USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1153 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 12 LYS NZ :NH3+ 154:sc= 2.43 (180deg=0.573) USER MOD Set 1.2: A 143 GLN : amide:sc= -2.01! K(o=0.42!,f=-6.9) USER MOD Set 2.1: A 104 HIS : no HE2:sc= -3.11 K(o=-1.9,f=-5.3!) USER MOD Set 2.2: A 116 TYR OH : rot -95:sc= 1.24 USER MOD Set 3.1: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 86 THR OG1 : rot 180:sc= -1.47! USER MOD Set 4.2: A 88 HIS : no HD1:sc= -4.22! C(o=-5.7!,f=-9.2!) USER MOD Set 5.1: A 43 LYS NZ :NH3+ -162:sc= 0.264 (180deg=-0.813) USER MOD Set 5.2: A 58 MET CE :methyl -127:sc= -0.652 (180deg=-0.244) USER MOD Set 5.3: A 60 ASN : amide:sc= -0.286 K(o=-3.8,f=-8.7!) USER MOD Set 5.4: A 67 THR OG1 : rot 70:sc= -3.04! USER MOD Set 5.5: A 118 TYR OH : rot 180:sc=-0.000108 USER MOD Set 5.6: A 140 TYR OH : rot -165:sc= -0.0724 USER MOD Single : A 2 THR OG1 : rot 19:sc= 0.547 USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= -0.0503 (180deg=-0.322) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.05 K(o=-1,f=-0.21) USER MOD Single : A 22 TYR OH : rot -62:sc= 0.594 USER MOD Single : A 24 LYS NZ :NH3+ -172:sc= 1.23 (180deg=0.943) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -154:sc= -0.426 (180deg=-1.52) USER MOD Single : A 34 GLN : amide:sc= 0.0422 X(o=0.042,f=-0.15) USER MOD Single : A 37 LYS NZ :NH3+ 147:sc= 0.472 (180deg=-0.605) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 172:sc= 1.18 (180deg=1.09) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 50 SER OG : rot -86:sc= 1.15 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 93:sc= -1.06 USER MOD Single : A 62 THR OG1 : rot 150:sc= 0.694 USER MOD Single : A 63 THR OG1 : rot 160:sc= -0.817 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 160:sc= 2.4 (180deg=1.15) USER MOD Single : A 68 HIS : no HD1:sc= -0.961 K(o=-0.96,f=-2.9!) USER MOD Single : A 69 HIS : no HE2:sc= -1.53 K(o=0.39,f=-9!) USER MOD Single : A 70 LYS NZ :NH3+ 147:sc= 0.369 (180deg=-0.213) USER MOD Single : A 79 GLN : amide:sc= -0.953 K(o=-0.95,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.433 USER MOD Single : A 87 GLN : amide:sc= -0.868 K(o=-0.87,f=-0.0076) USER MOD Single : A 89 LYS NZ :NH3+ -156:sc= 1.07 (180deg=0.249) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 82:sc= 0.846 USER MOD Single : A 106 LYS NZ :NH3+ -147:sc= 1.26 (180deg=1.05) USER MOD Single : A 111 THR OG1 : rot 20:sc= 1.24 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 MET CE :methyl 165:sc= -2.04 (180deg=-2.82!) USER MOD Single : A 128 LYS NZ :NH3+ -166:sc= -0.0323 (180deg=-0.229) USER MOD Single : A 129 MET CE :methyl 151:sc= -0.291 (180deg=-2.38!) USER MOD Single : A 130 SER OG : rot 20:sc= 0.359 USER MOD Single : A 132 LYS NZ :NH3+ -162:sc= -0.105 (180deg=-0.498) USER MOD Single : A 135 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 136 THR OG1 : rot 58:sc= 0.566 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 173:sc= 0.912 (180deg=0.597) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 210 N THR A 2 2.613 -17.475 0.345 1.00 0.86 N ATOM 211 CA THR A 2 2.126 -17.085 1.648 1.00 0.81 C ATOM 212 C THR A 2 2.846 -15.830 2.119 1.00 0.66 C ATOM 213 O THR A 2 4.078 -15.762 2.086 1.00 0.64 O ATOM 214 CB THR A 2 2.320 -18.211 2.671 1.00 0.86 C ATOM 215 OG1 THR A 2 2.208 -19.482 2.014 1.00 0.99 O ATOM 216 CG2 THR A 2 1.266 -18.119 3.755 1.00 0.92 C ATOM 0 HA THR A 2 1.059 -16.881 1.563 1.00 0.81 H new ATOM 0 HB THR A 2 3.308 -18.111 3.120 1.00 0.86 H new ATOM 0 HG1 THR A 2 2.336 -19.364 1.050 1.00 0.99 H new ATOM 0 HG21 THR A 2 1.414 -18.923 4.475 1.00 0.92 H new ATOM 0 HG22 THR A 2 1.349 -17.158 4.262 1.00 0.92 H new ATOM 0 HG23 THR A 2 0.276 -18.209 3.308 1.00 0.92 H new ATOM 224 N LEU A 3 2.069 -14.835 2.528 1.00 0.59 N ATOM 225 CA LEU A 3 2.618 -13.555 2.951 1.00 0.50 C ATOM 226 C LEU A 3 3.572 -13.708 4.119 1.00 0.49 C ATOM 227 O LEU A 3 3.231 -14.304 5.142 1.00 0.53 O ATOM 228 CB LEU A 3 1.516 -12.570 3.343 1.00 0.49 C ATOM 229 CG LEU A 3 1.092 -11.583 2.254 1.00 0.35 C ATOM 230 CD1 LEU A 3 0.267 -10.468 2.861 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.302 -11.003 1.546 1.00 0.49 C ATOM 0 H LEU A 3 1.052 -14.892 2.575 1.00 0.59 H new ATOM 0 HA LEU A 3 3.164 -13.163 2.093 1.00 0.50 H new ATOM 0 HB2 LEU A 3 0.639 -13.138 3.654 1.00 0.49 H new ATOM 0 HB3 LEU A 3 1.853 -12.003 4.211 1.00 0.49 H new ATOM 0 HG LEU A 3 0.491 -12.120 1.521 1.00 0.35 H new ATOM 0 HD11 LEU A 3 -0.031 -9.769 2.079 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -0.622 -10.888 3.331 1.00 0.51 H new ATOM 0 HD13 LEU A 3 0.860 -9.943 3.610 1.00 0.51 H new ATOM 0 HD21 LEU A 3 1.973 -10.304 0.777 1.00 0.49 H new ATOM 0 HD22 LEU A 3 2.929 -10.479 2.267 1.00 0.49 H new ATOM 0 HD23 LEU A 3 2.874 -11.808 1.085 1.00 0.49 H new ATOM 243 N PRO A 4 4.792 -13.184 3.963 1.00 0.50 N ATOM 244 CA PRO A 4 5.746 -13.084 5.059 1.00 0.54 C ATOM 245 C PRO A 4 5.169 -12.259 6.200 1.00 0.47 C ATOM 246 O PRO A 4 4.690 -11.141 5.990 1.00 0.42 O ATOM 247 CB PRO A 4 6.947 -12.361 4.437 1.00 0.60 C ATOM 248 CG PRO A 4 6.807 -12.554 2.968 1.00 0.61 C ATOM 249 CD PRO A 4 5.333 -12.661 2.699 1.00 0.52 C ATOM 0 HA PRO A 4 6.004 -14.056 5.479 1.00 0.54 H new ATOM 0 HB2 PRO A 4 6.945 -11.302 4.696 1.00 0.60 H new ATOM 0 HB3 PRO A 4 7.887 -12.777 4.800 1.00 0.60 H new ATOM 0 HG2 PRO A 4 7.243 -11.717 2.422 1.00 0.61 H new ATOM 0 HG3 PRO A 4 7.329 -13.454 2.642 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.900 -11.693 2.446 1.00 0.52 H new ATOM 0 HD3 PRO A 4 5.124 -13.331 1.865 1.00 0.52 H new ATOM 257 N ASP A 5 5.195 -12.840 7.395 1.00 0.51 N ATOM 258 CA ASP A 5 4.713 -12.191 8.618 1.00 0.51 C ATOM 259 C ASP A 5 5.259 -10.773 8.766 1.00 0.45 C ATOM 260 O ASP A 5 4.611 -9.901 9.348 1.00 0.44 O ATOM 261 CB ASP A 5 5.108 -13.043 9.831 1.00 0.63 C ATOM 262 CG ASP A 5 4.926 -12.324 11.154 1.00 1.50 C ATOM 263 OD1 ASP A 5 3.764 -12.059 11.533 1.00 2.09 O ATOM 264 OD2 ASP A 5 5.937 -12.014 11.820 1.00 2.19 O ATOM 0 H ASP A 5 5.554 -13.783 7.547 1.00 0.51 H new ATOM 0 HA ASP A 5 3.628 -12.111 8.557 1.00 0.51 H new ATOM 0 HB2 ASP A 5 4.511 -13.955 9.836 1.00 0.63 H new ATOM 0 HB3 ASP A 5 6.150 -13.345 9.730 1.00 0.63 H new ATOM 269 N LYS A 6 6.446 -10.548 8.222 1.00 0.45 N ATOM 270 CA LYS A 6 7.084 -9.241 8.264 1.00 0.45 C ATOM 271 C LYS A 6 6.312 -8.173 7.486 1.00 0.38 C ATOM 272 O LYS A 6 6.536 -6.983 7.696 1.00 0.42 O ATOM 273 CB LYS A 6 8.512 -9.343 7.737 1.00 0.56 C ATOM 274 CG LYS A 6 9.432 -10.103 8.672 1.00 1.10 C ATOM 275 CD LYS A 6 10.823 -10.262 8.093 1.00 1.64 C ATOM 276 CE LYS A 6 11.724 -11.022 9.047 1.00 2.01 C ATOM 277 NZ LYS A 6 11.202 -12.382 9.346 1.00 2.53 N ATOM 0 H LYS A 6 6.992 -11.263 7.741 1.00 0.45 H new ATOM 0 HA LYS A 6 7.092 -8.925 9.307 1.00 0.45 H new ATOM 0 HB2 LYS A 6 8.501 -9.837 6.765 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.909 -8.340 7.581 1.00 0.56 H new ATOM 0 HG2 LYS A 6 9.494 -9.579 9.626 1.00 1.10 H new ATOM 0 HG3 LYS A 6 9.009 -11.087 8.876 1.00 1.10 H new ATOM 0 HD2 LYS A 6 10.767 -10.790 7.141 1.00 1.64 H new ATOM 0 HD3 LYS A 6 11.250 -9.280 7.888 1.00 1.64 H new ATOM 0 HE2 LYS A 6 12.721 -11.104 8.615 1.00 2.01 H new ATOM 0 HE3 LYS A 6 11.824 -10.460 9.976 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 11.957 -12.958 9.769 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 10.407 -12.310 10.013 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 10.876 -12.830 8.466 1.00 2.53 H new ATOM 291 N PHE A 7 5.411 -8.562 6.593 1.00 0.36 N ATOM 292 CA PHE A 7 4.622 -7.575 5.870 1.00 0.35 C ATOM 293 C PHE A 7 3.257 -7.419 6.516 1.00 0.32 C ATOM 294 O PHE A 7 2.450 -6.608 6.078 1.00 0.35 O ATOM 295 CB PHE A 7 4.443 -7.968 4.398 1.00 0.39 C ATOM 296 CG PHE A 7 5.715 -7.977 3.596 1.00 0.42 C ATOM 297 CD1 PHE A 7 6.680 -7.004 3.785 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.936 -8.955 2.638 1.00 0.48 C ATOM 299 CE1 PHE A 7 7.843 -7.007 3.039 1.00 0.60 C ATOM 300 CE2 PHE A 7 7.097 -8.964 1.891 1.00 0.54 C ATOM 301 CZ PHE A 7 8.051 -7.989 2.092 1.00 0.57 C ATOM 0 H PHE A 7 5.211 -9.534 6.356 1.00 0.36 H new ATOM 0 HA PHE A 7 5.161 -6.629 5.913 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.992 -8.959 4.352 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.740 -7.276 3.933 1.00 0.39 H new ATOM 0 HD1 PHE A 7 6.522 -6.233 4.524 1.00 0.52 H new ATOM 0 HD2 PHE A 7 5.191 -9.719 2.474 1.00 0.48 H new ATOM 0 HE1 PHE A 7 8.588 -6.242 3.197 1.00 0.60 H new ATOM 0 HE2 PHE A 7 7.258 -9.733 1.150 1.00 0.54 H new ATOM 0 HZ PHE A 7 8.960 -7.994 1.509 1.00 0.57 H new ATOM 311 N LEU A 8 3.014 -8.183 7.571 1.00 0.30 N ATOM 312 CA LEU A 8 1.699 -8.243 8.180 1.00 0.29 C ATOM 313 C LEU A 8 1.632 -7.409 9.454 1.00 0.29 C ATOM 314 O LEU A 8 2.594 -7.344 10.226 1.00 0.33 O ATOM 315 CB LEU A 8 1.336 -9.700 8.459 1.00 0.34 C ATOM 316 CG LEU A 8 1.291 -10.578 7.208 1.00 0.37 C ATOM 317 CD1 LEU A 8 1.049 -12.033 7.557 1.00 0.46 C ATOM 318 CD2 LEU A 8 0.220 -10.081 6.260 1.00 0.35 C ATOM 0 H LEU A 8 3.715 -8.771 8.022 1.00 0.30 H new ATOM 0 HA LEU A 8 0.974 -7.819 7.485 1.00 0.29 H new ATOM 0 HB2 LEU A 8 2.061 -10.117 9.158 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.364 -9.734 8.950 1.00 0.34 H new ATOM 0 HG LEU A 8 2.262 -10.511 6.718 1.00 0.37 H new ATOM 0 HD11 LEU A 8 1.023 -12.627 6.643 1.00 0.46 H new ATOM 0 HD12 LEU A 8 1.853 -12.391 8.200 1.00 0.46 H new ATOM 0 HD13 LEU A 8 0.097 -12.128 8.079 1.00 0.46 H new ATOM 0 HD21 LEU A 8 0.197 -10.714 5.373 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -0.750 -10.116 6.756 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.441 -9.054 5.968 1.00 0.35 H new ATOM 330 N GLY A 9 0.489 -6.774 9.658 1.00 0.32 N ATOM 331 CA GLY A 9 0.289 -5.928 10.814 1.00 0.33 C ATOM 332 C GLY A 9 -0.347 -4.603 10.446 1.00 0.31 C ATOM 333 O GLY A 9 -0.591 -4.331 9.270 1.00 0.52 O ATOM 0 H GLY A 9 -0.315 -6.832 9.033 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.343 -6.445 11.536 1.00 0.33 H new ATOM 0 HA3 GLY A 9 1.247 -5.747 11.301 1.00 0.33 H new ATOM 337 N THR A 10 -0.634 -3.790 11.448 1.00 0.34 N ATOM 338 CA THR A 10 -1.170 -2.464 11.226 1.00 0.35 C ATOM 339 C THR A 10 -0.103 -1.419 11.540 1.00 0.32 C ATOM 340 O THR A 10 0.480 -1.418 12.626 1.00 0.40 O ATOM 341 CB THR A 10 -2.422 -2.230 12.086 1.00 0.38 C ATOM 342 OG1 THR A 10 -3.361 -3.290 11.866 1.00 1.05 O ATOM 343 CG2 THR A 10 -3.075 -0.903 11.747 1.00 0.99 C ATOM 0 H THR A 10 -0.502 -4.031 12.430 1.00 0.34 H new ATOM 0 HA THR A 10 -1.460 -2.374 10.179 1.00 0.35 H new ATOM 0 HB THR A 10 -2.119 -2.211 13.133 1.00 0.38 H new ATOM 0 HG1 THR A 10 -4.158 -3.140 12.416 1.00 1.05 H new ATOM 0 HG21 THR A 10 -3.958 -0.763 12.370 1.00 0.99 H new ATOM 0 HG22 THR A 10 -2.369 -0.093 11.930 1.00 0.99 H new ATOM 0 HG23 THR A 10 -3.367 -0.899 10.697 1.00 0.99 H new ATOM 351 N PHE A 11 0.166 -0.553 10.578 1.00 0.27 N ATOM 352 CA PHE A 11 1.283 0.372 10.674 1.00 0.27 C ATOM 353 C PHE A 11 0.839 1.836 10.711 1.00 0.28 C ATOM 354 O PHE A 11 -0.016 2.253 9.920 1.00 0.32 O ATOM 355 CB PHE A 11 2.217 0.156 9.474 1.00 0.31 C ATOM 356 CG PHE A 11 2.686 -1.263 9.313 1.00 0.33 C ATOM 357 CD1 PHE A 11 3.680 -1.773 10.130 1.00 0.42 C ATOM 358 CD2 PHE A 11 2.132 -2.088 8.343 1.00 0.38 C ATOM 359 CE1 PHE A 11 4.111 -3.077 9.988 1.00 0.47 C ATOM 360 CE2 PHE A 11 2.561 -3.393 8.196 1.00 0.43 C ATOM 361 CZ PHE A 11 3.552 -3.889 9.019 1.00 0.44 C ATOM 0 H PHE A 11 -0.376 -0.471 9.718 1.00 0.27 H new ATOM 0 HA PHE A 11 1.797 0.167 11.613 1.00 0.27 H new ATOM 0 HB2 PHE A 11 1.700 0.463 8.565 1.00 0.31 H new ATOM 0 HB3 PHE A 11 3.086 0.805 9.581 1.00 0.31 H new ATOM 0 HD1 PHE A 11 4.124 -1.144 10.887 1.00 0.42 H new ATOM 0 HD2 PHE A 11 1.357 -1.705 7.696 1.00 0.38 H new ATOM 0 HE1 PHE A 11 4.885 -3.463 10.634 1.00 0.47 H new ATOM 0 HE2 PHE A 11 2.121 -4.024 7.438 1.00 0.43 H new ATOM 0 HZ PHE A 11 3.890 -4.909 8.906 1.00 0.44 H new ATOM 371 N LYS A 12 1.405 2.601 11.662 1.00 0.29 N ATOM 372 CA LYS A 12 1.372 4.063 11.619 1.00 0.33 C ATOM 373 C LYS A 12 2.272 4.600 10.501 1.00 0.27 C ATOM 374 O LYS A 12 2.821 3.841 9.705 1.00 0.69 O ATOM 375 CB LYS A 12 1.857 4.625 12.945 1.00 0.48 C ATOM 376 CG LYS A 12 0.784 4.670 14.002 1.00 0.78 C ATOM 377 CD LYS A 12 1.297 5.281 15.283 1.00 1.28 C ATOM 378 CE LYS A 12 0.165 5.475 16.260 1.00 1.72 C ATOM 379 NZ LYS A 12 -0.256 4.197 16.894 1.00 2.19 N ATOM 0 H LYS A 12 1.893 2.221 12.473 1.00 0.29 H new ATOM 0 HA LYS A 12 0.344 4.372 11.428 1.00 0.33 H new ATOM 0 HB2 LYS A 12 2.688 4.019 13.306 1.00 0.48 H new ATOM 0 HB3 LYS A 12 2.243 5.632 12.786 1.00 0.48 H new ATOM 0 HG2 LYS A 12 -0.065 5.248 13.636 1.00 0.78 H new ATOM 0 HG3 LYS A 12 0.422 3.661 14.198 1.00 0.78 H new ATOM 0 HD2 LYS A 12 2.059 4.637 15.722 1.00 1.28 H new ATOM 0 HD3 LYS A 12 1.773 6.239 15.072 1.00 1.28 H new ATOM 0 HE2 LYS A 12 0.472 6.179 17.034 1.00 1.72 H new ATOM 0 HE3 LYS A 12 -0.686 5.920 15.744 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 -0.683 4.394 17.822 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 -0.953 3.721 16.286 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 0.573 3.581 17.018 1.00 2.19 H new ATOM 393 N LEU A 13 2.465 5.911 10.482 1.00 0.60 N ATOM 394 CA LEU A 13 3.257 6.551 9.439 1.00 0.50 C ATOM 395 C LEU A 13 4.155 7.615 10.060 1.00 0.46 C ATOM 396 O LEU A 13 3.668 8.634 10.551 1.00 0.52 O ATOM 397 CB LEU A 13 2.324 7.184 8.396 1.00 0.52 C ATOM 398 CG LEU A 13 2.901 7.375 6.984 1.00 0.55 C ATOM 399 CD1 LEU A 13 1.854 7.990 6.074 1.00 1.14 C ATOM 400 CD2 LEU A 13 4.146 8.247 6.995 1.00 1.04 C ATOM 0 H LEU A 13 2.084 6.553 11.177 1.00 0.60 H new ATOM 0 HA LEU A 13 3.881 5.806 8.946 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.430 6.565 8.318 1.00 0.52 H new ATOM 0 HB3 LEU A 13 2.006 8.158 8.769 1.00 0.52 H new ATOM 0 HG LEU A 13 3.184 6.392 6.609 1.00 0.55 H new ATOM 0 HD11 LEU A 13 2.272 8.122 5.076 1.00 1.14 H new ATOM 0 HD12 LEU A 13 0.987 7.332 6.021 1.00 1.14 H new ATOM 0 HD13 LEU A 13 1.551 8.959 6.471 1.00 1.14 H new ATOM 0 HD21 LEU A 13 4.522 8.357 5.978 1.00 1.04 H new ATOM 0 HD22 LEU A 13 3.899 9.229 7.399 1.00 1.04 H new ATOM 0 HD23 LEU A 13 4.911 7.781 7.616 1.00 1.04 H new ATOM 412 N GLU A 14 5.463 7.377 10.046 1.00 0.45 N ATOM 413 CA GLU A 14 6.408 8.322 10.624 1.00 0.48 C ATOM 414 C GLU A 14 6.724 9.457 9.649 1.00 0.45 C ATOM 415 O GLU A 14 6.614 10.631 10.000 1.00 0.49 O ATOM 416 CB GLU A 14 7.698 7.601 11.022 1.00 0.55 C ATOM 417 CG GLU A 14 8.688 8.485 11.770 1.00 0.67 C ATOM 418 CD GLU A 14 8.179 8.922 13.129 1.00 1.17 C ATOM 419 OE1 GLU A 14 7.529 9.984 13.212 1.00 2.08 O ATOM 420 OE2 GLU A 14 8.417 8.208 14.124 1.00 1.56 O ATOM 0 H GLU A 14 5.889 6.543 9.643 1.00 0.45 H new ATOM 0 HA GLU A 14 5.949 8.755 11.512 1.00 0.48 H new ATOM 0 HB2 GLU A 14 7.447 6.743 11.646 1.00 0.55 H new ATOM 0 HB3 GLU A 14 8.178 7.212 10.124 1.00 0.55 H new ATOM 0 HG2 GLU A 14 9.626 7.945 11.896 1.00 0.67 H new ATOM 0 HG3 GLU A 14 8.906 9.367 11.168 1.00 0.67 H new ATOM 427 N ARG A 15 7.109 9.110 8.424 1.00 0.42 N ATOM 428 CA ARG A 15 7.537 10.113 7.456 1.00 0.44 C ATOM 429 C ARG A 15 7.484 9.568 6.031 1.00 0.37 C ATOM 430 O ARG A 15 7.152 8.401 5.811 1.00 0.38 O ATOM 431 CB ARG A 15 8.964 10.555 7.771 1.00 0.51 C ATOM 432 CG ARG A 15 9.989 9.453 7.572 1.00 0.53 C ATOM 433 CD ARG A 15 11.385 9.936 7.896 1.00 0.77 C ATOM 434 NE ARG A 15 12.405 8.922 7.637 1.00 1.68 N ATOM 435 CZ ARG A 15 13.577 9.178 7.054 1.00 2.34 C ATOM 436 NH1 ARG A 15 13.854 10.405 6.625 1.00 2.45 N ATOM 437 NH2 ARG A 15 14.470 8.209 6.894 1.00 3.36 N ATOM 0 H ARG A 15 7.133 8.150 8.081 1.00 0.42 H new ATOM 0 HA ARG A 15 6.856 10.961 7.527 1.00 0.44 H new ATOM 0 HB2 ARG A 15 9.223 11.402 7.137 1.00 0.51 H new ATOM 0 HB3 ARG A 15 9.010 10.903 8.803 1.00 0.51 H new ATOM 0 HG2 ARG A 15 9.740 8.603 8.207 1.00 0.53 H new ATOM 0 HG3 ARG A 15 9.953 9.102 6.541 1.00 0.53 H new ATOM 0 HD2 ARG A 15 11.604 10.825 7.305 1.00 0.77 H new ATOM 0 HD3 ARG A 15 11.429 10.231 8.944 1.00 0.77 H new ATOM 0 HE ARG A 15 12.209 7.961 7.919 1.00 1.68 H new ATOM 0 HH11 ARG A 15 13.170 11.153 6.741 1.00 2.45 H new ATOM 0 HH12 ARG A 15 14.751 10.599 6.179 1.00 2.45 H new ATOM 0 HH21 ARG A 15 14.261 7.264 7.217 1.00 3.36 H new ATOM 0 HH22 ARG A 15 15.365 8.409 6.448 1.00 3.36 H new ATOM 451 N ASP A 16 7.849 10.414 5.075 1.00 0.38 N ATOM 452 CA ASP A 16 7.878 10.032 3.670 1.00 0.43 C ATOM 453 C ASP A 16 9.008 10.756 2.959 1.00 0.39 C ATOM 454 O ASP A 16 9.554 11.726 3.487 1.00 0.52 O ATOM 455 CB ASP A 16 6.539 10.329 2.982 1.00 0.66 C ATOM 456 CG ASP A 16 6.193 11.806 2.942 1.00 0.68 C ATOM 457 OD1 ASP A 16 5.396 12.255 3.796 1.00 1.19 O ATOM 458 OD2 ASP A 16 6.707 12.526 2.057 1.00 0.72 O ATOM 0 H ASP A 16 8.131 11.378 5.251 1.00 0.38 H new ATOM 0 HA ASP A 16 8.049 8.957 3.614 1.00 0.43 H new ATOM 0 HB2 ASP A 16 6.570 9.944 1.963 1.00 0.66 H new ATOM 0 HB3 ASP A 16 5.746 9.792 3.502 1.00 0.66 H new ATOM 463 N GLU A 17 9.365 10.283 1.774 1.00 0.36 N ATOM 464 CA GLU A 17 10.467 10.863 1.024 1.00 0.38 C ATOM 465 C GLU A 17 10.161 10.878 -0.472 1.00 0.40 C ATOM 466 O GLU A 17 9.741 9.864 -1.035 1.00 0.83 O ATOM 467 CB GLU A 17 11.752 10.071 1.285 1.00 0.48 C ATOM 468 CG GLU A 17 12.981 10.658 0.612 1.00 1.18 C ATOM 469 CD GLU A 17 13.353 12.023 1.157 1.00 1.83 C ATOM 470 OE1 GLU A 17 12.567 12.974 0.977 1.00 2.66 O ATOM 471 OE2 GLU A 17 14.433 12.160 1.763 1.00 2.13 O ATOM 0 H GLU A 17 8.906 9.498 1.311 1.00 0.36 H new ATOM 0 HA GLU A 17 10.603 11.892 1.357 1.00 0.38 H new ATOM 0 HB2 GLU A 17 11.926 10.023 2.360 1.00 0.48 H new ATOM 0 HB3 GLU A 17 11.613 9.047 0.938 1.00 0.48 H new ATOM 0 HG2 GLU A 17 13.822 9.977 0.744 1.00 1.18 H new ATOM 0 HG3 GLU A 17 12.800 10.737 -0.460 1.00 1.18 H new ATOM 478 N ASN A 18 10.353 12.045 -1.092 1.00 0.34 N ATOM 479 CA ASN A 18 10.244 12.210 -2.549 1.00 0.30 C ATOM 480 C ASN A 18 8.826 11.904 -3.043 1.00 0.28 C ATOM 481 O ASN A 18 8.602 11.621 -4.226 1.00 0.27 O ATOM 482 CB ASN A 18 11.270 11.308 -3.252 1.00 0.32 C ATOM 483 CG ASN A 18 11.783 11.890 -4.556 1.00 0.42 C ATOM 484 OD1 ASN A 18 12.767 12.632 -4.570 1.00 0.76 O ATOM 485 ND2 ASN A 18 11.144 11.546 -5.658 1.00 0.66 N ATOM 0 H ASN A 18 10.589 12.906 -0.599 1.00 0.34 H new ATOM 0 HA ASN A 18 10.456 13.251 -2.793 1.00 0.30 H new ATOM 0 HB2 ASN A 18 12.112 11.136 -2.582 1.00 0.32 H new ATOM 0 HB3 ASN A 18 10.816 10.337 -3.449 1.00 0.32 H new ATOM 0 HD21 ASN A 18 11.461 11.897 -6.562 1.00 0.66 H new ATOM 0 HD22 ASN A 18 10.333 10.929 -5.606 1.00 0.66 H new ATOM 492 N PHE A 19 7.869 11.995 -2.132 1.00 0.30 N ATOM 493 CA PHE A 19 6.495 11.622 -2.432 1.00 0.31 C ATOM 494 C PHE A 19 5.812 12.709 -3.249 1.00 0.31 C ATOM 495 O PHE A 19 5.069 12.421 -4.186 1.00 0.32 O ATOM 496 CB PHE A 19 5.712 11.347 -1.145 1.00 0.37 C ATOM 497 CG PHE A 19 4.430 10.612 -1.389 1.00 0.36 C ATOM 498 CD1 PHE A 19 4.408 9.228 -1.413 1.00 0.45 C ATOM 499 CD2 PHE A 19 3.251 11.302 -1.609 1.00 0.45 C ATOM 500 CE1 PHE A 19 3.233 8.546 -1.651 1.00 0.49 C ATOM 501 CE2 PHE A 19 2.075 10.626 -1.846 1.00 0.48 C ATOM 502 CZ PHE A 19 2.064 9.246 -1.867 1.00 0.44 C ATOM 0 H PHE A 19 8.019 12.324 -1.178 1.00 0.30 H new ATOM 0 HA PHE A 19 6.513 10.706 -3.022 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.334 10.766 -0.464 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.494 12.293 -0.649 1.00 0.37 H new ATOM 0 HD1 PHE A 19 5.321 8.676 -1.244 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.253 12.382 -1.595 1.00 0.45 H new ATOM 0 HE1 PHE A 19 3.228 7.466 -1.668 1.00 0.49 H new ATOM 0 HE2 PHE A 19 1.161 11.176 -2.015 1.00 0.48 H new ATOM 0 HZ PHE A 19 1.142 8.715 -2.052 1.00 0.44 H new ATOM 512 N ASP A 20 6.073 13.958 -2.892 1.00 0.33 N ATOM 513 CA ASP A 20 5.538 15.093 -3.636 1.00 0.37 C ATOM 514 C ASP A 20 6.013 15.043 -5.086 1.00 0.33 C ATOM 515 O ASP A 20 5.228 15.239 -6.020 1.00 0.33 O ATOM 516 CB ASP A 20 5.981 16.397 -2.974 1.00 0.46 C ATOM 517 CG ASP A 20 5.274 17.611 -3.535 1.00 1.08 C ATOM 518 OD1 ASP A 20 5.795 18.209 -4.499 1.00 1.22 O ATOM 519 OD2 ASP A 20 4.182 17.952 -3.037 1.00 2.04 O ATOM 0 H ASP A 20 6.652 14.213 -2.092 1.00 0.33 H new ATOM 0 HA ASP A 20 4.449 15.045 -3.629 1.00 0.37 H new ATOM 0 HB2 ASP A 20 5.793 16.337 -1.902 1.00 0.46 H new ATOM 0 HB3 ASP A 20 7.057 16.517 -3.103 1.00 0.46 H new ATOM 524 N GLU A 21 7.305 14.760 -5.264 1.00 0.34 N ATOM 525 CA GLU A 21 7.882 14.573 -6.592 1.00 0.35 C ATOM 526 C GLU A 21 7.093 13.533 -7.379 1.00 0.31 C ATOM 527 O GLU A 21 6.805 13.723 -8.564 1.00 0.34 O ATOM 528 CB GLU A 21 9.338 14.131 -6.496 1.00 0.41 C ATOM 529 CG GLU A 21 10.230 15.108 -5.759 1.00 0.51 C ATOM 530 CD GLU A 21 10.150 16.518 -6.307 1.00 1.14 C ATOM 531 OE1 GLU A 21 10.556 16.738 -7.469 1.00 1.65 O ATOM 532 OE2 GLU A 21 9.685 17.417 -5.577 1.00 1.79 O ATOM 0 H GLU A 21 7.972 14.655 -4.500 1.00 0.34 H new ATOM 0 HA GLU A 21 7.834 15.531 -7.110 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.381 13.165 -5.994 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.730 13.985 -7.503 1.00 0.41 H new ATOM 0 HG2 GLU A 21 9.954 15.118 -4.705 1.00 0.51 H new ATOM 0 HG3 GLU A 21 11.262 14.761 -5.815 1.00 0.51 H new ATOM 539 N TYR A 22 6.751 12.435 -6.711 1.00 0.29 N ATOM 540 CA TYR A 22 5.971 11.369 -7.328 1.00 0.28 C ATOM 541 C TYR A 22 4.604 11.876 -7.789 1.00 0.30 C ATOM 542 O TYR A 22 4.105 11.467 -8.840 1.00 0.33 O ATOM 543 CB TYR A 22 5.800 10.206 -6.350 1.00 0.30 C ATOM 544 CG TYR A 22 4.931 9.090 -6.885 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.598 8.989 -6.515 1.00 0.41 C ATOM 546 CD2 TYR A 22 5.447 8.134 -7.752 1.00 0.38 C ATOM 547 CE1 TYR A 22 2.805 7.965 -6.991 1.00 0.48 C ATOM 548 CE2 TYR A 22 4.658 7.110 -8.233 1.00 0.44 C ATOM 549 CZ TYR A 22 3.330 7.054 -7.888 1.00 0.50 C ATOM 550 OH TYR A 22 2.546 6.009 -8.320 1.00 0.57 O ATOM 0 H TYR A 22 7.004 12.261 -5.738 1.00 0.29 H new ATOM 0 HA TYR A 22 6.514 11.020 -8.206 1.00 0.28 H new ATOM 0 HB2 TYR A 22 6.782 9.804 -6.101 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.366 10.582 -5.424 1.00 0.30 H new ATOM 0 HD1 TYR A 22 3.175 9.722 -5.845 1.00 0.41 H new ATOM 0 HD2 TYR A 22 6.482 8.194 -8.054 1.00 0.38 H new ATOM 0 HE1 TYR A 22 1.779 7.876 -6.664 1.00 0.48 H new ATOM 0 HE2 TYR A 22 5.083 6.355 -8.878 1.00 0.44 H new ATOM 0 HH TYR A 22 2.300 5.447 -7.556 1.00 0.57 H new ATOM 560 N LEU A 23 4.010 12.775 -7.014 1.00 0.28 N ATOM 561 CA LEU A 23 2.679 13.283 -7.326 1.00 0.30 C ATOM 562 C LEU A 23 2.696 14.080 -8.622 1.00 0.34 C ATOM 563 O LEU A 23 1.776 13.982 -9.435 1.00 0.37 O ATOM 564 CB LEU A 23 2.145 14.141 -6.179 1.00 0.30 C ATOM 565 CG LEU A 23 1.906 13.387 -4.871 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.277 14.300 -3.838 1.00 0.33 C ATOM 567 CD2 LEU A 23 1.027 12.170 -5.107 1.00 0.32 C ATOM 0 H LEU A 23 4.426 13.166 -6.169 1.00 0.28 H new ATOM 0 HA LEU A 23 2.014 12.430 -7.456 1.00 0.30 H new ATOM 0 HB2 LEU A 23 2.850 14.951 -5.991 1.00 0.30 H new ATOM 0 HB3 LEU A 23 1.208 14.600 -6.494 1.00 0.30 H new ATOM 0 HG LEU A 23 2.870 13.047 -4.492 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.114 13.746 -2.914 1.00 0.33 H new ATOM 0 HD12 LEU A 23 1.941 15.142 -3.644 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.322 14.670 -4.212 1.00 0.33 H new ATOM 0 HD21 LEU A 23 0.869 11.647 -4.164 1.00 0.32 H new ATOM 0 HD22 LEU A 23 0.066 12.488 -5.511 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.515 11.501 -5.816 1.00 0.32 H new ATOM 579 N LYS A 24 3.759 14.850 -8.819 1.00 0.34 N ATOM 580 CA LYS A 24 3.926 15.616 -10.049 1.00 0.39 C ATOM 581 C LYS A 24 4.097 14.669 -11.233 1.00 0.40 C ATOM 582 O LYS A 24 3.511 14.866 -12.296 1.00 0.44 O ATOM 583 CB LYS A 24 5.137 16.542 -9.941 1.00 0.41 C ATOM 584 CG LYS A 24 5.026 17.574 -8.831 1.00 0.45 C ATOM 585 CD LYS A 24 6.252 18.472 -8.773 1.00 0.55 C ATOM 586 CE LYS A 24 7.500 17.693 -8.402 1.00 1.35 C ATOM 587 NZ LYS A 24 8.715 18.550 -8.383 1.00 1.88 N ATOM 0 H LYS A 24 4.517 14.961 -8.145 1.00 0.34 H new ATOM 0 HA LYS A 24 3.035 16.225 -10.205 1.00 0.39 H new ATOM 0 HB2 LYS A 24 6.030 15.939 -9.775 1.00 0.41 H new ATOM 0 HB3 LYS A 24 5.273 17.058 -10.891 1.00 0.41 H new ATOM 0 HG2 LYS A 24 4.136 18.183 -8.988 1.00 0.45 H new ATOM 0 HG3 LYS A 24 4.901 17.067 -7.874 1.00 0.45 H new ATOM 0 HD2 LYS A 24 6.397 18.953 -9.740 1.00 0.55 H new ATOM 0 HD3 LYS A 24 6.088 19.266 -8.044 1.00 0.55 H new ATOM 0 HE2 LYS A 24 7.363 17.238 -7.421 1.00 1.35 H new ATOM 0 HE3 LYS A 24 7.643 16.880 -9.113 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 9.558 17.954 -8.259 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 8.787 19.070 -9.281 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 8.650 19.227 -7.596 1.00 1.88 H new ATOM 601 N ALA A 25 4.901 13.633 -11.022 1.00 0.40 N ATOM 602 CA ALA A 25 5.136 12.613 -12.039 1.00 0.43 C ATOM 603 C ALA A 25 3.832 11.945 -12.472 1.00 0.43 C ATOM 604 O ALA A 25 3.606 11.715 -13.658 1.00 0.44 O ATOM 605 CB ALA A 25 6.114 11.574 -11.518 1.00 0.43 C ATOM 0 H ALA A 25 5.405 13.476 -10.149 1.00 0.40 H new ATOM 0 HA ALA A 25 5.565 13.102 -12.914 1.00 0.43 H new ATOM 0 HB1 ALA A 25 6.283 10.817 -12.284 1.00 0.43 H new ATOM 0 HB2 ALA A 25 7.059 12.056 -11.270 1.00 0.43 H new ATOM 0 HB3 ALA A 25 5.702 11.102 -10.626 1.00 0.43 H new ATOM 611 N ARG A 26 2.973 11.653 -11.500 1.00 0.43 N ATOM 612 CA ARG A 26 1.694 10.999 -11.774 1.00 0.45 C ATOM 613 C ARG A 26 0.685 11.966 -12.384 1.00 0.47 C ATOM 614 O ARG A 26 -0.405 11.560 -12.789 1.00 0.51 O ATOM 615 CB ARG A 26 1.120 10.374 -10.505 1.00 0.48 C ATOM 616 CG ARG A 26 1.750 9.038 -10.150 1.00 0.85 C ATOM 617 CD ARG A 26 1.355 7.948 -11.139 1.00 0.72 C ATOM 618 NE ARG A 26 -0.058 7.587 -11.029 1.00 0.76 N ATOM 619 CZ ARG A 26 -0.880 7.416 -12.071 1.00 0.78 C ATOM 620 NH1 ARG A 26 -0.433 7.580 -13.312 1.00 1.29 N ATOM 621 NH2 ARG A 26 -2.148 7.073 -11.871 1.00 1.06 N ATOM 0 H ARG A 26 3.138 11.858 -10.515 1.00 0.43 H new ATOM 0 HA ARG A 26 1.886 10.210 -12.501 1.00 0.45 H new ATOM 0 HB2 ARG A 26 1.260 11.065 -9.674 1.00 0.48 H new ATOM 0 HB3 ARG A 26 0.046 10.239 -10.630 1.00 0.48 H new ATOM 0 HG2 ARG A 26 2.835 9.140 -10.135 1.00 0.85 H new ATOM 0 HG3 ARG A 26 1.443 8.746 -9.145 1.00 0.85 H new ATOM 0 HD2 ARG A 26 1.563 8.288 -12.154 1.00 0.72 H new ATOM 0 HD3 ARG A 26 1.969 7.064 -10.967 1.00 0.72 H new ATOM 0 HE ARG A 26 -0.443 7.457 -10.094 1.00 0.76 H new ATOM 0 HH11 ARG A 26 0.541 7.837 -13.474 1.00 1.29 H new ATOM 0 HH12 ARG A 26 -1.064 7.448 -14.103 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -2.497 6.940 -10.922 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -2.773 6.943 -12.667 1.00 1.06 H new ATOM 635 N GLY A 27 1.043 13.239 -12.445 1.00 0.46 N ATOM 636 CA GLY A 27 0.193 14.214 -13.095 1.00 0.49 C ATOM 637 C GLY A 27 -0.844 14.800 -12.161 1.00 0.50 C ATOM 638 O GLY A 27 -1.864 15.325 -12.608 1.00 0.62 O ATOM 0 H GLY A 27 1.908 13.615 -12.056 1.00 0.46 H new ATOM 0 HA2 GLY A 27 0.810 15.018 -13.496 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -0.310 13.745 -13.941 1.00 0.49 H new ATOM 642 N TYR A 28 -0.595 14.710 -10.861 1.00 0.48 N ATOM 643 CA TYR A 28 -1.491 15.299 -9.882 1.00 0.53 C ATOM 644 C TYR A 28 -1.273 16.799 -9.820 1.00 0.56 C ATOM 645 O TYR A 28 -0.144 17.267 -9.658 1.00 0.54 O ATOM 646 CB TYR A 28 -1.279 14.682 -8.497 1.00 0.51 C ATOM 647 CG TYR A 28 -1.820 13.277 -8.363 1.00 0.53 C ATOM 648 CD1 TYR A 28 -0.968 12.185 -8.291 1.00 0.52 C ATOM 649 CD2 TYR A 28 -3.189 13.047 -8.304 1.00 0.59 C ATOM 650 CE1 TYR A 28 -1.461 10.900 -8.167 1.00 0.54 C ATOM 651 CE2 TYR A 28 -3.694 11.768 -8.176 1.00 0.63 C ATOM 652 CZ TYR A 28 -2.824 10.697 -8.109 1.00 0.60 C ATOM 653 OH TYR A 28 -3.319 9.418 -7.995 1.00 0.64 O ATOM 0 H TYR A 28 0.217 14.237 -10.464 1.00 0.48 H new ATOM 0 HA TYR A 28 -2.516 15.094 -10.191 1.00 0.53 H new ATOM 0 HB2 TYR A 28 -0.212 14.673 -8.274 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.756 15.317 -7.750 1.00 0.51 H new ATOM 0 HD1 TYR A 28 0.100 12.342 -8.333 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -3.870 13.883 -8.359 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -0.784 10.060 -8.116 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -4.761 11.606 -8.129 1.00 0.63 H new ATOM 0 HH TYR A 28 -4.298 9.448 -7.966 1.00 0.64 H new ATOM 663 N GLY A 29 -2.359 17.545 -9.963 1.00 0.68 N ATOM 664 CA GLY A 29 -2.277 18.986 -9.931 1.00 0.80 C ATOM 665 C GLY A 29 -2.047 19.506 -8.532 1.00 0.88 C ATOM 666 O GLY A 29 -2.025 18.725 -7.578 1.00 1.54 O ATOM 0 H GLY A 29 -3.299 17.173 -10.101 1.00 0.68 H new ATOM 0 HA2 GLY A 29 -1.466 19.318 -10.580 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -3.198 19.411 -10.329 1.00 0.80 H new ATOM 670 N TRP A 30 -1.897 20.820 -8.410 1.00 0.54 N ATOM 671 CA TRP A 30 -1.576 21.449 -7.134 1.00 0.56 C ATOM 672 C TRP A 30 -2.513 20.994 -6.013 1.00 0.54 C ATOM 673 O TRP A 30 -2.062 20.699 -4.907 1.00 0.52 O ATOM 674 CB TRP A 30 -1.622 22.975 -7.260 1.00 0.65 C ATOM 675 CG TRP A 30 -1.500 23.657 -5.936 1.00 0.75 C ATOM 676 CD1 TRP A 30 -0.350 23.959 -5.269 1.00 0.84 C ATOM 677 CD2 TRP A 30 -2.576 24.088 -5.101 1.00 0.86 C ATOM 678 NE1 TRP A 30 -0.648 24.542 -4.065 1.00 0.98 N ATOM 679 CE2 TRP A 30 -2.010 24.633 -3.942 1.00 0.99 C ATOM 680 CE3 TRP A 30 -3.967 24.062 -5.224 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -2.787 25.142 -2.912 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -4.736 24.570 -4.199 1.00 1.07 C ATOM 683 CH2 TRP A 30 -4.142 25.103 -3.056 1.00 1.18 C ATOM 0 H TRP A 30 -1.993 21.475 -9.186 1.00 0.54 H new ATOM 0 HA TRP A 30 -0.566 21.136 -6.871 1.00 0.56 H new ATOM 0 HB2 TRP A 30 -0.816 23.308 -7.913 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -2.558 23.270 -7.733 1.00 0.65 H new ATOM 0 HD1 TRP A 30 0.648 23.767 -5.635 1.00 0.84 H new ATOM 0 HE1 TRP A 30 0.033 24.857 -3.374 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -4.432 23.651 -6.108 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -2.333 25.556 -2.024 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -5.813 24.555 -4.282 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -4.769 25.493 -2.268 1.00 1.18 H new ATOM 694 N ILE A 31 -3.807 20.928 -6.307 1.00 0.60 N ATOM 695 CA ILE A 31 -4.812 20.604 -5.294 1.00 0.63 C ATOM 696 C ILE A 31 -4.496 19.277 -4.660 1.00 0.53 C ATOM 697 O ILE A 31 -4.319 19.170 -3.444 1.00 0.51 O ATOM 698 CB ILE A 31 -6.242 20.508 -5.867 1.00 0.76 C ATOM 699 CG1 ILE A 31 -6.716 21.852 -6.407 1.00 1.05 C ATOM 700 CG2 ILE A 31 -7.201 19.983 -4.814 1.00 0.69 C ATOM 701 CD1 ILE A 31 -6.022 22.233 -7.684 1.00 2.16 C ATOM 0 H ILE A 31 -4.188 21.094 -7.239 1.00 0.60 H new ATOM 0 HA ILE A 31 -4.779 21.419 -4.571 1.00 0.63 H new ATOM 0 HB ILE A 31 -6.223 19.806 -6.701 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -7.792 21.812 -6.579 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -6.541 22.624 -5.657 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -8.205 19.921 -5.234 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -6.881 18.992 -4.492 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -7.207 20.658 -3.958 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -6.395 23.198 -8.027 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -4.948 22.301 -7.508 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -6.218 21.477 -8.444 1.00 2.16 H new ATOM 713 N MET A 32 -4.414 18.267 -5.501 1.00 0.48 N ATOM 714 CA MET A 32 -4.192 16.935 -5.033 1.00 0.43 C ATOM 715 C MET A 32 -2.802 16.809 -4.436 1.00 0.38 C ATOM 716 O MET A 32 -2.569 16.022 -3.519 1.00 0.39 O ATOM 717 CB MET A 32 -4.393 15.933 -6.163 1.00 0.48 C ATOM 718 CG MET A 32 -5.814 15.917 -6.697 1.00 0.55 C ATOM 719 SD MET A 32 -7.040 15.680 -5.401 1.00 0.97 S ATOM 720 CE MET A 32 -6.343 14.261 -4.572 1.00 0.48 C ATOM 0 H MET A 32 -4.499 18.354 -6.514 1.00 0.48 H new ATOM 0 HA MET A 32 -4.919 16.714 -4.251 1.00 0.43 H new ATOM 0 HB2 MET A 32 -3.708 16.170 -6.977 1.00 0.48 H new ATOM 0 HB3 MET A 32 -4.133 14.936 -5.807 1.00 0.48 H new ATOM 0 HG2 MET A 32 -6.014 16.856 -7.214 1.00 0.55 H new ATOM 0 HG3 MET A 32 -5.912 15.120 -7.434 1.00 0.55 H new ATOM 0 HE1 MET A 32 -7.137 13.704 -4.074 1.00 0.48 H new ATOM 0 HE2 MET A 32 -5.851 13.618 -5.302 1.00 0.48 H new ATOM 0 HE3 MET A 32 -5.614 14.593 -3.832 1.00 0.48 H new ATOM 730 N ARG A 33 -1.899 17.638 -4.928 1.00 0.39 N ATOM 731 CA ARG A 33 -0.520 17.639 -4.487 1.00 0.41 C ATOM 732 C ARG A 33 -0.388 18.363 -3.145 1.00 0.45 C ATOM 733 O ARG A 33 0.711 18.608 -2.658 1.00 0.60 O ATOM 734 CB ARG A 33 0.342 18.304 -5.557 1.00 0.49 C ATOM 735 CG ARG A 33 1.829 18.076 -5.394 1.00 0.90 C ATOM 736 CD ARG A 33 2.580 18.521 -6.632 1.00 0.71 C ATOM 737 NE ARG A 33 2.353 19.938 -6.928 1.00 0.77 N ATOM 738 CZ ARG A 33 1.952 20.406 -8.112 1.00 0.99 C ATOM 739 NH1 ARG A 33 1.671 19.573 -9.107 1.00 1.87 N ATOM 740 NH2 ARG A 33 1.807 21.713 -8.293 1.00 1.03 N ATOM 0 H ARG A 33 -2.105 18.331 -5.647 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.180 16.614 -4.342 1.00 0.41 H new ATOM 0 HB2 ARG A 33 0.035 17.933 -6.535 1.00 0.49 H new ATOM 0 HB3 ARG A 33 0.148 19.377 -5.547 1.00 0.49 H new ATOM 0 HG2 ARG A 33 2.193 18.625 -4.525 1.00 0.90 H new ATOM 0 HG3 ARG A 33 2.021 17.020 -5.207 1.00 0.90 H new ATOM 0 HD2 ARG A 33 3.647 18.345 -6.492 1.00 0.71 H new ATOM 0 HD3 ARG A 33 2.266 17.917 -7.484 1.00 0.71 H new ATOM 0 HE ARG A 33 2.512 20.612 -6.179 1.00 0.77 H new ATOM 0 HH11 ARG A 33 1.761 18.566 -8.970 1.00 1.87 H new ATOM 0 HH12 ARG A 33 1.365 19.940 -10.008 1.00 1.87 H new ATOM 0 HH21 ARG A 33 2.002 22.359 -7.528 1.00 1.03 H new ATOM 0 HH22 ARG A 33 1.501 22.072 -9.197 1.00 1.03 H new ATOM 754 N GLN A 34 -1.528 18.725 -2.568 1.00 0.41 N ATOM 755 CA GLN A 34 -1.578 19.260 -1.215 1.00 0.46 C ATOM 756 C GLN A 34 -2.352 18.315 -0.304 1.00 0.47 C ATOM 757 O GLN A 34 -2.197 18.351 0.915 1.00 0.58 O ATOM 758 CB GLN A 34 -2.249 20.637 -1.207 1.00 0.51 C ATOM 759 CG GLN A 34 -1.438 21.735 -1.870 1.00 0.80 C ATOM 760 CD GLN A 34 -0.125 22.001 -1.163 1.00 1.39 C ATOM 761 OE1 GLN A 34 -0.047 22.857 -0.284 1.00 1.88 O ATOM 762 NE2 GLN A 34 0.907 21.256 -1.522 1.00 1.97 N ATOM 0 H GLN A 34 -2.438 18.656 -3.023 1.00 0.41 H new ATOM 0 HA GLN A 34 -0.556 19.359 -0.849 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -3.213 20.560 -1.710 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -2.450 20.924 -0.175 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -1.239 21.459 -2.905 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -2.026 22.652 -1.892 1.00 0.80 H new ATOM 0 HE21 GLN A 34 0.800 20.556 -2.256 1.00 1.97 H new ATOM 0 HE22 GLN A 34 1.810 21.381 -1.064 1.00 1.97 H new ATOM 771 N VAL A 35 -3.193 17.478 -0.900 1.00 0.42 N ATOM 772 CA VAL A 35 -4.029 16.545 -0.148 1.00 0.42 C ATOM 773 C VAL A 35 -3.322 15.207 0.060 1.00 0.40 C ATOM 774 O VAL A 35 -3.091 14.779 1.191 1.00 0.44 O ATOM 775 CB VAL A 35 -5.357 16.298 -0.897 1.00 0.45 C ATOM 776 CG1 VAL A 35 -6.216 15.267 -0.183 1.00 0.68 C ATOM 777 CG2 VAL A 35 -6.120 17.600 -1.072 1.00 0.65 C ATOM 0 H VAL A 35 -3.316 17.425 -1.911 1.00 0.42 H new ATOM 0 HA VAL A 35 -4.227 16.993 0.826 1.00 0.42 H new ATOM 0 HB VAL A 35 -5.113 15.900 -1.882 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -7.142 15.118 -0.738 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -5.675 14.323 -0.121 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -6.448 15.620 0.822 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -7.053 17.407 -1.602 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -6.340 18.027 -0.094 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -5.515 18.302 -1.647 1.00 0.65 H new ATOM 787 N ILE A 36 -3.005 14.554 -1.051 1.00 0.38 N ATOM 788 CA ILE A 36 -2.356 13.241 -1.073 1.00 0.39 C ATOM 789 C ILE A 36 -1.142 13.147 -0.143 1.00 0.46 C ATOM 790 O ILE A 36 -0.946 12.138 0.535 1.00 0.51 O ATOM 791 CB ILE A 36 -1.930 12.900 -2.503 1.00 0.42 C ATOM 792 CG1 ILE A 36 -3.112 13.088 -3.458 1.00 0.47 C ATOM 793 CG2 ILE A 36 -1.452 11.474 -2.553 1.00 0.48 C ATOM 794 CD1 ILE A 36 -2.765 12.890 -4.914 1.00 0.51 C ATOM 0 H ILE A 36 -3.194 14.926 -1.982 1.00 0.38 H new ATOM 0 HA ILE A 36 -3.091 12.524 -0.707 1.00 0.39 H new ATOM 0 HB ILE A 36 -1.122 13.564 -2.809 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -3.901 12.387 -3.185 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.517 14.091 -3.325 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -1.148 11.228 -3.570 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.603 11.351 -1.881 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -2.259 10.809 -2.244 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.656 13.041 -5.524 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -1.999 13.608 -5.206 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -2.389 11.878 -5.064 1.00 0.51 H new ATOM 806 N LYS A 37 -0.335 14.194 -0.099 1.00 0.52 N ATOM 807 CA LYS A 37 0.859 14.185 0.738 1.00 0.67 C ATOM 808 C LYS A 37 0.618 14.890 2.071 1.00 0.66 C ATOM 809 O LYS A 37 1.556 15.370 2.712 1.00 0.79 O ATOM 810 CB LYS A 37 2.047 14.805 -0.009 1.00 0.91 C ATOM 811 CG LYS A 37 1.690 15.994 -0.895 1.00 0.75 C ATOM 812 CD LYS A 37 1.311 17.239 -0.105 1.00 0.94 C ATOM 813 CE LYS A 37 2.505 17.852 0.610 1.00 0.70 C ATOM 814 NZ LYS A 37 3.687 17.993 -0.285 1.00 0.97 N ATOM 0 H LYS A 37 -0.480 15.055 -0.627 1.00 0.52 H new ATOM 0 HA LYS A 37 1.100 13.146 0.962 1.00 0.67 H new ATOM 0 HB2 LYS A 37 2.792 15.123 0.720 1.00 0.91 H new ATOM 0 HB3 LYS A 37 2.513 14.036 -0.626 1.00 0.91 H new ATOM 0 HG2 LYS A 37 2.537 16.225 -1.540 1.00 0.75 H new ATOM 0 HG3 LYS A 37 0.860 15.718 -1.545 1.00 0.75 H new ATOM 0 HD2 LYS A 37 0.876 17.976 -0.779 1.00 0.94 H new ATOM 0 HD3 LYS A 37 0.544 16.984 0.626 1.00 0.94 H new ATOM 0 HE2 LYS A 37 2.229 18.831 1.000 1.00 0.70 H new ATOM 0 HE3 LYS A 37 2.772 17.231 1.466 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 4.228 18.840 -0.015 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 4.293 17.152 -0.195 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 3.367 18.086 -1.270 1.00 0.97 H new ATOM 828 N LEU A 38 -0.637 14.953 2.483 1.00 0.63 N ATOM 829 CA LEU A 38 -1.008 15.536 3.752 1.00 0.70 C ATOM 830 C LEU A 38 -1.765 14.491 4.573 1.00 0.65 C ATOM 831 O LEU A 38 -1.505 14.314 5.765 1.00 0.91 O ATOM 832 CB LEU A 38 -1.836 16.805 3.473 1.00 0.82 C ATOM 833 CG LEU A 38 -2.651 17.409 4.619 1.00 1.08 C ATOM 834 CD1 LEU A 38 -3.957 16.650 4.781 1.00 2.08 C ATOM 835 CD2 LEU A 38 -1.857 17.434 5.920 1.00 1.61 C ATOM 0 H LEU A 38 -1.426 14.599 1.942 1.00 0.63 H new ATOM 0 HA LEU A 38 -0.138 15.831 4.338 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -1.154 17.573 3.110 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -2.525 16.580 2.659 1.00 0.82 H new ATOM 0 HG LEU A 38 -2.880 18.445 4.370 1.00 1.08 H new ATOM 0 HD11 LEU A 38 -4.532 17.085 5.598 1.00 2.08 H new ATOM 0 HD12 LEU A 38 -4.533 16.715 3.858 1.00 2.08 H new ATOM 0 HD13 LEU A 38 -3.745 15.604 5.003 1.00 2.08 H new ATOM 0 HD21 LEU A 38 -2.468 17.869 6.711 1.00 1.61 H new ATOM 0 HD22 LEU A 38 -1.578 16.417 6.195 1.00 1.61 H new ATOM 0 HD23 LEU A 38 -0.957 18.033 5.785 1.00 1.61 H new ATOM 847 N ALA A 39 -2.695 13.800 3.916 1.00 0.52 N ATOM 848 CA ALA A 39 -3.456 12.730 4.538 1.00 0.53 C ATOM 849 C ALA A 39 -2.548 11.702 5.204 1.00 0.60 C ATOM 850 O ALA A 39 -1.601 11.201 4.595 1.00 1.03 O ATOM 851 CB ALA A 39 -4.335 12.053 3.498 1.00 0.55 C ATOM 0 H ALA A 39 -2.938 13.969 2.940 1.00 0.52 H new ATOM 0 HA ALA A 39 -4.079 13.171 5.316 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -4.904 11.251 3.969 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -5.022 12.784 3.071 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -3.710 11.638 2.707 1.00 0.55 H new ATOM 857 N GLY A 40 -2.838 11.410 6.463 1.00 0.43 N ATOM 858 CA GLY A 40 -2.140 10.355 7.160 1.00 0.46 C ATOM 859 C GLY A 40 -2.625 8.998 6.707 1.00 0.46 C ATOM 860 O GLY A 40 -3.785 8.854 6.326 1.00 0.84 O ATOM 0 H GLY A 40 -3.549 11.889 7.015 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -1.068 10.442 6.980 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -2.292 10.460 8.234 1.00 0.46 H new ATOM 864 N VAL A 41 -1.752 8.007 6.743 1.00 0.44 N ATOM 865 CA VAL A 41 -2.083 6.698 6.211 1.00 0.45 C ATOM 866 C VAL A 41 -1.859 5.608 7.249 1.00 0.36 C ATOM 867 O VAL A 41 -0.826 5.570 7.915 1.00 0.41 O ATOM 868 CB VAL A 41 -1.248 6.363 4.959 1.00 0.67 C ATOM 869 CG1 VAL A 41 -1.804 5.132 4.265 1.00 0.95 C ATOM 870 CG2 VAL A 41 -1.186 7.548 4.009 1.00 1.30 C ATOM 0 H VAL A 41 -0.813 8.083 7.133 1.00 0.44 H new ATOM 0 HA VAL A 41 -3.138 6.734 5.939 1.00 0.45 H new ATOM 0 HB VAL A 41 -0.228 6.144 5.276 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -1.203 4.909 3.383 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -1.773 4.284 4.949 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -2.835 5.318 3.964 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -0.591 7.283 3.135 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -2.195 7.815 3.694 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -0.728 8.397 4.516 1.00 1.30 H new ATOM 880 N THR A 42 -2.850 4.751 7.398 1.00 0.31 N ATOM 881 CA THR A 42 -2.738 3.575 8.236 1.00 0.30 C ATOM 882 C THR A 42 -2.741 2.316 7.373 1.00 0.29 C ATOM 883 O THR A 42 -3.753 1.988 6.749 1.00 0.32 O ATOM 884 CB THR A 42 -3.903 3.517 9.237 1.00 0.35 C ATOM 885 OG1 THR A 42 -3.949 4.735 9.987 1.00 0.40 O ATOM 886 CG2 THR A 42 -3.759 2.336 10.185 1.00 0.45 C ATOM 0 H THR A 42 -3.756 4.851 6.941 1.00 0.31 H new ATOM 0 HA THR A 42 -1.800 3.632 8.788 1.00 0.30 H new ATOM 0 HB THR A 42 -4.829 3.390 8.677 1.00 0.35 H new ATOM 0 HG1 THR A 42 -4.693 4.699 10.624 1.00 0.40 H new ATOM 0 HG21 THR A 42 -4.598 2.323 10.880 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.748 1.409 9.612 1.00 0.45 H new ATOM 0 HG23 THR A 42 -2.827 2.429 10.743 1.00 0.45 H new ATOM 894 N LYS A 43 -1.605 1.633 7.315 1.00 0.31 N ATOM 895 CA LYS A 43 -1.490 0.401 6.542 1.00 0.35 C ATOM 896 C LYS A 43 -1.950 -0.787 7.373 1.00 0.33 C ATOM 897 O LYS A 43 -1.599 -0.899 8.546 1.00 0.41 O ATOM 898 CB LYS A 43 -0.041 0.189 6.092 1.00 0.50 C ATOM 899 CG LYS A 43 0.398 1.098 4.953 1.00 0.77 C ATOM 900 CD LYS A 43 -0.127 0.606 3.615 1.00 0.53 C ATOM 901 CE LYS A 43 0.344 1.480 2.463 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.315 2.811 2.453 1.00 0.79 N ATOM 0 H LYS A 43 -0.749 1.911 7.794 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.126 0.485 5.661 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.619 0.349 6.944 1.00 0.50 H new ATOM 0 HB3 LYS A 43 0.083 -0.849 5.782 1.00 0.50 H new ATOM 0 HG2 LYS A 43 0.040 2.111 5.136 1.00 0.77 H new ATOM 0 HG3 LYS A 43 1.487 1.146 4.923 1.00 0.77 H new ATOM 0 HD2 LYS A 43 0.203 -0.420 3.451 1.00 0.53 H new ATOM 0 HD3 LYS A 43 -1.217 0.590 3.636 1.00 0.53 H new ATOM 0 HE2 LYS A 43 1.424 1.613 2.530 1.00 0.59 H new ATOM 0 HE3 LYS A 43 0.143 0.972 1.520 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 -0.207 3.245 1.514 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -1.326 2.699 2.668 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 0.126 3.422 3.170 1.00 0.79 H new ATOM 916 N LYS A 44 -2.749 -1.659 6.776 1.00 0.31 N ATOM 917 CA LYS A 44 -3.222 -2.854 7.459 1.00 0.35 C ATOM 918 C LYS A 44 -3.000 -4.085 6.597 1.00 0.34 C ATOM 919 O LYS A 44 -3.533 -4.181 5.492 1.00 0.47 O ATOM 920 CB LYS A 44 -4.711 -2.743 7.786 1.00 0.44 C ATOM 921 CG LYS A 44 -5.066 -1.615 8.736 1.00 0.90 C ATOM 922 CD LYS A 44 -6.562 -1.565 8.982 1.00 0.88 C ATOM 923 CE LYS A 44 -6.950 -0.423 9.902 1.00 1.39 C ATOM 924 NZ LYS A 44 -8.424 -0.346 10.077 1.00 1.96 N ATOM 0 H LYS A 44 -3.084 -1.561 5.818 1.00 0.31 H new ATOM 0 HA LYS A 44 -2.656 -2.948 8.386 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -5.264 -2.606 6.857 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -5.046 -3.685 8.220 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -4.542 -1.753 9.682 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -4.730 -0.665 8.321 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -7.082 -1.456 8.030 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -6.889 -2.509 9.418 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -6.473 -0.558 10.873 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -6.581 0.518 9.493 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -8.650 0.353 10.813 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -8.866 -0.060 9.180 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -8.789 -1.278 10.361 1.00 1.96 H new ATOM 938 N PHE A 45 -2.203 -5.009 7.096 1.00 0.29 N ATOM 939 CA PHE A 45 -2.011 -6.292 6.443 1.00 0.29 C ATOM 940 C PHE A 45 -2.374 -7.407 7.408 1.00 0.30 C ATOM 941 O PHE A 45 -1.872 -7.453 8.529 1.00 0.37 O ATOM 942 CB PHE A 45 -0.569 -6.459 5.977 1.00 0.32 C ATOM 943 CG PHE A 45 -0.166 -5.538 4.863 1.00 0.36 C ATOM 944 CD1 PHE A 45 0.250 -4.243 5.130 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.190 -5.974 3.549 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.635 -3.403 4.107 1.00 0.49 C ATOM 947 CE2 PHE A 45 0.192 -5.136 2.523 1.00 0.52 C ATOM 948 CZ PHE A 45 0.604 -3.850 2.802 1.00 0.54 C ATOM 0 H PHE A 45 -1.673 -4.895 7.960 1.00 0.29 H new ATOM 0 HA PHE A 45 -2.657 -6.337 5.566 1.00 0.29 H new ATOM 0 HB2 PHE A 45 0.095 -6.295 6.826 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -0.422 -7.489 5.651 1.00 0.32 H new ATOM 0 HD1 PHE A 45 0.273 -3.888 6.150 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -0.511 -6.981 3.326 1.00 0.44 H new ATOM 0 HE1 PHE A 45 0.960 -2.397 4.327 1.00 0.49 H new ATOM 0 HE2 PHE A 45 0.169 -5.486 1.502 1.00 0.52 H new ATOM 0 HZ PHE A 45 0.902 -3.193 1.999 1.00 0.54 H new ATOM 958 N ARG A 46 -3.253 -8.295 6.985 1.00 0.31 N ATOM 959 CA ARG A 46 -3.750 -9.343 7.859 1.00 0.33 C ATOM 960 C ARG A 46 -4.249 -10.529 7.055 1.00 0.31 C ATOM 961 O ARG A 46 -4.412 -10.444 5.842 1.00 0.33 O ATOM 962 CB ARG A 46 -4.879 -8.784 8.731 1.00 0.39 C ATOM 963 CG ARG A 46 -5.976 -8.111 7.924 1.00 0.50 C ATOM 964 CD ARG A 46 -6.975 -7.383 8.805 1.00 0.64 C ATOM 965 NE ARG A 46 -7.778 -8.302 9.611 1.00 1.51 N ATOM 966 CZ ARG A 46 -9.106 -8.257 9.689 1.00 2.03 C ATOM 967 NH1 ARG A 46 -9.789 -7.367 8.979 1.00 1.85 N ATOM 968 NH2 ARG A 46 -9.752 -9.111 10.473 1.00 3.17 N ATOM 0 H ARG A 46 -3.639 -8.313 6.041 1.00 0.31 H new ATOM 0 HA ARG A 46 -2.933 -9.687 8.494 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -5.312 -9.594 9.318 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -4.463 -8.066 9.438 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -5.528 -7.404 7.225 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -6.498 -8.860 7.329 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -6.443 -6.696 9.463 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -7.634 -6.780 8.181 1.00 0.64 H new ATOM 0 HE ARG A 46 -7.291 -9.021 10.146 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -9.296 -6.714 8.370 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -10.807 -7.337 9.042 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -9.231 -9.800 11.015 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -10.770 -9.078 10.534 1.00 3.17 H new ATOM 982 N ASN A 47 -4.454 -11.638 7.742 1.00 0.33 N ATOM 983 CA ASN A 47 -5.085 -12.814 7.152 1.00 0.37 C ATOM 984 C ASN A 47 -6.508 -12.457 6.735 1.00 0.39 C ATOM 985 O ASN A 47 -7.095 -11.533 7.297 1.00 0.54 O ATOM 986 CB ASN A 47 -5.097 -13.964 8.158 1.00 0.50 C ATOM 987 CG ASN A 47 -3.702 -14.409 8.555 1.00 0.92 C ATOM 988 OD1 ASN A 47 -3.126 -13.904 9.521 1.00 1.85 O ATOM 989 ND2 ASN A 47 -3.146 -15.354 7.814 1.00 1.44 N ATOM 0 H ASN A 47 -4.191 -11.753 8.721 1.00 0.33 H new ATOM 0 HA ASN A 47 -4.521 -13.133 6.276 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -5.643 -13.656 9.050 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -5.636 -14.810 7.731 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -2.208 -15.689 8.034 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -3.655 -15.747 7.022 1.00 1.44 H new ATOM 996 N ALA A 48 -7.067 -13.169 5.753 1.00 0.36 N ATOM 997 CA ALA A 48 -8.403 -12.849 5.251 1.00 0.41 C ATOM 998 C ALA A 48 -9.429 -12.905 6.368 1.00 0.64 C ATOM 999 O ALA A 48 -9.380 -13.773 7.241 1.00 0.87 O ATOM 1000 CB ALA A 48 -8.791 -13.800 4.132 1.00 0.49 C ATOM 0 H ALA A 48 -6.620 -13.963 5.295 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.382 -11.833 4.856 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -9.788 -13.548 3.770 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -8.075 -13.712 3.315 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -8.789 -14.823 4.507 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.363 -11.966 6.316 1.00 0.83 N ATOM 1007 CA ALA A 49 -11.314 -11.755 7.392 1.00 1.18 C ATOM 1008 C ALA A 49 -12.241 -12.943 7.562 1.00 1.17 C ATOM 1009 O ALA A 49 -12.628 -13.269 8.680 1.00 1.46 O ATOM 1010 CB ALA A 49 -12.112 -10.493 7.141 1.00 1.48 C ATOM 0 H ALA A 49 -10.481 -11.331 5.527 1.00 0.83 H new ATOM 0 HA ALA A 49 -10.751 -11.644 8.319 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -12.823 -10.344 7.954 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -11.436 -9.639 7.089 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -12.653 -10.586 6.199 1.00 1.48 H new ATOM 1016 N SER A 50 -12.608 -13.584 6.458 1.00 1.12 N ATOM 1017 CA SER A 50 -13.442 -14.778 6.515 1.00 1.50 C ATOM 1018 C SER A 50 -12.656 -16.009 6.970 1.00 1.66 C ATOM 1019 O SER A 50 -13.164 -17.131 6.920 1.00 2.19 O ATOM 1020 CB SER A 50 -14.065 -15.034 5.141 1.00 1.77 C ATOM 1021 OG SER A 50 -13.072 -15.089 4.125 1.00 2.37 O ATOM 0 H SER A 50 -12.342 -13.298 5.516 1.00 1.12 H new ATOM 0 HA SER A 50 -14.225 -14.602 7.253 1.00 1.50 H new ATOM 0 HB2 SER A 50 -14.621 -15.972 5.160 1.00 1.77 H new ATOM 0 HB3 SER A 50 -14.780 -14.244 4.911 1.00 1.77 H new ATOM 0 HG SER A 50 -12.887 -14.184 3.799 1.00 2.37 H new ATOM 1027 N GLY A 51 -11.424 -15.796 7.421 1.00 1.42 N ATOM 1028 CA GLY A 51 -10.587 -16.898 7.858 1.00 1.68 C ATOM 1029 C GLY A 51 -10.268 -17.863 6.738 1.00 1.70 C ATOM 1030 O GLY A 51 -10.072 -19.056 6.975 1.00 1.91 O ATOM 0 H GLY A 51 -10.989 -14.876 7.492 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -9.658 -16.503 8.269 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -11.089 -17.434 8.663 1.00 1.68 H new ATOM 1034 N LYS A 52 -10.214 -17.351 5.520 1.00 1.54 N ATOM 1035 CA LYS A 52 -9.960 -18.178 4.354 1.00 1.60 C ATOM 1036 C LYS A 52 -8.457 -18.362 4.161 1.00 1.44 C ATOM 1037 O LYS A 52 -7.740 -17.394 3.906 1.00 1.37 O ATOM 1038 CB LYS A 52 -10.586 -17.531 3.115 1.00 1.62 C ATOM 1039 CG LYS A 52 -11.210 -18.528 2.151 1.00 1.92 C ATOM 1040 CD LYS A 52 -10.172 -19.429 1.499 1.00 1.94 C ATOM 1041 CE LYS A 52 -10.830 -20.526 0.676 1.00 2.59 C ATOM 1042 NZ LYS A 52 -9.831 -21.384 -0.013 1.00 3.17 N ATOM 0 H LYS A 52 -10.344 -16.361 5.313 1.00 1.54 H new ATOM 0 HA LYS A 52 -10.411 -19.159 4.503 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -11.349 -16.821 3.434 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -9.821 -16.961 2.588 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -11.936 -19.141 2.685 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -11.757 -17.989 1.378 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -9.521 -18.833 0.860 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -9.542 -19.877 2.268 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -11.451 -21.143 1.326 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -11.492 -20.076 -0.064 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -10.323 -22.118 -0.562 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -9.255 -20.801 -0.653 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -9.215 -21.835 0.693 1.00 3.17 H new ATOM 1056 N PRO A 53 -7.965 -19.607 4.310 1.00 1.49 N ATOM 1057 CA PRO A 53 -6.543 -19.934 4.139 1.00 1.40 C ATOM 1058 C PRO A 53 -5.965 -19.432 2.821 1.00 1.15 C ATOM 1059 O PRO A 53 -6.638 -19.454 1.784 1.00 1.15 O ATOM 1060 CB PRO A 53 -6.529 -21.460 4.175 1.00 1.68 C ATOM 1061 CG PRO A 53 -7.692 -21.807 5.024 1.00 1.84 C ATOM 1062 CD PRO A 53 -8.752 -20.798 4.681 1.00 1.76 C ATOM 0 HA PRO A 53 -5.930 -19.460 4.906 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -6.623 -21.884 3.175 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -5.599 -21.841 4.596 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -8.036 -22.822 4.823 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -7.434 -21.761 6.082 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -9.382 -21.138 3.859 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -9.410 -20.600 5.527 1.00 1.76 H new ATOM 1070 N ASP A 54 -4.726 -18.948 2.903 1.00 1.04 N ATOM 1071 CA ASP A 54 -3.956 -18.450 1.755 1.00 0.90 C ATOM 1072 C ASP A 54 -4.344 -17.016 1.438 1.00 0.68 C ATOM 1073 O ASP A 54 -3.485 -16.161 1.241 1.00 0.97 O ATOM 1074 CB ASP A 54 -4.109 -19.334 0.508 1.00 1.06 C ATOM 1075 CG ASP A 54 -3.498 -20.709 0.683 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -4.261 -21.691 0.825 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -2.252 -20.816 0.694 1.00 1.60 O ATOM 0 H ASP A 54 -4.216 -18.888 3.785 1.00 1.04 H new ATOM 0 HA ASP A 54 -2.905 -18.485 2.041 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -5.168 -19.440 0.271 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -3.640 -18.839 -0.342 1.00 1.06 H new ATOM 1082 N ARG A 55 -5.639 -16.768 1.351 1.00 0.63 N ATOM 1083 CA ARG A 55 -6.148 -15.416 1.152 1.00 0.47 C ATOM 1084 C ARG A 55 -5.873 -14.525 2.365 1.00 0.41 C ATOM 1085 O ARG A 55 -5.889 -14.981 3.514 1.00 0.51 O ATOM 1086 CB ARG A 55 -7.652 -15.448 0.853 1.00 0.64 C ATOM 1087 CG ARG A 55 -8.038 -16.471 -0.203 1.00 1.24 C ATOM 1088 CD ARG A 55 -9.481 -16.304 -0.658 1.00 1.87 C ATOM 1089 NE ARG A 55 -9.641 -15.195 -1.596 1.00 2.57 N ATOM 1090 CZ ARG A 55 -10.821 -14.752 -2.033 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -11.948 -15.282 -1.569 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -10.874 -13.781 -2.937 1.00 4.10 N ATOM 0 H ARG A 55 -6.362 -17.485 1.415 1.00 0.63 H new ATOM 0 HA ARG A 55 -5.622 -14.990 0.297 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -8.193 -15.666 1.774 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -7.970 -14.459 0.523 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -7.374 -16.374 -1.062 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -7.898 -17.475 0.197 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -9.821 -17.227 -1.128 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -10.117 -16.137 0.211 1.00 1.87 H new ATOM 0 HE ARG A 55 -8.799 -14.731 -1.937 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -11.913 -16.030 -0.876 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -12.848 -14.941 -1.905 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -10.012 -13.373 -3.298 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -11.777 -13.443 -3.270 1.00 4.10 H new ATOM 1106 N TYR A 56 -5.616 -13.254 2.095 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.363 -12.265 3.130 1.00 0.32 C ATOM 1108 C TYR A 56 -6.325 -11.088 2.983 1.00 0.33 C ATOM 1109 O TYR A 56 -7.182 -11.084 2.107 1.00 0.41 O ATOM 1110 CB TYR A 56 -3.914 -11.771 3.048 1.00 0.34 C ATOM 1111 CG TYR A 56 -2.893 -12.781 3.526 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -2.339 -13.696 2.642 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -2.485 -12.821 4.852 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -1.408 -14.622 3.064 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -1.552 -13.743 5.283 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.021 -14.628 4.420 1.00 0.77 C ATOM 1117 OH TYR A 56 -0.095 -15.565 4.808 1.00 0.97 O ATOM 0 H TYR A 56 -5.577 -12.879 1.147 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.522 -12.731 4.103 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -3.690 -11.503 2.015 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -3.816 -10.862 3.641 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -2.642 -13.683 1.605 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -2.904 -12.120 5.558 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -0.983 -15.330 2.368 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.247 -13.754 6.319 1.00 0.69 H new ATOM 0 HH TYR A 56 0.804 -15.179 4.753 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.181 -10.105 3.855 1.00 0.32 N ATOM 1128 CA ASP A 57 -6.995 -8.897 3.816 1.00 0.34 C ATOM 1129 C ASP A 57 -6.088 -7.694 4.054 1.00 0.29 C ATOM 1130 O ASP A 57 -5.199 -7.744 4.904 1.00 0.32 O ATOM 1131 CB ASP A 57 -8.100 -8.969 4.882 1.00 0.43 C ATOM 1132 CG ASP A 57 -9.103 -7.832 4.798 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -8.806 -6.726 5.291 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -10.210 -8.049 4.259 1.00 0.99 O ATOM 0 H ASP A 57 -5.497 -10.120 4.611 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.477 -8.800 2.843 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -8.629 -9.917 4.781 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -7.640 -8.964 5.870 1.00 0.43 H new ATOM 1139 N MET A 58 -6.277 -6.631 3.287 1.00 0.27 N ATOM 1140 CA MET A 58 -5.387 -5.476 3.364 1.00 0.26 C ATOM 1141 C MET A 58 -6.193 -4.189 3.259 1.00 0.27 C ATOM 1142 O MET A 58 -7.135 -4.105 2.475 1.00 0.33 O ATOM 1143 CB MET A 58 -4.329 -5.557 2.253 1.00 0.30 C ATOM 1144 CG MET A 58 -3.233 -4.508 2.355 1.00 0.51 C ATOM 1145 SD MET A 58 -3.743 -2.888 1.758 1.00 0.98 S ATOM 1146 CE MET A 58 -2.388 -1.882 2.345 1.00 0.36 C ATOM 0 H MET A 58 -7.032 -6.541 2.608 1.00 0.27 H new ATOM 0 HA MET A 58 -4.874 -5.478 4.326 1.00 0.26 H new ATOM 0 HB2 MET A 58 -3.872 -6.546 2.274 1.00 0.30 H new ATOM 0 HB3 MET A 58 -4.824 -5.455 1.287 1.00 0.30 H new ATOM 0 HG2 MET A 58 -2.917 -4.422 3.395 1.00 0.51 H new ATOM 0 HG3 MET A 58 -2.366 -4.841 1.785 1.00 0.51 H new ATOM 0 HE1 MET A 58 -2.780 -1.044 2.921 1.00 0.36 H new ATOM 0 HE2 MET A 58 -1.736 -2.484 2.978 1.00 0.36 H new ATOM 0 HE3 MET A 58 -1.820 -1.504 1.495 1.00 0.36 H new ATOM 1156 N GLU A 59 -5.823 -3.183 4.042 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.613 -1.966 4.121 1.00 0.32 C ATOM 1158 C GLU A 59 -5.730 -0.722 4.229 1.00 0.31 C ATOM 1159 O GLU A 59 -4.640 -0.763 4.803 1.00 0.31 O ATOM 1160 CB GLU A 59 -7.555 -2.080 5.327 1.00 0.46 C ATOM 1161 CG GLU A 59 -8.515 -0.917 5.512 1.00 1.03 C ATOM 1162 CD GLU A 59 -9.394 -1.101 6.730 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -10.081 -2.141 6.819 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -9.392 -0.217 7.610 1.00 1.11 O ATOM 0 H GLU A 59 -4.987 -3.187 4.626 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.192 -1.854 3.205 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -8.136 -2.997 5.228 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -6.953 -2.180 6.230 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -7.949 0.009 5.609 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -9.140 -0.817 4.625 1.00 1.03 H new ATOM 1171 N ASN A 60 -6.212 0.379 3.655 1.00 0.36 N ATOM 1172 CA ASN A 60 -5.536 1.672 3.743 1.00 0.42 C ATOM 1173 C ASN A 60 -6.516 2.718 4.237 1.00 0.46 C ATOM 1174 O ASN A 60 -7.415 3.129 3.502 1.00 0.60 O ATOM 1175 CB ASN A 60 -4.984 2.142 2.389 1.00 0.44 C ATOM 1176 CG ASN A 60 -3.922 1.239 1.809 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -2.738 1.386 2.110 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -4.332 0.327 0.942 1.00 1.02 N ATOM 0 H ASN A 60 -7.079 0.400 3.118 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.699 1.548 4.431 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -5.808 2.218 1.680 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -4.570 3.144 2.505 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -3.655 -0.290 0.493 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -5.325 0.241 0.723 1.00 1.02 H new ATOM 1185 N LEU A 61 -6.358 3.135 5.477 1.00 0.38 N ATOM 1186 CA LEU A 61 -7.202 4.176 6.029 1.00 0.39 C ATOM 1187 C LEU A 61 -6.437 5.490 6.084 1.00 0.39 C ATOM 1188 O LEU A 61 -5.331 5.547 6.621 1.00 0.50 O ATOM 1189 CB LEU A 61 -7.692 3.785 7.423 1.00 0.42 C ATOM 1190 CG LEU A 61 -8.573 4.825 8.109 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -9.847 5.068 7.311 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -8.906 4.388 9.524 1.00 1.66 C ATOM 0 H LEU A 61 -5.655 2.770 6.120 1.00 0.38 H new ATOM 0 HA LEU A 61 -8.072 4.302 5.384 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -8.249 2.851 7.348 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -6.826 3.590 8.055 1.00 0.42 H new ATOM 0 HG LEU A 61 -8.019 5.762 8.157 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -10.459 5.813 7.820 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -9.589 5.429 6.315 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -10.406 4.136 7.226 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -9.535 5.141 9.999 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -9.438 3.437 9.495 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -7.985 4.272 10.095 1.00 1.66 H new ATOM 1204 N THR A 62 -7.019 6.539 5.525 1.00 0.34 N ATOM 1205 CA THR A 62 -6.378 7.832 5.495 1.00 0.35 C ATOM 1206 C THR A 62 -7.327 8.884 6.038 1.00 0.37 C ATOM 1207 O THR A 62 -8.440 8.561 6.458 1.00 0.43 O ATOM 1208 CB THR A 62 -5.923 8.222 4.069 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.051 8.317 3.193 1.00 0.34 O ATOM 1210 CG2 THR A 62 -4.945 7.202 3.510 1.00 0.45 C ATOM 0 H THR A 62 -7.939 6.514 5.085 1.00 0.34 H new ATOM 0 HA THR A 62 -5.487 7.775 6.120 1.00 0.35 H new ATOM 0 HB THR A 62 -5.427 9.191 4.134 1.00 0.36 H new ATOM 0 HG1 THR A 62 -6.869 8.982 2.497 1.00 0.34 H new ATOM 0 HG21 THR A 62 -4.642 7.501 2.507 1.00 0.45 H new ATOM 0 HG22 THR A 62 -4.067 7.149 4.154 1.00 0.45 H new ATOM 0 HG23 THR A 62 -5.424 6.224 3.468 1.00 0.45 H new ATOM 1218 N THR A 63 -6.904 10.127 6.036 1.00 0.42 N ATOM 1219 CA THR A 63 -7.743 11.205 6.518 1.00 0.46 C ATOM 1220 C THR A 63 -8.737 11.627 5.444 1.00 0.46 C ATOM 1221 O THR A 63 -9.858 12.045 5.736 1.00 0.54 O ATOM 1222 CB THR A 63 -6.867 12.401 6.922 1.00 0.50 C ATOM 1223 OG1 THR A 63 -6.295 13.010 5.759 1.00 0.52 O ATOM 1224 CG2 THR A 63 -5.748 11.928 7.826 1.00 0.50 C ATOM 0 H THR A 63 -5.984 10.419 5.706 1.00 0.42 H new ATOM 0 HA THR A 63 -8.300 10.856 7.387 1.00 0.46 H new ATOM 0 HB THR A 63 -7.488 13.128 7.445 1.00 0.50 H new ATOM 0 HG1 THR A 63 -6.017 13.925 5.972 1.00 0.52 H new ATOM 0 HG21 THR A 63 -5.127 12.777 8.112 1.00 0.50 H new ATOM 0 HG22 THR A 63 -6.171 11.471 8.720 1.00 0.50 H new ATOM 0 HG23 THR A 63 -5.139 11.195 7.298 1.00 0.50 H new ATOM 1232 N LYS A 64 -8.323 11.479 4.196 1.00 0.46 N ATOM 1233 CA LYS A 64 -9.105 11.945 3.066 1.00 0.50 C ATOM 1234 C LYS A 64 -9.842 10.792 2.385 1.00 0.49 C ATOM 1235 O LYS A 64 -10.851 10.998 1.712 1.00 0.60 O ATOM 1236 CB LYS A 64 -8.171 12.646 2.075 1.00 0.59 C ATOM 1237 CG LYS A 64 -8.852 13.136 0.808 1.00 0.83 C ATOM 1238 CD LYS A 64 -10.018 14.063 1.121 1.00 0.88 C ATOM 1239 CE LYS A 64 -10.766 14.460 -0.138 1.00 1.64 C ATOM 1240 NZ LYS A 64 -11.971 15.274 0.169 1.00 2.24 N ATOM 0 H LYS A 64 -7.441 11.035 3.940 1.00 0.46 H new ATOM 0 HA LYS A 64 -9.861 12.645 3.422 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -7.704 13.495 2.573 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -7.371 11.959 1.800 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -8.128 13.660 0.184 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -9.210 12.282 0.233 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -10.702 13.569 1.811 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -9.649 14.957 1.623 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -10.102 15.026 -0.792 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -11.062 13.564 -0.683 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -12.455 15.526 -0.717 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -12.616 14.725 0.772 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -11.686 16.142 0.666 1.00 2.24 H new ATOM 1254 N LYS A 65 -9.348 9.579 2.569 1.00 0.49 N ATOM 1255 CA LYS A 65 -9.902 8.425 1.880 1.00 0.49 C ATOM 1256 C LYS A 65 -9.989 7.200 2.783 1.00 0.52 C ATOM 1257 O LYS A 65 -10.013 7.314 4.010 1.00 1.09 O ATOM 1258 CB LYS A 65 -9.093 8.135 0.603 1.00 0.73 C ATOM 1259 CG LYS A 65 -9.685 8.778 -0.644 1.00 1.18 C ATOM 1260 CD LYS A 65 -11.170 8.441 -0.819 1.00 1.22 C ATOM 1261 CE LYS A 65 -11.418 6.938 -0.927 1.00 1.36 C ATOM 1262 NZ LYS A 65 -12.834 6.584 -0.630 1.00 1.82 N ATOM 0 H LYS A 65 -8.566 9.368 3.189 1.00 0.49 H new ATOM 0 HA LYS A 65 -10.926 8.664 1.595 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -8.073 8.493 0.739 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -9.035 7.057 0.455 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -9.564 9.860 -0.585 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -9.132 8.442 -1.521 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -11.732 8.839 0.026 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -11.548 8.934 -1.714 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -11.163 6.600 -1.931 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -10.760 6.411 -0.236 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -13.049 5.648 -1.029 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -12.978 6.562 0.400 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -13.465 7.294 -1.053 1.00 1.82 H new ATOM 1276 N ASP A 66 -9.990 6.042 2.147 1.00 0.47 N ATOM 1277 CA ASP A 66 -10.339 4.778 2.779 1.00 0.39 C ATOM 1278 C ASP A 66 -10.424 3.703 1.708 1.00 0.43 C ATOM 1279 O ASP A 66 -11.043 3.909 0.663 1.00 0.66 O ATOM 1280 CB ASP A 66 -11.677 4.865 3.530 1.00 0.57 C ATOM 1281 CG ASP A 66 -12.876 5.006 2.605 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -13.596 4.003 2.389 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -13.102 6.119 2.083 1.00 2.12 O ATOM 0 H ASP A 66 -9.745 5.950 1.161 1.00 0.47 H new ATOM 0 HA ASP A 66 -9.568 4.534 3.509 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.801 3.971 4.142 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -11.649 5.716 4.211 1.00 0.57 H new ATOM 1288 N THR A 67 -9.764 2.585 1.947 1.00 0.35 N ATOM 1289 CA THR A 67 -9.790 1.457 1.026 1.00 0.32 C ATOM 1290 C THR A 67 -9.689 0.165 1.811 1.00 0.26 C ATOM 1291 O THR A 67 -8.964 0.103 2.798 1.00 0.30 O ATOM 1292 CB THR A 67 -8.626 1.505 0.015 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.373 1.559 0.705 1.00 0.38 O ATOM 1294 CG2 THR A 67 -8.748 2.702 -0.904 1.00 0.56 C ATOM 0 H THR A 67 -9.196 2.430 2.780 1.00 0.35 H new ATOM 0 HA THR A 67 -10.728 1.510 0.473 1.00 0.32 H new ATOM 0 HB THR A 67 -8.672 0.598 -0.588 1.00 0.38 H new ATOM 0 HG1 THR A 67 -7.203 0.698 1.142 1.00 0.38 H new ATOM 0 HG21 THR A 67 -7.914 2.709 -1.605 1.00 0.56 H new ATOM 0 HG22 THR A 67 -9.686 2.643 -1.456 1.00 0.56 H new ATOM 0 HG23 THR A 67 -8.733 3.618 -0.313 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.383 -0.866 1.367 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.388 -2.132 2.079 1.00 0.23 C ATOM 1304 C HIS A 68 -10.426 -3.290 1.092 1.00 0.22 C ATOM 1305 O HIS A 68 -11.485 -3.660 0.579 1.00 0.27 O ATOM 1306 CB HIS A 68 -11.579 -2.208 3.045 1.00 0.32 C ATOM 1307 CG HIS A 68 -11.629 -3.462 3.877 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -12.515 -3.637 4.913 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -10.918 -4.614 3.802 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -12.352 -4.839 5.434 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -11.386 -5.450 4.777 1.00 1.95 N ATOM 0 H HIS A 68 -10.950 -0.853 0.519 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.471 -2.202 2.665 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -11.546 -1.346 3.711 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -12.502 -2.131 2.470 1.00 0.32 H new ATOM 0 HD2 HIS A 68 -10.126 -4.831 3.100 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -12.914 -5.252 6.258 1.00 1.69 H new ATOM 0 HE2 HIS A 68 -11.044 -6.392 4.965 1.00 1.95 H new ATOM 1320 N HIS A 69 -9.264 -3.872 0.856 1.00 0.23 N ATOM 1321 CA HIS A 69 -9.148 -5.033 -0.008 1.00 0.26 C ATOM 1322 C HIS A 69 -9.590 -6.263 0.767 1.00 0.29 C ATOM 1323 O HIS A 69 -8.771 -6.965 1.356 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.709 -5.217 -0.486 1.00 0.32 C ATOM 1325 CG HIS A 69 -7.070 -3.970 -1.011 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.697 -3.096 -1.867 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.840 -3.461 -0.799 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -6.877 -2.113 -2.165 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.737 -2.307 -1.527 1.00 0.39 N ATOM 0 H HIS A 69 -8.380 -3.556 1.255 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.780 -4.889 -0.884 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -7.110 -5.598 0.341 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -7.693 -5.976 -1.268 1.00 0.32 H new ATOM 0 HD1 HIS A 69 -8.650 -3.195 -2.216 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -5.074 -3.887 -0.168 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -7.098 -1.285 -2.822 1.00 0.37 H new ATOM 1338 N LYS A 70 -10.890 -6.485 0.797 1.00 0.31 N ATOM 1339 CA LYS A 70 -11.468 -7.555 1.589 1.00 0.37 C ATOM 1340 C LYS A 70 -11.244 -8.929 0.955 1.00 0.31 C ATOM 1341 O LYS A 70 -11.697 -9.188 -0.161 1.00 0.33 O ATOM 1342 CB LYS A 70 -12.957 -7.281 1.791 1.00 0.49 C ATOM 1343 CG LYS A 70 -13.680 -6.888 0.516 1.00 1.01 C ATOM 1344 CD LYS A 70 -15.066 -6.357 0.807 1.00 1.00 C ATOM 1345 CE LYS A 70 -15.021 -4.942 1.366 1.00 1.43 C ATOM 1346 NZ LYS A 70 -14.558 -3.956 0.349 1.00 2.30 N ATOM 0 H LYS A 70 -11.572 -5.933 0.277 1.00 0.31 H new ATOM 0 HA LYS A 70 -10.966 -7.577 2.556 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -13.429 -8.171 2.207 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -13.075 -6.485 2.526 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -13.102 -6.130 -0.012 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -13.751 -7.752 -0.144 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -15.659 -6.368 -0.107 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -15.565 -7.014 1.519 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -16.013 -4.660 1.720 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -14.355 -4.914 2.228 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -15.032 -3.044 0.509 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -13.529 -3.830 0.431 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -14.790 -4.305 -0.603 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.518 -9.781 1.683 1.00 0.33 N ATOM 1361 CA ASP A 71 -10.293 -11.183 1.306 1.00 0.37 C ATOM 1362 C ASP A 71 -9.749 -11.312 -0.118 1.00 0.33 C ATOM 1363 O ASP A 71 -10.495 -11.574 -1.064 1.00 0.42 O ATOM 1364 CB ASP A 71 -11.580 -12.010 1.455 1.00 0.51 C ATOM 1365 CG ASP A 71 -12.151 -11.984 2.865 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -11.781 -12.846 3.689 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -12.985 -11.100 3.154 1.00 2.07 O ATOM 0 H ASP A 71 -10.065 -9.517 2.558 1.00 0.33 H new ATOM 0 HA ASP A 71 -9.541 -11.576 1.990 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -12.329 -11.632 0.760 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -11.375 -13.043 1.172 1.00 0.51 H new ATOM 1372 N TRP A 72 -8.447 -11.121 -0.260 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.773 -11.264 -1.545 1.00 0.30 C ATOM 1374 C TRP A 72 -6.735 -12.375 -1.471 1.00 0.31 C ATOM 1375 O TRP A 72 -6.125 -12.590 -0.428 1.00 0.29 O ATOM 1376 CB TRP A 72 -7.102 -9.946 -1.945 1.00 0.30 C ATOM 1377 CG TRP A 72 -6.166 -9.402 -0.903 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.483 -8.537 0.101 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.764 -9.677 -0.762 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.372 -8.265 0.860 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -4.306 -8.952 0.348 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.850 -10.466 -1.462 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -2.980 -8.998 0.769 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.537 -10.498 -1.029 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -2.119 -9.770 0.070 1.00 0.43 C ATOM 0 H TRP A 72 -7.828 -10.863 0.508 1.00 0.29 H new ATOM 0 HA TRP A 72 -8.515 -11.522 -2.300 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -6.550 -10.097 -2.873 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.873 -9.204 -2.150 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.466 -8.125 0.275 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.346 -7.650 1.674 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -4.161 -11.039 -2.323 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.649 -8.434 1.628 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.821 -11.106 -1.562 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -1.084 -9.819 0.376 1.00 0.43 H new ATOM 1396 N ALA A 73 -6.540 -13.092 -2.563 1.00 0.41 N ATOM 1397 CA ALA A 73 -5.549 -14.155 -2.595 1.00 0.50 C ATOM 1398 C ALA A 73 -4.236 -13.654 -3.186 1.00 0.48 C ATOM 1399 O ALA A 73 -4.233 -12.794 -4.061 1.00 0.42 O ATOM 1400 CB ALA A 73 -6.078 -15.331 -3.403 1.00 0.55 C ATOM 0 H ALA A 73 -7.051 -12.960 -3.436 1.00 0.41 H new ATOM 0 HA ALA A 73 -5.357 -14.482 -1.573 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -5.331 -16.124 -3.423 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -6.993 -15.706 -2.944 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -6.290 -15.006 -4.422 1.00 0.55 H new ATOM 1406 N LEU A 74 -3.124 -14.145 -2.653 1.00 0.60 N ATOM 1407 CA LEU A 74 -1.813 -13.898 -3.243 1.00 0.67 C ATOM 1408 C LEU A 74 -1.821 -14.219 -4.740 1.00 0.57 C ATOM 1409 O LEU A 74 -1.973 -15.376 -5.133 1.00 0.56 O ATOM 1410 CB LEU A 74 -0.773 -14.771 -2.537 1.00 0.95 C ATOM 1411 CG LEU A 74 0.603 -14.142 -2.299 1.00 0.68 C ATOM 1412 CD1 LEU A 74 1.196 -13.602 -3.590 1.00 1.28 C ATOM 1413 CD2 LEU A 74 0.519 -13.056 -1.238 1.00 1.71 C ATOM 0 H LEU A 74 -3.104 -14.719 -1.810 1.00 0.60 H new ATOM 0 HA LEU A 74 -1.564 -12.844 -3.119 1.00 0.67 H new ATOM 0 HB2 LEU A 74 -1.181 -15.074 -1.572 1.00 0.95 H new ATOM 0 HB3 LEU A 74 -0.636 -15.679 -3.124 1.00 0.95 H new ATOM 0 HG LEU A 74 1.271 -14.923 -1.935 1.00 0.68 H new ATOM 0 HD11 LEU A 74 2.172 -13.162 -3.386 1.00 1.28 H new ATOM 0 HD12 LEU A 74 1.307 -14.415 -4.308 1.00 1.28 H new ATOM 0 HD13 LEU A 74 0.535 -12.841 -4.004 1.00 1.28 H new ATOM 0 HD21 LEU A 74 1.507 -12.621 -1.083 1.00 1.71 H new ATOM 0 HD22 LEU A 74 -0.172 -12.279 -1.566 1.00 1.71 H new ATOM 0 HD23 LEU A 74 0.162 -13.488 -0.303 1.00 1.71 H new ATOM 1425 N GLY A 75 -1.647 -13.193 -5.559 1.00 0.58 N ATOM 1426 CA GLY A 75 -1.659 -13.370 -6.998 1.00 0.56 C ATOM 1427 C GLY A 75 -3.039 -13.176 -7.593 1.00 0.51 C ATOM 1428 O GLY A 75 -3.321 -13.651 -8.694 1.00 0.59 O ATOM 0 H GLY A 75 -1.496 -12.233 -5.250 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -0.967 -12.662 -7.454 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -1.299 -14.370 -7.241 1.00 0.56 H new ATOM 1432 N GLU A 76 -3.898 -12.468 -6.873 1.00 0.42 N ATOM 1433 CA GLU A 76 -5.279 -12.283 -7.294 1.00 0.40 C ATOM 1434 C GLU A 76 -5.539 -10.841 -7.715 1.00 0.36 C ATOM 1435 O GLU A 76 -5.244 -9.895 -6.979 1.00 0.47 O ATOM 1436 CB GLU A 76 -6.232 -12.700 -6.166 1.00 0.44 C ATOM 1437 CG GLU A 76 -7.708 -12.499 -6.469 1.00 0.92 C ATOM 1438 CD GLU A 76 -8.605 -13.127 -5.416 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -8.761 -12.541 -4.323 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -9.159 -14.214 -5.677 1.00 1.59 O ATOM 0 H GLU A 76 -3.662 -12.011 -5.992 1.00 0.42 H new ATOM 0 HA GLU A 76 -5.461 -12.917 -8.162 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -6.063 -13.752 -5.937 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -5.980 -12.134 -5.269 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -7.921 -11.432 -6.535 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -7.938 -12.930 -7.443 1.00 0.92 H new ATOM 1447 N GLU A 77 -6.042 -10.690 -8.930 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.510 -9.404 -9.425 1.00 0.43 C ATOM 1449 C GLU A 77 -7.990 -9.250 -9.091 1.00 0.44 C ATOM 1450 O GLU A 77 -8.828 -10.016 -9.570 1.00 0.54 O ATOM 1451 CB GLU A 77 -6.290 -9.317 -10.938 1.00 0.53 C ATOM 1452 CG GLU A 77 -6.795 -8.028 -11.567 1.00 0.74 C ATOM 1453 CD GLU A 77 -6.641 -8.024 -13.073 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -5.666 -7.433 -13.575 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -7.493 -8.618 -13.767 1.00 0.90 O ATOM 0 H GLU A 77 -6.137 -11.453 -9.600 1.00 0.39 H new ATOM 0 HA GLU A 77 -5.950 -8.599 -8.949 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -5.225 -9.417 -11.145 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -6.788 -10.161 -11.416 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -7.845 -7.889 -11.311 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -6.250 -7.183 -11.146 1.00 0.74 H new ATOM 1462 N PHE A 78 -8.302 -8.277 -8.255 1.00 0.39 N ATOM 1463 CA PHE A 78 -9.662 -8.075 -7.786 1.00 0.41 C ATOM 1464 C PHE A 78 -10.087 -6.628 -7.980 1.00 0.42 C ATOM 1465 O PHE A 78 -9.258 -5.728 -7.949 1.00 0.42 O ATOM 1466 CB PHE A 78 -9.767 -8.461 -6.305 1.00 0.44 C ATOM 1467 CG PHE A 78 -8.776 -7.758 -5.416 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -7.523 -8.303 -5.185 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -9.099 -6.552 -4.815 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -6.614 -7.661 -4.369 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -8.193 -5.904 -3.999 1.00 0.57 C ATOM 1472 CZ PHE A 78 -6.947 -6.461 -3.776 1.00 0.52 C ATOM 0 H PHE A 78 -7.627 -7.609 -7.884 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.328 -8.710 -8.369 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -10.775 -8.240 -5.953 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -9.625 -9.537 -6.210 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -7.255 -9.241 -5.649 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -10.071 -6.114 -4.987 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -5.642 -8.098 -4.195 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -8.457 -4.965 -3.536 1.00 0.57 H new ATOM 0 HZ PHE A 78 -6.236 -5.957 -3.138 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.373 -6.413 -8.190 1.00 0.46 N ATOM 1483 CA GLN A 79 -11.899 -5.066 -8.308 1.00 0.51 C ATOM 1484 C GLN A 79 -12.201 -4.514 -6.924 1.00 0.50 C ATOM 1485 O GLN A 79 -12.670 -5.244 -6.046 1.00 0.54 O ATOM 1486 CB GLN A 79 -13.156 -5.043 -9.181 1.00 0.62 C ATOM 1487 CG GLN A 79 -13.684 -3.639 -9.444 1.00 1.00 C ATOM 1488 CD GLN A 79 -14.918 -3.622 -10.322 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -15.765 -2.739 -10.195 1.00 1.95 O ATOM 1490 NE2 GLN A 79 -15.025 -4.583 -11.225 1.00 1.94 N ATOM 0 H GLN A 79 -12.070 -7.152 -8.282 1.00 0.46 H new ATOM 0 HA GLN A 79 -11.149 -4.438 -8.789 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -12.937 -5.525 -10.134 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -13.936 -5.632 -8.698 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -13.916 -3.161 -8.492 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -12.901 -3.046 -9.917 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -14.300 -5.297 -11.298 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -15.832 -4.610 -11.848 1.00 1.94 H new ATOM 1499 N ASP A 80 -11.950 -3.232 -6.739 1.00 0.49 N ATOM 1500 CA ASP A 80 -12.083 -2.603 -5.434 1.00 0.49 C ATOM 1501 C ASP A 80 -12.095 -1.092 -5.603 1.00 0.52 C ATOM 1502 O ASP A 80 -11.832 -0.587 -6.698 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.914 -3.019 -4.532 1.00 0.63 C ATOM 1504 CG ASP A 80 -11.128 -2.655 -3.077 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -12.296 -2.561 -2.647 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -10.131 -2.483 -2.353 1.00 1.26 O ATOM 0 H ASP A 80 -11.650 -2.599 -7.481 1.00 0.49 H new ATOM 0 HA ASP A 80 -13.016 -2.923 -4.970 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -10.766 -4.096 -4.613 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -10.000 -2.544 -4.889 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.389 -0.375 -4.531 1.00 0.53 N ATOM 1512 CA GLU A 81 -12.323 1.070 -4.559 1.00 0.65 C ATOM 1513 C GLU A 81 -11.018 1.500 -3.947 1.00 0.63 C ATOM 1514 O GLU A 81 -10.784 1.310 -2.754 1.00 0.82 O ATOM 1515 CB GLU A 81 -13.478 1.725 -3.808 1.00 0.81 C ATOM 1516 CG GLU A 81 -13.390 3.245 -3.822 1.00 1.64 C ATOM 1517 CD GLU A 81 -14.451 3.908 -2.977 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -15.653 3.748 -3.287 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -14.090 4.588 -1.994 1.00 1.81 O ATOM 0 H GLU A 81 -12.674 -0.771 -3.636 1.00 0.53 H new ATOM 0 HA GLU A 81 -12.396 1.391 -5.598 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -14.422 1.414 -4.256 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -13.483 1.373 -2.776 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -12.406 3.549 -3.464 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -13.479 3.599 -4.849 1.00 1.64 H new ATOM 1526 N ALA A 82 -10.162 2.037 -4.778 1.00 0.61 N ATOM 1527 CA ALA A 82 -8.844 2.425 -4.342 1.00 0.67 C ATOM 1528 C ALA A 82 -8.810 3.865 -3.857 1.00 0.60 C ATOM 1529 O ALA A 82 -9.841 4.537 -3.825 1.00 0.59 O ATOM 1530 CB ALA A 82 -7.859 2.200 -5.459 1.00 0.95 C ATOM 0 H ALA A 82 -10.354 2.216 -5.764 1.00 0.61 H new ATOM 0 HA ALA A 82 -8.565 1.804 -3.491 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -6.862 2.493 -5.130 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -7.855 1.145 -5.733 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -8.146 2.799 -6.323 1.00 0.95 H new ATOM 1536 N LEU A 83 -7.630 4.328 -3.458 1.00 0.60 N ATOM 1537 CA LEU A 83 -7.471 5.677 -2.928 1.00 0.58 C ATOM 1538 C LEU A 83 -7.980 6.708 -3.931 1.00 0.59 C ATOM 1539 O LEU A 83 -8.505 7.756 -3.552 1.00 0.62 O ATOM 1540 CB LEU A 83 -6.003 5.966 -2.571 1.00 0.66 C ATOM 1541 CG LEU A 83 -5.395 5.141 -1.420 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -6.310 5.145 -0.203 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -5.079 3.716 -1.859 1.00 1.34 C ATOM 0 H LEU A 83 -6.767 3.786 -3.492 1.00 0.60 H new ATOM 0 HA LEU A 83 -8.063 5.748 -2.016 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -5.398 5.803 -3.463 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -5.917 7.022 -2.315 1.00 0.66 H new ATOM 0 HG LEU A 83 -4.454 5.615 -1.139 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -5.857 4.556 0.594 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -6.455 6.169 0.140 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -7.274 4.713 -0.471 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -4.652 3.164 -1.022 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -5.995 3.225 -2.188 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -4.364 3.739 -2.681 1.00 1.34 H new ATOM 1555 N ASP A 84 -7.873 6.373 -5.212 1.00 0.60 N ATOM 1556 CA ASP A 84 -8.298 7.268 -6.285 1.00 0.67 C ATOM 1557 C ASP A 84 -9.821 7.254 -6.445 1.00 0.69 C ATOM 1558 O ASP A 84 -10.361 7.780 -7.418 1.00 0.78 O ATOM 1559 CB ASP A 84 -7.585 6.927 -7.606 1.00 0.70 C ATOM 1560 CG ASP A 84 -7.802 5.501 -8.081 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -7.650 4.564 -7.270 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -8.084 5.307 -9.280 1.00 1.39 O ATOM 0 H ASP A 84 -7.493 5.483 -5.535 1.00 0.60 H new ATOM 0 HA ASP A 84 -8.009 8.283 -6.011 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -7.931 7.612 -8.380 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -6.516 7.098 -7.483 1.00 0.70 H new ATOM 1567 N SER A 85 -10.492 6.647 -5.466 1.00 0.67 N ATOM 1568 CA SER A 85 -11.940 6.765 -5.277 1.00 0.74 C ATOM 1569 C SER A 85 -12.762 6.151 -6.410 1.00 0.77 C ATOM 1570 O SER A 85 -13.960 6.410 -6.521 1.00 1.09 O ATOM 1571 CB SER A 85 -12.314 8.234 -5.086 1.00 0.84 C ATOM 1572 OG SER A 85 -11.522 8.827 -4.068 1.00 1.21 O ATOM 0 H SER A 85 -10.040 6.051 -4.772 1.00 0.67 H new ATOM 0 HA SER A 85 -12.187 6.191 -4.384 1.00 0.74 H new ATOM 0 HB2 SER A 85 -12.175 8.774 -6.022 1.00 0.84 H new ATOM 0 HB3 SER A 85 -13.369 8.314 -4.825 1.00 0.84 H new ATOM 0 HG SER A 85 -11.776 9.768 -3.962 1.00 1.21 H new ATOM 1578 N THR A 86 -12.141 5.336 -7.240 1.00 0.67 N ATOM 1579 CA THR A 86 -12.871 4.645 -8.285 1.00 0.67 C ATOM 1580 C THR A 86 -12.879 3.149 -8.027 1.00 0.66 C ATOM 1581 O THR A 86 -12.108 2.645 -7.200 1.00 0.76 O ATOM 1582 CB THR A 86 -12.277 4.928 -9.674 1.00 0.76 C ATOM 1583 OG1 THR A 86 -10.851 4.819 -9.628 1.00 0.86 O ATOM 1584 CG2 THR A 86 -12.678 6.311 -10.167 1.00 0.93 C ATOM 0 H THR A 86 -11.141 5.137 -7.212 1.00 0.67 H new ATOM 0 HA THR A 86 -13.894 5.021 -8.270 1.00 0.67 H new ATOM 0 HB THR A 86 -12.672 4.189 -10.371 1.00 0.76 H new ATOM 0 HG1 THR A 86 -10.480 4.999 -10.517 1.00 0.86 H new ATOM 0 HG21 THR A 86 -12.245 6.486 -11.152 1.00 0.93 H new ATOM 0 HG22 THR A 86 -13.764 6.373 -10.232 1.00 0.93 H new ATOM 0 HG23 THR A 86 -12.313 7.066 -9.470 1.00 0.93 H new ATOM 1592 N GLN A 87 -13.740 2.436 -8.743 1.00 0.68 N ATOM 1593 CA GLN A 87 -13.876 1.003 -8.572 1.00 0.76 C ATOM 1594 C GLN A 87 -13.149 0.331 -9.713 1.00 0.66 C ATOM 1595 O GLN A 87 -13.691 0.218 -10.807 1.00 0.89 O ATOM 1596 CB GLN A 87 -15.344 0.567 -8.626 1.00 1.02 C ATOM 1597 CG GLN A 87 -16.342 1.574 -8.081 1.00 0.98 C ATOM 1598 CD GLN A 87 -16.276 1.738 -6.575 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -16.901 0.981 -5.832 1.00 1.88 O ATOM 1600 NE2 GLN A 87 -15.547 2.738 -6.115 1.00 1.33 N ATOM 0 H GLN A 87 -14.356 2.835 -9.451 1.00 0.68 H new ATOM 0 HA GLN A 87 -13.467 0.726 -7.601 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -15.603 0.348 -9.662 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -15.450 -0.363 -8.068 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -16.164 2.541 -8.552 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -17.349 1.264 -8.361 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -15.044 3.343 -6.764 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -15.487 2.906 -5.111 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.938 -0.120 -9.475 1.00 0.54 N ATOM 1610 CA HIS A 88 -11.123 -0.641 -10.555 1.00 0.53 C ATOM 1611 C HIS A 88 -10.387 -1.890 -10.121 1.00 0.49 C ATOM 1612 O HIS A 88 -10.401 -2.248 -8.945 1.00 0.51 O ATOM 1613 CB HIS A 88 -10.141 0.407 -11.074 1.00 0.63 C ATOM 1614 CG HIS A 88 -9.283 1.040 -10.032 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -8.178 0.426 -9.488 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -9.366 2.254 -9.448 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -7.622 1.239 -8.614 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -8.322 2.356 -8.574 1.00 0.97 N ATOM 0 H HIS A 88 -11.497 -0.138 -8.555 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.794 -0.902 -11.373 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -9.497 -0.059 -11.819 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -10.704 1.189 -11.584 1.00 0.63 H new ATOM 0 HD2 HIS A 88 -10.119 3.005 -9.637 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -6.740 1.027 -8.028 1.00 0.73 H new ATOM 0 HE2 HIS A 88 -8.117 3.164 -7.986 1.00 0.97 H new ATOM 1627 N LYS A 89 -9.740 -2.540 -11.073 1.00 0.49 N ATOM 1628 CA LYS A 89 -9.022 -3.767 -10.798 1.00 0.49 C ATOM 1629 C LYS A 89 -7.738 -3.469 -10.040 1.00 0.45 C ATOM 1630 O LYS A 89 -7.153 -2.393 -10.178 1.00 0.50 O ATOM 1631 CB LYS A 89 -8.705 -4.515 -12.093 1.00 0.61 C ATOM 1632 CG LYS A 89 -9.931 -5.015 -12.840 1.00 1.06 C ATOM 1633 CD LYS A 89 -9.560 -6.071 -13.873 1.00 1.08 C ATOM 1634 CE LYS A 89 -8.510 -5.571 -14.857 1.00 1.15 C ATOM 1635 NZ LYS A 89 -7.998 -6.670 -15.720 1.00 1.49 N ATOM 0 H LYS A 89 -9.699 -2.235 -12.046 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.659 -4.401 -10.181 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -8.137 -3.857 -12.750 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -8.063 -5.365 -11.861 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -10.646 -5.433 -12.131 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -10.424 -4.178 -13.334 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -9.184 -6.959 -13.364 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -10.454 -6.371 -14.420 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -8.940 -4.788 -15.482 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -7.682 -5.123 -14.309 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -7.050 -6.423 -16.070 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -7.945 -7.549 -15.167 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -8.641 -6.806 -16.526 1.00 1.49 H new ATOM 1649 N ILE A 90 -7.336 -4.412 -9.215 1.00 0.38 N ATOM 1650 CA ILE A 90 -6.131 -4.303 -8.419 1.00 0.35 C ATOM 1651 C ILE A 90 -5.505 -5.676 -8.243 1.00 0.34 C ATOM 1652 O ILE A 90 -6.182 -6.627 -7.859 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.430 -3.696 -7.032 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -6.760 -2.208 -7.166 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -5.253 -3.908 -6.096 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -7.241 -1.569 -5.890 1.00 0.54 C ATOM 0 H ILE A 90 -7.842 -5.286 -9.076 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.440 -3.643 -8.943 1.00 0.35 H new ATOM 0 HB ILE A 90 -7.297 -4.202 -6.606 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -5.872 -1.679 -7.512 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -7.524 -2.084 -7.933 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.480 -3.474 -5.122 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -5.066 -4.976 -5.983 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.367 -3.426 -6.510 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -7.453 -0.515 -6.069 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -8.148 -2.070 -5.552 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -6.470 -1.659 -5.125 1.00 0.54 H new ATOM 1668 N THR A 91 -4.229 -5.784 -8.540 1.00 0.30 N ATOM 1669 CA THR A 91 -3.531 -7.041 -8.390 1.00 0.30 C ATOM 1670 C THR A 91 -2.613 -7.009 -7.176 1.00 0.28 C ATOM 1671 O THR A 91 -1.837 -6.070 -6.995 1.00 0.31 O ATOM 1672 CB THR A 91 -2.711 -7.367 -9.645 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.545 -7.254 -10.803 1.00 0.43 O ATOM 1674 CG2 THR A 91 -2.127 -8.771 -9.567 1.00 0.37 C ATOM 0 H THR A 91 -3.654 -5.016 -8.887 1.00 0.30 H new ATOM 0 HA THR A 91 -4.282 -7.818 -8.247 1.00 0.30 H new ATOM 0 HB THR A 91 -1.886 -6.658 -9.713 1.00 0.33 H new ATOM 0 HG1 THR A 91 -3.021 -7.461 -11.605 1.00 0.43 H new ATOM 0 HG21 THR A 91 -1.551 -8.976 -10.469 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.476 -8.847 -8.696 1.00 0.37 H new ATOM 0 HG23 THR A 91 -2.935 -9.497 -9.480 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.726 -8.035 -6.352 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.838 -8.218 -5.219 1.00 0.33 C ATOM 1684 C PHE A 92 -0.987 -9.446 -5.460 1.00 0.39 C ATOM 1685 O PHE A 92 -1.522 -10.527 -5.689 1.00 0.50 O ATOM 1686 CB PHE A 92 -2.630 -8.390 -3.926 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.662 -7.165 -3.062 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.561 -6.144 -3.322 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.793 -7.026 -1.996 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -3.594 -5.009 -2.537 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -1.822 -5.897 -1.207 1.00 0.46 C ATOM 1692 CZ PHE A 92 -2.720 -4.908 -1.446 1.00 0.52 C ATOM 0 H PHE A 92 -3.434 -8.763 -6.449 1.00 0.30 H new ATOM 0 HA PHE A 92 -1.208 -7.334 -5.116 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -3.653 -8.674 -4.174 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -2.200 -9.213 -3.355 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -4.246 -6.237 -4.151 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -1.084 -7.811 -1.779 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -4.284 -4.209 -2.761 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -1.123 -5.798 -0.390 1.00 0.46 H new ATOM 0 HZ PHE A 92 -2.761 -4.045 -0.797 1.00 0.52 H new ATOM 1702 N ASP A 93 0.324 -9.291 -5.406 1.00 0.37 N ATOM 1703 CA ASP A 93 1.224 -10.400 -5.687 1.00 0.43 C ATOM 1704 C ASP A 93 2.618 -10.086 -5.167 1.00 0.36 C ATOM 1705 O ASP A 93 2.927 -8.942 -4.845 1.00 0.39 O ATOM 1706 CB ASP A 93 1.266 -10.714 -7.192 1.00 0.58 C ATOM 1707 CG ASP A 93 2.084 -9.725 -8.007 1.00 0.80 C ATOM 1708 OD1 ASP A 93 1.732 -8.527 -8.038 1.00 1.69 O ATOM 1709 OD2 ASP A 93 3.064 -10.161 -8.653 1.00 1.24 O ATOM 0 H ASP A 93 0.789 -8.414 -5.172 1.00 0.37 H new ATOM 0 HA ASP A 93 0.847 -11.285 -5.174 1.00 0.43 H new ATOM 0 HB2 ASP A 93 1.678 -11.713 -7.333 1.00 0.58 H new ATOM 0 HB3 ASP A 93 0.247 -10.732 -7.578 1.00 0.58 H new ATOM 1714 N LEU A 94 3.445 -11.110 -5.064 1.00 0.42 N ATOM 1715 CA LEU A 94 4.808 -10.951 -4.586 1.00 0.51 C ATOM 1716 C LEU A 94 5.760 -10.940 -5.765 1.00 0.56 C ATOM 1717 O LEU A 94 5.959 -11.962 -6.423 1.00 0.63 O ATOM 1718 CB LEU A 94 5.176 -12.082 -3.617 1.00 0.61 C ATOM 1719 CG LEU A 94 5.023 -11.765 -2.122 1.00 0.64 C ATOM 1720 CD1 LEU A 94 6.135 -10.848 -1.647 1.00 1.02 C ATOM 1721 CD2 LEU A 94 3.674 -11.129 -1.843 1.00 1.12 C ATOM 0 H LEU A 94 3.195 -12.069 -5.307 1.00 0.42 H new ATOM 0 HA LEU A 94 4.887 -10.005 -4.050 1.00 0.51 H new ATOM 0 HB2 LEU A 94 4.557 -12.948 -3.849 1.00 0.61 H new ATOM 0 HB3 LEU A 94 6.211 -12.370 -3.803 1.00 0.61 H new ATOM 0 HG LEU A 94 5.088 -12.705 -1.574 1.00 0.64 H new ATOM 0 HD11 LEU A 94 6.005 -10.638 -0.585 1.00 1.02 H new ATOM 0 HD12 LEU A 94 7.099 -11.332 -1.806 1.00 1.02 H new ATOM 0 HD13 LEU A 94 6.101 -9.914 -2.208 1.00 1.02 H new ATOM 0 HD21 LEU A 94 3.587 -10.913 -0.778 1.00 1.12 H new ATOM 0 HD22 LEU A 94 3.584 -10.202 -2.410 1.00 1.12 H new ATOM 0 HD23 LEU A 94 2.880 -11.814 -2.140 1.00 1.12 H new ATOM 1733 N LYS A 95 6.352 -9.788 -6.023 1.00 0.58 N ATOM 1734 CA LYS A 95 7.217 -9.626 -7.181 1.00 0.66 C ATOM 1735 C LYS A 95 8.559 -10.263 -6.874 1.00 0.69 C ATOM 1736 O LYS A 95 9.154 -10.950 -7.707 1.00 0.78 O ATOM 1737 CB LYS A 95 7.395 -8.143 -7.513 1.00 0.70 C ATOM 1738 CG LYS A 95 7.925 -7.891 -8.916 1.00 0.91 C ATOM 1739 CD LYS A 95 6.911 -8.310 -9.967 1.00 1.61 C ATOM 1740 CE LYS A 95 7.426 -8.067 -11.374 1.00 2.08 C ATOM 1741 NZ LYS A 95 6.420 -8.438 -12.406 1.00 3.03 N ATOM 0 H LYS A 95 6.251 -8.951 -5.448 1.00 0.58 H new ATOM 0 HA LYS A 95 6.767 -10.111 -8.047 1.00 0.66 H new ATOM 0 HB2 LYS A 95 6.436 -7.637 -7.400 1.00 0.70 H new ATOM 0 HB3 LYS A 95 8.078 -7.697 -6.790 1.00 0.70 H new ATOM 0 HG2 LYS A 95 8.160 -6.833 -9.035 1.00 0.91 H new ATOM 0 HG3 LYS A 95 8.854 -8.443 -9.062 1.00 0.91 H new ATOM 0 HD2 LYS A 95 6.675 -9.367 -9.844 1.00 1.61 H new ATOM 0 HD3 LYS A 95 5.984 -7.757 -9.819 1.00 1.61 H new ATOM 0 HE2 LYS A 95 7.691 -7.016 -11.487 1.00 2.08 H new ATOM 0 HE3 LYS A 95 8.337 -8.644 -11.532 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 6.811 -8.257 -13.353 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 6.186 -9.447 -12.315 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 5.560 -7.869 -12.272 1.00 3.03 H new ATOM 1755 N ASP A 96 9.004 -10.040 -5.649 1.00 0.65 N ATOM 1756 CA ASP A 96 10.204 -10.664 -5.117 1.00 0.70 C ATOM 1757 C ASP A 96 9.887 -11.162 -3.720 1.00 0.65 C ATOM 1758 O ASP A 96 8.910 -10.724 -3.118 1.00 0.60 O ATOM 1759 CB ASP A 96 11.376 -9.673 -5.049 1.00 0.76 C ATOM 1760 CG ASP A 96 11.830 -9.176 -6.403 1.00 1.09 C ATOM 1761 OD1 ASP A 96 11.516 -8.015 -6.753 1.00 1.03 O ATOM 1762 OD2 ASP A 96 12.475 -9.950 -7.136 1.00 1.79 O ATOM 0 H ASP A 96 8.539 -9.416 -4.990 1.00 0.65 H new ATOM 0 HA ASP A 96 10.502 -11.481 -5.774 1.00 0.70 H new ATOM 0 HB2 ASP A 96 11.084 -8.819 -4.438 1.00 0.76 H new ATOM 0 HB3 ASP A 96 12.217 -10.152 -4.547 1.00 0.76 H new ATOM 1767 N PRO A 97 10.704 -12.070 -3.173 1.00 0.73 N ATOM 1768 CA PRO A 97 10.485 -12.644 -1.838 1.00 0.76 C ATOM 1769 C PRO A 97 10.691 -11.621 -0.720 1.00 0.66 C ATOM 1770 O PRO A 97 10.662 -11.964 0.461 1.00 0.73 O ATOM 1771 CB PRO A 97 11.532 -13.764 -1.750 1.00 0.91 C ATOM 1772 CG PRO A 97 11.994 -13.975 -3.152 1.00 0.98 C ATOM 1773 CD PRO A 97 11.900 -12.632 -3.805 1.00 0.87 C ATOM 0 HA PRO A 97 9.461 -12.994 -1.711 1.00 0.76 H new ATOM 0 HB2 PRO A 97 12.360 -13.479 -1.101 1.00 0.91 H new ATOM 0 HB3 PRO A 97 11.101 -14.675 -1.336 1.00 0.91 H new ATOM 0 HG2 PRO A 97 13.016 -14.354 -3.177 1.00 0.98 H new ATOM 0 HG3 PRO A 97 11.370 -14.707 -3.666 1.00 0.98 H new ATOM 0 HD2 PRO A 97 12.785 -12.024 -3.617 1.00 0.87 H new ATOM 0 HD3 PRO A 97 11.791 -12.711 -4.887 1.00 0.87 H new ATOM 1781 N ASN A 98 10.916 -10.370 -1.106 1.00 0.57 N ATOM 1782 CA ASN A 98 11.044 -9.273 -0.158 1.00 0.55 C ATOM 1783 C ASN A 98 10.269 -8.053 -0.644 1.00 0.46 C ATOM 1784 O ASN A 98 10.442 -6.950 -0.121 1.00 0.50 O ATOM 1785 CB ASN A 98 12.516 -8.891 0.053 1.00 0.68 C ATOM 1786 CG ASN A 98 13.301 -9.953 0.798 1.00 1.38 C ATOM 1787 OD1 ASN A 98 13.902 -10.841 0.192 1.00 2.32 O ATOM 1788 ND2 ASN A 98 13.306 -9.865 2.117 1.00 1.91 N ATOM 0 H ASN A 98 11.014 -10.090 -2.082 1.00 0.57 H new ATOM 0 HA ASN A 98 10.630 -9.610 0.792 1.00 0.55 H new ATOM 0 HB2 ASN A 98 12.983 -8.715 -0.916 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.567 -7.954 0.607 1.00 0.68 H new ATOM 0 HD21 ASN A 98 13.821 -10.549 2.672 1.00 1.91 H new ATOM 0 HD22 ASN A 98 12.795 -9.113 2.580 1.00 1.91 H new ATOM 1795 N THR A 99 9.411 -8.247 -1.641 1.00 0.43 N ATOM 1796 CA THR A 99 8.671 -7.139 -2.228 1.00 0.39 C ATOM 1797 C THR A 99 7.265 -7.559 -2.658 1.00 0.33 C ATOM 1798 O THR A 99 7.094 -8.348 -3.591 1.00 0.37 O ATOM 1799 CB THR A 99 9.413 -6.556 -3.447 1.00 0.48 C ATOM 1800 OG1 THR A 99 10.767 -6.239 -3.100 1.00 0.56 O ATOM 1801 CG2 THR A 99 8.714 -5.304 -3.957 1.00 0.51 C ATOM 0 H THR A 99 9.213 -9.157 -2.057 1.00 0.43 H new ATOM 0 HA THR A 99 8.590 -6.377 -1.453 1.00 0.39 H new ATOM 0 HB THR A 99 9.408 -7.308 -4.236 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.228 -5.871 -3.883 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.255 -4.910 -4.817 1.00 0.51 H new ATOM 0 HG22 THR A 99 7.694 -5.551 -4.252 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.691 -4.553 -3.168 1.00 0.51 H new ATOM 1809 N LEU A 100 6.270 -7.018 -1.970 1.00 0.28 N ATOM 1810 CA LEU A 100 4.868 -7.234 -2.308 1.00 0.26 C ATOM 1811 C LEU A 100 4.435 -6.113 -3.251 1.00 0.27 C ATOM 1812 O LEU A 100 4.755 -4.958 -3.005 1.00 0.34 O ATOM 1813 CB LEU A 100 4.043 -7.200 -1.009 1.00 0.28 C ATOM 1814 CG LEU A 100 2.656 -7.864 -1.022 1.00 0.45 C ATOM 1815 CD1 LEU A 100 2.011 -7.721 0.346 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.746 -7.270 -2.085 1.00 1.10 C ATOM 0 H LEU A 100 6.411 -6.415 -1.159 1.00 0.28 H new ATOM 0 HA LEU A 100 4.717 -8.197 -2.796 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.634 -7.674 -0.225 1.00 0.28 H new ATOM 0 HB3 LEU A 100 3.912 -6.156 -0.723 1.00 0.28 H new ATOM 0 HG LEU A 100 2.795 -8.918 -1.263 1.00 0.45 H new ATOM 0 HD11 LEU A 100 1.028 -8.192 0.336 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.637 -8.204 1.096 1.00 1.10 H new ATOM 0 HD13 LEU A 100 1.904 -6.664 0.589 1.00 1.10 H new ATOM 0 HD21 LEU A 100 0.778 -7.770 -2.056 1.00 1.10 H new ATOM 0 HD22 LEU A 100 1.610 -6.205 -1.894 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.197 -7.408 -3.068 1.00 1.10 H new ATOM 1828 N THR A 101 3.731 -6.422 -4.327 1.00 0.29 N ATOM 1829 CA THR A 101 3.309 -5.385 -5.251 1.00 0.31 C ATOM 1830 C THR A 101 1.790 -5.270 -5.327 1.00 0.30 C ATOM 1831 O THR A 101 1.080 -6.271 -5.447 1.00 0.31 O ATOM 1832 CB THR A 101 3.888 -5.624 -6.659 1.00 0.36 C ATOM 1833 OG1 THR A 101 3.810 -7.015 -7.009 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.331 -5.163 -6.728 1.00 0.41 C ATOM 0 H THR A 101 3.444 -7.368 -4.579 1.00 0.29 H new ATOM 0 HA THR A 101 3.699 -4.444 -4.864 1.00 0.31 H new ATOM 0 HB THR A 101 3.296 -5.046 -7.368 1.00 0.36 H new ATOM 0 HG1 THR A 101 2.908 -7.221 -7.332 1.00 0.36 H new ATOM 0 HG21 THR A 101 5.722 -5.340 -7.730 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.384 -4.098 -6.501 1.00 0.41 H new ATOM 0 HG23 THR A 101 5.926 -5.719 -6.003 1.00 0.41 H new ATOM 1842 N GLU A 102 1.309 -4.039 -5.227 1.00 0.31 N ATOM 1843 CA GLU A 102 -0.103 -3.735 -5.395 1.00 0.33 C ATOM 1844 C GLU A 102 -0.289 -2.911 -6.665 1.00 0.35 C ATOM 1845 O GLU A 102 0.050 -1.726 -6.700 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.641 -2.954 -4.189 1.00 0.39 C ATOM 1847 CG GLU A 102 -2.111 -2.583 -4.322 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.577 -1.574 -3.288 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -3.307 -1.968 -2.361 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -2.153 -0.406 -3.352 1.00 0.98 O ATOM 0 H GLU A 102 1.888 -3.223 -5.027 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.658 -4.670 -5.472 1.00 0.33 H new ATOM 0 HB2 GLU A 102 -0.504 -3.551 -3.287 1.00 0.39 H new ATOM 0 HB3 GLU A 102 -0.054 -2.045 -4.062 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -2.286 -2.178 -5.318 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.715 -3.486 -4.235 1.00 0.56 H new ATOM 1857 N THR A 103 -0.805 -3.533 -7.708 1.00 0.36 N ATOM 1858 CA THR A 103 -0.971 -2.854 -8.981 1.00 0.39 C ATOM 1859 C THR A 103 -2.423 -2.427 -9.182 1.00 0.39 C ATOM 1860 O THR A 103 -3.320 -3.265 -9.266 1.00 0.42 O ATOM 1861 CB THR A 103 -0.536 -3.756 -10.152 1.00 0.43 C ATOM 1862 OG1 THR A 103 0.782 -4.265 -9.908 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.554 -2.986 -11.466 1.00 0.46 C ATOM 0 H THR A 103 -1.116 -4.504 -7.700 1.00 0.36 H new ATOM 0 HA THR A 103 -0.336 -1.968 -8.964 1.00 0.39 H new ATOM 0 HB THR A 103 -1.240 -4.585 -10.228 1.00 0.43 H new ATOM 0 HG1 THR A 103 1.054 -4.839 -10.654 1.00 0.51 H new ATOM 0 HG21 THR A 103 -0.243 -3.644 -12.278 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.563 -2.622 -11.660 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.131 -2.141 -11.402 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.649 -1.124 -9.244 1.00 0.40 N ATOM 1872 CA HIS A 104 -3.984 -0.597 -9.478 1.00 0.45 C ATOM 1873 C HIS A 104 -4.229 -0.436 -10.971 1.00 0.40 C ATOM 1874 O HIS A 104 -3.573 0.374 -11.625 1.00 0.48 O ATOM 1875 CB HIS A 104 -4.181 0.768 -8.804 1.00 0.70 C ATOM 1876 CG HIS A 104 -4.145 0.764 -7.309 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -4.491 1.864 -6.559 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -3.813 -0.200 -6.425 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -4.377 1.573 -5.278 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -3.964 0.327 -5.163 1.00 1.69 N ATOM 0 H HIS A 104 -1.926 -0.413 -9.136 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.690 -1.308 -9.050 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -3.408 1.446 -9.166 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -5.139 1.176 -9.125 1.00 0.70 H new ATOM 0 HD1 HIS A 104 -4.789 2.764 -6.935 1.00 1.17 H new ATOM 0 HD2 HIS A 104 -3.488 -1.202 -6.664 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -4.587 2.245 -4.459 1.00 1.60 H new ATOM 1889 N ILE A 105 -5.162 -1.208 -11.507 1.00 0.45 N ATOM 1890 CA ILE A 105 -5.551 -1.069 -12.898 1.00 0.52 C ATOM 1891 C ILE A 105 -6.932 -0.453 -13.005 1.00 0.54 C ATOM 1892 O ILE A 105 -7.944 -1.102 -12.736 1.00 0.55 O ATOM 1893 CB ILE A 105 -5.554 -2.407 -13.649 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -4.163 -3.032 -13.605 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -6.022 -2.203 -15.091 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -3.999 -4.175 -14.566 1.00 0.75 C ATOM 0 H ILE A 105 -5.663 -1.937 -10.998 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.806 -0.420 -13.359 1.00 0.52 H new ATOM 0 HB ILE A 105 -6.251 -3.090 -13.163 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -3.420 -2.267 -13.830 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -3.961 -3.384 -12.593 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -6.020 -3.160 -15.613 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -7.032 -1.792 -15.091 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -5.349 -1.512 -15.598 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -2.988 -4.576 -14.486 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -4.720 -4.957 -14.327 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -4.170 -3.823 -15.583 1.00 0.75 H new ATOM 1908 N LYS A 106 -6.954 0.810 -13.362 1.00 0.59 N ATOM 1909 CA LYS A 106 -8.200 1.527 -13.582 1.00 0.63 C ATOM 1910 C LYS A 106 -9.021 0.856 -14.676 1.00 0.67 C ATOM 1911 O LYS A 106 -8.578 0.716 -15.809 1.00 0.70 O ATOM 1912 CB LYS A 106 -7.908 2.986 -13.948 1.00 0.73 C ATOM 1913 CG LYS A 106 -7.215 3.772 -12.843 1.00 0.81 C ATOM 1914 CD LYS A 106 -6.695 5.105 -13.362 1.00 1.05 C ATOM 1915 CE LYS A 106 -6.024 5.928 -12.268 1.00 1.47 C ATOM 1916 NZ LYS A 106 -7.006 6.562 -11.343 1.00 1.61 N ATOM 0 H LYS A 106 -6.116 1.372 -13.509 1.00 0.59 H new ATOM 0 HA LYS A 106 -8.782 1.506 -12.660 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -7.285 3.008 -14.842 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -8.845 3.482 -14.200 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -7.912 3.944 -12.023 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -6.388 3.187 -12.440 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -5.983 4.926 -14.168 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -7.521 5.674 -13.787 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -5.353 5.287 -11.696 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -5.410 6.703 -12.727 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -6.634 7.476 -11.015 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -7.906 6.713 -11.842 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -7.164 5.939 -10.525 1.00 1.61 H new ATOM 1930 N VAL A 107 -10.212 0.414 -14.299 1.00 0.70 N ATOM 1931 CA VAL A 107 -11.132 -0.223 -15.231 1.00 0.78 C ATOM 1932 C VAL A 107 -11.557 0.749 -16.324 1.00 0.86 C ATOM 1933 O VAL A 107 -11.976 0.346 -17.411 1.00 0.92 O ATOM 1934 CB VAL A 107 -12.375 -0.764 -14.526 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -12.033 -1.989 -13.696 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -12.968 0.320 -13.671 1.00 1.11 C ATOM 0 H VAL A 107 -10.566 0.486 -13.345 1.00 0.70 H new ATOM 0 HA VAL A 107 -10.597 -1.061 -15.677 1.00 0.78 H new ATOM 0 HB VAL A 107 -13.109 -1.070 -15.271 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -12.933 -2.357 -13.203 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -11.630 -2.767 -14.344 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -11.290 -1.723 -12.944 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -13.856 -0.060 -13.165 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -12.236 0.639 -12.929 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -13.243 1.168 -14.298 1.00 1.11 H new ATOM 1946 N ASP A 108 -11.448 2.034 -16.017 1.00 0.89 N ATOM 1947 CA ASP A 108 -11.779 3.084 -16.965 1.00 1.00 C ATOM 1948 C ASP A 108 -10.628 3.299 -17.938 1.00 0.97 C ATOM 1949 O ASP A 108 -10.833 3.394 -19.149 1.00 1.06 O ATOM 1950 CB ASP A 108 -12.085 4.382 -16.222 1.00 1.05 C ATOM 1951 CG ASP A 108 -12.449 5.517 -17.158 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -11.551 6.311 -17.507 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -13.628 5.604 -17.561 1.00 2.50 O ATOM 0 H ASP A 108 -11.130 2.375 -15.110 1.00 0.89 H new ATOM 0 HA ASP A 108 -12.662 2.781 -17.528 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -12.906 4.213 -15.525 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -11.217 4.670 -15.628 1.00 1.05 H new ATOM 1958 N ASP A 109 -9.419 3.356 -17.400 1.00 0.91 N ATOM 1959 CA ASP A 109 -8.223 3.544 -18.209 1.00 0.92 C ATOM 1960 C ASP A 109 -7.098 2.672 -17.674 1.00 0.84 C ATOM 1961 O ASP A 109 -6.336 3.075 -16.795 1.00 0.85 O ATOM 1962 CB ASP A 109 -7.799 5.014 -18.212 1.00 1.03 C ATOM 1963 CG ASP A 109 -6.714 5.308 -19.227 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -5.549 4.915 -18.984 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -7.011 5.937 -20.266 1.00 1.94 O ATOM 0 H ASP A 109 -9.239 3.274 -16.399 1.00 0.91 H new ATOM 0 HA ASP A 109 -8.445 3.251 -19.235 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -8.667 5.638 -18.424 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -7.445 5.288 -17.218 1.00 1.03 H new ATOM 1970 N PRO A 110 -6.998 1.450 -18.199 1.00 0.80 N ATOM 1971 CA PRO A 110 -6.036 0.450 -17.733 1.00 0.78 C ATOM 1972 C PRO A 110 -4.596 0.756 -18.140 1.00 0.86 C ATOM 1973 O PRO A 110 -3.680 0.004 -17.811 1.00 0.90 O ATOM 1974 CB PRO A 110 -6.523 -0.831 -18.404 1.00 0.80 C ATOM 1975 CG PRO A 110 -7.212 -0.373 -19.634 1.00 0.84 C ATOM 1976 CD PRO A 110 -7.844 0.936 -19.285 1.00 0.83 C ATOM 0 HA PRO A 110 -6.000 0.403 -16.645 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -5.692 -1.495 -18.640 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -7.200 -1.386 -17.754 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -6.507 -0.259 -20.458 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -7.962 -1.096 -19.954 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -7.858 1.615 -20.138 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -8.877 0.809 -18.962 1.00 0.83 H new ATOM 1984 N THR A 111 -4.390 1.854 -18.855 1.00 0.93 N ATOM 1985 CA THR A 111 -3.048 2.243 -19.253 1.00 1.05 C ATOM 1986 C THR A 111 -2.448 3.218 -18.253 1.00 0.94 C ATOM 1987 O THR A 111 -1.247 3.483 -18.265 1.00 0.98 O ATOM 1988 CB THR A 111 -3.026 2.844 -20.669 1.00 1.30 C ATOM 1989 OG1 THR A 111 -3.981 3.907 -20.791 1.00 1.33 O ATOM 1990 CG2 THR A 111 -3.336 1.771 -21.687 1.00 1.47 C ATOM 0 H THR A 111 -5.128 2.484 -19.168 1.00 0.93 H new ATOM 0 HA THR A 111 -2.439 1.339 -19.266 1.00 1.05 H new ATOM 0 HB THR A 111 -2.030 3.248 -20.851 1.00 1.30 H new ATOM 0 HG1 THR A 111 -4.218 4.238 -19.899 1.00 1.33 H new ATOM 0 HG21 THR A 111 -3.319 2.203 -22.688 1.00 1.47 H new ATOM 0 HG22 THR A 111 -2.589 0.980 -21.621 1.00 1.47 H new ATOM 0 HG23 THR A 111 -4.324 1.355 -21.488 1.00 1.47 H new ATOM 1998 N ASP A 112 -3.293 3.738 -17.378 1.00 0.86 N ATOM 1999 CA ASP A 112 -2.829 4.622 -16.313 1.00 0.86 C ATOM 2000 C ASP A 112 -2.729 3.851 -15.007 1.00 0.79 C ATOM 2001 O ASP A 112 -3.337 4.213 -13.997 1.00 1.18 O ATOM 2002 CB ASP A 112 -3.744 5.837 -16.149 1.00 1.05 C ATOM 2003 CG ASP A 112 -3.133 6.891 -15.241 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -3.764 7.262 -14.227 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -2.012 7.359 -15.537 1.00 1.40 O ATOM 0 H ASP A 112 -4.299 3.567 -17.381 1.00 0.86 H new ATOM 0 HA ASP A 112 -1.841 4.992 -16.588 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -3.946 6.274 -17.127 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -4.702 5.517 -15.739 1.00 1.05 H new ATOM 2010 N VAL A 113 -1.985 2.759 -15.050 1.00 0.66 N ATOM 2011 CA VAL A 113 -1.770 1.934 -13.881 1.00 0.68 C ATOM 2012 C VAL A 113 -0.861 2.600 -12.867 1.00 0.60 C ATOM 2013 O VAL A 113 -0.107 3.519 -13.182 1.00 0.79 O ATOM 2014 CB VAL A 113 -1.173 0.569 -14.248 1.00 0.86 C ATOM 2015 CG1 VAL A 113 -2.222 -0.301 -14.902 1.00 1.60 C ATOM 2016 CG2 VAL A 113 0.037 0.732 -15.149 1.00 1.23 C ATOM 0 H VAL A 113 -1.517 2.424 -15.892 1.00 0.66 H new ATOM 0 HA VAL A 113 -2.756 1.793 -13.437 1.00 0.68 H new ATOM 0 HB VAL A 113 -0.841 0.079 -13.333 1.00 0.86 H new ATOM 0 HG11 VAL A 113 -1.786 -1.267 -15.158 1.00 1.60 H new ATOM 0 HG12 VAL A 113 -3.053 -0.449 -14.213 1.00 1.60 H new ATOM 0 HG13 VAL A 113 -2.584 0.185 -15.808 1.00 1.60 H new ATOM 0 HG21 VAL A 113 0.442 -0.249 -15.395 1.00 1.23 H new ATOM 0 HG22 VAL A 113 -0.258 1.243 -16.065 1.00 1.23 H new ATOM 0 HG23 VAL A 113 0.797 1.320 -14.634 1.00 1.23 H new ATOM 2026 N GLU A 114 -0.937 2.104 -11.654 1.00 0.45 N ATOM 2027 CA GLU A 114 -0.123 2.604 -10.560 1.00 0.47 C ATOM 2028 C GLU A 114 0.251 1.441 -9.650 1.00 0.44 C ATOM 2029 O GLU A 114 -0.608 0.645 -9.268 1.00 0.48 O ATOM 2030 CB GLU A 114 -0.889 3.692 -9.799 1.00 0.64 C ATOM 2031 CG GLU A 114 -0.108 4.333 -8.661 1.00 0.96 C ATOM 2032 CD GLU A 114 -0.713 5.652 -8.221 1.00 1.94 C ATOM 2033 OE1 GLU A 114 -1.802 5.630 -7.609 1.00 2.78 O ATOM 2034 OE2 GLU A 114 -0.095 6.707 -8.466 1.00 2.10 O ATOM 0 H GLU A 114 -1.563 1.342 -11.393 1.00 0.45 H new ATOM 0 HA GLU A 114 0.794 3.052 -10.943 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -1.186 4.470 -10.503 1.00 0.64 H new ATOM 0 HB3 GLU A 114 -1.805 3.260 -9.396 1.00 0.64 H new ATOM 0 HG2 GLU A 114 -0.078 3.649 -7.813 1.00 0.96 H new ATOM 0 HG3 GLU A 114 0.923 4.496 -8.977 1.00 0.96 H new ATOM 2041 N THR A 115 1.529 1.331 -9.315 1.00 0.45 N ATOM 2042 CA THR A 115 2.021 0.166 -8.603 1.00 0.45 C ATOM 2043 C THR A 115 2.712 0.556 -7.303 1.00 0.44 C ATOM 2044 O THR A 115 3.721 1.262 -7.301 1.00 0.51 O ATOM 2045 CB THR A 115 2.988 -0.662 -9.476 1.00 0.49 C ATOM 2046 OG1 THR A 115 2.357 -0.996 -10.720 1.00 0.53 O ATOM 2047 CG2 THR A 115 3.412 -1.938 -8.763 1.00 0.53 C ATOM 0 H THR A 115 2.239 2.032 -9.525 1.00 0.45 H new ATOM 0 HA THR A 115 1.152 -0.447 -8.365 1.00 0.45 H new ATOM 0 HB THR A 115 3.876 -0.059 -9.664 1.00 0.49 H new ATOM 0 HG1 THR A 115 2.976 -1.520 -11.270 1.00 0.53 H new ATOM 0 HG21 THR A 115 4.093 -2.502 -9.401 1.00 0.53 H new ATOM 0 HG22 THR A 115 3.915 -1.684 -7.830 1.00 0.53 H new ATOM 0 HG23 THR A 115 2.532 -2.544 -8.547 1.00 0.53 H new ATOM 2055 N TYR A 116 2.156 0.071 -6.208 1.00 0.41 N ATOM 2056 CA TYR A 116 2.702 0.299 -4.881 1.00 0.43 C ATOM 2057 C TYR A 116 3.485 -0.944 -4.499 1.00 0.38 C ATOM 2058 O TYR A 116 3.121 -2.041 -4.923 1.00 0.39 O ATOM 2059 CB TYR A 116 1.576 0.543 -3.869 1.00 0.54 C ATOM 2060 CG TYR A 116 0.531 1.550 -4.311 1.00 0.57 C ATOM 2061 CD1 TYR A 116 -0.317 1.275 -5.375 1.00 0.79 C ATOM 2062 CD2 TYR A 116 0.373 2.762 -3.651 1.00 0.80 C ATOM 2063 CE1 TYR A 116 -1.283 2.171 -5.768 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -0.596 3.670 -4.044 1.00 0.91 C ATOM 2065 CZ TYR A 116 -1.422 3.365 -5.102 1.00 0.80 C ATOM 2066 OH TYR A 116 -2.398 4.250 -5.496 1.00 0.96 O ATOM 0 H TYR A 116 1.308 -0.496 -6.213 1.00 0.41 H new ATOM 0 HA TYR A 116 3.343 1.180 -4.879 1.00 0.43 H new ATOM 0 HB2 TYR A 116 1.081 -0.406 -3.661 1.00 0.54 H new ATOM 0 HB3 TYR A 116 2.016 0.885 -2.932 1.00 0.54 H new ATOM 0 HD1 TYR A 116 -0.216 0.339 -5.904 1.00 0.79 H new ATOM 0 HD2 TYR A 116 1.017 3.000 -2.817 1.00 0.80 H new ATOM 0 HE1 TYR A 116 -1.932 1.937 -6.599 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -0.703 4.611 -3.524 1.00 0.91 H new ATOM 0 HH TYR A 116 -2.013 4.910 -6.109 1.00 0.96 H new ATOM 2076 N GLU A 117 4.548 -0.820 -3.719 1.00 0.37 N ATOM 2077 CA GLU A 117 5.424 -1.948 -3.464 1.00 0.35 C ATOM 2078 C GLU A 117 5.787 -1.964 -1.981 1.00 0.34 C ATOM 2079 O GLU A 117 6.270 -0.966 -1.443 1.00 0.44 O ATOM 2080 CB GLU A 117 6.690 -1.821 -4.322 1.00 0.44 C ATOM 2081 CG GLU A 117 6.402 -1.506 -5.785 1.00 0.92 C ATOM 2082 CD GLU A 117 7.652 -1.230 -6.589 1.00 0.83 C ATOM 2083 OE1 GLU A 117 8.378 -2.192 -6.920 1.00 1.27 O ATOM 2084 OE2 GLU A 117 7.921 -0.049 -6.884 1.00 1.18 O ATOM 0 H GLU A 117 4.822 0.046 -3.255 1.00 0.37 H new ATOM 0 HA GLU A 117 4.921 -2.880 -3.723 1.00 0.35 H new ATOM 0 HB2 GLU A 117 7.324 -1.037 -3.907 1.00 0.44 H new ATOM 0 HB3 GLU A 117 7.255 -2.752 -4.263 1.00 0.44 H new ATOM 0 HG2 GLU A 117 5.867 -2.344 -6.232 1.00 0.92 H new ATOM 0 HG3 GLU A 117 5.742 -0.640 -5.841 1.00 0.92 H new ATOM 2091 N TYR A 118 5.538 -3.078 -1.318 1.00 0.29 N ATOM 2092 CA TYR A 118 5.737 -3.172 0.119 1.00 0.29 C ATOM 2093 C TYR A 118 7.008 -3.939 0.451 1.00 0.31 C ATOM 2094 O TYR A 118 7.163 -5.104 0.079 1.00 0.41 O ATOM 2095 CB TYR A 118 4.534 -3.845 0.783 1.00 0.32 C ATOM 2096 CG TYR A 118 3.211 -3.221 0.401 1.00 0.35 C ATOM 2097 CD1 TYR A 118 2.796 -2.017 0.959 1.00 0.50 C ATOM 2098 CD2 TYR A 118 2.371 -3.836 -0.511 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.591 -1.455 0.612 1.00 0.58 C ATOM 2100 CE2 TYR A 118 1.174 -3.278 -0.860 1.00 0.52 C ATOM 2101 CZ TYR A 118 0.797 -2.071 -0.293 1.00 0.50 C ATOM 2102 OH TYR A 118 -0.411 -1.564 -0.645 1.00 0.60 O ATOM 0 H TYR A 118 5.196 -3.935 -1.753 1.00 0.29 H new ATOM 0 HA TYR A 118 5.838 -2.158 0.507 1.00 0.29 H new ATOM 0 HB2 TYR A 118 4.522 -4.900 0.511 1.00 0.32 H new ATOM 0 HB3 TYR A 118 4.651 -3.796 1.866 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.430 -1.516 1.676 1.00 0.50 H new ATOM 0 HD2 TYR A 118 2.667 -4.775 -0.955 1.00 0.47 H new ATOM 0 HE1 TYR A 118 1.279 -0.524 1.061 1.00 0.58 H new ATOM 0 HE2 TYR A 118 0.528 -3.772 -1.570 1.00 0.52 H new ATOM 0 HH TYR A 118 -0.831 -2.150 -1.309 1.00 0.60 H new ATOM 2112 N ARG A 119 7.914 -3.266 1.141 1.00 0.31 N ATOM 2113 CA ARG A 119 9.154 -3.871 1.598 1.00 0.35 C ATOM 2114 C ARG A 119 9.266 -3.710 3.107 1.00 0.35 C ATOM 2115 O ARG A 119 8.684 -2.793 3.674 1.00 0.42 O ATOM 2116 CB ARG A 119 10.350 -3.209 0.911 1.00 0.46 C ATOM 2117 CG ARG A 119 10.320 -3.309 -0.606 1.00 1.14 C ATOM 2118 CD ARG A 119 11.383 -2.428 -1.234 1.00 1.30 C ATOM 2119 NE ARG A 119 11.197 -1.020 -0.877 1.00 1.83 N ATOM 2120 CZ ARG A 119 12.106 -0.067 -1.089 1.00 2.50 C ATOM 2121 NH1 ARG A 119 13.259 -0.358 -1.678 1.00 2.76 N ATOM 2122 NH2 ARG A 119 11.857 1.184 -0.719 1.00 3.41 N ATOM 0 H ARG A 119 7.811 -2.285 1.400 1.00 0.31 H new ATOM 0 HA ARG A 119 9.152 -4.931 1.345 1.00 0.35 H new ATOM 0 HB2 ARG A 119 10.384 -2.157 1.196 1.00 0.46 H new ATOM 0 HB3 ARG A 119 11.268 -3.669 1.278 1.00 0.46 H new ATOM 0 HG2 ARG A 119 10.477 -4.344 -0.908 1.00 1.14 H new ATOM 0 HG3 ARG A 119 9.337 -3.015 -0.973 1.00 1.14 H new ATOM 0 HD2 ARG A 119 12.369 -2.759 -0.909 1.00 1.30 H new ATOM 0 HD3 ARG A 119 11.352 -2.536 -2.318 1.00 1.30 H new ATOM 0 HE ARG A 119 10.316 -0.751 -0.438 1.00 1.83 H new ATOM 0 HH11 ARG A 119 13.454 -1.315 -1.972 1.00 2.76 H new ATOM 0 HH12 ARG A 119 13.950 0.375 -1.837 1.00 2.76 H new ATOM 0 HH21 ARG A 119 10.970 1.417 -0.272 1.00 3.41 H new ATOM 0 HH22 ARG A 119 12.553 1.912 -0.882 1.00 3.41 H new ATOM 2136 N ARG A 120 9.990 -4.599 3.762 1.00 0.36 N ATOM 2137 CA ARG A 120 10.170 -4.497 5.202 1.00 0.41 C ATOM 2138 C ARG A 120 11.609 -4.145 5.534 1.00 0.46 C ATOM 2139 O ARG A 120 12.540 -4.774 5.031 1.00 0.63 O ATOM 2140 CB ARG A 120 9.793 -5.807 5.900 1.00 0.49 C ATOM 2141 CG ARG A 120 9.867 -5.727 7.420 1.00 1.06 C ATOM 2142 CD ARG A 120 8.723 -4.905 7.999 1.00 0.97 C ATOM 2143 NE ARG A 120 8.783 -4.833 9.461 1.00 1.27 N ATOM 2144 CZ ARG A 120 7.718 -4.943 10.262 1.00 1.56 C ATOM 2145 NH1 ARG A 120 6.525 -5.207 9.754 1.00 1.62 N ATOM 2146 NH2 ARG A 120 7.853 -4.828 11.578 1.00 1.96 N ATOM 0 H ARG A 120 10.460 -5.393 3.327 1.00 0.36 H new ATOM 0 HA ARG A 120 9.511 -3.706 5.561 1.00 0.41 H new ATOM 0 HB2 ARG A 120 8.781 -6.088 5.607 1.00 0.49 H new ATOM 0 HB3 ARG A 120 10.457 -6.599 5.553 1.00 0.49 H new ATOM 0 HG2 ARG A 120 9.840 -6.733 7.839 1.00 1.06 H new ATOM 0 HG3 ARG A 120 10.818 -5.284 7.715 1.00 1.06 H new ATOM 0 HD2 ARG A 120 8.755 -3.897 7.585 1.00 0.97 H new ATOM 0 HD3 ARG A 120 7.772 -5.344 7.696 1.00 0.97 H new ATOM 0 HE ARG A 120 9.695 -4.690 9.895 1.00 1.27 H new ATOM 0 HH11 ARG A 120 6.415 -5.328 8.747 1.00 1.62 H new ATOM 0 HH12 ARG A 120 5.716 -5.290 10.369 1.00 1.62 H new ATOM 0 HH21 ARG A 120 8.773 -4.655 11.983 1.00 1.96 H new ATOM 0 HH22 ARG A 120 7.037 -4.913 12.184 1.00 1.96 H new ATOM 2160 N ASP A 121 11.783 -3.133 6.368 1.00 0.49 N ATOM 2161 CA ASP A 121 13.103 -2.756 6.840 1.00 0.59 C ATOM 2162 C ASP A 121 13.117 -2.754 8.357 1.00 0.66 C ATOM 2163 O ASP A 121 12.792 -1.750 8.996 1.00 1.08 O ATOM 2164 CB ASP A 121 13.500 -1.385 6.295 1.00 0.67 C ATOM 2165 CG ASP A 121 14.923 -1.008 6.649 1.00 0.82 C ATOM 2166 OD1 ASP A 121 15.859 -1.489 5.975 1.00 0.96 O ATOM 2167 OD2 ASP A 121 15.114 -0.240 7.616 1.00 0.88 O ATOM 0 H ASP A 121 11.024 -2.557 6.732 1.00 0.49 H new ATOM 0 HA ASP A 121 13.831 -3.482 6.478 1.00 0.59 H new ATOM 0 HB2 ASP A 121 13.386 -1.382 5.211 1.00 0.67 H new ATOM 0 HB3 ASP A 121 12.819 -0.630 6.689 1.00 0.67 H new ATOM 2172 N GLY A 122 13.463 -3.899 8.927 1.00 0.73 N ATOM 2173 CA GLY A 122 13.471 -4.045 10.365 1.00 0.83 C ATOM 2174 C GLY A 122 12.077 -3.961 10.945 1.00 0.78 C ATOM 2175 O GLY A 122 11.269 -4.881 10.790 1.00 0.92 O ATOM 0 H GLY A 122 13.740 -4.735 8.413 1.00 0.73 H new ATOM 0 HA2 GLY A 122 13.918 -5.003 10.631 1.00 0.83 H new ATOM 0 HA3 GLY A 122 14.096 -3.268 10.806 1.00 0.83 H new ATOM 2179 N ASP A 123 11.778 -2.848 11.590 1.00 0.70 N ATOM 2180 CA ASP A 123 10.471 -2.649 12.193 1.00 0.78 C ATOM 2181 C ASP A 123 9.609 -1.723 11.341 1.00 0.64 C ATOM 2182 O ASP A 123 8.448 -1.479 11.659 1.00 0.75 O ATOM 2183 CB ASP A 123 10.608 -2.090 13.613 1.00 0.98 C ATOM 2184 CG ASP A 123 11.250 -0.718 13.656 1.00 1.67 C ATOM 2185 OD1 ASP A 123 10.525 0.274 13.879 1.00 2.17 O ATOM 2186 OD2 ASP A 123 12.475 -0.620 13.439 1.00 2.31 O ATOM 0 H ASP A 123 12.423 -2.067 11.710 1.00 0.70 H new ATOM 0 HA ASP A 123 9.978 -3.620 12.247 1.00 0.78 H new ATOM 0 HB2 ASP A 123 9.621 -2.036 14.072 1.00 0.98 H new ATOM 0 HB3 ASP A 123 11.201 -2.780 14.212 1.00 0.98 H new ATOM 2191 N TYR A 124 10.170 -1.233 10.243 1.00 0.48 N ATOM 2192 CA TYR A 124 9.456 -0.295 9.389 1.00 0.36 C ATOM 2193 C TYR A 124 8.909 -0.985 8.149 1.00 0.33 C ATOM 2194 O TYR A 124 9.608 -1.779 7.510 1.00 0.39 O ATOM 2195 CB TYR A 124 10.376 0.848 8.951 1.00 0.32 C ATOM 2196 CG TYR A 124 10.858 1.732 10.078 1.00 0.37 C ATOM 2197 CD1 TYR A 124 12.036 1.444 10.753 1.00 0.46 C ATOM 2198 CD2 TYR A 124 10.126 2.843 10.474 1.00 0.49 C ATOM 2199 CE1 TYR A 124 12.472 2.242 11.793 1.00 0.53 C ATOM 2200 CE2 TYR A 124 10.558 3.646 11.512 1.00 0.58 C ATOM 2201 CZ TYR A 124 11.760 3.371 12.131 1.00 0.56 C ATOM 2202 OH TYR A 124 12.161 4.138 13.208 1.00 0.67 O ATOM 0 H TYR A 124 11.110 -1.468 9.925 1.00 0.48 H new ATOM 0 HA TYR A 124 8.626 0.104 9.973 1.00 0.36 H new ATOM 0 HB2 TYR A 124 11.242 0.425 8.442 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.848 1.464 8.223 1.00 0.32 H new ATOM 0 HD1 TYR A 124 12.620 0.584 10.461 1.00 0.46 H new ATOM 0 HD2 TYR A 124 9.205 3.083 9.963 1.00 0.49 H new ATOM 0 HE1 TYR A 124 13.367 1.982 12.338 1.00 0.53 H new ATOM 0 HE2 TYR A 124 9.959 4.484 11.837 1.00 0.58 H new ATOM 0 HH TYR A 124 11.553 4.899 13.312 1.00 0.67 H new ATOM 2212 N LEU A 125 7.660 -0.699 7.816 1.00 0.30 N ATOM 2213 CA LEU A 125 7.100 -1.087 6.534 1.00 0.30 C ATOM 2214 C LEU A 125 7.467 0.007 5.536 1.00 0.27 C ATOM 2215 O LEU A 125 7.000 1.140 5.644 1.00 0.31 O ATOM 2216 CB LEU A 125 5.567 -1.267 6.669 1.00 0.36 C ATOM 2217 CG LEU A 125 4.786 -1.832 5.456 1.00 0.44 C ATOM 2218 CD1 LEU A 125 4.531 -0.770 4.394 1.00 1.03 C ATOM 2219 CD2 LEU A 125 5.505 -3.028 4.850 1.00 0.88 C ATOM 0 H LEU A 125 7.012 -0.196 8.422 1.00 0.30 H new ATOM 0 HA LEU A 125 7.499 -2.040 6.187 1.00 0.30 H new ATOM 0 HB2 LEU A 125 5.383 -1.924 7.519 1.00 0.36 H new ATOM 0 HB3 LEU A 125 5.139 -0.296 6.918 1.00 0.36 H new ATOM 0 HG LEU A 125 3.817 -2.162 5.830 1.00 0.44 H new ATOM 0 HD11 LEU A 125 3.981 -1.211 3.563 1.00 1.03 H new ATOM 0 HD12 LEU A 125 3.946 0.043 4.825 1.00 1.03 H new ATOM 0 HD13 LEU A 125 5.483 -0.380 4.033 1.00 1.03 H new ATOM 0 HD21 LEU A 125 4.934 -3.404 4.001 1.00 0.88 H new ATOM 0 HD22 LEU A 125 6.497 -2.725 4.515 1.00 0.88 H new ATOM 0 HD23 LEU A 125 5.600 -3.814 5.600 1.00 0.88 H new ATOM 2231 N VAL A 126 8.321 -0.321 4.587 1.00 0.29 N ATOM 2232 CA VAL A 126 8.866 0.683 3.697 1.00 0.34 C ATOM 2233 C VAL A 126 8.101 0.691 2.392 1.00 0.36 C ATOM 2234 O VAL A 126 8.266 -0.190 1.543 1.00 0.43 O ATOM 2235 CB VAL A 126 10.367 0.481 3.418 1.00 0.41 C ATOM 2236 CG1 VAL A 126 10.898 1.587 2.513 1.00 0.46 C ATOM 2237 CG2 VAL A 126 11.147 0.441 4.720 1.00 0.47 C ATOM 0 H VAL A 126 8.651 -1.270 4.413 1.00 0.29 H new ATOM 0 HA VAL A 126 8.757 1.644 4.200 1.00 0.34 H new ATOM 0 HB VAL A 126 10.496 -0.473 2.907 1.00 0.41 H new ATOM 0 HG11 VAL A 126 11.960 1.427 2.327 1.00 0.46 H new ATOM 0 HG12 VAL A 126 10.358 1.573 1.566 1.00 0.46 H new ATOM 0 HG13 VAL A 126 10.756 2.553 2.997 1.00 0.46 H new ATOM 0 HG21 VAL A 126 12.206 0.298 4.505 1.00 0.47 H new ATOM 0 HG22 VAL A 126 11.009 1.380 5.256 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.787 -0.384 5.335 1.00 0.47 H new ATOM 2247 N MET A 127 7.249 1.683 2.263 1.00 0.38 N ATOM 2248 CA MET A 127 6.440 1.859 1.080 1.00 0.46 C ATOM 2249 C MET A 127 7.319 2.288 -0.078 1.00 0.33 C ATOM 2250 O MET A 127 8.101 3.221 0.057 1.00 0.33 O ATOM 2251 CB MET A 127 5.390 2.927 1.351 1.00 0.65 C ATOM 2252 CG MET A 127 4.250 2.935 0.360 1.00 0.87 C ATOM 2253 SD MET A 127 3.328 1.394 0.395 1.00 1.08 S ATOM 2254 CE MET A 127 1.938 1.837 -0.626 1.00 0.66 C ATOM 0 H MET A 127 7.098 2.393 2.979 1.00 0.38 H new ATOM 0 HA MET A 127 5.950 0.919 0.826 1.00 0.46 H new ATOM 0 HB2 MET A 127 4.986 2.779 2.352 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.871 3.905 1.343 1.00 0.65 H new ATOM 0 HG2 MET A 127 3.580 3.765 0.583 1.00 0.87 H new ATOM 0 HG3 MET A 127 4.641 3.102 -0.643 1.00 0.87 H new ATOM 0 HE1 MET A 127 1.407 0.935 -0.929 1.00 0.66 H new ATOM 0 HE2 MET A 127 1.264 2.483 -0.063 1.00 0.66 H new ATOM 0 HE3 MET A 127 2.291 2.365 -1.512 1.00 0.66 H new ATOM 2264 N LYS A 128 7.208 1.613 -1.201 1.00 0.33 N ATOM 2265 CA LYS A 128 7.979 1.964 -2.376 1.00 0.35 C ATOM 2266 C LYS A 128 7.040 2.141 -3.554 1.00 0.35 C ATOM 2267 O LYS A 128 6.112 1.359 -3.732 1.00 0.44 O ATOM 2268 CB LYS A 128 9.017 0.875 -2.671 1.00 0.55 C ATOM 2269 CG LYS A 128 9.801 1.085 -3.960 1.00 0.82 C ATOM 2270 CD LYS A 128 10.652 2.345 -3.907 1.00 0.99 C ATOM 2271 CE LYS A 128 11.438 2.539 -5.195 1.00 1.42 C ATOM 2272 NZ LYS A 128 12.388 1.423 -5.445 1.00 2.20 N ATOM 0 H LYS A 128 6.588 0.813 -1.327 1.00 0.33 H new ATOM 0 HA LYS A 128 8.510 2.900 -2.199 1.00 0.35 H new ATOM 0 HB2 LYS A 128 9.718 0.823 -1.838 1.00 0.55 H new ATOM 0 HB3 LYS A 128 8.510 -0.089 -2.721 1.00 0.55 H new ATOM 0 HG2 LYS A 128 10.441 0.222 -4.140 1.00 0.82 H new ATOM 0 HG3 LYS A 128 9.109 1.149 -4.800 1.00 0.82 H new ATOM 0 HD2 LYS A 128 10.012 3.211 -3.735 1.00 0.99 H new ATOM 0 HD3 LYS A 128 11.341 2.285 -3.064 1.00 0.99 H new ATOM 0 HE2 LYS A 128 10.746 2.619 -6.033 1.00 1.42 H new ATOM 0 HE3 LYS A 128 11.988 3.479 -5.145 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 13.061 1.700 -6.188 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 12.907 1.206 -4.570 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 11.861 0.581 -5.752 1.00 2.20 H new ATOM 2286 N MET A 129 7.253 3.184 -4.333 1.00 0.36 N ATOM 2287 CA MET A 129 6.437 3.429 -5.509 1.00 0.41 C ATOM 2288 C MET A 129 7.180 4.374 -6.443 1.00 0.35 C ATOM 2289 O MET A 129 7.857 5.294 -5.984 1.00 0.40 O ATOM 2290 CB MET A 129 5.083 4.011 -5.085 1.00 0.49 C ATOM 2291 CG MET A 129 4.063 4.095 -6.205 1.00 1.02 C ATOM 2292 SD MET A 129 2.389 4.385 -5.605 1.00 1.11 S ATOM 2293 CE MET A 129 2.648 5.716 -4.437 1.00 0.50 C ATOM 0 H MET A 129 7.985 3.877 -4.173 1.00 0.36 H new ATOM 0 HA MET A 129 6.249 2.496 -6.040 1.00 0.41 H new ATOM 0 HB2 MET A 129 4.673 3.400 -4.281 1.00 0.49 H new ATOM 0 HB3 MET A 129 5.241 5.009 -4.677 1.00 0.49 H new ATOM 0 HG2 MET A 129 4.344 4.898 -6.887 1.00 1.02 H new ATOM 0 HG3 MET A 129 4.083 3.168 -6.779 1.00 1.02 H new ATOM 0 HE1 MET A 129 1.749 6.329 -4.379 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.868 5.300 -3.454 1.00 0.50 H new ATOM 0 HE3 MET A 129 3.486 6.331 -4.766 1.00 0.50 H new ATOM 2303 N SER A 130 7.097 4.137 -7.742 1.00 0.34 N ATOM 2304 CA SER A 130 7.833 4.952 -8.691 1.00 0.33 C ATOM 2305 C SER A 130 7.032 5.189 -9.963 1.00 0.33 C ATOM 2306 O SER A 130 6.226 4.355 -10.380 1.00 0.38 O ATOM 2307 CB SER A 130 9.170 4.290 -9.029 1.00 0.39 C ATOM 2308 OG SER A 130 9.995 5.146 -9.801 1.00 1.06 O ATOM 0 H SER A 130 6.534 3.396 -8.159 1.00 0.34 H new ATOM 0 HA SER A 130 8.017 5.920 -8.226 1.00 0.33 H new ATOM 0 HB2 SER A 130 9.686 4.020 -8.108 1.00 0.39 H new ATOM 0 HB3 SER A 130 8.991 3.365 -9.577 1.00 0.39 H new ATOM 0 HG SER A 130 9.697 6.073 -9.693 1.00 1.06 H new ATOM 2314 N TRP A 131 7.251 6.353 -10.548 1.00 0.32 N ATOM 2315 CA TRP A 131 6.631 6.726 -11.809 1.00 0.34 C ATOM 2316 C TRP A 131 7.494 7.754 -12.512 1.00 0.34 C ATOM 2317 O TRP A 131 7.951 8.711 -11.890 1.00 0.33 O ATOM 2318 CB TRP A 131 5.233 7.298 -11.563 1.00 0.36 C ATOM 2319 CG TRP A 131 4.468 7.604 -12.812 1.00 0.39 C ATOM 2320 CD1 TRP A 131 4.422 8.796 -13.469 1.00 0.46 C ATOM 2321 CD2 TRP A 131 3.627 6.709 -13.548 1.00 0.47 C ATOM 2322 NE1 TRP A 131 3.604 8.702 -14.564 1.00 0.52 N ATOM 2323 CE2 TRP A 131 3.106 7.430 -14.636 1.00 0.54 C ATOM 2324 CE3 TRP A 131 3.267 5.369 -13.392 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 2.244 6.861 -15.563 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 2.409 4.803 -14.315 1.00 0.73 C ATOM 2327 CH2 TRP A 131 1.905 5.548 -15.389 1.00 0.76 C ATOM 0 H TRP A 131 7.866 7.069 -10.161 1.00 0.32 H new ATOM 0 HA TRP A 131 6.539 5.840 -12.437 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.662 6.588 -10.965 1.00 0.36 H new ATOM 0 HB3 TRP A 131 5.324 8.210 -10.973 1.00 0.36 H new ATOM 0 HD1 TRP A 131 4.954 9.687 -13.170 1.00 0.46 H new ATOM 0 HE1 TRP A 131 3.400 9.457 -15.219 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.651 4.787 -12.567 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 1.855 7.434 -16.392 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 2.122 3.768 -14.207 1.00 0.73 H new ATOM 0 HH2 TRP A 131 1.236 5.076 -16.093 1.00 0.76 H new ATOM 2338 N LYS A 132 7.711 7.546 -13.802 1.00 0.37 N ATOM 2339 CA LYS A 132 8.493 8.453 -14.623 1.00 0.40 C ATOM 2340 C LYS A 132 9.899 8.655 -14.054 1.00 0.39 C ATOM 2341 O LYS A 132 10.446 9.755 -14.099 1.00 0.42 O ATOM 2342 CB LYS A 132 7.764 9.790 -14.740 1.00 0.44 C ATOM 2343 CG LYS A 132 7.979 10.480 -16.070 1.00 0.68 C ATOM 2344 CD LYS A 132 7.197 11.772 -16.158 1.00 1.22 C ATOM 2345 CE LYS A 132 5.705 11.503 -16.154 1.00 1.43 C ATOM 2346 NZ LYS A 132 5.293 10.652 -17.303 1.00 1.96 N ATOM 0 H LYS A 132 7.347 6.739 -14.309 1.00 0.37 H new ATOM 0 HA LYS A 132 8.605 8.012 -15.614 1.00 0.40 H new ATOM 0 HB2 LYS A 132 6.696 9.627 -14.593 1.00 0.44 H new ATOM 0 HB3 LYS A 132 8.099 10.449 -13.939 1.00 0.44 H new ATOM 0 HG2 LYS A 132 9.041 10.686 -16.207 1.00 0.68 H new ATOM 0 HG3 LYS A 132 7.677 9.815 -16.879 1.00 0.68 H new ATOM 0 HD2 LYS A 132 7.457 12.417 -15.318 1.00 1.22 H new ATOM 0 HD3 LYS A 132 7.472 12.307 -17.067 1.00 1.22 H new ATOM 0 HE2 LYS A 132 5.427 11.013 -15.221 1.00 1.43 H new ATOM 0 HE3 LYS A 132 5.165 12.449 -16.191 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 4.267 10.737 -17.448 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 5.791 10.963 -18.162 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 5.533 9.660 -17.104 1.00 1.96 H new ATOM 2360 N GLY A 133 10.473 7.584 -13.514 1.00 0.40 N ATOM 2361 CA GLY A 133 11.800 7.659 -12.929 1.00 0.42 C ATOM 2362 C GLY A 133 11.783 8.190 -11.508 1.00 0.40 C ATOM 2363 O GLY A 133 12.741 8.012 -10.756 1.00 0.53 O ATOM 0 H GLY A 133 10.040 6.661 -13.471 1.00 0.40 H new ATOM 0 HA2 GLY A 133 12.253 6.668 -12.937 1.00 0.42 H new ATOM 0 HA3 GLY A 133 12.429 8.302 -13.545 1.00 0.42 H new ATOM 2367 N VAL A 134 10.689 8.838 -11.136 1.00 0.35 N ATOM 2368 CA VAL A 134 10.551 9.415 -9.811 1.00 0.34 C ATOM 2369 C VAL A 134 10.185 8.335 -8.805 1.00 0.36 C ATOM 2370 O VAL A 134 9.101 7.751 -8.873 1.00 0.40 O ATOM 2371 CB VAL A 134 9.470 10.516 -9.784 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.452 11.221 -8.437 1.00 0.38 C ATOM 2373 CG2 VAL A 134 9.683 11.510 -10.916 1.00 0.43 C ATOM 0 H VAL A 134 9.879 8.977 -11.740 1.00 0.35 H new ATOM 0 HA VAL A 134 11.509 9.862 -9.546 1.00 0.34 H new ATOM 0 HB VAL A 134 8.499 10.043 -9.930 1.00 0.38 H new ATOM 0 HG11 VAL A 134 8.683 11.993 -8.441 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.237 10.498 -7.651 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.424 11.678 -8.253 1.00 0.38 H new ATOM 0 HG21 VAL A 134 8.909 12.277 -10.877 1.00 0.43 H new ATOM 0 HG22 VAL A 134 10.662 11.977 -10.811 1.00 0.43 H new ATOM 0 HG23 VAL A 134 9.630 10.989 -11.872 1.00 0.43 H new ATOM 2383 N SER A 135 11.093 8.044 -7.894 1.00 0.38 N ATOM 2384 CA SER A 135 10.858 7.037 -6.884 1.00 0.42 C ATOM 2385 C SER A 135 10.588 7.665 -5.527 1.00 0.40 C ATOM 2386 O SER A 135 11.282 8.588 -5.103 1.00 0.51 O ATOM 2387 CB SER A 135 12.059 6.110 -6.806 1.00 0.50 C ATOM 2388 OG SER A 135 13.210 6.722 -7.366 1.00 1.14 O ATOM 0 H SER A 135 12.006 8.496 -7.835 1.00 0.38 H new ATOM 0 HA SER A 135 9.973 6.466 -7.165 1.00 0.42 H new ATOM 0 HB2 SER A 135 12.252 5.846 -5.766 1.00 0.50 H new ATOM 0 HB3 SER A 135 11.842 5.182 -7.335 1.00 0.50 H new ATOM 0 HG SER A 135 13.971 6.107 -7.303 1.00 1.14 H new ATOM 2394 N THR A 136 9.583 7.154 -4.850 1.00 0.35 N ATOM 2395 CA THR A 136 9.232 7.637 -3.528 1.00 0.34 C ATOM 2396 C THR A 136 9.159 6.480 -2.540 1.00 0.31 C ATOM 2397 O THR A 136 8.922 5.330 -2.929 1.00 0.34 O ATOM 2398 CB THR A 136 7.890 8.404 -3.537 1.00 0.38 C ATOM 2399 OG1 THR A 136 7.563 8.835 -2.212 1.00 0.40 O ATOM 2400 CG2 THR A 136 6.760 7.545 -4.079 1.00 0.39 C ATOM 0 H THR A 136 8.990 6.399 -5.194 1.00 0.35 H new ATOM 0 HA THR A 136 10.014 8.329 -3.216 1.00 0.34 H new ATOM 0 HB THR A 136 8.008 9.268 -4.190 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.282 9.403 -1.866 1.00 0.40 H new ATOM 0 HG21 THR A 136 5.832 8.117 -4.070 1.00 0.39 H new ATOM 0 HG22 THR A 136 6.991 7.243 -5.101 1.00 0.39 H new ATOM 0 HG23 THR A 136 6.646 6.658 -3.455 1.00 0.39 H new ATOM 2408 N SER A 137 9.403 6.778 -1.274 1.00 0.33 N ATOM 2409 CA SER A 137 9.294 5.789 -0.220 1.00 0.32 C ATOM 2410 C SER A 137 8.729 6.415 1.048 1.00 0.31 C ATOM 2411 O SER A 137 9.184 7.471 1.487 1.00 0.40 O ATOM 2412 CB SER A 137 10.660 5.161 0.074 1.00 0.39 C ATOM 2413 OG SER A 137 11.184 4.522 -1.079 1.00 0.79 O ATOM 0 H SER A 137 9.680 7.705 -0.952 1.00 0.33 H new ATOM 0 HA SER A 137 8.613 5.008 -0.560 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.353 5.931 0.414 1.00 0.39 H new ATOM 0 HB3 SER A 137 10.565 4.438 0.884 1.00 0.39 H new ATOM 0 HG SER A 137 12.057 4.130 -0.868 1.00 0.79 H new ATOM 2419 N ARG A 138 7.720 5.776 1.618 1.00 0.35 N ATOM 2420 CA ARG A 138 7.224 6.172 2.925 1.00 0.44 C ATOM 2421 C ARG A 138 7.792 5.246 3.978 1.00 0.39 C ATOM 2422 O ARG A 138 8.044 4.070 3.711 1.00 0.43 O ATOM 2423 CB ARG A 138 5.700 6.130 3.021 1.00 0.63 C ATOM 2424 CG ARG A 138 4.962 7.141 2.164 1.00 1.08 C ATOM 2425 CD ARG A 138 3.621 7.471 2.798 1.00 0.88 C ATOM 2426 NE ARG A 138 2.701 8.122 1.874 1.00 0.82 N ATOM 2427 CZ ARG A 138 2.164 9.328 2.071 1.00 1.07 C ATOM 2428 NH1 ARG A 138 2.532 10.061 3.117 1.00 1.84 N ATOM 2429 NH2 ARG A 138 1.266 9.800 1.217 1.00 1.63 N ATOM 0 H ARG A 138 7.231 4.985 1.199 1.00 0.35 H new ATOM 0 HA ARG A 138 7.541 7.203 3.084 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.364 5.131 2.744 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.415 6.285 4.062 1.00 0.63 H new ATOM 0 HG2 ARG A 138 5.558 8.047 2.060 1.00 1.08 H new ATOM 0 HG3 ARG A 138 4.812 6.741 1.161 1.00 1.08 H new ATOM 0 HD2 ARG A 138 3.165 6.553 3.170 1.00 0.88 H new ATOM 0 HD3 ARG A 138 3.782 8.119 3.659 1.00 0.88 H new ATOM 0 HE ARG A 138 2.451 7.623 1.020 1.00 0.82 H new ATOM 0 HH11 ARG A 138 3.227 9.702 3.772 1.00 1.84 H new ATOM 0 HH12 ARG A 138 2.120 10.982 3.265 1.00 1.84 H new ATOM 0 HH21 ARG A 138 0.986 9.242 0.411 1.00 1.63 H new ATOM 0 HH22 ARG A 138 0.855 10.721 1.367 1.00 1.63 H new ATOM 2443 N TYR A 139 7.980 5.766 5.169 1.00 0.39 N ATOM 2444 CA TYR A 139 8.473 4.965 6.268 1.00 0.36 C ATOM 2445 C TYR A 139 7.355 4.742 7.273 1.00 0.34 C ATOM 2446 O TYR A 139 7.029 5.623 8.076 1.00 0.39 O ATOM 2447 CB TYR A 139 9.687 5.637 6.908 1.00 0.42 C ATOM 2448 CG TYR A 139 10.848 5.783 5.944 1.00 0.44 C ATOM 2449 CD1 TYR A 139 10.982 6.916 5.149 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.799 4.780 5.817 1.00 0.50 C ATOM 2451 CE1 TYR A 139 12.028 7.044 4.258 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.851 4.902 4.930 1.00 0.56 C ATOM 2453 CZ TYR A 139 12.962 6.035 4.152 1.00 0.56 C ATOM 2454 OH TYR A 139 14.003 6.154 3.259 1.00 0.64 O ATOM 0 H TYR A 139 7.799 6.742 5.403 1.00 0.39 H new ATOM 0 HA TYR A 139 8.797 3.992 5.900 1.00 0.36 H new ATOM 0 HB2 TYR A 139 9.400 6.622 7.277 1.00 0.42 H new ATOM 0 HB3 TYR A 139 10.007 5.054 7.771 1.00 0.42 H new ATOM 0 HD1 TYR A 139 10.254 7.710 5.230 1.00 0.46 H new ATOM 0 HD2 TYR A 139 11.715 3.889 6.422 1.00 0.50 H new ATOM 0 HE1 TYR A 139 12.115 7.930 3.647 1.00 0.52 H new ATOM 0 HE2 TYR A 139 13.584 4.113 4.846 1.00 0.56 H new ATOM 0 HH TYR A 139 14.571 5.357 3.310 1.00 0.64 H new ATOM 2464 N TYR A 140 6.759 3.563 7.202 1.00 0.29 N ATOM 2465 CA TYR A 140 5.610 3.234 8.022 1.00 0.27 C ATOM 2466 C TYR A 140 6.051 2.569 9.314 1.00 0.29 C ATOM 2467 O TYR A 140 6.783 1.578 9.307 1.00 0.37 O ATOM 2468 CB TYR A 140 4.642 2.320 7.264 1.00 0.27 C ATOM 2469 CG TYR A 140 3.767 3.038 6.260 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.532 3.559 6.621 1.00 0.39 C ATOM 2471 CD2 TYR A 140 4.187 3.202 4.946 1.00 0.45 C ATOM 2472 CE1 TYR A 140 1.739 4.221 5.697 1.00 0.48 C ATOM 2473 CE2 TYR A 140 3.403 3.859 4.023 1.00 0.52 C ATOM 2474 CZ TYR A 140 2.143 4.352 4.426 1.00 0.48 C ATOM 2475 OH TYR A 140 1.401 5.021 3.478 1.00 0.60 O ATOM 0 H TYR A 140 7.057 2.813 6.578 1.00 0.29 H new ATOM 0 HA TYR A 140 5.091 4.162 8.263 1.00 0.27 H new ATOM 0 HB2 TYR A 140 5.216 1.552 6.745 1.00 0.27 H new ATOM 0 HB3 TYR A 140 4.004 1.808 7.985 1.00 0.27 H new ATOM 0 HD1 TYR A 140 2.184 3.447 7.637 1.00 0.39 H new ATOM 0 HD2 TYR A 140 5.145 2.807 4.642 1.00 0.45 H new ATOM 0 HE1 TYR A 140 0.789 4.634 6.003 1.00 0.48 H new ATOM 0 HE2 TYR A 140 3.747 3.995 3.008 1.00 0.52 H new ATOM 0 HH TYR A 140 1.740 4.804 2.584 1.00 0.60 H new ATOM 2485 N LYS A 141 5.598 3.128 10.415 1.00 0.37 N ATOM 2486 CA LYS A 141 5.881 2.601 11.729 1.00 0.48 C ATOM 2487 C LYS A 141 4.794 1.605 12.065 1.00 0.45 C ATOM 2488 O LYS A 141 3.741 1.667 11.480 1.00 0.54 O ATOM 2489 CB LYS A 141 5.845 3.748 12.736 1.00 0.69 C ATOM 2490 CG LYS A 141 6.435 3.402 14.084 1.00 0.72 C ATOM 2491 CD LYS A 141 7.941 3.546 14.069 1.00 0.97 C ATOM 2492 CE LYS A 141 8.362 5.007 14.008 1.00 1.45 C ATOM 2493 NZ LYS A 141 7.847 5.792 15.163 1.00 1.92 N ATOM 0 H LYS A 141 5.019 3.967 10.422 1.00 0.37 H new ATOM 0 HA LYS A 141 6.860 2.123 11.759 1.00 0.48 H new ATOM 0 HB2 LYS A 141 6.386 4.599 12.322 1.00 0.69 H new ATOM 0 HB3 LYS A 141 4.811 4.064 12.874 1.00 0.69 H new ATOM 0 HG2 LYS A 141 6.011 4.053 14.849 1.00 0.72 H new ATOM 0 HG3 LYS A 141 6.166 2.380 14.351 1.00 0.72 H new ATOM 0 HD2 LYS A 141 8.361 3.083 14.962 1.00 0.97 H new ATOM 0 HD3 LYS A 141 8.350 3.013 13.211 1.00 0.97 H new ATOM 0 HE2 LYS A 141 9.450 5.069 13.986 1.00 1.45 H new ATOM 0 HE3 LYS A 141 7.999 5.449 13.080 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 8.255 6.748 15.142 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 6.811 5.856 15.105 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 8.115 5.321 16.050 1.00 1.92 H new ATOM 2507 N LYS A 142 5.048 0.656 12.942 1.00 0.44 N ATOM 2508 CA LYS A 142 3.952 -0.133 13.506 1.00 0.43 C ATOM 2509 C LYS A 142 2.945 0.795 14.211 1.00 0.36 C ATOM 2510 O LYS A 142 3.226 1.971 14.429 1.00 0.34 O ATOM 2511 CB LYS A 142 4.506 -1.179 14.480 1.00 0.54 C ATOM 2512 CG LYS A 142 3.469 -2.179 14.973 1.00 0.87 C ATOM 2513 CD LYS A 142 4.102 -3.253 15.841 1.00 1.30 C ATOM 2514 CE LYS A 142 3.061 -4.216 16.387 1.00 1.43 C ATOM 2515 NZ LYS A 142 3.676 -5.278 17.224 1.00 2.13 N ATOM 0 H LYS A 142 5.979 0.409 13.279 1.00 0.44 H new ATOM 0 HA LYS A 142 3.433 -0.655 12.702 1.00 0.43 H new ATOM 0 HB2 LYS A 142 5.315 -1.722 13.992 1.00 0.54 H new ATOM 0 HB3 LYS A 142 4.939 -0.667 15.339 1.00 0.54 H new ATOM 0 HG2 LYS A 142 2.699 -1.657 15.541 1.00 0.87 H new ATOM 0 HG3 LYS A 142 2.975 -2.643 14.120 1.00 0.87 H new ATOM 0 HD2 LYS A 142 4.839 -3.805 15.258 1.00 1.30 H new ATOM 0 HD3 LYS A 142 4.635 -2.785 16.669 1.00 1.30 H new ATOM 0 HE2 LYS A 142 2.331 -3.664 16.979 1.00 1.43 H new ATOM 0 HE3 LYS A 142 2.520 -4.674 15.559 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 2.934 -5.915 17.578 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 4.354 -5.821 16.653 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 4.171 -4.843 18.028 1.00 2.13 H new ATOM 2529 N GLN A 143 1.731 0.319 14.444 1.00 0.44 N ATOM 2530 CA GLN A 143 0.810 1.022 15.332 1.00 0.53 C ATOM 2531 C GLN A 143 1.321 1.066 16.765 1.00 0.68 C ATOM 2532 O GLN A 143 1.346 0.010 17.425 1.00 1.46 O ATOM 2533 CB GLN A 143 -0.573 0.383 15.290 1.00 0.55 C ATOM 2534 CG GLN A 143 -1.365 0.767 14.059 1.00 0.63 C ATOM 2535 CD GLN A 143 -1.665 2.247 14.004 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -1.814 2.904 15.033 1.00 1.34 O ATOM 2537 NE2 GLN A 143 -1.735 2.787 12.804 1.00 1.28 N ATOM 2538 OXT GLN A 143 1.668 2.169 17.237 1.00 1.19 O ATOM 0 H GLN A 143 1.361 -0.540 14.037 1.00 0.44 H new ATOM 0 HA GLN A 143 0.740 2.049 14.972 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -0.467 -0.701 15.324 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -1.130 0.677 16.180 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -0.808 0.479 13.168 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -2.301 0.209 14.044 1.00 0.63 H new ATOM 0 HE21 GLN A 143 -1.605 2.207 11.975 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -1.919 3.785 12.704 1.00 1.28 H new