 747 CB GLN A 48 2.850 40.070 -2.502 1.00 0.00 C ATOM 748 CG GLN A 48 1.751 40.702 -3.358 1.00 0.00 C ATOM 749 CD GLN A 48 2.098 42.165 -3.637 1.00 0.00 C ATOM 750 OE1 GLN A 48 1.586 42.755 -4.682 1.00 0.00 O flip ATOM 751 NE2 GLN A 48 2.841 42.779 -2.896 1.00 0.00 N flip ATOM 0 H GLN A 48 0.753 39.017 -1.646 1.00 0.00 H new ATOM 0 HA GLN A 48 2.828 38.148 -3.474 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.813 40.470 -1.489 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.831 40.319 -2.907 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.647 40.157 -4.296 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.792 40.637 -2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.241 42.318 -2.079 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.064 43.755 -3.091 1.00 0.00 H new ATOM 760 N HIS A 49 4.794 37.503 -2.003 1.00 0.00 N ATOM 761 CA HIS A 49 5.815 36.885 -1.111 1.00 0.00 C ATOM 762 C HIS A 49 6.320 37.933 -0.115 1.00 0.00 C ATOM 763 O HIS A 49 6.986 38.881 -0.481 1.00 0.00 O ATOM 764 CB HIS A 49 6.986 36.371 -1.954 1.00 0.00 C ATOM 765 CG HIS A 49 8.200 36.191 -1.084 1.00 0.00 C ATOM 766 ND1 HIS A 49 8.331 35.123 -0.210 1.00 0.00 N ATOM 767 CD2 HIS A 49 9.347 36.933 -0.942 1.00 0.00 C ATOM 768 CE1 HIS A 49 9.517 35.251 0.412 1.00 0.00 C ATOM 769 NE2 HIS A 49 10.177 36.337 0.002 1.00 0.00 N ATOM 0 H HIS A 49 5.053 37.555 -2.988 1.00 0.00 H new ATOM 0 HA HIS A 49 5.369 36.052 -0.567 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.720 35.424 -2.423 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.204 37.075 -2.757 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.571 37.841 -1.481 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.890 34.559 1.153 1.00 0.00 H new ATOM 0 HE2 HIS A 49 11.093 36.660 0.314 1.00 0.00 H new ATOM 777 N GLY A 50 6.012 37.767 1.142 1.00 0.00 N ATOM 778 CA GLY A 50 6.480 38.752 2.159 1.00 0.00 C ATOM 779 C GLY A 50 5.279 39.496 2.746 1.00 0.00 C ATOM 780 O GLY A 50 5.424 40.366 3.581 1.00 0.00 O ATOM 0 H GLY A 50 5.458 36.993 1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.026 38.240 2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.171 39.460 1.702 1.00 0.00 H new ATOM 784 N SER A 51 4.091 39.162 2.317 1.00 0.00 N ATOM 785 CA SER A 51 2.886 39.854 2.856 1.00 0.00 C ATOM 786 C SER A 51 2.037 38.856 3.646 1.00 0.00 C ATOM 787 O SER A 51 2.073 37.667 3.404 1.00 0.00 O ATOM 788 CB SER A 51 2.062 40.421 1.699 1.00 0.00 C ATOM 789 OG SER A 51 1.072 41.300 2.210 1.00 0.00 O ATOM 0 H SER A 51 3.904 38.442 1.619 1.00 0.00 H new ATOM 0 HA SER A 51 3.197 40.667 3.512 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.711 40.952 1.002 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.592 39.611 1.142 1.00 0.00 H new ATOM 0 HG SER A 51 0.545 41.665 1.469 1.00 0.00 H new ATOM 795 N GLU A 52 1.272 39.332 4.590 1.00 0.00 N ATOM 796 CA GLU A 52 0.422 38.412 5.394 1.00 0.00 C ATOM 797 C GLU A 52 -1.050 38.645 5.047 1.00 0.00 C ATOM 798 O GLU A 52 -1.940 38.098 5.668 1.00 0.00 O ATOM 799 CB GLU A 52 0.642 38.685 6.884 1.00 0.00 C ATOM 800 CG GLU A 52 2.136 38.582 7.205 1.00 0.00 C ATOM 801 CD GLU A 52 2.375 38.999 8.657 1.00 0.00 C ATOM 802 OE1 GLU A 52 1.460 39.541 9.256 1.00 0.00 O ATOM 803 OE2 GLU A 52 3.468 38.770 9.146 1.00 0.00 O ATOM 0 H GLU A 52 1.200 40.319 4.839 1.00 0.00 H new ATOM 0 HA GLU A 52 0.691 37.380 5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.271 39.677 7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.080 37.969 7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.483 37.561 7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.708 39.221 6.533 1.00 0.00 H new ATOM 810 N GLU A 53 -1.314 39.457 4.058 1.00 0.00 N ATOM 811 CA GLU A 53 -2.728 39.726 3.673 1.00 0.00 C ATOM 812 C GLU A 53 -2.966 39.255 2.235 1.00 0.00 C ATOM 813 O GLU A 53 -2.559 39.895 1.287 1.00 0.00 O ATOM 814 CB GLU A 53 -3.005 41.227 3.772 1.00 0.00 C ATOM 815 CG GLU A 53 -2.977 41.654 5.241 1.00 0.00 C ATOM 816 CD GLU A 53 -3.545 43.069 5.373 1.00 0.00 C ATOM 817 OE1 GLU A 53 -3.877 43.650 4.354 1.00 0.00 O ATOM 818 OE2 GLU A 53 -3.635 43.547 6.492 1.00 0.00 O ATOM 0 H GLU A 53 -0.612 39.945 3.501 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.396 39.188 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.258 41.784 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.976 41.458 3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.561 40.959 5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.955 41.624 5.620 1.00 0.00 H new ATOM 825 N TRP A 54 -3.625 38.142 2.071 1.00 0.00 N ATOM 826 CA TRP A 54 -3.895 37.627 0.698 1.00 0.00 C ATOM 827 C TRP A 54 -4.752 38.633 -0.072 1.00 0.00 C ATOM 828 O TRP A 54 -5.642 39.256 0.473 1.00 0.00 O ATOM 829 CB TRP A 54 -4.638 36.293 0.792 1.00 0.00 C ATOM 830 CG TRP A 54 -3.669 35.201 1.116 1.00 0.00 C ATOM 831 CD1 TRP A 54 -3.101 34.997 2.327 1.00 0.00 C ATOM 832 CD2 TRP A 54 -3.147 34.162 0.239 1.00 0.00 C ATOM 833 NE1 TRP A 54 -2.264 33.899 2.248 1.00 0.00 N ATOM 834 CE2 TRP A 54 -2.257 33.350 0.981 1.00 0.00 C ATOM 835 CE3 TRP A 54 -3.356 33.849 -1.116 1.00 0.00 C ATOM 836 CZ2 TRP A 54 -1.599 32.265 0.400 1.00 0.00 C ATOM 837 CZ3 TRP A 54 -2.696 32.759 -1.704 1.00 0.00 C ATOM 838 CH2 TRP A 54 -1.820 31.969 -0.947 1.00 0.00 C ATOM 0 H TRP A 54 -3.989 37.565 2.829 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.950 37.484 0.175 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.409 36.348 1.560 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.142 36.078 -0.151 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.273 35.594 3.210 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.718 33.538 3.031 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.029 34.452 -1.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.925 31.659 0.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.864 32.528 -2.745 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.316 31.131 -1.405 1.00 0.00 H new ATOM 849 N GLU A 55 -4.488 38.794 -1.342 1.00 0.00 N ATOM 850 CA GLU A 55 -5.279 39.754 -2.162 1.00 0.00 C ATOM 851 C GLU A 55 -6.229 38.976 -3.075 1.00 0.00 C ATOM 852 O GLU A 55 -5.856 37.988 -3.676 1.00 0.00 O ATOM 853 CB GLU A 55 -4.330 40.599 -3.016 1.00 0.00 C ATOM 854 CG GLU A 55 -4.071 41.936 -2.321 1.00 0.00 C ATOM 855 CD GLU A 55 -2.934 42.670 -3.035 1.00 0.00 C ATOM 856 OE1 GLU A 55 -2.624 42.295 -4.154 1.00 0.00 O ATOM 857 OE2 GLU A 55 -2.392 43.594 -2.451 1.00 0.00 O ATOM 0 H GLU A 55 -3.754 38.298 -1.848 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.855 40.407 -1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.390 40.068 -3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.764 40.768 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.975 42.545 -2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.811 41.770 -1.275 1.00 0.00 H new ATOM 864 N PRO A 56 -7.486 39.431 -3.172 1.00 0.00 N ATOM 865 CA PRO A 56 -8.503 38.777 -4.006 1.00 0.00 C ATOM 866 C PRO A 56 -8.244 38.982 -5.502 1.00 0.00 C ATOM 867 O PRO A 56 -7.745 40.007 -5.923 1.00 0.00 O ATOM 868 CB PRO A 56 -9.799 39.480 -3.605 1.00 0.00 C ATOM 869 CG PRO A 56 -9.366 40.815 -3.098 1.00 0.00 C ATOM 870 CD PRO A 56 -8.014 40.616 -2.473 1.00 0.00 C ATOM 0 HA PRO A 56 -8.517 37.698 -3.854 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.475 39.579 -4.455 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.332 38.919 -2.838 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.315 41.540 -3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.077 41.202 -2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.373 41.486 -2.616 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.089 40.449 -1.399 1.00 0.00 H new ATOM 878 N LEU A 57 -8.591 38.016 -6.309 1.00 0.00 N ATOM 879 CA LEU A 57 -8.379 38.153 -7.779 1.00 0.00 C ATOM 880 C LEU A 57 -9.736 38.345 -8.456 1.00 0.00 C ATOM 881 O LEU A 57 -10.739 37.835 -7.996 1.00 0.00 O ATOM 882 CB LEU A 57 -7.717 36.884 -8.321 1.00 0.00 C ATOM 883 CG LEU A 57 -6.229 36.892 -7.970 1.00 0.00 C ATOM 884 CD1 LEU A 57 -6.056 36.671 -6.467 1.00 0.00 C ATOM 885 CD2 LEU A 57 -5.518 35.775 -8.736 1.00 0.00 C ATOM 0 H LEU A 57 -9.013 37.136 -6.013 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.736 39.009 -7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.196 36.002 -7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.846 36.828 -9.402 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.797 37.854 -8.246 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.995 36.677 -6.218 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.561 37.468 -5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.489 35.710 -6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.457 35.781 -8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.951 34.813 -8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.639 35.934 -9.807 1.00 0.00 H new ATOM 897 N THR A 58 -9.790 39.070 -9.540 1.00 0.00 N ATOM 898 CA THR A 58 -11.102 39.270 -10.214 1.00 0.00 C ATOM 899 C THR A 58 -11.244 38.254 -11.347 1.00 0.00 C ATOM 900 O THR A 58 -10.397 38.153 -12.214 1.00 0.00 O ATOM 901 CB THR A 58 -11.187 40.690 -10.780 1.00 0.00 C ATOM 902 OG1 THR A 58 -10.968 41.628 -9.736 1.00 0.00 O ATOM 903 CG2 THR A 58 -12.569 40.918 -11.394 1.00 0.00 C ATOM 0 H THR A 58 -8.993 39.527 -9.983 1.00 0.00 H new ATOM 0 HA THR A 58 -11.906 39.129 -9.492 1.00 0.00 H new ATOM 0 HB THR A 58 -10.427 40.819 -11.550 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.020 42.538 -10.097 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.626 41.930 -11.796 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.734 40.199 -12.196 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.333 40.788 -10.628 1.00 0.00 H new ATOM 911 N LYS A 59 -12.306 37.495 -11.349 1.00 0.00 N ATOM 912 CA LYS A 59 -12.492 36.487 -12.428 1.00 0.00 C ATOM 913 C LYS A 59 -12.788 37.210 -13.741 1.00 0.00 C ATOM 914 O LYS A 59 -13.834 37.807 -13.904 1.00 0.00 O ATOM 915 CB LYS A 59 -13.664 35.574 -12.074 1.00 0.00 C ATOM 916 CG LYS A 59 -13.501 34.242 -12.807 1.00 0.00 C ATOM 917 CD LYS A 59 -14.330 33.166 -12.104 1.00 0.00 C ATOM 918 CE LYS A 59 -14.022 31.802 -12.725 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.867 30.759 -12.078 1.00 0.00 N ATOM 0 H LYS A 59 -13.050 37.530 -10.652 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.587 35.889 -12.533 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.700 35.409 -10.997 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.606 36.045 -12.355 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.822 34.344 -13.844 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.451 33.952 -12.826 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.101 33.153 -11.038 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.393 33.390 -12.199 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.214 31.827 -13.798 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.967 31.562 -12.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.658 29.832 -12.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.662 30.730 -11.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.871 30.987 -12.223 1.00 0.00 H new ATOM 933 N LYS A 60 -11.884 37.172 -14.680 1.00 0.00 N ATOM 934 CA LYS A 60 -12.140 37.871 -15.970 1.00 0.00 C ATOM 935 C LYS A 60 -12.309 36.840 -17.088 1.00 0.00 C ATOM 936 O LYS A 60 -11.360 36.211 -17.514 1.00 0.00 O ATOM 937 CB LYS A 60 -10.964 38.795 -16.291 1.00 0.00 C ATOM 938 CG LYS A 60 -10.962 39.973 -15.315 1.00 0.00 C ATOM 939 CD LYS A 60 -10.825 41.281 -16.097 1.00 0.00 C ATOM 940 CE LYS A 60 -11.279 42.449 -15.219 1.00 0.00 C ATOM 941 NZ LYS A 60 -10.989 43.735 -15.916 1.00 0.00 N ATOM 0 H LYS A 60 -10.987 36.692 -14.612 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.052 38.463 -15.888 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.025 38.246 -16.217 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.042 39.158 -17.316 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.884 39.979 -14.733 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.139 39.872 -14.607 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.790 41.426 -16.407 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.426 41.239 -17.005 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.346 42.368 -15.010 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.763 42.419 -14.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.297 44.530 -15.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.967 43.811 -16.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.500 43.762 -16.821 1.00 0.00 H new ATOM 955 N GLY A 61 -13.510 36.659 -17.564 1.00 0.00 N ATOM 956 CA GLY A 61 -13.740 35.667 -18.652 1.00 0.00 C ATOM 957 C GLY A 61 -13.412 34.265 -18.138 1.00 0.00 C ATOM 958 O GLY A 61 -14.243 33.594 -17.559 1.00 0.00 O ATOM 0 H GLY A 61 -14.343 37.155 -17.246 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.777 35.711 -18.986 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.117 35.905 -19.514 1.00 0.00 H new ATOM 962 N ASN A 62 -12.203 33.817 -18.341 1.00 0.00 N ATOM 963 CA ASN A 62 -11.820 32.459 -17.860 1.00 0.00 C ATOM 964 C ASN A 62 -10.455 32.531 -17.174 1.00 0.00 C ATOM 965 O ASN A 62 -9.770 31.538 -17.023 1.00 0.00 O ATOM 966 CB ASN A 62 -11.745 31.499 -19.049 1.00 0.00 C ATOM 967 CG ASN A 62 -13.153 31.025 -19.409 1.00 0.00 C ATOM 968 OD1 ASN A 62 -14.060 31.110 -18.606 1.00 0.00 O ATOM 969 ND2 ASN A 62 -13.376 30.524 -20.594 1.00 0.00 N ATOM 0 H ASN A 62 -11.464 34.333 -18.819 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.565 32.099 -17.151 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.287 31.997 -19.904 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.114 30.645 -18.802 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.312 30.204 -20.845 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -12.615 30.452 -21.269 1.00 0.00 H new ATOM 976 N VAL A 63 -10.053 33.701 -16.759 1.00 0.00 N ATOM 977 CA VAL A 63 -8.732 33.841 -16.084 1.00 0.00 C ATOM 978 C VAL A 63 -8.906 34.636 -14.789 1.00 0.00 C ATOM 979 O VAL A 63 -10.009 34.944 -14.381 1.00 0.00 O ATOM 980 CB VAL A 63 -7.766 34.585 -17.007 1.00 0.00 C ATOM 981 CG1 VAL A 63 -7.507 33.748 -18.260 1.00 0.00 C ATOM 982 CG2 VAL A 63 -8.379 35.928 -17.408 1.00 0.00 C ATOM 0 H VAL A 63 -10.583 34.567 -16.858 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.333 32.853 -15.857 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.824 34.755 -16.485 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.818 34.280 -18.917 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.070 32.791 -17.974 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.448 33.576 -18.783 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.692 36.460 -18.066 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.321 35.757 -17.929 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.562 36.526 -16.515 1.00 0.00 H new ATOM 992 N TRP A 64 -7.826 34.976 -14.143 1.00 0.00 N ATOM 993 CA TRP A 64 -7.927 35.757 -12.879 1.00 0.00 C ATOM 994 C TRP A 64 -6.890 36.880 -12.900 1.00 0.00 C ATOM 995 O TRP A 64 -5.713 36.646 -13.094 1.00 0.00 O ATOM 996 CB TRP A 64 -7.663 34.836 -11.687 1.00 0.00 C ATOM 997 CG TRP A 64 -8.801 33.880 -11.534 1.00 0.00 C ATOM 998 CD1 TRP A 64 -8.988 32.767 -12.282 1.00 0.00 C ATOM 999 CD2 TRP A 64 -9.911 33.930 -10.591 1.00 0.00 C ATOM 1000 NE1 TRP A 64 -10.141 32.131 -11.858 1.00 0.00 N ATOM 1001 CE2 TRP A 64 -10.745 32.810 -10.818 1.00 0.00 C ATOM 1002 CE3 TRP A 64 -10.271 34.829 -9.571 1.00 0.00 C ATOM 1003 CZ2 TRP A 64 -11.896 32.589 -10.059 1.00 0.00 C ATOM 1004 CZ3 TRP A 64 -11.428 34.610 -8.805 1.00 0.00 C ATOM 1005 CH2 TRP A 64 -12.239 33.492 -9.050 1.00 0.00 C ATOM 0 H TRP A 64 -6.876 34.746 -14.436 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.926 36.183 -12.789 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.732 34.289 -11.836 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.545 35.425 -10.778 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.342 32.431 -13.080 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -10.501 31.267 -12.264 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.654 35.693 -9.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -12.517 31.726 -10.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -11.694 35.306 -8.023 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -13.128 33.329 -8.459 1.00 0.00 H new ATOM 1016 N GLU A 65 -7.313 38.100 -12.712 1.00 0.00 N ATOM 1017 CA GLU A 65 -6.344 39.230 -12.731 1.00 0.00 C ATOM 1018 C GLU A 65 -6.279 39.878 -11.348 1.00 0.00 C ATOM 1019 O GLU A 65 -7.242 39.882 -10.606 1.00 0.00 O ATOM 1020 CB GLU A 65 -6.793 40.267 -13.762 1.00 0.00 C ATOM 1021 CG GLU A 65 -5.972 41.547 -13.591 1.00 0.00 C ATOM 1022 CD GLU A 65 -6.403 42.571 -14.642 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -7.462 42.387 -15.220 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -5.667 43.522 -14.850 1.00 0.00 O ATOM 0 H GLU A 65 -8.285 38.362 -12.547 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.356 38.855 -12.998 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.665 39.872 -14.770 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.854 40.484 -13.637 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.116 41.954 -12.590 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.909 41.327 -13.695 1.00 0.00 H new ATOM 1031 N VAL A 66 -5.148 40.425 -10.997 1.00 0.00 N ATOM 1032 CA VAL A 66 -5.016 41.075 -9.663 1.00 0.00 C ATOM 1033 C VAL A 66 -4.165 42.338 -9.794 1.00 0.00 C ATOM 1034 O VAL A 66 -3.157 42.349 -10.472 1.00 0.00 O ATOM 1035 CB VAL A 66 -4.338 40.109 -8.689 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -2.910 39.827 -9.161 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -4.300 40.735 -7.293 1.00 0.00 C ATOM 0 H VAL A 66 -4.309 40.450 -11.577 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.006 41.337 -9.289 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.900 39.175 -8.653 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.427 39.139 -8.467 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.937 39.381 -10.155 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.348 40.760 -9.197 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.817 40.047 -6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.739 41.669 -7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.317 40.936 -6.956 1.00 0.00 H new ATOM 1047 N LYS A 67 -4.558 43.403 -9.151 1.00 0.00 N ATOM 1048 CA LYS A 67 -3.761 44.659 -9.243 1.00 0.00 C ATOM 1049 C LYS A 67 -3.287 45.066 -7.847 1.00 0.00 C ATOM 1050 O LYS A 67 -4.055 45.138 -6.910 1.00 0.00 O ATOM 1051 CB LYS A 67 -4.621 45.771 -9.846 1.00 0.00 C ATOM 1052 CG LYS A 67 -5.277 45.267 -11.132 1.00 0.00 C ATOM 1053 CD LYS A 67 -6.219 46.341 -11.680 1.00 0.00 C ATOM 1054 CE LYS A 67 -7.008 45.771 -12.860 1.00 0.00 C ATOM 1055 NZ LYS A 67 -6.358 46.180 -14.136 1.00 0.00 N ATOM 0 H LYS A 67 -5.393 43.458 -8.568 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.894 44.493 -9.882 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.385 46.082 -9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.007 46.646 -10.057 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.514 45.026 -11.872 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.831 44.349 -10.935 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.902 46.674 -10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.648 47.213 -11.998 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.049 44.684 -12.793 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.036 46.131 -12.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.058 46.647 -14.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.580 46.840 -13.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.982 45.339 -14.619 1.00 0.00 H new ATOM 1069 N SER A 68 -2.016 45.328 -7.711 1.00 0.00 N ATOM 1070 CA SER A 68 -1.461 45.727 -6.387 1.00 0.00 C ATOM 1071 C SER A 68 -0.870 47.134 -6.484 1.00 0.00 C ATOM 1072 O SER A 68 -0.114 47.437 -7.385 1.00 0.00 O ATOM 1073 CB SER A 68 -0.356 44.746 -5.993 1.00 0.00 C ATOM 1074 OG SER A 68 0.138 45.082 -4.704 1.00 0.00 O ATOM 0 H SER A 68 -1.333 45.282 -8.467 1.00 0.00 H new ATOM 0 HA SER A 68 -2.254 45.715 -5.639 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.743 43.727 -5.992 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.452 44.779 -6.724 1.00 0.00 H new ATOM 0 HG SER A 68 0.742 44.376 -4.391 1.00 0.00 H new ATOM 1080 N SER A 69 -1.200 47.994 -5.559 1.00 0.00 N ATOM 1081 CA SER A 69 -0.643 49.374 -5.605 1.00 0.00 C ATOM 1082 C SER A 69 0.881 49.299 -5.498 1.00 0.00 C ATOM 1083 O SER A 69 1.582 50.255 -5.762 1.00 0.00 O ATOM 1084 CB SER A 69 -1.200 50.190 -4.436 1.00 0.00 C ATOM 1085 OG SER A 69 -0.745 51.531 -4.535 1.00 0.00 O ATOM 0 H SER A 69 -1.827 47.802 -4.778 1.00 0.00 H new ATOM 0 HA SER A 69 -0.923 49.854 -6.543 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.290 50.163 -4.446 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.879 49.755 -3.489 1.00 0.00 H new ATOM 0 HG SER A 69 -1.103 52.054 -3.787 1.00 0.00 H new ATOM 1091 N LYS A 70 1.398 48.163 -5.112 1.00 0.00 N ATOM 1092 CA LYS A 70 2.875 48.012 -4.986 1.00 0.00 C ATOM 1093 C LYS A 70 3.362 46.968 -5.993 1.00 0.00 C ATOM 1094 O LYS A 70 2.577 46.248 -6.577 1.00 0.00 O ATOM 1095 CB LYS A 70 3.215 47.551 -3.567 1.00 0.00 C ATOM 1096 CG LYS A 70 3.233 48.760 -2.629 1.00 0.00 C ATOM 1097 CD LYS A 70 2.361 48.468 -1.406 1.00 0.00 C ATOM 1098 CE LYS A 70 0.907 48.829 -1.719 1.00 0.00 C ATOM 1099 NZ LYS A 70 0.689 50.280 -1.457 1.00 0.00 N ATOM 0 H LYS A 70 0.858 47.330 -4.878 1.00 0.00 H new ATOM 0 HA LYS A 70 3.363 48.966 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.481 46.822 -3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.185 47.055 -3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.255 48.977 -2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.864 49.644 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.435 47.415 -1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.713 49.042 -0.549 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.679 48.598 -2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.232 48.232 -1.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.326 50.496 -1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.034 50.516 -0.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.207 50.842 -2.162 1.00 0.00 H new ATOM 1113 N PRO A 71 4.685 46.886 -6.201 1.00 0.00 N ATOM 1114 CA PRO A 71 5.279 45.925 -7.139 1.00 0.00 C ATOM 1115 C PRO A 71 5.124 44.482 -6.649 1.00 0.00 C ATOM 1116 O PRO A 71 5.441 44.160 -5.521 1.00 0.00 O ATOM 1117 CB PRO A 71 6.755 46.317 -7.168 1.00 0.00 C ATOM 1118 CG PRO A 71 6.986 46.999 -5.863 1.00 0.00 C ATOM 1119 CD PRO A 71 5.707 47.718 -5.539 1.00 0.00 C ATOM 0 HA PRO A 71 4.799 45.957 -8.117 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.396 45.442 -7.277 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.973 46.979 -8.006 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.236 46.278 -5.085 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.820 47.698 -5.930 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.541 47.783 -4.464 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.708 48.738 -5.923 1.00 0.00 H new ATOM 1127 N LEU A 72 4.636 43.614 -7.491 1.00 0.00 N ATOM 1128 CA LEU A 72 4.453 42.192 -7.081 1.00 0.00 C ATOM 1129 C LEU A 72 5.813 41.569 -6.765 1.00 0.00 C ATOM 1130 O LEU A 72 6.803 41.845 -7.414 1.00 0.00 O ATOM 1131 CB LEU A 72 3.784 41.416 -8.217 1.00 0.00 C ATOM 1132 CG LEU A 72 2.522 42.156 -8.663 1.00 0.00 C ATOM 1133 CD1 LEU A 72 2.327 41.968 -10.169 1.00 0.00 C ATOM 1134 CD2 LEU A 72 1.310 41.594 -7.918 1.00 0.00 C ATOM 0 H LEU A 72 4.355 43.828 -8.448 1.00 0.00 H new ATOM 0 HA LEU A 72 3.823 42.149 -6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.473 41.311 -9.055 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.530 40.409 -7.885 1.00 0.00 H new ATOM 0 HG LEU A 72 2.625 43.218 -8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.428 42.495 -10.488 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.190 42.369 -10.700 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.224 40.906 -10.393 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.411 42.122 -8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.206 40.532 -8.141 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.449 41.727 -6.845 1.00 0.00 H new ATOM 1146 N VAL A 73 5.868 40.730 -5.767 1.00 0.00 N ATOM 1147 CA VAL A 73 7.159 40.086 -5.401 1.00 0.00 C ATOM 1148 C VAL A 73 6.994 38.565 -5.423 1.00 0.00 C ATOM 1149 O VAL A 73 6.139 38.013 -4.758 1.00 0.00 O ATOM 1150 CB VAL A 73 7.569 40.533 -3.997 1.00 0.00 C ATOM 1151 CG1 VAL A 73 8.988 40.042 -3.699 1.00 0.00 C ATOM 1152 CG2 VAL A 73 7.531 42.061 -3.919 1.00 0.00 C ATOM 0 H VAL A 73 5.072 40.463 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 73 7.928 40.379 -6.116 1.00 0.00 H new ATOM 0 HB VAL A 73 6.879 40.113 -3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.281 40.360 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.016 38.954 -3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.679 40.462 -4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.823 42.382 -2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.222 42.480 -4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.521 42.411 -4.132 1.00 0.00 H new ATOM 1162 N GLY A 74 7.808 37.884 -6.181 1.00 0.00 N ATOM 1163 CA GLY A 74 7.703 36.398 -6.246 1.00 0.00 C ATOM 1164 C GLY A 74 8.647 35.774 -5.216 1.00 0.00 C ATOM 1165 O GLY A 74 9.533 36.427 -4.700 1.00 0.00 O ATOM 0 H GLY A 74 8.542 38.292 -6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.677 36.086 -6.050 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.957 36.048 -7.247 1.00 0.00 H new ATOM 1169 N PRO A 75 8.450 34.482 -4.912 1.00 0.00 N ATOM 1170 CA PRO A 75 7.387 33.672 -5.522 1.00 0.00 C ATOM 1171 C PRO A 75 5.995 34.114 -5.061 1.00 0.00 C ATOM 1172 O PRO A 75 5.808 34.568 -3.951 1.00 0.00 O ATOM 1173 CB PRO A 75 7.683 32.258 -5.028 1.00 0.00 C ATOM 1174 CG PRO A 75 8.441 32.456 -3.759 1.00 0.00 C ATOM 1175 CD PRO A 75 9.250 33.708 -3.946 1.00 0.00 C ATOM 0 HA PRO A 75 7.378 33.762 -6.608 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.764 31.697 -4.858 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.269 31.698 -5.757 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.763 32.554 -2.911 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.087 31.602 -3.554 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.381 34.247 -3.008 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.246 33.490 -4.331 1.00 0.00 H new ATOM 1183 N PHE A 76 5.023 33.992 -5.920 1.00 0.00 N ATOM 1184 CA PHE A 76 3.640 34.413 -5.562 1.00 0.00 C ATOM 1185 C PHE A 76 2.863 33.237 -4.967 1.00 0.00 C ATOM 1186 O PHE A 76 3.055 32.094 -5.342 1.00 0.00 O ATOM 1187 CB PHE A 76 2.929 34.893 -6.827 1.00 0.00 C ATOM 1188 CG PHE A 76 3.658 36.092 -7.382 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.688 37.289 -6.657 1.00 0.00 C ATOM 1190 CD2 PHE A 76 4.307 36.007 -8.619 1.00 0.00 C ATOM 1191 CE1 PHE A 76 4.368 38.400 -7.169 1.00 0.00 C ATOM 1192 CE2 PHE A 76 4.987 37.118 -9.132 1.00 0.00 C ATOM 1193 CZ PHE A 76 5.017 38.315 -8.407 1.00 0.00 C ATOM 0 H PHE A 76 5.128 33.616 -6.862 1.00 0.00 H new ATOM 0 HA PHE A 76 3.688 35.214 -4.824 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.901 34.094 -7.568 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.895 35.154 -6.601 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.187 37.355 -5.703 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.283 35.083 -9.178 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.392 39.323 -6.609 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.488 37.052 -10.086 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.541 39.173 -8.802 1.00 0.00 H new ATOM 1203 N ASN A 77 1.969 33.512 -4.056 1.00 0.00 N ATOM 1204 CA ASN A 77 1.157 32.420 -3.448 1.00 0.00 C ATOM 1205 C ASN A 77 -0.280 32.526 -3.970 1.00 0.00 C ATOM 1206 O ASN A 77 -0.792 33.609 -4.176 1.00 0.00 O ATOM 1207 CB ASN A 77 1.162 32.565 -1.924 1.00 0.00 C ATOM 1208 CG ASN A 77 2.604 32.674 -1.426 1.00 0.00 C ATOM 1209 OD1 ASN A 77 3.311 31.687 -1.356 1.00 0.00 O ATOM 1210 ND2 ASN A 77 3.074 33.839 -1.073 1.00 0.00 N ATOM 0 H ASN A 77 1.766 34.448 -3.706 1.00 0.00 H new ATOM 0 HA ASN A 77 1.578 31.451 -3.715 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.597 33.450 -1.631 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.671 31.707 -1.465 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.034 33.922 -0.739 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.481 34.667 -1.132 1.00 0.00 H new ATOM 1217 N PHE A 78 -0.934 31.419 -4.192 1.00 0.00 N ATOM 1218 CA PHE A 78 -2.333 31.478 -4.709 1.00 0.00 C ATOM 1219 C PHE A 78 -3.222 30.513 -3.919 1.00 0.00 C ATOM 1220 O PHE A 78 -2.940 29.334 -3.824 1.00 0.00 O ATOM 1221 CB PHE A 78 -2.347 31.072 -6.185 1.00 0.00 C ATOM 1222 CG PHE A 78 -1.654 32.124 -7.020 1.00 0.00 C ATOM 1223 CD1 PHE A 78 -0.260 32.109 -7.152 1.00 0.00 C ATOM 1224 CD2 PHE A 78 -2.407 33.109 -7.670 1.00 0.00 C ATOM 1225 CE1 PHE A 78 0.381 33.080 -7.934 1.00 0.00 C ATOM 1226 CE2 PHE A 78 -1.767 34.080 -8.451 1.00 0.00 C ATOM 1227 CZ PHE A 78 -0.373 34.066 -8.584 1.00 0.00 C ATOM 0 H PHE A 78 -0.564 30.481 -4.039 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.711 32.494 -4.598 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.849 30.111 -6.310 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.375 30.945 -6.526 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.322 31.349 -6.651 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.482 33.120 -7.569 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.456 33.068 -8.035 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.349 34.840 -8.951 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.120 34.814 -9.187 1.00 0.00 H new ATOM 1237 N ARG A 79 -4.306 30.993 -3.364 1.00 0.00 N ATOM 1238 CA ARG A 79 -5.211 30.084 -2.601 1.00 0.00 C ATOM 1239 C ARG A 79 -6.492 29.868 -3.411 1.00 0.00 C ATOM 1240 O ARG A 79 -6.976 30.762 -4.077 1.00 0.00 O ATOM 1241 CB ARG A 79 -5.550 30.694 -1.240 1.00 0.00 C ATOM 1242 CG ARG A 79 -6.184 29.624 -0.349 1.00 0.00 C ATOM 1243 CD ARG A 79 -6.566 30.239 0.999 1.00 0.00 C ATOM 1244 NE ARG A 79 -7.655 29.435 1.621 1.00 0.00 N ATOM 1245 CZ ARG A 79 -8.209 29.833 2.734 1.00 0.00 C ATOM 1246 NH1 ARG A 79 -9.231 30.642 2.700 1.00 0.00 N ATOM 1247 NH2 ARG A 79 -7.739 29.421 3.880 1.00 0.00 N ATOM 0 H ARG A 79 -4.601 31.968 -3.406 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.713 29.129 -2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.648 31.087 -0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.236 31.532 -1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.067 29.209 -0.834 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.486 28.800 -0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.698 30.266 1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.894 31.269 0.861 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.968 28.572 1.176 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.597 30.964 1.804 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.664 30.953 3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.939 28.788 3.905 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.171 29.732 4.750 1.00 0.00 H new ATOM 1261 N PHE A 80 -7.025 28.678 -3.385 1.00 0.00 N ATOM 1262 CA PHE A 80 -8.251 28.389 -4.184 1.00 0.00 C ATOM 1263 C PHE A 80 -9.371 27.843 -3.298 1.00 0.00 C ATOM 1264 O PHE A 80 -9.139 27.080 -2.385 1.00 0.00 O ATOM 1265 CB PHE A 80 -7.907 27.332 -5.226 1.00 0.00 C ATOM 1266 CG PHE A 80 -7.206 27.989 -6.390 1.00 0.00 C ATOM 1267 CD1 PHE A 80 -5.902 28.473 -6.235 1.00 0.00 C ATOM 1268 CD2 PHE A 80 -7.857 28.117 -7.621 1.00 0.00 C ATOM 1269 CE1 PHE A 80 -5.250 29.086 -7.310 1.00 0.00 C ATOM 1270 CE2 PHE A 80 -7.205 28.729 -8.696 1.00 0.00 C ATOM 1271 CZ PHE A 80 -5.902 29.214 -8.541 1.00 0.00 C ATOM 0 H PHE A 80 -6.665 27.892 -2.845 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.591 29.314 -4.649 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -7.268 26.566 -4.787 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.814 26.833 -5.567 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.399 28.373 -5.285 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.863 27.743 -7.741 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.244 29.460 -7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.708 28.827 -9.647 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.400 29.687 -9.372 1.00 0.00 H new ATOM 1281 N MET A 81 -10.592 28.210 -3.580 1.00 0.00 N ATOM 1282 CA MET A 81 -11.730 27.688 -2.770 1.00 0.00 C ATOM 1283 C MET A 81 -12.753 27.060 -3.716 1.00 0.00 C ATOM 1284 O MET A 81 -13.198 27.673 -4.666 1.00 0.00 O ATOM 1285 CB MET A 81 -12.374 28.822 -1.970 1.00 0.00 C ATOM 1286 CG MET A 81 -13.732 28.362 -1.435 1.00 0.00 C ATOM 1287 SD MET A 81 -14.516 29.718 -0.529 1.00 0.00 S ATOM 1288 CE MET A 81 -14.366 29.003 1.126 1.00 0.00 C ATOM 0 H MET A 81 -10.850 28.847 -4.334 1.00 0.00 H new ATOM 0 HA MET A 81 -11.370 26.938 -2.066 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.725 29.112 -1.144 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.499 29.702 -2.602 1.00 0.00 H new ATOM 0 HG2 MET A 81 -14.371 28.044 -2.259 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.604 27.500 -0.781 1.00 0.00 H new ATOM 0 HE1 MET A 81 -15.283 29.186 1.686 1.00 0.00 H new ATOM 0 HE2 MET A 81 -14.199 27.929 1.045 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.525 29.462 1.646 1.00 0.00 H new ATOM 1298 N SER A 82 -13.109 25.825 -3.478 1.00 0.00 N ATOM 1299 CA SER A 82 -14.074 25.141 -4.380 1.00 0.00 C ATOM 1300 C SER A 82 -15.489 25.676 -4.146 1.00 0.00 C ATOM 1301 O SER A 82 -15.862 25.992 -3.032 1.00 0.00 O ATOM 1302 CB SER A 82 -14.055 23.641 -4.086 1.00 0.00 C ATOM 1303 OG SER A 82 -14.849 23.378 -2.940 1.00 0.00 O ATOM 0 H SER A 82 -12.772 25.262 -2.697 1.00 0.00 H new ATOM 0 HA SER A 82 -13.788 25.328 -5.415 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.437 23.086 -4.943 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.032 23.304 -3.919 1.00 0.00 H new ATOM 0 HG SER A 82 -15.782 23.251 -3.211 1.00 0.00 H new ATOM 1309 N LYS A 83 -16.286 25.752 -5.175 1.00 0.00 N ATOM 1310 CA LYS A 83 -17.684 26.241 -4.996 1.00 0.00 C ATOM 1311 C LYS A 83 -18.334 25.465 -3.848 1.00 0.00 C ATOM 1312 O LYS A 83 -19.013 26.026 -3.011 1.00 0.00 O ATOM 1313 CB LYS A 83 -18.478 26.015 -6.285 1.00 0.00 C ATOM 1314 CG LYS A 83 -17.870 26.854 -7.412 1.00 0.00 C ATOM 1315 CD LYS A 83 -18.689 26.661 -8.690 1.00 0.00 C ATOM 1316 CE LYS A 83 -18.455 27.848 -9.627 1.00 0.00 C ATOM 1317 NZ LYS A 83 -19.666 28.716 -9.642 1.00 0.00 N ATOM 0 H LYS A 83 -16.032 25.498 -6.130 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.677 27.306 -4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.462 24.959 -6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.522 26.290 -6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.858 27.907 -7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.835 26.558 -7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.401 25.732 -9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -19.748 26.578 -8.447 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.588 28.420 -9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.237 27.492 -10.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -19.507 29.523 -10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.483 28.166 -9.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.854 29.066 -8.681 1.00 0.00 H new ATOM 1331 N GLY A 84 -18.124 24.177 -3.804 1.00 0.00 N ATOM 1332 CA GLY A 84 -18.722 23.352 -2.711 1.00 0.00 C ATOM 1333 C GLY A 84 -18.298 23.907 -1.345 1.00 0.00 C ATOM 1334 O GLY A 84 -18.745 23.445 -0.314 1.00 0.00 O ATOM 0 H GLY A 84 -17.563 23.658 -4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.809 23.357 -2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.399 22.315 -2.808 1.00 0.00 H new ATOM 1338 N GLY A 85 -17.451 24.901 -1.329 1.00 0.00 N ATOM 1339 CA GLY A 85 -17.017 25.487 -0.030 1.00 0.00 C ATOM 1340 C GLY A 85 -15.705 24.844 0.421 1.00 0.00 C ATOM 1341 O GLY A 85 -15.410 24.779 1.598 1.00 0.00 O ATOM 0 H GLY A 85 -17.042 25.331 -2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.887 26.564 -0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.787 25.329 0.725 1.00 0.00 H new ATOM 1345 N MET A 86 -14.909 24.373 -0.499 1.00 0.00 N ATOM 1346 CA MET A 86 -13.613 23.747 -0.103 1.00 0.00 C ATOM 1347 C MET A 86 -12.483 24.734 -0.386 1.00 0.00 C ATOM 1348 O MET A 86 -12.608 25.598 -1.226 1.00 0.00 O ATOM 1349 CB MET A 86 -13.390 22.463 -0.905 1.00 0.00 C ATOM 1350 CG MET A 86 -14.625 21.567 -0.788 1.00 0.00 C ATOM 1351 SD MET A 86 -14.146 19.841 -1.051 1.00 0.00 S ATOM 1352 CE MET A 86 -12.982 20.130 -2.406 1.00 0.00 C ATOM 0 H MET A 86 -15.097 24.393 -1.501 1.00 0.00 H new ATOM 0 HA MET A 86 -13.632 23.500 0.958 1.00 0.00 H new ATOM 0 HB2 MET A 86 -13.200 22.703 -1.951 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.510 21.938 -0.534 1.00 0.00 H new ATOM 0 HG2 MET A 86 -15.080 21.683 0.196 1.00 0.00 H new ATOM 0 HG3 MET A 86 -15.374 21.864 -1.523 1.00 0.00 H new ATOM 0 HE1 MET A 86 -12.790 19.192 -2.927 1.00 0.00 H new ATOM 0 HE2 MET A 86 -13.407 20.852 -3.103 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.047 20.520 -2.005 1.00 0.00 H new ATOM 1362 N ARG A 87 -11.390 24.641 0.319 1.00 0.00 N ATOM 1363 CA ARG A 87 -10.283 25.609 0.076 1.00 0.00 C ATOM 1364 C ARG A 87 -8.960 24.875 -0.151 1.00 0.00 C ATOM 1365 O ARG A 87 -8.661 23.889 0.492 1.00 0.00 O ATOM 1366 CB ARG A 87 -10.142 26.529 1.291 1.00 0.00 C ATOM 1367 CG ARG A 87 -11.453 27.284 1.514 1.00 0.00 C ATOM 1368 CD ARG A 87 -11.218 28.430 2.501 1.00 0.00 C ATOM 1369 NE ARG A 87 -12.414 28.587 3.375 1.00 0.00 N ATOM 1370 CZ ARG A 87 -12.437 29.521 4.287 1.00 0.00 C ATOM 1371 NH1 ARG A 87 -11.748 29.376 5.385 1.00 0.00 N ATOM 1372 NH2 ARG A 87 -13.149 30.598 4.100 1.00 0.00 N ATOM 0 H ARG A 87 -11.216 23.946 1.045 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.519 26.191 -0.815 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.892 25.944 2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.326 27.234 1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.826 27.675 0.567 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.214 26.607 1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.336 28.226 3.108 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -11.026 29.356 1.960 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.214 27.965 3.261 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.192 28.533 5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.765 30.105 6.098 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.688 30.710 3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -13.167 31.328 4.813 1.00 0.00 H new ATOM 1386 N ASN A 88 -8.154 25.377 -1.050 1.00 0.00 N ATOM 1387 CA ASN A 88 -6.831 24.749 -1.315 1.00 0.00 C ATOM 1388 C ASN A 88 -5.786 25.864 -1.389 1.00 0.00 C ATOM 1389 O ASN A 88 -6.041 26.924 -1.924 1.00 0.00 O ATOM 1390 CB ASN A 88 -6.872 23.979 -2.636 1.00 0.00 C ATOM 1391 CG ASN A 88 -8.080 23.039 -2.640 1.00 0.00 C ATOM 1392 OD1 ASN A 88 -9.118 23.368 -3.179 1.00 0.00 O ATOM 1393 ND2 ASN A 88 -7.988 21.876 -2.058 1.00 0.00 N ATOM 0 H ASN A 88 -8.360 26.201 -1.615 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.579 24.048 -0.520 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.936 24.674 -3.473 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.953 23.408 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.787 21.242 -2.055 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.117 21.600 -1.605 1.00 0.00 H new ATOM 1400 N VAL A 89 -4.621 25.651 -0.844 1.00 0.00 N ATOM 1401 CA VAL A 89 -3.590 26.725 -0.878 1.00 0.00 C ATOM 1402 C VAL A 89 -2.316 26.223 -1.559 1.00 0.00 C ATOM 1403 O VAL A 89 -1.858 25.124 -1.314 1.00 0.00 O ATOM 1404 CB VAL A 89 -3.260 27.153 0.554 1.00 0.00 C ATOM 1405 CG1 VAL A 89 -2.523 28.493 0.531 1.00 0.00 C ATOM 1406 CG2 VAL A 89 -4.556 27.298 1.356 1.00 0.00 C ATOM 0 H VAL A 89 -4.340 24.787 -0.380 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.982 27.571 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.626 26.398 1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.289 28.797 1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.599 28.390 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.155 29.248 0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.321 27.603 2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.190 28.052 0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.081 26.343 1.375 1.00 0.00 H new ATOM 1416 N PHE A 90 -1.735 27.032 -2.403 1.00 0.00 N ATOM 1417 CA PHE A 90 -0.481 26.621 -3.092 1.00 0.00 C ATOM 1418 C PHE A 90 0.591 27.678 -2.830 1.00 0.00 C ATOM 1419 O PHE A 90 0.414 28.841 -3.132 1.00 0.00 O ATOM 1420 CB PHE A 90 -0.726 26.511 -4.597 1.00 0.00 C ATOM 1421 CG PHE A 90 -1.920 25.624 -4.855 1.00 0.00 C ATOM 1422 CD1 PHE A 90 -1.764 24.233 -4.902 1.00 0.00 C ATOM 1423 CD2 PHE A 90 -3.184 26.194 -5.049 1.00 0.00 C ATOM 1424 CE1 PHE A 90 -2.872 23.413 -5.143 1.00 0.00 C ATOM 1425 CE2 PHE A 90 -4.292 25.372 -5.291 1.00 0.00 C ATOM 1426 CZ PHE A 90 -4.136 23.982 -5.337 1.00 0.00 C ATOM 0 H PHE A 90 -2.077 27.962 -2.645 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.155 25.652 -2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.898 27.501 -5.020 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.156 26.102 -5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.789 23.793 -4.752 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.305 27.267 -5.012 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.752 22.340 -5.179 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.267 25.811 -5.442 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.991 23.348 -5.522 1.00 0.00 H new ATOM 1436 N ASP A 91 1.700 27.289 -2.268 1.00 0.00 N ATOM 1437 CA ASP A 91 2.773 28.281 -1.988 1.00 0.00 C ATOM 1438 C ASP A 91 3.832 28.216 -3.087 1.00 0.00 C ATOM 1439 O ASP A 91 4.102 27.171 -3.647 1.00 0.00 O ATOM 1440 CB ASP A 91 3.418 27.971 -0.637 1.00 0.00 C ATOM 1441 CG ASP A 91 4.160 26.635 -0.720 1.00 0.00 C ATOM 1442 OD1 ASP A 91 3.872 25.877 -1.631 1.00 0.00 O ATOM 1443 OD2 ASP A 91 5.003 26.394 0.128 1.00 0.00 O ATOM 0 H ASP A 91 1.909 26.330 -1.991 1.00 0.00 H new ATOM 0 HA ASP A 91 2.341 29.281 -1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.110 28.767 -0.361 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.655 27.928 0.141 1.00 0.00 H new ATOM 1448 N GLU A 92 4.441 29.326 -3.393 1.00 0.00 N ATOM 1449 CA GLU A 92 5.492 29.342 -4.447 1.00 0.00 C ATOM 1450 C GLU A 92 4.958 28.720 -5.737 1.00 0.00 C ATOM 1451 O GLU A 92 5.566 27.831 -6.301 1.00 0.00 O ATOM 1452 CB GLU A 92 6.702 28.541 -3.962 1.00 0.00 C ATOM 1453 CG GLU A 92 7.034 28.943 -2.524 1.00 0.00 C ATOM 1454 CD GLU A 92 8.393 28.359 -2.132 1.00 0.00 C ATOM 1455 OE1 GLU A 92 8.741 27.315 -2.659 1.00 0.00 O ATOM 1456 OE2 GLU A 92 9.062 28.965 -1.311 1.00 0.00 O ATOM 0 H GLU A 92 4.255 30.228 -2.956 1.00 0.00 H new ATOM 0 HA GLU A 92 5.782 30.374 -4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.489 27.473 -4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.558 28.727 -4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.053 30.029 -2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.261 28.581 -1.846 1.00 0.00 H new ATOM 1463 N VAL A 93 3.834 29.175 -6.224 1.00 0.00 N ATOM 1464 CA VAL A 93 3.290 28.598 -7.486 1.00 0.00 C ATOM 1465 C VAL A 93 3.966 29.277 -8.679 1.00 0.00 C ATOM 1466 O VAL A 93 4.209 28.663 -9.699 1.00 0.00 O ATOM 1467 CB VAL A 93 1.781 28.838 -7.549 1.00 0.00 C ATOM 1468 CG1 VAL A 93 1.274 28.525 -8.958 1.00 0.00 C ATOM 1469 CG2 VAL A 93 1.077 27.928 -6.540 1.00 0.00 C ATOM 0 H VAL A 93 3.273 29.917 -5.805 1.00 0.00 H new ATOM 0 HA VAL A 93 3.485 27.526 -7.514 1.00 0.00 H new ATOM 0 HB VAL A 93 1.568 29.880 -7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.198 28.696 -9.004 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.775 29.173 -9.677 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.487 27.483 -9.198 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.001 28.099 -6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.289 26.886 -6.780 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.438 28.150 -5.536 1.00 0.00 H new ATOM 1479 N ILE A 94 4.277 30.536 -8.556 1.00 0.00 N ATOM 1480 CA ILE A 94 4.945 31.257 -9.676 1.00 0.00 C ATOM 1481 C ILE A 94 6.044 32.155 -9.106 1.00 0.00 C ATOM 1482 O ILE A 94 5.802 32.967 -8.236 1.00 0.00 O ATOM 1483 CB ILE A 94 3.917 32.110 -10.422 1.00 0.00 C ATOM 1484 CG1 ILE A 94 3.000 31.203 -11.246 1.00 0.00 C ATOM 1485 CG2 ILE A 94 4.641 33.082 -11.354 1.00 0.00 C ATOM 1486 CD1 ILE A 94 1.605 31.826 -11.331 1.00 0.00 C ATOM 0 H ILE A 94 4.097 31.100 -7.725 1.00 0.00 H new ATOM 0 HA ILE A 94 5.382 30.538 -10.369 1.00 0.00 H new ATOM 0 HB ILE A 94 3.321 32.671 -9.702 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.410 31.067 -12.247 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.941 30.216 -10.788 1.00 0.00 H new ATOM 0 HG21 ILE A 94 3.909 33.690 -11.886 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.294 33.730 -10.769 1.00 0.00 H new ATOM 0 HG23 ILE A 94 5.237 32.521 -12.073 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.953 31.179 -11.918 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.195 31.940 -10.327 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.672 32.804 -11.808 1.00 0.00 H new ATOM 1498 N PRO A 95 7.279 31.996 -9.603 1.00 0.00 N ATOM 1499 CA PRO A 95 8.426 32.784 -9.138 1.00 0.00 C ATOM 1500 C PRO A 95 8.318 34.255 -9.555 1.00 0.00 C ATOM 1501 O PRO A 95 7.556 34.611 -10.432 1.00 0.00 O ATOM 1502 CB PRO A 95 9.619 32.125 -9.829 1.00 0.00 C ATOM 1503 CG PRO A 95 9.039 31.477 -11.041 1.00 0.00 C ATOM 1504 CD PRO A 95 7.654 31.037 -10.657 1.00 0.00 C ATOM 0 HA PRO A 95 8.501 32.793 -8.051 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.378 32.860 -10.097 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.099 31.393 -9.179 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.008 32.174 -11.878 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.645 30.627 -11.356 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.968 31.080 -11.503 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.644 30.011 -10.290 1.00 0.00 H new ATOM 1512 N THR A 96 9.076 35.110 -8.924 1.00 0.00 N ATOM 1513 CA THR A 96 9.021 36.559 -9.267 1.00 0.00 C ATOM 1514 C THR A 96 9.252 36.748 -10.767 1.00 0.00 C ATOM 1515 O THR A 96 8.651 37.601 -11.391 1.00 0.00 O ATOM 1516 CB THR A 96 10.109 37.305 -8.491 1.00 0.00 C ATOM 1517 OG1 THR A 96 10.071 36.909 -7.127 1.00 0.00 O ATOM 1518 CG2 THR A 96 9.869 38.813 -8.594 1.00 0.00 C ATOM 0 H THR A 96 9.733 34.866 -8.183 1.00 0.00 H new ATOM 0 HA THR A 96 8.040 36.953 -9.001 1.00 0.00 H new ATOM 0 HB THR A 96 11.085 37.066 -8.912 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.768 37.385 -6.629 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.644 39.343 -8.041 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.898 39.115 -9.641 1.00 0.00 H new ATOM 0 HG23 THR A 96 8.893 39.056 -8.174 1.00 0.00 H new ATOM 1526 N ALA A 97 10.121 35.972 -11.355 1.00 0.00 N ATOM 1527 CA ALA A 97 10.380 36.133 -12.812 1.00 0.00 C ATOM 1528 C ALA A 97 9.535 35.131 -13.600 1.00 0.00 C ATOM 1529 O ALA A 97 9.865 33.964 -13.693 1.00 0.00 O ATOM 1530 CB ALA A 97 11.863 35.892 -13.100 1.00 0.00 C ATOM 0 H ALA A 97 10.659 35.239 -10.893 1.00 0.00 H new ATOM 0 HA ALA A 97 10.113 37.146 -13.115 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.050 36.010 -14.167 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.463 36.612 -12.544 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.134 34.881 -12.794 1.00 0.00 H new ATOM 1536 N PHE A 98 8.450 35.574 -14.169 1.00 0.00 N ATOM 1537 CA PHE A 98 7.587 34.646 -14.951 1.00 0.00 C ATOM 1538 C PHE A 98 7.699 34.985 -16.439 1.00 0.00 C ATOM 1539 O PHE A 98 7.921 36.121 -16.810 1.00 0.00 O ATOM 1540 CB PHE A 98 6.135 34.798 -14.498 1.00 0.00 C ATOM 1541 CG PHE A 98 5.715 36.241 -14.640 1.00 0.00 C ATOM 1542 CD1 PHE A 98 5.265 36.720 -15.876 1.00 0.00 C ATOM 1543 CD2 PHE A 98 5.777 37.100 -13.537 1.00 0.00 C ATOM 1544 CE1 PHE A 98 4.877 38.059 -16.008 1.00 0.00 C ATOM 1545 CE2 PHE A 98 5.389 38.438 -13.668 1.00 0.00 C ATOM 1546 CZ PHE A 98 4.940 38.918 -14.904 1.00 0.00 C ATOM 0 H PHE A 98 8.123 36.539 -14.127 1.00 0.00 H new ATOM 0 HA PHE A 98 7.910 33.618 -14.787 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.487 34.158 -15.097 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.030 34.477 -13.462 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.217 36.057 -16.727 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.125 36.730 -12.584 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.529 38.429 -16.961 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.436 39.100 -12.816 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.642 39.951 -15.006 1.00 0.00 H new ATOM 1556 N SER A 99 7.554 34.010 -17.293 1.00 0.00 N ATOM 1557 CA SER A 99 7.658 34.283 -18.753 1.00 0.00 C ATOM 1558 C SER A 99 6.337 33.933 -19.439 1.00 0.00 C ATOM 1559 O SER A 99 6.025 32.779 -19.657 1.00 0.00 O ATOM 1560 CB SER A 99 8.785 33.440 -19.352 1.00 0.00 C ATOM 1561 OG SER A 99 9.994 34.184 -19.333 1.00 0.00 O ATOM 0 H SER A 99 7.368 33.039 -17.044 1.00 0.00 H new ATOM 0 HA SER A 99 7.874 35.340 -18.907 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.904 32.517 -18.784 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.537 33.155 -20.374 1.00 0.00 H new ATOM 0 HG SER A 99 10.717 33.644 -19.715 1.00 0.00 H new ATOM 1567 N ILE A 100 5.562 34.922 -19.789 1.00 0.00 N ATOM 1568 CA ILE A 100 4.263 34.654 -20.468 1.00 0.00 C ATOM 1569 C ILE A 100 4.458 33.573 -21.532 1.00 0.00 C ATOM 1570 O ILE A 100 5.446 33.551 -22.236 1.00 0.00 O ATOM 1571 CB ILE A 100 3.765 35.938 -21.135 1.00 0.00 C ATOM 1572 CG1 ILE A 100 3.451 36.982 -20.062 1.00 0.00 C ATOM 1573 CG2 ILE A 100 2.500 35.636 -21.939 1.00 0.00 C ATOM 1574 CD1 ILE A 100 3.860 38.369 -20.563 1.00 0.00 C ATOM 0 H ILE A 100 5.773 35.908 -19.633 1.00 0.00 H new ATOM 0 HA ILE A 100 3.532 34.315 -19.734 1.00 0.00 H new ATOM 0 HB ILE A 100 4.536 36.324 -21.802 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.387 36.968 -19.827 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.984 36.744 -19.141 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.144 36.550 -22.415 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.724 34.892 -22.704 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.729 35.250 -21.272 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.636 39.113 -19.798 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.929 38.378 -20.776 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.307 38.605 -21.472 1.00 0.00 H new ATOM 1586 N GLY A 101 3.519 32.676 -21.655 1.00 0.00 N ATOM 1587 CA GLY A 101 3.649 31.599 -22.674 1.00 0.00 C ATOM 1588 C GLY A 101 4.012 30.284 -21.982 1.00 0.00 C ATOM 1589 O GLY A 101 4.114 29.249 -22.611 1.00 0.00 O ATOM 0 H GLY A 101 2.668 32.643 -21.094 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.714 31.488 -23.222 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.416 31.863 -23.402 1.00 0.00 H new ATOM 1593 N LYS A 102 4.206 30.313 -20.691 1.00 0.00 N ATOM 1594 CA LYS A 102 4.559 29.059 -19.970 1.00 0.00 C ATOM 1595 C LYS A 102 3.522 28.797 -18.879 1.00 0.00 C ATOM 1596 O LYS A 102 3.037 29.712 -18.243 1.00 0.00 O ATOM 1597 CB LYS A 102 5.944 29.207 -19.337 1.00 0.00 C ATOM 1598 CG LYS A 102 6.408 27.853 -18.796 1.00 0.00 C ATOM 1599 CD LYS A 102 7.479 27.275 -19.723 1.00 0.00 C ATOM 1600 CE LYS A 102 8.060 26.003 -19.102 1.00 0.00 C ATOM 1601 NZ LYS A 102 9.364 25.684 -19.749 1.00 0.00 N ATOM 0 H LYS A 102 4.136 31.147 -20.108 1.00 0.00 H new ATOM 0 HA LYS A 102 4.571 28.224 -20.670 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.655 29.578 -20.075 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.910 29.940 -18.531 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.808 27.969 -17.789 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.563 27.168 -18.727 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.048 27.052 -20.699 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.270 28.008 -19.884 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.198 26.140 -18.029 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.365 25.173 -19.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.759 24.819 -19.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.219 25.537 -20.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.026 26.473 -19.604 1.00 0.00 H new ATOM 1615 N THR A 103 3.173 27.560 -18.654 1.00 0.00 N ATOM 1616 CA THR A 103 2.165 27.265 -17.599 1.00 0.00 C ATOM 1617 C THR A 103 2.856 27.315 -16.236 1.00 0.00 C ATOM 1618 O THR A 103 4.058 27.468 -16.157 1.00 0.00 O ATOM 1619 CB THR A 103 1.580 25.869 -17.828 1.00 0.00 C ATOM 1620 OG1 THR A 103 1.229 25.723 -19.197 1.00 0.00 O ATOM 1621 CG2 THR A 103 0.338 25.682 -16.957 1.00 0.00 C ATOM 0 H THR A 103 3.539 26.748 -19.151 1.00 0.00 H new ATOM 0 HA THR A 103 1.360 27.999 -17.635 1.00 0.00 H new ATOM 0 HB THR A 103 2.322 25.117 -17.561 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.856 24.829 -19.346 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.076 24.687 -17.122 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.610 25.792 -15.907 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.407 26.433 -17.219 1.00 0.00 H new ATOM 1629 N TYR A 104 2.131 27.182 -15.162 1.00 0.00 N ATOM 1630 CA TYR A 104 2.789 27.215 -13.828 1.00 0.00 C ATOM 1631 C TYR A 104 1.868 26.559 -12.799 1.00 0.00 C ATOM 1632 O TYR A 104 0.962 27.177 -12.274 1.00 0.00 O ATOM 1633 CB TYR A 104 3.070 28.664 -13.433 1.00 0.00 C ATOM 1634 CG TYR A 104 4.361 29.106 -14.077 1.00 0.00 C ATOM 1635 CD1 TYR A 104 5.577 28.569 -13.640 1.00 0.00 C ATOM 1636 CD2 TYR A 104 4.342 30.046 -15.114 1.00 0.00 C ATOM 1637 CE1 TYR A 104 6.776 28.973 -14.240 1.00 0.00 C ATOM 1638 CE2 TYR A 104 5.542 30.450 -15.714 1.00 0.00 C ATOM 1639 CZ TYR A 104 6.758 29.914 -15.276 1.00 0.00 C ATOM 1640 OH TYR A 104 7.940 30.314 -15.866 1.00 0.00 O ATOM 0 H TYR A 104 1.119 27.053 -15.149 1.00 0.00 H new ATOM 0 HA TYR A 104 3.732 26.670 -13.866 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.250 29.307 -13.752 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.140 28.752 -12.349 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.591 27.843 -12.840 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.403 30.460 -15.451 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.715 28.558 -13.903 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.528 31.175 -16.514 1.00 0.00 H new ATOM 0 HH TYR A 104 7.749 30.971 -16.568 1.00 0.00 H new ATOM 1650 N LYS A 105 2.089 25.305 -12.517 1.00 0.00 N ATOM 1651 CA LYS A 105 1.225 24.596 -11.532 1.00 0.00 C ATOM 1652 C LYS A 105 1.910 24.580 -10.166 1.00 0.00 C ATOM 1653 O LYS A 105 3.097 24.814 -10.053 1.00 0.00 O ATOM 1654 CB LYS A 105 0.995 23.158 -12.005 1.00 0.00 C ATOM 1655 CG LYS A 105 0.818 23.142 -13.524 1.00 0.00 C ATOM 1656 CD LYS A 105 1.021 21.718 -14.045 1.00 0.00 C ATOM 1657 CE LYS A 105 2.508 21.479 -14.308 1.00 0.00 C ATOM 1658 NZ LYS A 105 2.664 20.547 -15.460 1.00 0.00 N ATOM 0 H LYS A 105 2.832 24.740 -12.927 1.00 0.00 H new ATOM 0 HA LYS A 105 0.269 25.112 -11.449 1.00 0.00 H new ATOM 0 HB2 LYS A 105 1.840 22.531 -11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 105 0.112 22.742 -11.521 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -0.177 23.499 -13.789 1.00 0.00 H new ATOM 0 HG3 LYS A 105 1.534 23.818 -13.992 1.00 0.00 H new ATOM 0 HD2 LYS A 105 0.649 20.997 -13.318 1.00 0.00 H new ATOM 0 HD3 LYS A 105 0.450 21.570 -14.962 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.007 22.424 -14.521 1.00 0.00 H new ATOM 0 HE3 LYS A 105 2.983 21.060 -13.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.675 20.384 -15.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 2.201 19.642 -15.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 2.225 20.964 -16.306 1.00 0.00 H new ATOM 1672 N PRO A 106 1.139 24.298 -9.104 1.00 0.00 N ATOM 1673 CA PRO A 106 1.664 24.248 -7.734 1.00 0.00 C ATOM 1674 C PRO A 106 2.610 23.064 -7.525 1.00 0.00 C ATOM 1675 O PRO A 106 2.419 21.997 -8.076 1.00 0.00 O ATOM 1676 CB PRO A 106 0.410 24.073 -6.879 1.00 0.00 C ATOM 1677 CG PRO A 106 -0.581 23.438 -7.793 1.00 0.00 C ATOM 1678 CD PRO A 106 -0.305 24.003 -9.157 1.00 0.00 C ATOM 0 HA PRO A 106 2.246 25.136 -7.488 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.607 23.445 -6.010 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.048 25.031 -6.505 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.475 22.353 -7.791 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.601 23.659 -7.478 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.543 23.289 -9.946 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.894 24.900 -9.350 1.00 0.00 H new