USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=44 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 124 TYR OH : rot 165:sc= 0.582 USER MOD Set 1.2: A 141 LYS NZ :NH3+ 178:sc= 1.65 (180deg=0.841) USER MOD Set 2.1: A 104 HIS : no HE2:sc= -2.32 K(o=-2.5,f=-10!) USER MOD Set 2.2: A 116 TYR OH : rot 180:sc= -0.166 USER MOD Set 3.1: A 86 THR OG1 : rot -132:sc= 1.27 USER MOD Set 3.2: A 88 HIS : no HE2:sc= -2.17 K(o=-0.9,f=-2.4) USER MOD Set 4.1: A 43 LYS NZ :NH3+ 170:sc= -0.385 (180deg=0.000189) USER MOD Set 4.2: A 58 MET CE :methyl 162:sc= -2.26! (180deg=-1.98!) USER MOD Set 4.3: A 60 ASN : amide:sc= -1.35 K(o=-5.7,f=-10!) USER MOD Set 4.4: A 67 THR OG1 : rot -147:sc= -1.18 USER MOD Set 4.5: A 118 TYR OH : rot -152:sc= 0.932 USER MOD Set 4.6: A 127 MET CE :methyl -139:sc= -1.43 (180deg=-1.98!) USER MOD Set 5.1: A 63 THR OG1 : rot 180:sc= -0.0679 USER MOD Set 5.2: A 64 LYS NZ :NH3+ -173:sc=-8.6e-05 (180deg=-0.0647) USER MOD Set 6.1: A 10 THR OG1 : rot 16:sc= -2.18! USER MOD Set 6.2: A 44 LYS NZ :NH3+ -144:sc= -0.16 (180deg=-1.06) USER MOD Set 6.3: A 143 GLN : amide:sc= -3.87! K(o=-6.2!,f=-3) USER MOD Single : A 2 THR OG1 : rot -54:sc= 1.3 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 1.13 K(o=1.1,f=-2.3) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.274 USER MOD Single : A 24 LYS NZ :NH3+ 142:sc= 0.994 (180deg=-0.11) USER MOD Single : A 28 TYR OH : rot -165:sc= 1.11 USER MOD Single : A 32 MET CE :methyl -168:sc= -0.756 (180deg=-1.2) USER MOD Single : A 34 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : A 37 LYS NZ :NH3+ -149:sc= 1.21 (180deg=0.918) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 170:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= -0.0726 (180deg=-0.324) USER MOD Single : A 56 TYR OH : rot 91:sc= -0.0545 USER MOD Single : A 62 THR OG1 : rot -78:sc= 1.58 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -1.63! C(o=-1.6!,f=-6.8!) USER MOD Single : A 69 HIS : no HD1:sc= -3.56! C(o=-2.9!,f=-7.1!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -4.35! K(o=-4.3!,f=-0.18) USER MOD Single : A 89 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.17) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0887 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=-0.053) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0082 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 162:sc= 1.24 (180deg=1.2) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.00332 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0917) USER MOD Single : A 129 MET CE :methyl 168:sc= -1.59 (180deg=-2.54!) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0709) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 79:sc= 1.25 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 140 TYR OH : rot 180:sc= -0.0597 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 210 N THR A 2 1.870 -18.832 0.713 1.00 0.86 N ATOM 211 CA THR A 2 1.239 -18.205 1.851 1.00 0.81 C ATOM 212 C THR A 2 1.995 -16.941 2.237 1.00 0.66 C ATOM 213 O THR A 2 3.227 -16.936 2.285 1.00 0.64 O ATOM 214 CB THR A 2 1.173 -19.160 3.051 1.00 0.86 C ATOM 215 OG1 THR A 2 0.871 -20.489 2.601 1.00 0.99 O ATOM 216 CG2 THR A 2 0.097 -18.706 4.018 1.00 0.92 C ATOM 0 HA THR A 2 0.219 -17.946 1.568 1.00 0.81 H new ATOM 0 HB THR A 2 2.139 -19.155 3.555 1.00 0.86 H new ATOM 0 HG1 THR A 2 0.056 -20.473 2.057 1.00 0.99 H new ATOM 0 HG21 THR A 2 0.058 -19.390 4.866 1.00 0.92 H new ATOM 0 HG22 THR A 2 0.327 -17.701 4.372 1.00 0.92 H new ATOM 0 HG23 THR A 2 -0.868 -18.700 3.512 1.00 0.92 H new ATOM 224 N LEU A 3 1.246 -15.872 2.482 1.00 0.59 N ATOM 225 CA LEU A 3 1.827 -14.585 2.840 1.00 0.50 C ATOM 226 C LEU A 3 2.656 -14.707 4.113 1.00 0.49 C ATOM 227 O LEU A 3 2.133 -15.094 5.161 1.00 0.53 O ATOM 228 CB LEU A 3 0.724 -13.549 3.068 1.00 0.49 C ATOM 229 CG LEU A 3 0.879 -12.217 2.331 1.00 0.35 C ATOM 230 CD1 LEU A 3 0.047 -11.154 3.006 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.324 -11.773 2.268 1.00 0.49 C ATOM 0 H LEU A 3 0.227 -15.873 2.438 1.00 0.59 H new ATOM 0 HA LEU A 3 2.468 -14.266 2.018 1.00 0.50 H new ATOM 0 HB2 LEU A 3 -0.227 -13.993 2.775 1.00 0.49 H new ATOM 0 HB3 LEU A 3 0.664 -13.343 4.137 1.00 0.49 H new ATOM 0 HG LEU A 3 0.530 -12.364 1.309 1.00 0.35 H new ATOM 0 HD11 LEU A 3 0.163 -10.209 2.475 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -1.002 -11.451 2.994 1.00 0.51 H new ATOM 0 HD13 LEU A 3 0.378 -11.033 4.038 1.00 0.51 H new ATOM 0 HD21 LEU A 3 2.390 -10.824 1.737 1.00 0.49 H new ATOM 0 HD22 LEU A 3 2.711 -11.651 3.279 1.00 0.49 H new ATOM 0 HD23 LEU A 3 2.913 -12.525 1.742 1.00 0.49 H new ATOM 243 N PRO A 4 3.958 -14.396 4.032 1.00 0.50 N ATOM 244 CA PRO A 4 4.830 -14.350 5.205 1.00 0.54 C ATOM 245 C PRO A 4 4.299 -13.362 6.235 1.00 0.47 C ATOM 246 O PRO A 4 3.979 -12.218 5.903 1.00 0.42 O ATOM 247 CB PRO A 4 6.175 -13.869 4.648 1.00 0.60 C ATOM 248 CG PRO A 4 6.123 -14.170 3.189 1.00 0.61 C ATOM 249 CD PRO A 4 4.678 -14.070 2.792 1.00 0.52 C ATOM 0 HA PRO A 4 4.900 -15.313 5.711 1.00 0.54 H new ATOM 0 HB2 PRO A 4 6.316 -12.803 4.825 1.00 0.60 H new ATOM 0 HB3 PRO A 4 7.007 -14.385 5.127 1.00 0.60 H new ATOM 0 HG2 PRO A 4 6.732 -13.464 2.624 1.00 0.61 H new ATOM 0 HG3 PRO A 4 6.515 -15.166 2.983 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.428 -13.071 2.434 1.00 0.52 H new ATOM 0 HD3 PRO A 4 4.433 -14.767 1.990 1.00 0.52 H new ATOM 257 N ASP A 5 4.210 -13.812 7.482 1.00 0.51 N ATOM 258 CA ASP A 5 3.621 -13.018 8.561 1.00 0.51 C ATOM 259 C ASP A 5 4.358 -11.704 8.779 1.00 0.45 C ATOM 260 O ASP A 5 3.811 -10.772 9.362 1.00 0.44 O ATOM 261 CB ASP A 5 3.594 -13.818 9.864 1.00 0.63 C ATOM 262 CG ASP A 5 2.572 -14.935 9.852 1.00 1.50 C ATOM 263 OD1 ASP A 5 1.491 -14.764 10.452 1.00 2.09 O ATOM 264 OD2 ASP A 5 2.832 -15.982 9.223 1.00 2.19 O ATOM 0 H ASP A 5 4.541 -14.731 7.775 1.00 0.51 H new ATOM 0 HA ASP A 5 2.601 -12.780 8.258 1.00 0.51 H new ATOM 0 HB2 ASP A 5 4.583 -14.240 10.045 1.00 0.63 H new ATOM 0 HB3 ASP A 5 3.378 -13.144 10.693 1.00 0.63 H new ATOM 269 N LYS A 6 5.600 -11.625 8.316 1.00 0.45 N ATOM 270 CA LYS A 6 6.374 -10.395 8.422 1.00 0.45 C ATOM 271 C LYS A 6 5.851 -9.306 7.483 1.00 0.38 C ATOM 272 O LYS A 6 6.312 -8.170 7.535 1.00 0.42 O ATOM 273 CB LYS A 6 7.854 -10.660 8.153 1.00 0.56 C ATOM 274 CG LYS A 6 8.530 -11.456 9.257 1.00 1.10 C ATOM 275 CD LYS A 6 10.019 -11.627 9.006 1.00 1.64 C ATOM 276 CE LYS A 6 10.294 -12.430 7.746 1.00 2.01 C ATOM 277 NZ LYS A 6 11.744 -12.694 7.569 1.00 2.53 N ATOM 0 H LYS A 6 6.091 -12.396 7.865 1.00 0.45 H new ATOM 0 HA LYS A 6 6.260 -10.033 9.444 1.00 0.45 H new ATOM 0 HB2 LYS A 6 7.955 -11.199 7.211 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.371 -9.708 8.032 1.00 0.56 H new ATOM 0 HG2 LYS A 6 8.379 -10.952 10.212 1.00 1.10 H new ATOM 0 HG3 LYS A 6 8.061 -12.437 9.336 1.00 1.10 H new ATOM 0 HD2 LYS A 6 10.487 -10.646 8.921 1.00 1.64 H new ATOM 0 HD3 LYS A 6 10.476 -12.125 9.861 1.00 1.64 H new ATOM 0 HE2 LYS A 6 9.755 -13.376 7.792 1.00 2.01 H new ATOM 0 HE3 LYS A 6 9.914 -11.889 6.879 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 11.893 -13.244 6.699 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 12.255 -11.791 7.500 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 12.101 -13.232 8.384 1.00 2.53 H new ATOM 291 N PHE A 7 4.902 -9.646 6.617 1.00 0.36 N ATOM 292 CA PHE A 7 4.226 -8.639 5.806 1.00 0.35 C ATOM 293 C PHE A 7 2.956 -8.189 6.506 1.00 0.32 C ATOM 294 O PHE A 7 2.295 -7.252 6.067 1.00 0.35 O ATOM 295 CB PHE A 7 3.853 -9.185 4.422 1.00 0.39 C ATOM 296 CG PHE A 7 4.971 -9.186 3.418 1.00 0.42 C ATOM 297 CD1 PHE A 7 5.493 -7.993 2.946 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.483 -10.376 2.928 1.00 0.48 C ATOM 299 CE1 PHE A 7 6.507 -7.988 2.009 1.00 0.60 C ATOM 300 CE2 PHE A 7 6.499 -10.377 1.992 1.00 0.54 C ATOM 301 CZ PHE A 7 7.011 -9.181 1.532 1.00 0.57 C ATOM 0 H PHE A 7 4.585 -10.603 6.459 1.00 0.36 H new ATOM 0 HA PHE A 7 4.913 -7.803 5.678 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.487 -10.205 4.537 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.028 -8.593 4.025 1.00 0.39 H new ATOM 0 HD1 PHE A 7 5.102 -7.056 3.315 1.00 0.52 H new ATOM 0 HD2 PHE A 7 5.083 -11.315 3.282 1.00 0.48 H new ATOM 0 HE1 PHE A 7 6.906 -7.051 1.649 1.00 0.60 H new ATOM 0 HE2 PHE A 7 6.892 -11.312 1.621 1.00 0.54 H new ATOM 0 HZ PHE A 7 7.805 -9.179 0.800 1.00 0.57 H new ATOM 311 N LEU A 8 2.630 -8.857 7.602 1.00 0.30 N ATOM 312 CA LEU A 8 1.358 -8.658 8.268 1.00 0.29 C ATOM 313 C LEU A 8 1.501 -7.758 9.487 1.00 0.29 C ATOM 314 O LEU A 8 2.581 -7.627 10.067 1.00 0.33 O ATOM 315 CB LEU A 8 0.771 -10.007 8.671 1.00 0.34 C ATOM 316 CG LEU A 8 0.519 -10.970 7.511 1.00 0.37 C ATOM 317 CD1 LEU A 8 0.035 -12.312 8.025 1.00 0.46 C ATOM 318 CD2 LEU A 8 -0.488 -10.378 6.540 1.00 0.35 C ATOM 0 H LEU A 8 3.235 -9.545 8.049 1.00 0.30 H new ATOM 0 HA LEU A 8 0.683 -8.163 7.571 1.00 0.29 H new ATOM 0 HB2 LEU A 8 1.447 -10.484 9.380 1.00 0.34 H new ATOM 0 HB3 LEU A 8 -0.170 -9.836 9.194 1.00 0.34 H new ATOM 0 HG LEU A 8 1.460 -11.125 6.983 1.00 0.37 H new ATOM 0 HD11 LEU A 8 -0.138 -12.983 7.184 1.00 0.46 H new ATOM 0 HD12 LEU A 8 0.789 -12.743 8.683 1.00 0.46 H new ATOM 0 HD13 LEU A 8 -0.894 -12.176 8.578 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -0.656 -11.076 5.720 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -1.429 -10.194 7.059 1.00 0.35 H new ATOM 0 HD23 LEU A 8 -0.102 -9.439 6.144 1.00 0.35 H new ATOM 330 N GLY A 9 0.391 -7.149 9.859 1.00 0.32 N ATOM 331 CA GLY A 9 0.363 -6.254 10.991 1.00 0.33 C ATOM 332 C GLY A 9 -0.321 -4.953 10.646 1.00 0.31 C ATOM 333 O GLY A 9 -1.247 -4.929 9.837 1.00 0.52 O ATOM 0 H GLY A 9 -0.507 -7.262 9.388 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.157 -6.731 11.822 1.00 0.33 H new ATOM 0 HA3 GLY A 9 1.381 -6.054 11.325 1.00 0.33 H new ATOM 337 N THR A 10 0.125 -3.870 11.249 1.00 0.34 N ATOM 338 CA THR A 10 -0.434 -2.568 10.954 1.00 0.35 C ATOM 339 C THR A 10 0.594 -1.485 11.227 1.00 0.32 C ATOM 340 O THR A 10 1.376 -1.576 12.172 1.00 0.40 O ATOM 341 CB THR A 10 -1.706 -2.311 11.778 1.00 0.38 C ATOM 342 OG1 THR A 10 -2.395 -1.146 11.310 1.00 1.05 O ATOM 343 CG2 THR A 10 -1.373 -2.150 13.239 1.00 0.99 C ATOM 0 H THR A 10 0.871 -3.866 11.945 1.00 0.34 H new ATOM 0 HA THR A 10 -0.705 -2.546 9.898 1.00 0.35 H new ATOM 0 HB THR A 10 -2.358 -3.176 11.656 1.00 0.38 H new ATOM 0 HG1 THR A 10 -2.061 -0.903 10.421 1.00 1.05 H new ATOM 0 HG21 THR A 10 -2.288 -1.969 13.803 1.00 0.99 H new ATOM 0 HG22 THR A 10 -0.895 -3.058 13.605 1.00 0.99 H new ATOM 0 HG23 THR A 10 -0.695 -1.306 13.367 1.00 0.99 H new ATOM 351 N PHE A 11 0.612 -0.483 10.375 1.00 0.27 N ATOM 352 CA PHE A 11 1.605 0.569 10.471 1.00 0.27 C ATOM 353 C PHE A 11 0.978 1.950 10.380 1.00 0.28 C ATOM 354 O PHE A 11 0.098 2.188 9.549 1.00 0.32 O ATOM 355 CB PHE A 11 2.645 0.404 9.350 1.00 0.31 C ATOM 356 CG PHE A 11 3.336 -0.936 9.333 1.00 0.33 C ATOM 357 CD1 PHE A 11 4.581 -1.099 9.920 1.00 0.42 C ATOM 358 CD2 PHE A 11 2.739 -2.031 8.730 1.00 0.38 C ATOM 359 CE1 PHE A 11 5.218 -2.325 9.903 1.00 0.47 C ATOM 360 CE2 PHE A 11 3.369 -3.261 8.710 1.00 0.43 C ATOM 361 CZ PHE A 11 4.610 -3.409 9.301 1.00 0.44 C ATOM 0 H PHE A 11 -0.050 -0.373 9.607 1.00 0.27 H new ATOM 0 HA PHE A 11 2.085 0.482 11.446 1.00 0.27 H new ATOM 0 HB2 PHE A 11 2.153 0.558 8.389 1.00 0.31 H new ATOM 0 HB3 PHE A 11 3.398 1.186 9.451 1.00 0.31 H new ATOM 0 HD1 PHE A 11 5.060 -0.256 10.397 1.00 0.42 H new ATOM 0 HD2 PHE A 11 1.768 -1.922 8.269 1.00 0.38 H new ATOM 0 HE1 PHE A 11 6.190 -2.435 10.360 1.00 0.47 H new ATOM 0 HE2 PHE A 11 2.893 -4.105 8.234 1.00 0.43 H new ATOM 0 HZ PHE A 11 5.103 -4.370 9.292 1.00 0.44 H new ATOM 371 N LYS A 12 1.417 2.846 11.264 1.00 0.29 N ATOM 372 CA LYS A 12 1.178 4.275 11.090 1.00 0.33 C ATOM 373 C LYS A 12 2.120 4.813 10.002 1.00 0.27 C ATOM 374 O LYS A 12 2.703 4.046 9.236 1.00 0.69 O ATOM 375 CB LYS A 12 1.457 5.022 12.394 1.00 0.48 C ATOM 376 CG LYS A 12 0.851 4.378 13.619 1.00 0.78 C ATOM 377 CD LYS A 12 1.201 5.141 14.886 1.00 1.28 C ATOM 378 CE LYS A 12 2.703 5.193 15.114 1.00 1.72 C ATOM 379 NZ LYS A 12 3.051 5.886 16.381 1.00 2.19 N ATOM 0 H LYS A 12 1.939 2.606 12.107 1.00 0.29 H new ATOM 0 HA LYS A 12 0.137 4.427 10.803 1.00 0.33 H new ATOM 0 HB2 LYS A 12 2.536 5.097 12.533 1.00 0.48 H new ATOM 0 HB3 LYS A 12 1.075 6.039 12.306 1.00 0.48 H new ATOM 0 HG2 LYS A 12 -0.232 4.333 13.509 1.00 0.78 H new ATOM 0 HG3 LYS A 12 1.205 3.351 13.703 1.00 0.78 H new ATOM 0 HD2 LYS A 12 0.808 6.155 14.820 1.00 1.28 H new ATOM 0 HD3 LYS A 12 0.719 4.667 15.741 1.00 1.28 H new ATOM 0 HE2 LYS A 12 3.102 4.179 15.134 1.00 1.72 H new ATOM 0 HE3 LYS A 12 3.179 5.706 14.278 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 4.084 5.899 16.497 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 2.694 6.862 16.352 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 2.619 5.383 17.182 1.00 2.19 H new ATOM 393 N LEU A 13 2.320 6.121 9.975 1.00 0.60 N ATOM 394 CA LEU A 13 3.131 6.738 8.937 1.00 0.50 C ATOM 395 C LEU A 13 4.069 7.753 9.574 1.00 0.46 C ATOM 396 O LEU A 13 3.631 8.810 10.031 1.00 0.52 O ATOM 397 CB LEU A 13 2.233 7.421 7.896 1.00 0.52 C ATOM 398 CG LEU A 13 2.860 7.673 6.515 1.00 0.55 C ATOM 399 CD1 LEU A 13 1.822 8.240 5.570 1.00 1.14 C ATOM 400 CD2 LEU A 13 4.045 8.622 6.592 1.00 1.04 C ATOM 0 H LEU A 13 1.934 6.774 10.657 1.00 0.60 H new ATOM 0 HA LEU A 13 3.718 5.971 8.431 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.341 6.810 7.760 1.00 0.52 H new ATOM 0 HB3 LEU A 13 1.905 8.378 8.302 1.00 0.52 H new ATOM 0 HG LEU A 13 3.220 6.714 6.142 1.00 0.55 H new ATOM 0 HD11 LEU A 13 2.275 8.415 4.594 1.00 1.14 H new ATOM 0 HD12 LEU A 13 0.999 7.532 5.466 1.00 1.14 H new ATOM 0 HD13 LEU A 13 1.443 9.181 5.968 1.00 1.14 H new ATOM 0 HD21 LEU A 13 4.457 8.772 5.594 1.00 1.04 H new ATOM 0 HD22 LEU A 13 3.718 9.580 6.997 1.00 1.04 H new ATOM 0 HD23 LEU A 13 4.811 8.196 7.240 1.00 1.04 H new ATOM 412 N GLU A 14 5.352 7.428 9.612 1.00 0.45 N ATOM 413 CA GLU A 14 6.327 8.307 10.230 1.00 0.48 C ATOM 414 C GLU A 14 6.785 9.393 9.259 1.00 0.45 C ATOM 415 O GLU A 14 6.803 10.575 9.607 1.00 0.49 O ATOM 416 CB GLU A 14 7.523 7.498 10.731 1.00 0.55 C ATOM 417 CG GLU A 14 8.455 8.286 11.634 1.00 0.67 C ATOM 418 CD GLU A 14 9.568 7.434 12.200 1.00 1.17 C ATOM 419 OE1 GLU A 14 10.699 7.496 11.668 1.00 2.08 O ATOM 420 OE2 GLU A 14 9.316 6.694 13.174 1.00 1.56 O ATOM 0 H GLU A 14 5.739 6.567 9.224 1.00 0.45 H new ATOM 0 HA GLU A 14 5.852 8.798 11.079 1.00 0.48 H new ATOM 0 HB2 GLU A 14 7.159 6.625 11.272 1.00 0.55 H new ATOM 0 HB3 GLU A 14 8.087 7.130 9.874 1.00 0.55 H new ATOM 0 HG2 GLU A 14 8.886 9.115 11.072 1.00 0.67 H new ATOM 0 HG3 GLU A 14 7.881 8.720 12.453 1.00 0.67 H new ATOM 427 N ARG A 15 7.144 9.002 8.038 1.00 0.42 N ATOM 428 CA ARG A 15 7.650 9.957 7.060 1.00 0.44 C ATOM 429 C ARG A 15 7.619 9.384 5.646 1.00 0.37 C ATOM 430 O ARG A 15 7.137 8.273 5.416 1.00 0.38 O ATOM 431 CB ARG A 15 9.086 10.340 7.403 1.00 0.51 C ATOM 432 CG ARG A 15 10.053 9.178 7.280 1.00 0.53 C ATOM 433 CD ARG A 15 11.491 9.647 7.332 1.00 0.77 C ATOM 434 NE ARG A 15 11.759 10.671 6.322 1.00 1.68 N ATOM 435 CZ ARG A 15 12.735 10.609 5.415 1.00 2.34 C ATOM 436 NH1 ARG A 15 13.593 9.597 5.413 1.00 2.45 N ATOM 437 NH2 ARG A 15 12.855 11.578 4.514 1.00 3.36 N ATOM 0 H ARG A 15 7.094 8.039 7.706 1.00 0.42 H new ATOM 0 HA ARG A 15 7.004 10.834 7.095 1.00 0.44 H new ATOM 0 HB2 ARG A 15 9.409 11.146 6.744 1.00 0.51 H new ATOM 0 HB3 ARG A 15 9.120 10.728 8.421 1.00 0.51 H new ATOM 0 HG2 ARG A 15 9.872 8.466 8.085 1.00 0.53 H new ATOM 0 HG3 ARG A 15 9.874 8.652 6.342 1.00 0.53 H new ATOM 0 HD2 ARG A 15 11.709 10.046 8.323 1.00 0.77 H new ATOM 0 HD3 ARG A 15 12.157 8.798 7.177 1.00 0.77 H new ATOM 0 HE ARG A 15 11.155 11.493 6.311 1.00 1.68 H new ATOM 0 HH11 ARG A 15 13.510 8.857 6.110 1.00 2.45 H new ATOM 0 HH12 ARG A 15 14.336 9.559 4.715 1.00 2.45 H new ATOM 0 HH21 ARG A 15 12.203 12.363 4.519 1.00 3.36 H new ATOM 0 HH22 ARG A 15 13.599 11.537 3.817 1.00 3.36 H new ATOM 451 N ASP A 16 8.168 10.148 4.709 1.00 0.38 N ATOM 452 CA ASP A 16 8.289 9.728 3.319 1.00 0.43 C ATOM 453 C ASP A 16 9.419 10.490 2.654 1.00 0.39 C ATOM 454 O ASP A 16 9.976 11.418 3.244 1.00 0.52 O ATOM 455 CB ASP A 16 6.982 9.934 2.537 1.00 0.66 C ATOM 456 CG ASP A 16 6.561 11.390 2.413 1.00 0.68 C ATOM 457 OD1 ASP A 16 5.524 11.778 2.995 1.00 1.19 O ATOM 458 OD2 ASP A 16 7.291 12.161 1.754 1.00 0.72 O ATOM 0 H ASP A 16 8.543 11.079 4.893 1.00 0.38 H new ATOM 0 HA ASP A 16 8.506 8.660 3.311 1.00 0.43 H new ATOM 0 HB2 ASP A 16 7.098 9.513 1.538 1.00 0.66 H new ATOM 0 HB3 ASP A 16 6.185 9.376 3.028 1.00 0.66 H new ATOM 463 N GLU A 17 9.755 10.107 1.433 1.00 0.36 N ATOM 464 CA GLU A 17 10.845 10.737 0.716 1.00 0.38 C ATOM 465 C GLU A 17 10.524 10.844 -0.772 1.00 0.40 C ATOM 466 O GLU A 17 10.398 9.824 -1.447 1.00 0.83 O ATOM 467 CB GLU A 17 12.123 9.929 0.916 1.00 0.48 C ATOM 468 CG GLU A 17 13.373 10.650 0.461 1.00 1.18 C ATOM 469 CD GLU A 17 13.647 11.893 1.280 1.00 1.83 C ATOM 470 OE1 GLU A 17 13.110 12.965 0.931 1.00 2.66 O ATOM 471 OE2 GLU A 17 14.404 11.809 2.269 1.00 2.13 O ATOM 0 H GLU A 17 9.286 9.361 0.919 1.00 0.36 H new ATOM 0 HA GLU A 17 10.985 11.744 1.109 1.00 0.38 H new ATOM 0 HB2 GLU A 17 12.223 9.678 1.972 1.00 0.48 H new ATOM 0 HB3 GLU A 17 12.037 8.989 0.371 1.00 0.48 H new ATOM 0 HG2 GLU A 17 14.226 9.975 0.532 1.00 1.18 H new ATOM 0 HG3 GLU A 17 13.270 10.924 -0.589 1.00 1.18 H new ATOM 478 N ASN A 18 10.380 12.081 -1.261 1.00 0.34 N ATOM 479 CA ASN A 18 10.164 12.367 -2.693 1.00 0.30 C ATOM 480 C ASN A 18 8.734 12.008 -3.119 1.00 0.28 C ATOM 481 O ASN A 18 8.441 11.808 -4.303 1.00 0.27 O ATOM 482 CB ASN A 18 11.186 11.609 -3.555 1.00 0.32 C ATOM 483 CG ASN A 18 11.397 12.244 -4.916 1.00 0.42 C ATOM 484 OD1 ASN A 18 11.352 13.463 -5.055 1.00 0.76 O ATOM 485 ND2 ASN A 18 11.630 11.420 -5.925 1.00 0.66 N ATOM 0 H ASN A 18 10.409 12.917 -0.677 1.00 0.34 H new ATOM 0 HA ASN A 18 10.304 13.437 -2.846 1.00 0.30 H new ATOM 0 HB2 ASN A 18 12.139 11.568 -3.027 1.00 0.32 H new ATOM 0 HB3 ASN A 18 10.850 10.581 -3.688 1.00 0.32 H new ATOM 0 HD21 ASN A 18 11.781 11.792 -6.863 1.00 0.66 H new ATOM 0 HD22 ASN A 18 11.659 10.413 -5.765 1.00 0.66 H new ATOM 492 N PHE A 19 7.841 11.971 -2.142 1.00 0.30 N ATOM 493 CA PHE A 19 6.468 11.539 -2.375 1.00 0.31 C ATOM 494 C PHE A 19 5.680 12.609 -3.127 1.00 0.31 C ATOM 495 O PHE A 19 4.847 12.298 -3.978 1.00 0.32 O ATOM 496 CB PHE A 19 5.788 11.200 -1.046 1.00 0.37 C ATOM 497 CG PHE A 19 4.428 10.581 -1.202 1.00 0.36 C ATOM 498 CD1 PHE A 19 4.296 9.257 -1.583 1.00 0.45 C ATOM 499 CD2 PHE A 19 3.285 11.324 -0.966 1.00 0.45 C ATOM 500 CE1 PHE A 19 3.047 8.686 -1.728 1.00 0.49 C ATOM 501 CE2 PHE A 19 2.033 10.759 -1.107 1.00 0.48 C ATOM 502 CZ PHE A 19 1.914 9.437 -1.491 1.00 0.44 C ATOM 0 H PHE A 19 8.041 12.235 -1.177 1.00 0.30 H new ATOM 0 HA PHE A 19 6.490 10.642 -2.994 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.426 10.516 -0.486 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.697 12.110 -0.452 1.00 0.37 H new ATOM 0 HD1 PHE A 19 5.179 8.664 -1.769 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.373 12.358 -0.668 1.00 0.45 H new ATOM 0 HE1 PHE A 19 2.957 7.652 -2.027 1.00 0.49 H new ATOM 0 HE2 PHE A 19 1.149 11.349 -0.918 1.00 0.48 H new ATOM 0 HZ PHE A 19 0.936 8.993 -1.605 1.00 0.44 H new ATOM 512 N ASP A 20 5.944 13.871 -2.808 1.00 0.33 N ATOM 513 CA ASP A 20 5.300 14.992 -3.489 1.00 0.37 C ATOM 514 C ASP A 20 5.597 14.968 -4.989 1.00 0.33 C ATOM 515 O ASP A 20 4.690 15.103 -5.815 1.00 0.33 O ATOM 516 CB ASP A 20 5.772 16.312 -2.886 1.00 0.46 C ATOM 517 CG ASP A 20 5.013 17.500 -3.435 1.00 1.08 C ATOM 518 OD1 ASP A 20 5.616 18.312 -4.166 1.00 1.22 O ATOM 519 OD2 ASP A 20 3.815 17.641 -3.119 1.00 2.04 O ATOM 0 H ASP A 20 6.602 14.146 -2.079 1.00 0.33 H new ATOM 0 HA ASP A 20 4.223 14.898 -3.352 1.00 0.37 H new ATOM 0 HB2 ASP A 20 5.653 16.277 -1.803 1.00 0.46 H new ATOM 0 HB3 ASP A 20 6.836 16.440 -3.086 1.00 0.46 H new ATOM 524 N GLU A 21 6.872 14.794 -5.334 1.00 0.34 N ATOM 525 CA GLU A 21 7.282 14.677 -6.733 1.00 0.35 C ATOM 526 C GLU A 21 6.543 13.540 -7.425 1.00 0.31 C ATOM 527 O GLU A 21 6.135 13.664 -8.581 1.00 0.34 O ATOM 528 CB GLU A 21 8.786 14.457 -6.847 1.00 0.41 C ATOM 529 CG GLU A 21 9.606 15.679 -6.488 1.00 0.51 C ATOM 530 CD GLU A 21 9.332 16.862 -7.397 1.00 1.14 C ATOM 531 OE1 GLU A 21 9.804 16.854 -8.552 1.00 1.65 O ATOM 532 OE2 GLU A 21 8.662 17.816 -6.962 1.00 1.79 O ATOM 0 H GLU A 21 7.639 14.731 -4.664 1.00 0.34 H new ATOM 0 HA GLU A 21 7.027 15.615 -7.227 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.075 13.632 -6.196 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.025 14.156 -7.867 1.00 0.41 H new ATOM 0 HG2 GLU A 21 9.394 15.963 -5.457 1.00 0.51 H new ATOM 0 HG3 GLU A 21 10.665 15.427 -6.538 1.00 0.51 H new ATOM 539 N TYR A 22 6.371 12.431 -6.710 1.00 0.29 N ATOM 540 CA TYR A 22 5.614 11.298 -7.229 1.00 0.28 C ATOM 541 C TYR A 22 4.190 11.716 -7.604 1.00 0.30 C ATOM 542 O TYR A 22 3.647 11.267 -8.612 1.00 0.33 O ATOM 543 CB TYR A 22 5.576 10.169 -6.197 1.00 0.30 C ATOM 544 CG TYR A 22 4.777 8.960 -6.635 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.465 8.783 -6.219 1.00 0.41 C ATOM 546 CD2 TYR A 22 5.335 8.001 -7.470 1.00 0.38 C ATOM 547 CE1 TYR A 22 2.733 7.683 -6.622 1.00 0.48 C ATOM 548 CE2 TYR A 22 4.608 6.898 -7.875 1.00 0.44 C ATOM 549 CZ TYR A 22 3.312 6.735 -7.432 1.00 0.50 C ATOM 550 OH TYR A 22 2.579 5.650 -7.856 1.00 0.57 O ATOM 0 H TYR A 22 6.745 12.294 -5.771 1.00 0.29 H new ATOM 0 HA TYR A 22 6.114 10.940 -8.129 1.00 0.28 H new ATOM 0 HB2 TYR A 22 6.597 9.857 -5.978 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.154 10.554 -5.269 1.00 0.30 H new ATOM 0 HD1 TYR A 22 3.009 9.516 -5.570 1.00 0.41 H new ATOM 0 HD2 TYR A 22 6.354 8.119 -7.808 1.00 0.38 H new ATOM 0 HE1 TYR A 22 1.708 7.568 -6.301 1.00 0.48 H new ATOM 0 HE2 TYR A 22 5.052 6.167 -8.535 1.00 0.44 H new ATOM 0 HH TYR A 22 3.139 5.078 -8.422 1.00 0.57 H new ATOM 560 N LEU A 23 3.599 12.592 -6.799 1.00 0.28 N ATOM 561 CA LEU A 23 2.237 13.058 -7.038 1.00 0.30 C ATOM 562 C LEU A 23 2.166 13.879 -8.317 1.00 0.34 C ATOM 563 O LEU A 23 1.208 13.775 -9.084 1.00 0.37 O ATOM 564 CB LEU A 23 1.746 13.894 -5.862 1.00 0.30 C ATOM 565 CG LEU A 23 1.639 13.144 -4.541 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.185 14.077 -3.435 1.00 0.33 C ATOM 567 CD2 LEU A 23 0.679 11.977 -4.683 1.00 0.32 C ATOM 0 H LEU A 23 4.042 12.995 -5.973 1.00 0.28 H new ATOM 0 HA LEU A 23 1.595 12.184 -7.146 1.00 0.30 H new ATOM 0 HB2 LEU A 23 2.421 14.739 -5.729 1.00 0.30 H new ATOM 0 HB3 LEU A 23 0.767 14.304 -6.110 1.00 0.30 H new ATOM 0 HG LEU A 23 2.623 12.757 -4.276 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.114 13.524 -2.499 1.00 0.33 H new ATOM 0 HD12 LEU A 23 1.905 14.887 -3.324 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.209 14.491 -3.686 1.00 0.33 H new ATOM 0 HD21 LEU A 23 0.609 11.446 -3.734 1.00 0.32 H new ATOM 0 HD22 LEU A 23 -0.306 12.349 -4.965 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.044 11.297 -5.453 1.00 0.32 H new ATOM 579 N LYS A 24 3.195 14.686 -8.540 1.00 0.34 N ATOM 580 CA LYS A 24 3.294 15.487 -9.753 1.00 0.39 C ATOM 581 C LYS A 24 3.370 14.573 -10.969 1.00 0.40 C ATOM 582 O LYS A 24 2.690 14.788 -11.972 1.00 0.44 O ATOM 583 CB LYS A 24 4.535 16.382 -9.685 1.00 0.41 C ATOM 584 CG LYS A 24 4.458 17.441 -8.596 1.00 0.45 C ATOM 585 CD LYS A 24 5.814 18.070 -8.317 1.00 0.55 C ATOM 586 CE LYS A 24 6.441 18.670 -9.565 1.00 1.35 C ATOM 587 NZ LYS A 24 7.768 19.270 -9.273 1.00 1.88 N ATOM 0 H LYS A 24 3.976 14.803 -7.894 1.00 0.34 H new ATOM 0 HA LYS A 24 2.410 16.118 -9.841 1.00 0.39 H new ATOM 0 HB2 LYS A 24 5.414 15.760 -9.515 1.00 0.41 H new ATOM 0 HB3 LYS A 24 4.673 16.872 -10.649 1.00 0.41 H new ATOM 0 HG2 LYS A 24 3.753 18.217 -8.894 1.00 0.45 H new ATOM 0 HG3 LYS A 24 4.071 16.993 -7.681 1.00 0.45 H new ATOM 0 HD2 LYS A 24 5.703 18.846 -7.560 1.00 0.55 H new ATOM 0 HD3 LYS A 24 6.484 17.316 -7.904 1.00 0.55 H new ATOM 0 HE2 LYS A 24 6.549 17.898 -10.326 1.00 1.35 H new ATOM 0 HE3 LYS A 24 5.779 19.432 -9.976 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 8.414 19.087 -10.067 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 7.664 20.296 -9.142 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 8.157 18.848 -8.406 1.00 1.88 H new ATOM 601 N ALA A 25 4.196 13.545 -10.852 1.00 0.40 N ATOM 602 CA ALA A 25 4.330 12.534 -11.890 1.00 0.43 C ATOM 603 C ALA A 25 2.995 11.840 -12.150 1.00 0.43 C ATOM 604 O ALA A 25 2.623 11.597 -13.297 1.00 0.44 O ATOM 605 CB ALA A 25 5.384 11.516 -11.490 1.00 0.43 C ATOM 0 H ALA A 25 4.790 13.388 -10.038 1.00 0.40 H new ATOM 0 HA ALA A 25 4.641 13.025 -12.812 1.00 0.43 H new ATOM 0 HB1 ALA A 25 5.478 10.763 -12.272 1.00 0.43 H new ATOM 0 HB2 ALA A 25 6.342 12.018 -11.353 1.00 0.43 H new ATOM 0 HB3 ALA A 25 5.090 11.035 -10.557 1.00 0.43 H new ATOM 611 N ARG A 26 2.270 11.551 -11.073 1.00 0.43 N ATOM 612 CA ARG A 26 0.981 10.866 -11.163 1.00 0.45 C ATOM 613 C ARG A 26 -0.067 11.724 -11.865 1.00 0.47 C ATOM 614 O ARG A 26 -1.110 11.225 -12.280 1.00 0.51 O ATOM 615 CB ARG A 26 0.477 10.480 -9.770 1.00 0.48 C ATOM 616 CG ARG A 26 1.237 9.328 -9.134 1.00 0.85 C ATOM 617 CD ARG A 26 1.001 8.017 -9.870 1.00 0.72 C ATOM 618 NE ARG A 26 -0.391 7.571 -9.780 1.00 0.76 N ATOM 619 CZ ARG A 26 -1.189 7.399 -10.834 1.00 0.78 C ATOM 620 NH1 ARG A 26 -0.752 7.669 -12.059 1.00 1.29 N ATOM 621 NH2 ARG A 26 -2.427 6.958 -10.661 1.00 1.06 N ATOM 0 H ARG A 26 2.555 11.782 -10.121 1.00 0.43 H new ATOM 0 HA ARG A 26 1.137 9.964 -11.755 1.00 0.45 H new ATOM 0 HB2 ARG A 26 0.544 11.350 -9.117 1.00 0.48 H new ATOM 0 HB3 ARG A 26 -0.577 10.212 -9.838 1.00 0.48 H new ATOM 0 HG2 ARG A 26 2.303 9.555 -9.130 1.00 0.85 H new ATOM 0 HG3 ARG A 26 0.930 9.221 -8.094 1.00 0.85 H new ATOM 0 HD2 ARG A 26 1.274 8.137 -10.918 1.00 0.72 H new ATOM 0 HD3 ARG A 26 1.654 7.248 -9.456 1.00 0.72 H new ATOM 0 HE ARG A 26 -0.774 7.380 -8.854 1.00 0.76 H new ATOM 0 HH11 ARG A 26 0.199 8.010 -12.197 1.00 1.29 H new ATOM 0 HH12 ARG A 26 -1.368 7.535 -12.861 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -2.768 6.751 -9.722 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -3.039 6.826 -11.467 1.00 1.06 H new ATOM 635 N GLY A 27 0.216 13.011 -11.999 1.00 0.46 N ATOM 636 CA GLY A 27 -0.708 13.902 -12.667 1.00 0.49 C ATOM 637 C GLY A 27 -1.628 14.612 -11.696 1.00 0.50 C ATOM 638 O GLY A 27 -2.677 15.128 -12.089 1.00 0.62 O ATOM 0 H GLY A 27 1.069 13.454 -11.657 1.00 0.46 H new ATOM 0 HA2 GLY A 27 -0.147 14.641 -13.239 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -1.305 13.334 -13.380 1.00 0.49 H new ATOM 642 N TYR A 28 -1.244 14.634 -10.426 1.00 0.48 N ATOM 643 CA TYR A 28 -2.024 15.318 -9.408 1.00 0.53 C ATOM 644 C TYR A 28 -1.628 16.782 -9.332 1.00 0.56 C ATOM 645 O TYR A 28 -0.446 17.112 -9.198 1.00 0.54 O ATOM 646 CB TYR A 28 -1.836 14.661 -8.041 1.00 0.51 C ATOM 647 CG TYR A 28 -2.552 13.339 -7.893 1.00 0.53 C ATOM 648 CD1 TYR A 28 -1.843 12.172 -7.630 1.00 0.52 C ATOM 649 CD2 TYR A 28 -3.931 13.250 -8.035 1.00 0.59 C ATOM 650 CE1 TYR A 28 -2.486 10.958 -7.510 1.00 0.54 C ATOM 651 CE2 TYR A 28 -4.584 12.038 -7.916 1.00 0.63 C ATOM 652 CZ TYR A 28 -3.886 10.918 -7.585 1.00 0.60 C ATOM 653 OH TYR A 28 -4.497 9.686 -7.530 1.00 0.64 O ATOM 0 H TYR A 28 -0.397 14.185 -10.078 1.00 0.48 H new ATOM 0 HA TYR A 28 -3.075 15.245 -9.687 1.00 0.53 H new ATOM 0 HB2 TYR A 28 -0.771 14.508 -7.866 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -2.191 15.344 -7.269 1.00 0.51 H new ATOM 0 HD1 TYR A 28 -0.770 12.217 -7.518 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -4.502 14.143 -8.242 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -1.920 10.051 -7.360 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -5.649 11.980 -8.086 1.00 0.63 H new ATOM 0 HH TYR A 28 -5.426 9.768 -7.831 1.00 0.64 H new ATOM 663 N GLY A 29 -2.622 17.651 -9.421 1.00 0.68 N ATOM 664 CA GLY A 29 -2.378 19.073 -9.348 1.00 0.80 C ATOM 665 C GLY A 29 -2.009 19.524 -7.952 1.00 0.88 C ATOM 666 O GLY A 29 -2.085 18.743 -6.998 1.00 1.54 O ATOM 0 H GLY A 29 -3.601 17.393 -9.544 1.00 0.68 H new ATOM 0 HA2 GLY A 29 -1.575 19.337 -10.036 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -3.268 19.609 -9.677 1.00 0.80 H new ATOM 670 N TRP A 30 -1.628 20.791 -7.837 1.00 0.54 N ATOM 671 CA TRP A 30 -1.173 21.367 -6.577 1.00 0.56 C ATOM 672 C TRP A 30 -2.159 21.094 -5.440 1.00 0.54 C ATOM 673 O TRP A 30 -1.767 20.616 -4.375 1.00 0.52 O ATOM 674 CB TRP A 30 -0.960 22.875 -6.756 1.00 0.65 C ATOM 675 CG TRP A 30 -0.576 23.589 -5.498 1.00 0.75 C ATOM 676 CD1 TRP A 30 0.677 23.722 -4.974 1.00 0.84 C ATOM 677 CD2 TRP A 30 -1.460 24.275 -4.608 1.00 0.86 C ATOM 678 NE1 TRP A 30 0.622 24.447 -3.809 1.00 0.98 N ATOM 679 CE2 TRP A 30 -0.678 24.800 -3.564 1.00 0.99 C ATOM 680 CE3 TRP A 30 -2.838 24.494 -4.596 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -1.234 25.531 -2.517 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -3.388 25.217 -3.559 1.00 1.07 C ATOM 683 CH2 TRP A 30 -2.589 25.728 -2.534 1.00 1.18 C ATOM 0 H TRP A 30 -1.626 21.449 -8.616 1.00 0.54 H new ATOM 0 HA TRP A 30 -0.230 20.894 -6.303 1.00 0.56 H new ATOM 0 HB2 TRP A 30 -0.184 23.036 -7.504 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -1.876 23.317 -7.147 1.00 0.65 H new ATOM 0 HD1 TRP A 30 1.578 23.317 -5.411 1.00 0.84 H new ATOM 0 HE1 TRP A 30 1.421 24.684 -3.221 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -3.463 24.104 -5.386 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -0.620 25.927 -1.722 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -4.454 25.391 -3.539 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -3.050 26.291 -1.736 1.00 1.18 H new ATOM 694 N ILE A 31 -3.435 21.385 -5.681 1.00 0.60 N ATOM 695 CA ILE A 31 -4.479 21.194 -4.681 1.00 0.63 C ATOM 696 C ILE A 31 -4.520 19.763 -4.160 1.00 0.53 C ATOM 697 O ILE A 31 -4.483 19.537 -2.950 1.00 0.51 O ATOM 698 CB ILE A 31 -5.864 21.597 -5.241 1.00 0.76 C ATOM 699 CG1 ILE A 31 -6.158 23.054 -4.898 1.00 1.05 C ATOM 700 CG2 ILE A 31 -6.969 20.687 -4.711 1.00 0.69 C ATOM 701 CD1 ILE A 31 -6.298 23.294 -3.415 1.00 2.16 C ATOM 0 H ILE A 31 -3.772 21.757 -6.569 1.00 0.60 H new ATOM 0 HA ILE A 31 -4.234 21.845 -3.842 1.00 0.63 H new ATOM 0 HB ILE A 31 -5.839 21.483 -6.325 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -5.357 23.682 -5.288 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -7.076 23.361 -5.398 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -7.928 20.999 -5.125 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -6.765 19.657 -5.005 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -7.005 20.753 -3.624 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -6.506 24.349 -3.235 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -7.117 22.690 -3.025 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -5.371 23.016 -2.912 1.00 2.16 H new ATOM 713 N MET A 32 -4.607 18.806 -5.071 1.00 0.48 N ATOM 714 CA MET A 32 -4.632 17.406 -4.694 1.00 0.43 C ATOM 715 C MET A 32 -3.413 17.039 -3.882 1.00 0.38 C ATOM 716 O MET A 32 -3.520 16.328 -2.889 1.00 0.39 O ATOM 717 CB MET A 32 -4.732 16.498 -5.916 1.00 0.48 C ATOM 718 CG MET A 32 -6.136 16.396 -6.475 1.00 0.55 C ATOM 719 SD MET A 32 -7.369 16.059 -5.198 1.00 0.97 S ATOM 720 CE MET A 32 -6.580 14.713 -4.321 1.00 0.48 C ATOM 0 H MET A 32 -4.661 18.976 -6.075 1.00 0.48 H new ATOM 0 HA MET A 32 -5.521 17.257 -4.081 1.00 0.43 H new ATOM 0 HB2 MET A 32 -4.066 16.872 -6.693 1.00 0.48 H new ATOM 0 HB3 MET A 32 -4.382 15.501 -5.649 1.00 0.48 H new ATOM 0 HG2 MET A 32 -6.389 17.326 -6.983 1.00 0.55 H new ATOM 0 HG3 MET A 32 -6.168 15.605 -7.224 1.00 0.55 H new ATOM 0 HE1 MET A 32 -7.297 14.251 -3.642 1.00 0.48 H new ATOM 0 HE2 MET A 32 -6.227 13.970 -5.036 1.00 0.48 H new ATOM 0 HE3 MET A 32 -5.735 15.097 -3.749 1.00 0.48 H new ATOM 730 N ARG A 33 -2.257 17.544 -4.282 1.00 0.39 N ATOM 731 CA ARG A 33 -1.030 17.257 -3.564 1.00 0.41 C ATOM 732 C ARG A 33 -1.089 17.832 -2.156 1.00 0.45 C ATOM 733 O ARG A 33 -0.538 17.256 -1.227 1.00 0.60 O ATOM 734 CB ARG A 33 0.188 17.791 -4.317 1.00 0.49 C ATOM 735 CG ARG A 33 0.312 17.220 -5.719 1.00 0.90 C ATOM 736 CD ARG A 33 1.668 17.506 -6.335 1.00 0.71 C ATOM 737 NE ARG A 33 1.985 18.930 -6.342 1.00 0.77 N ATOM 738 CZ ARG A 33 1.886 19.710 -7.415 1.00 0.99 C ATOM 739 NH1 ARG A 33 1.372 19.240 -8.547 1.00 1.87 N ATOM 740 NH2 ARG A 33 2.286 20.969 -7.348 1.00 1.03 N ATOM 0 H ARG A 33 -2.145 18.150 -5.094 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.927 16.174 -3.491 1.00 0.41 H new ATOM 0 HB2 ARG A 33 0.125 18.878 -4.377 1.00 0.49 H new ATOM 0 HB3 ARG A 33 1.090 17.555 -3.753 1.00 0.49 H new ATOM 0 HG2 ARG A 33 0.149 16.143 -5.687 1.00 0.90 H new ATOM 0 HG3 ARG A 33 -0.469 17.642 -6.352 1.00 0.90 H new ATOM 0 HD2 ARG A 33 2.437 16.968 -5.781 1.00 0.71 H new ATOM 0 HD3 ARG A 33 1.687 17.127 -7.357 1.00 0.71 H new ATOM 0 HE ARG A 33 2.302 19.354 -5.470 1.00 0.77 H new ATOM 0 HH11 ARG A 33 1.049 18.274 -8.598 1.00 1.87 H new ATOM 0 HH12 ARG A 33 1.300 19.846 -9.365 1.00 1.87 H new ATOM 0 HH21 ARG A 33 2.668 21.337 -6.477 1.00 1.03 H new ATOM 0 HH22 ARG A 33 2.213 21.572 -8.168 1.00 1.03 H new ATOM 754 N GLN A 34 -1.804 18.942 -1.988 1.00 0.41 N ATOM 755 CA GLN A 34 -1.942 19.556 -0.670 1.00 0.46 C ATOM 756 C GLN A 34 -2.751 18.647 0.246 1.00 0.47 C ATOM 757 O GLN A 34 -2.641 18.713 1.471 1.00 0.58 O ATOM 758 CB GLN A 34 -2.609 20.931 -0.758 1.00 0.51 C ATOM 759 CG GLN A 34 -1.873 21.929 -1.638 1.00 0.80 C ATOM 760 CD GLN A 34 -0.394 22.036 -1.316 1.00 1.39 C ATOM 761 OE1 GLN A 34 0.011 22.816 -0.454 1.00 1.88 O ATOM 762 NE2 GLN A 34 0.425 21.277 -2.029 1.00 1.97 N ATOM 0 H GLN A 34 -2.292 19.430 -2.739 1.00 0.41 H new ATOM 0 HA GLN A 34 -0.942 19.692 -0.259 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -3.622 20.806 -1.140 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -2.695 21.345 0.247 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -1.990 21.638 -2.682 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -2.334 22.910 -1.527 1.00 0.80 H new ATOM 0 HE21 GLN A 34 0.049 20.643 -2.734 1.00 1.97 H new ATOM 0 HE22 GLN A 34 1.432 21.326 -1.873 1.00 1.97 H new ATOM 771 N VAL A 35 -3.573 17.809 -0.362 1.00 0.42 N ATOM 772 CA VAL A 35 -4.329 16.800 0.360 1.00 0.42 C ATOM 773 C VAL A 35 -3.497 15.532 0.537 1.00 0.40 C ATOM 774 O VAL A 35 -3.126 15.160 1.651 1.00 0.44 O ATOM 775 CB VAL A 35 -5.622 16.450 -0.412 1.00 0.45 C ATOM 776 CG1 VAL A 35 -6.363 15.292 0.233 1.00 0.68 C ATOM 777 CG2 VAL A 35 -6.526 17.666 -0.522 1.00 0.65 C ATOM 0 H VAL A 35 -3.735 17.809 -1.369 1.00 0.42 H new ATOM 0 HA VAL A 35 -4.584 17.203 1.340 1.00 0.42 H new ATOM 0 HB VAL A 35 -5.331 16.139 -1.415 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -7.266 15.075 -0.337 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -5.721 14.411 0.245 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -6.634 15.558 1.255 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -7.430 17.399 -1.069 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -6.794 18.012 0.476 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -6.003 18.461 -1.053 1.00 0.65 H new ATOM 787 N ILE A 36 -3.207 14.895 -0.591 1.00 0.38 N ATOM 788 CA ILE A 36 -2.547 13.594 -0.649 1.00 0.39 C ATOM 789 C ILE A 36 -1.311 13.464 0.245 1.00 0.46 C ATOM 790 O ILE A 36 -1.255 12.560 1.074 1.00 0.51 O ATOM 791 CB ILE A 36 -2.184 13.259 -2.096 1.00 0.42 C ATOM 792 CG1 ILE A 36 -3.431 13.383 -2.974 1.00 0.47 C ATOM 793 CG2 ILE A 36 -1.644 11.854 -2.153 1.00 0.48 C ATOM 794 CD1 ILE A 36 -3.169 13.258 -4.456 1.00 0.51 C ATOM 0 H ILE A 36 -3.428 15.276 -1.511 1.00 0.38 H new ATOM 0 HA ILE A 36 -3.269 12.879 -0.256 1.00 0.39 H new ATOM 0 HB ILE A 36 -1.425 13.951 -2.462 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -4.146 12.615 -2.678 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.901 14.347 -2.781 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -1.382 11.606 -3.182 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.756 11.780 -1.525 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -2.402 11.158 -1.794 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -4.108 13.358 -5.001 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -2.481 14.042 -4.771 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -2.729 12.283 -4.667 1.00 0.51 H new ATOM 806 N LYS A 37 -0.331 14.348 0.112 1.00 0.52 N ATOM 807 CA LYS A 37 0.912 14.169 0.864 1.00 0.67 C ATOM 808 C LYS A 37 0.853 14.831 2.238 1.00 0.66 C ATOM 809 O LYS A 37 1.882 15.061 2.868 1.00 0.79 O ATOM 810 CB LYS A 37 2.138 14.648 0.065 1.00 0.91 C ATOM 811 CG LYS A 37 2.033 16.045 -0.534 1.00 0.75 C ATOM 812 CD LYS A 37 2.090 17.142 0.521 1.00 0.94 C ATOM 813 CE LYS A 37 2.141 18.527 -0.108 1.00 0.70 C ATOM 814 NZ LYS A 37 3.440 18.792 -0.781 1.00 0.97 N ATOM 0 H LYS A 37 -0.364 15.172 -0.488 1.00 0.52 H new ATOM 0 HA LYS A 37 1.025 13.097 1.028 1.00 0.67 H new ATOM 0 HB2 LYS A 37 3.009 14.618 0.719 1.00 0.91 H new ATOM 0 HB3 LYS A 37 2.322 13.939 -0.743 1.00 0.91 H new ATOM 0 HG2 LYS A 37 2.843 16.191 -1.249 1.00 0.75 H new ATOM 0 HG3 LYS A 37 1.099 16.129 -1.089 1.00 0.75 H new ATOM 0 HD2 LYS A 37 1.217 17.069 1.169 1.00 0.94 H new ATOM 0 HD3 LYS A 37 2.968 16.996 1.151 1.00 0.94 H new ATOM 0 HE2 LYS A 37 1.332 18.625 -0.832 1.00 0.70 H new ATOM 0 HE3 LYS A 37 1.973 19.280 0.662 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 3.658 19.807 -0.727 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 4.192 18.251 -0.309 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 3.380 18.503 -1.778 1.00 0.97 H new ATOM 828 N LEU A 38 -0.349 15.128 2.709 1.00 0.63 N ATOM 829 CA LEU A 38 -0.525 15.723 4.011 1.00 0.70 C ATOM 830 C LEU A 38 -1.378 14.795 4.882 1.00 0.65 C ATOM 831 O LEU A 38 -1.089 14.601 6.065 1.00 0.91 O ATOM 832 CB LEU A 38 -1.157 17.116 3.826 1.00 0.82 C ATOM 833 CG LEU A 38 -1.546 17.880 5.092 1.00 1.08 C ATOM 834 CD1 LEU A 38 -2.850 17.336 5.641 1.00 2.08 C ATOM 835 CD2 LEU A 38 -0.436 17.813 6.130 1.00 1.61 C ATOM 0 H LEU A 38 -1.217 14.963 2.200 1.00 0.63 H new ATOM 0 HA LEU A 38 0.428 15.852 4.524 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -0.457 17.732 3.261 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -2.050 17.003 3.212 1.00 0.82 H new ATOM 0 HG LEU A 38 -1.690 18.931 4.840 1.00 1.08 H new ATOM 0 HD11 LEU A 38 -3.122 17.884 6.543 1.00 2.08 H new ATOM 0 HD12 LEU A 38 -3.636 17.453 4.895 1.00 2.08 H new ATOM 0 HD13 LEU A 38 -2.731 16.279 5.881 1.00 2.08 H new ATOM 0 HD21 LEU A 38 -0.737 18.364 7.021 1.00 1.61 H new ATOM 0 HD22 LEU A 38 -0.247 16.772 6.394 1.00 1.61 H new ATOM 0 HD23 LEU A 38 0.472 18.254 5.720 1.00 1.61 H new ATOM 847 N ALA A 39 -2.414 14.217 4.276 1.00 0.52 N ATOM 848 CA ALA A 39 -3.333 13.318 4.964 1.00 0.53 C ATOM 849 C ALA A 39 -2.607 12.166 5.652 1.00 0.60 C ATOM 850 O ALA A 39 -1.635 11.621 5.123 1.00 1.03 O ATOM 851 CB ALA A 39 -4.345 12.771 3.970 1.00 0.55 C ATOM 0 H ALA A 39 -2.638 14.361 3.291 1.00 0.52 H new ATOM 0 HA ALA A 39 -3.840 13.891 5.740 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -5.032 12.099 4.483 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -4.905 13.596 3.530 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -3.824 12.226 3.183 1.00 0.55 H new ATOM 857 N GLY A 40 -3.085 11.810 6.838 1.00 0.43 N ATOM 858 CA GLY A 40 -2.526 10.685 7.560 1.00 0.46 C ATOM 859 C GLY A 40 -3.019 9.363 7.013 1.00 0.46 C ATOM 860 O GLY A 40 -4.191 9.231 6.651 1.00 0.84 O ATOM 0 H GLY A 40 -3.853 12.283 7.314 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -1.438 10.720 7.500 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -2.790 10.763 8.615 1.00 0.46 H new ATOM 864 N VAL A 41 -2.133 8.379 6.958 1.00 0.44 N ATOM 865 CA VAL A 41 -2.460 7.087 6.380 1.00 0.45 C ATOM 866 C VAL A 41 -2.141 5.960 7.359 1.00 0.36 C ATOM 867 O VAL A 41 -1.046 5.898 7.916 1.00 0.41 O ATOM 868 CB VAL A 41 -1.695 6.845 5.062 1.00 0.67 C ATOM 869 CG1 VAL A 41 -2.149 5.552 4.401 1.00 0.95 C ATOM 870 CG2 VAL A 41 -1.867 8.023 4.114 1.00 1.30 C ATOM 0 H VAL A 41 -1.178 8.453 7.309 1.00 0.44 H new ATOM 0 HA VAL A 41 -3.529 7.094 6.167 1.00 0.45 H new ATOM 0 HB VAL A 41 -0.635 6.750 5.299 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -1.595 5.403 3.474 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -1.962 4.715 5.073 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -3.215 5.610 4.182 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -1.319 7.831 3.191 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -2.925 8.156 3.887 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -1.480 8.927 4.584 1.00 1.30 H new ATOM 880 N THR A 42 -3.116 5.095 7.576 1.00 0.31 N ATOM 881 CA THR A 42 -2.944 3.920 8.409 1.00 0.30 C ATOM 882 C THR A 42 -3.083 2.662 7.557 1.00 0.29 C ATOM 883 O THR A 42 -4.158 2.376 7.028 1.00 0.32 O ATOM 884 CB THR A 42 -3.992 3.895 9.536 1.00 0.35 C ATOM 885 OG1 THR A 42 -4.018 5.167 10.198 1.00 0.40 O ATOM 886 CG2 THR A 42 -3.685 2.799 10.542 1.00 0.45 C ATOM 0 H THR A 42 -4.051 5.189 7.178 1.00 0.31 H new ATOM 0 HA THR A 42 -1.950 3.954 8.856 1.00 0.30 H new ATOM 0 HB THR A 42 -4.967 3.690 9.094 1.00 0.35 H new ATOM 0 HG1 THR A 42 -4.687 5.150 10.914 1.00 0.40 H new ATOM 0 HG21 THR A 42 -4.441 2.804 11.327 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.690 1.832 10.039 1.00 0.45 H new ATOM 0 HG23 THR A 42 -2.703 2.974 10.982 1.00 0.45 H new ATOM 894 N LYS A 43 -1.999 1.919 7.411 1.00 0.31 N ATOM 895 CA LYS A 43 -1.996 0.762 6.533 1.00 0.35 C ATOM 896 C LYS A 43 -1.985 -0.532 7.349 1.00 0.33 C ATOM 897 O LYS A 43 -1.277 -0.634 8.354 1.00 0.41 O ATOM 898 CB LYS A 43 -0.792 0.845 5.591 1.00 0.50 C ATOM 899 CG LYS A 43 -0.838 -0.151 4.449 1.00 0.77 C ATOM 900 CD LYS A 43 -0.182 0.400 3.189 1.00 0.53 C ATOM 901 CE LYS A 43 -0.973 1.564 2.604 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.491 1.939 1.248 1.00 0.79 N ATOM 0 H LYS A 43 -1.114 2.095 7.887 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.906 0.756 5.932 1.00 0.35 H new ATOM 0 HB2 LYS A 43 -0.733 1.853 5.180 1.00 0.50 H new ATOM 0 HB3 LYS A 43 0.119 0.682 6.166 1.00 0.50 H new ATOM 0 HG2 LYS A 43 -0.335 -1.070 4.748 1.00 0.77 H new ATOM 0 HG3 LYS A 43 -1.875 -0.411 4.235 1.00 0.77 H new ATOM 0 HD2 LYS A 43 0.831 0.728 3.420 1.00 0.53 H new ATOM 0 HD3 LYS A 43 -0.098 -0.393 2.446 1.00 0.53 H new ATOM 0 HE2 LYS A 43 -2.028 1.296 2.552 1.00 0.59 H new ATOM 0 HE3 LYS A 43 -0.895 2.425 3.268 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 -1.155 2.614 0.818 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 0.449 2.378 1.323 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 -0.429 1.088 0.654 1.00 0.79 H new ATOM 916 N LYS A 44 -2.788 -1.508 6.929 1.00 0.31 N ATOM 917 CA LYS A 44 -2.965 -2.739 7.698 1.00 0.35 C ATOM 918 C LYS A 44 -2.877 -3.980 6.805 1.00 0.34 C ATOM 919 O LYS A 44 -3.333 -3.964 5.663 1.00 0.47 O ATOM 920 CB LYS A 44 -4.329 -2.733 8.391 1.00 0.44 C ATOM 921 CG LYS A 44 -4.616 -1.474 9.198 1.00 0.90 C ATOM 922 CD LYS A 44 -5.965 -1.550 9.895 1.00 0.88 C ATOM 923 CE LYS A 44 -5.995 -2.655 10.940 1.00 1.39 C ATOM 924 NZ LYS A 44 -5.034 -2.402 12.045 1.00 1.96 N ATOM 0 H LYS A 44 -3.325 -1.471 6.063 1.00 0.31 H new ATOM 0 HA LYS A 44 -2.163 -2.779 8.436 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -5.107 -2.853 7.637 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -4.391 -3.597 9.053 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -3.830 -1.330 9.940 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -4.595 -0.606 8.539 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -6.184 -0.594 10.370 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -6.747 -1.726 9.156 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -7.002 -2.741 11.348 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -5.760 -3.608 10.467 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -4.625 -3.304 12.363 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -4.274 -1.777 11.708 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -5.529 -1.948 12.839 1.00 1.96 H new ATOM 938 N PHE A 45 -2.281 -5.042 7.344 1.00 0.29 N ATOM 939 CA PHE A 45 -2.267 -6.357 6.704 1.00 0.29 C ATOM 940 C PHE A 45 -2.690 -7.419 7.712 1.00 0.30 C ATOM 941 O PHE A 45 -2.150 -7.480 8.816 1.00 0.37 O ATOM 942 CB PHE A 45 -0.873 -6.716 6.176 1.00 0.32 C ATOM 943 CG PHE A 45 -0.482 -6.040 4.898 1.00 0.36 C ATOM 944 CD1 PHE A 45 -0.059 -4.716 4.903 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.553 -6.711 3.690 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.282 -4.081 3.728 1.00 0.49 C ATOM 947 CE2 PHE A 45 -0.209 -6.081 2.513 1.00 0.52 C ATOM 948 CZ PHE A 45 0.282 -4.814 2.528 1.00 0.54 C ATOM 0 H PHE A 45 -1.793 -5.015 8.239 1.00 0.29 H new ATOM 0 HA PHE A 45 -2.960 -6.322 5.863 1.00 0.29 H new ATOM 0 HB2 PHE A 45 -0.137 -6.466 6.940 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -0.825 -7.795 6.027 1.00 0.32 H new ATOM 0 HD1 PHE A 45 0.003 -4.179 5.838 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -0.882 -7.740 3.669 1.00 0.44 H new ATOM 0 HE1 PHE A 45 0.546 -3.034 3.729 1.00 0.49 H new ATOM 0 HE2 PHE A 45 -0.331 -6.598 1.573 1.00 0.52 H new ATOM 0 HZ PHE A 45 0.670 -4.372 1.622 1.00 0.54 H new ATOM 958 N ARG A 46 -3.647 -8.250 7.342 1.00 0.31 N ATOM 959 CA ARG A 46 -4.110 -9.319 8.217 1.00 0.33 C ATOM 960 C ARG A 46 -4.659 -10.478 7.404 1.00 0.31 C ATOM 961 O ARG A 46 -4.707 -10.419 6.179 1.00 0.33 O ATOM 962 CB ARG A 46 -5.191 -8.804 9.176 1.00 0.39 C ATOM 963 CG ARG A 46 -6.317 -8.067 8.473 1.00 0.50 C ATOM 964 CD ARG A 46 -7.480 -7.761 9.404 1.00 0.64 C ATOM 965 NE ARG A 46 -7.066 -7.055 10.619 1.00 1.51 N ATOM 966 CZ ARG A 46 -7.699 -5.991 11.117 1.00 2.03 C ATOM 967 NH1 ARG A 46 -8.697 -5.429 10.446 1.00 1.85 N ATOM 968 NH2 ARG A 46 -7.315 -5.473 12.277 1.00 3.17 N ATOM 0 H ARG A 46 -4.122 -8.208 6.440 1.00 0.31 H new ATOM 0 HA ARG A 46 -3.257 -9.668 8.799 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -5.607 -9.646 9.729 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -4.731 -8.139 9.907 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -5.934 -7.135 8.057 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -6.673 -8.667 7.636 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -8.216 -7.158 8.872 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -7.972 -8.693 9.681 1.00 0.64 H new ATOM 0 HE ARG A 46 -6.243 -7.398 11.115 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -8.984 -5.810 9.545 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -9.177 -4.616 10.832 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -6.536 -5.888 12.788 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -7.799 -4.660 12.658 1.00 3.17 H new ATOM 982 N ASN A 47 -5.034 -11.540 8.098 1.00 0.33 N ATOM 983 CA ASN A 47 -5.762 -12.645 7.480 1.00 0.37 C ATOM 984 C ASN A 47 -7.051 -12.122 6.859 1.00 0.39 C ATOM 985 O ASN A 47 -7.498 -11.025 7.199 1.00 0.54 O ATOM 986 CB ASN A 47 -6.076 -13.737 8.502 1.00 0.50 C ATOM 987 CG ASN A 47 -4.860 -14.560 8.873 1.00 0.92 C ATOM 988 OD1 ASN A 47 -4.142 -14.236 9.818 1.00 1.85 O ATOM 989 ND2 ASN A 47 -4.621 -15.636 8.138 1.00 1.44 N ATOM 0 H ASN A 47 -4.847 -11.664 9.093 1.00 0.33 H new ATOM 0 HA ASN A 47 -5.134 -13.082 6.704 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -6.487 -13.279 9.402 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -6.846 -14.395 8.099 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -3.818 -16.229 8.348 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -5.240 -15.871 7.362 1.00 1.44 H new ATOM 996 N ALA A 48 -7.657 -12.891 5.964 1.00 0.36 N ATOM 997 CA ALA A 48 -8.849 -12.438 5.261 1.00 0.41 C ATOM 998 C ALA A 48 -9.988 -12.125 6.221 1.00 0.64 C ATOM 999 O ALA A 48 -9.974 -12.545 7.379 1.00 0.87 O ATOM 1000 CB ALA A 48 -9.280 -13.476 4.246 1.00 0.49 C ATOM 0 H ALA A 48 -7.344 -13.828 5.709 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.598 -11.513 4.742 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -10.172 -13.128 3.726 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -8.478 -13.635 3.525 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -9.500 -14.414 4.756 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.952 -11.367 5.722 1.00 0.83 N ATOM 1007 CA ALA A 49 -12.098 -10.917 6.501 1.00 1.18 C ATOM 1008 C ALA A 49 -12.723 -12.034 7.327 1.00 1.17 C ATOM 1009 O ALA A 49 -12.731 -11.977 8.558 1.00 1.46 O ATOM 1010 CB ALA A 49 -13.126 -10.314 5.572 1.00 1.48 C ATOM 0 H ALA A 49 -10.962 -11.043 4.755 1.00 0.83 H new ATOM 0 HA ALA A 49 -11.744 -10.168 7.209 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -13.986 -9.976 6.151 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -12.687 -9.467 5.045 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -13.448 -11.064 4.849 1.00 1.48 H new ATOM 1016 N SER A 50 -13.241 -13.047 6.653 1.00 1.12 N ATOM 1017 CA SER A 50 -13.857 -14.167 7.340 1.00 1.50 C ATOM 1018 C SER A 50 -12.781 -14.985 8.053 1.00 1.66 C ATOM 1019 O SER A 50 -13.013 -15.552 9.121 1.00 2.19 O ATOM 1020 CB SER A 50 -14.640 -15.026 6.347 1.00 1.77 C ATOM 1021 OG SER A 50 -15.340 -16.072 6.994 1.00 2.37 O ATOM 0 H SER A 50 -13.247 -13.116 5.635 1.00 1.12 H new ATOM 0 HA SER A 50 -14.559 -13.797 8.087 1.00 1.50 H new ATOM 0 HB2 SER A 50 -15.346 -14.399 5.802 1.00 1.77 H new ATOM 0 HB3 SER A 50 -13.955 -15.448 5.612 1.00 1.77 H new ATOM 0 HG SER A 50 -15.952 -16.498 6.358 1.00 2.37 H new ATOM 1027 N GLY A 51 -11.604 -15.037 7.445 1.00 1.42 N ATOM 1028 CA GLY A 51 -10.454 -15.630 8.100 1.00 1.68 C ATOM 1029 C GLY A 51 -9.964 -16.892 7.423 1.00 1.70 C ATOM 1030 O GLY A 51 -9.453 -17.797 8.086 1.00 1.91 O ATOM 0 H GLY A 51 -11.424 -14.678 6.507 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -9.644 -14.902 8.126 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -10.711 -15.857 9.135 1.00 1.68 H new ATOM 1034 N LYS A 52 -10.111 -16.959 6.109 1.00 1.54 N ATOM 1035 CA LYS A 52 -9.634 -18.109 5.349 1.00 1.60 C ATOM 1036 C LYS A 52 -8.126 -18.014 5.133 1.00 1.44 C ATOM 1037 O LYS A 52 -7.605 -16.945 4.829 1.00 1.37 O ATOM 1038 CB LYS A 52 -10.353 -18.205 3.995 1.00 1.62 C ATOM 1039 CG LYS A 52 -11.713 -18.891 4.060 1.00 1.92 C ATOM 1040 CD LYS A 52 -12.699 -18.130 4.933 1.00 1.94 C ATOM 1041 CE LYS A 52 -14.039 -18.838 5.012 1.00 2.59 C ATOM 1042 NZ LYS A 52 -13.912 -20.206 5.579 1.00 3.17 N ATOM 0 H LYS A 52 -10.555 -16.234 5.546 1.00 1.54 H new ATOM 0 HA LYS A 52 -9.854 -19.009 5.922 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -10.484 -17.200 3.593 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -9.717 -18.748 3.296 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -12.119 -18.985 3.053 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -11.590 -19.902 4.450 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -12.287 -18.018 5.936 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -12.841 -17.126 4.533 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -14.723 -18.253 5.627 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -14.477 -18.897 4.016 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -14.852 -20.557 5.852 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -13.499 -20.840 4.866 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -13.296 -20.179 6.416 1.00 3.17 H new ATOM 1056 N PRO A 53 -7.409 -19.132 5.320 1.00 1.49 N ATOM 1057 CA PRO A 53 -5.958 -19.194 5.105 1.00 1.40 C ATOM 1058 C PRO A 53 -5.588 -18.993 3.636 1.00 1.15 C ATOM 1059 O PRO A 53 -6.420 -19.173 2.754 1.00 1.15 O ATOM 1060 CB PRO A 53 -5.581 -20.603 5.571 1.00 1.68 C ATOM 1061 CG PRO A 53 -6.841 -21.389 5.493 1.00 1.84 C ATOM 1062 CD PRO A 53 -7.956 -20.424 5.764 1.00 1.76 C ATOM 0 HA PRO A 53 -5.431 -18.407 5.644 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -4.808 -21.034 4.935 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -5.187 -20.590 6.587 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -6.953 -21.847 4.510 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -6.841 -22.198 6.224 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -8.858 -20.688 5.213 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -8.222 -20.405 6.821 1.00 1.76 H new ATOM 1070 N ASP A 54 -4.349 -18.563 3.388 1.00 1.04 N ATOM 1071 CA ASP A 54 -3.851 -18.321 2.020 1.00 0.90 C ATOM 1072 C ASP A 54 -4.709 -17.267 1.313 1.00 0.68 C ATOM 1073 O ASP A 54 -4.638 -17.083 0.096 1.00 0.97 O ATOM 1074 CB ASP A 54 -3.798 -19.618 1.201 1.00 1.06 C ATOM 1075 CG ASP A 54 -2.806 -20.624 1.755 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -3.226 -21.565 2.458 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -1.591 -20.478 1.489 1.00 1.60 O ATOM 0 H ASP A 54 -3.663 -18.372 4.118 1.00 1.04 H new ATOM 0 HA ASP A 54 -2.832 -17.942 2.100 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -4.790 -20.068 1.178 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -3.531 -19.381 0.171 1.00 1.06 H new ATOM 1082 N ARG A 55 -5.511 -16.590 2.116 1.00 0.63 N ATOM 1083 CA ARG A 55 -6.303 -15.442 1.705 1.00 0.47 C ATOM 1084 C ARG A 55 -6.170 -14.377 2.784 1.00 0.41 C ATOM 1085 O ARG A 55 -6.312 -14.671 3.972 1.00 0.51 O ATOM 1086 CB ARG A 55 -7.778 -15.810 1.522 1.00 0.64 C ATOM 1087 CG ARG A 55 -8.050 -16.750 0.362 1.00 1.24 C ATOM 1088 CD ARG A 55 -9.540 -16.992 0.205 1.00 1.87 C ATOM 1089 NE ARG A 55 -9.851 -17.835 -0.946 1.00 2.57 N ATOM 1090 CZ ARG A 55 -11.069 -17.942 -1.473 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -12.080 -17.251 -0.958 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -11.276 -18.733 -2.518 1.00 4.10 N ATOM 0 H ARG A 55 -5.633 -16.830 3.100 1.00 0.63 H new ATOM 0 HA ARG A 55 -5.938 -15.078 0.744 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -8.142 -16.271 2.440 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -8.353 -14.895 1.375 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -7.646 -16.327 -0.558 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -7.538 -17.698 0.528 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -9.926 -17.461 1.110 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -10.051 -16.035 0.099 1.00 1.87 H new ATOM 0 HE ARG A 55 -9.094 -18.371 -1.369 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -11.924 -16.638 -0.158 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -13.013 -17.334 -1.363 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -10.501 -19.261 -2.919 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -12.210 -18.813 -2.920 1.00 4.10 H new ATOM 1106 N TYR A 56 -5.866 -13.156 2.396 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.589 -12.121 3.374 1.00 0.32 C ATOM 1108 C TYR A 56 -6.400 -10.858 3.124 1.00 0.33 C ATOM 1109 O TYR A 56 -7.071 -10.720 2.102 1.00 0.41 O ATOM 1110 CB TYR A 56 -4.093 -11.814 3.390 1.00 0.34 C ATOM 1111 CG TYR A 56 -3.269 -12.938 3.974 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -2.837 -13.999 3.186 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -2.941 -12.949 5.321 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -2.101 -15.034 3.727 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -2.203 -13.977 5.868 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.786 -15.016 5.069 1.00 0.77 C ATOM 1117 OH TYR A 56 -1.055 -16.043 5.614 1.00 0.97 O ATOM 0 H TYR A 56 -5.804 -12.857 1.423 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.891 -12.496 4.352 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -3.757 -11.615 2.372 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -3.920 -10.905 3.967 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -3.081 -14.014 2.134 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -3.270 -12.137 5.953 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -1.774 -15.853 3.103 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.954 -13.967 6.919 1.00 0.69 H new ATOM 0 HH TYR A 56 -0.100 -15.826 5.567 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.337 -9.956 4.088 1.00 0.32 N ATOM 1128 CA ASP A 57 -7.051 -8.692 4.039 1.00 0.34 C ATOM 1129 C ASP A 57 -6.067 -7.556 4.269 1.00 0.29 C ATOM 1130 O ASP A 57 -5.134 -7.688 5.064 1.00 0.32 O ATOM 1131 CB ASP A 57 -8.155 -8.675 5.106 1.00 0.43 C ATOM 1132 CG ASP A 57 -8.910 -7.363 5.180 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -8.414 -6.414 5.821 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -10.023 -7.286 4.626 1.00 0.99 O ATOM 0 H ASP A 57 -5.783 -10.082 4.935 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.517 -8.568 3.062 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -8.861 -9.479 4.899 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -7.711 -8.884 6.079 1.00 0.43 H new ATOM 1139 N MET A 58 -6.253 -6.461 3.558 1.00 0.27 N ATOM 1140 CA MET A 58 -5.353 -5.325 3.647 1.00 0.26 C ATOM 1141 C MET A 58 -6.127 -4.049 3.341 1.00 0.27 C ATOM 1142 O MET A 58 -7.091 -4.078 2.582 1.00 0.33 O ATOM 1143 CB MET A 58 -4.179 -5.528 2.673 1.00 0.30 C ATOM 1144 CG MET A 58 -3.162 -4.397 2.655 1.00 0.51 C ATOM 1145 SD MET A 58 -3.668 -3.023 1.617 1.00 0.98 S ATOM 1146 CE MET A 58 -2.247 -1.965 1.791 1.00 0.36 C ATOM 0 H MET A 58 -7.027 -6.333 2.906 1.00 0.27 H new ATOM 0 HA MET A 58 -4.943 -5.239 4.653 1.00 0.26 H new ATOM 0 HB2 MET A 58 -3.666 -6.454 2.932 1.00 0.30 H new ATOM 0 HB3 MET A 58 -4.578 -5.655 1.667 1.00 0.30 H new ATOM 0 HG2 MET A 58 -3.005 -4.039 3.673 1.00 0.51 H new ATOM 0 HG3 MET A 58 -2.205 -4.781 2.301 1.00 0.51 H new ATOM 0 HE1 MET A 58 -2.239 -1.231 0.985 1.00 0.36 H new ATOM 0 HE2 MET A 58 -2.292 -1.450 2.750 1.00 0.36 H new ATOM 0 HE3 MET A 58 -1.338 -2.565 1.744 1.00 0.36 H new ATOM 1156 N GLU A 59 -5.723 -2.935 3.926 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.448 -1.690 3.726 1.00 0.32 C ATOM 1158 C GLU A 59 -5.543 -0.474 3.883 1.00 0.31 C ATOM 1159 O GLU A 59 -4.500 -0.534 4.543 1.00 0.31 O ATOM 1160 CB GLU A 59 -7.645 -1.611 4.679 1.00 0.46 C ATOM 1161 CG GLU A 59 -7.286 -1.766 6.145 1.00 1.03 C ATOM 1162 CD GLU A 59 -8.508 -1.924 7.027 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -8.633 -2.967 7.700 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -9.356 -1.007 7.047 1.00 1.11 O ATOM 0 H GLU A 59 -4.908 -2.865 4.536 1.00 0.29 H new ATOM 0 HA GLU A 59 -6.818 -1.682 2.701 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -8.144 -0.652 4.538 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -8.362 -2.386 4.408 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -6.639 -2.634 6.268 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -6.717 -0.895 6.471 1.00 1.03 H new ATOM 1171 N ASN A 60 -5.954 0.626 3.255 1.00 0.36 N ATOM 1172 CA ASN A 60 -5.194 1.869 3.278 1.00 0.42 C ATOM 1173 C ASN A 60 -6.091 2.959 3.840 1.00 0.46 C ATOM 1174 O ASN A 60 -6.765 3.664 3.088 1.00 0.60 O ATOM 1175 CB ASN A 60 -4.722 2.307 1.868 1.00 0.44 C ATOM 1176 CG ASN A 60 -4.203 1.186 0.968 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -4.644 0.041 1.036 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -3.280 1.521 0.079 1.00 1.02 N ATOM 0 H ASN A 60 -6.820 0.678 2.719 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.306 1.707 3.889 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -5.553 2.799 1.363 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -3.934 3.051 1.983 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -2.919 0.821 -0.570 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -2.930 2.479 0.043 1.00 1.02 H new ATOM 1185 N LEU A 61 -6.134 3.074 5.154 1.00 0.38 N ATOM 1186 CA LEU A 61 -7.002 4.049 5.797 1.00 0.39 C ATOM 1187 C LEU A 61 -6.396 5.441 5.715 1.00 0.39 C ATOM 1188 O LEU A 61 -5.219 5.630 6.018 1.00 0.50 O ATOM 1189 CB LEU A 61 -7.246 3.664 7.255 1.00 0.42 C ATOM 1190 CG LEU A 61 -7.998 2.350 7.469 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -8.176 2.071 8.953 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -9.346 2.386 6.765 1.00 1.66 C ATOM 0 H LEU A 61 -5.581 2.508 5.797 1.00 0.38 H new ATOM 0 HA LEU A 61 -7.957 4.056 5.272 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -6.283 3.599 7.762 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -7.806 4.466 7.736 1.00 0.42 H new ATOM 0 HG LEU A 61 -7.407 1.542 7.038 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -8.713 1.132 9.085 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -7.198 2.000 9.430 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -8.744 2.881 9.410 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -9.867 1.443 6.928 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -9.944 3.205 7.165 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -9.194 2.536 5.696 1.00 1.66 H new ATOM 1204 N THR A 62 -7.193 6.414 5.310 1.00 0.34 N ATOM 1205 CA THR A 62 -6.707 7.774 5.153 1.00 0.35 C ATOM 1206 C THR A 62 -7.704 8.753 5.757 1.00 0.37 C ATOM 1207 O THR A 62 -8.452 8.399 6.669 1.00 0.43 O ATOM 1208 CB THR A 62 -6.455 8.138 3.666 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.693 8.355 2.979 1.00 0.34 O ATOM 1210 CG2 THR A 62 -5.669 7.043 2.956 1.00 0.45 C ATOM 0 H THR A 62 -8.180 6.288 5.084 1.00 0.34 H new ATOM 0 HA THR A 62 -5.753 7.841 5.676 1.00 0.35 H new ATOM 0 HB THR A 62 -5.869 9.057 3.651 1.00 0.36 H new ATOM 0 HG1 THR A 62 -8.102 7.491 2.762 1.00 0.34 H new ATOM 0 HG21 THR A 62 -5.508 7.327 1.916 1.00 0.45 H new ATOM 0 HG22 THR A 62 -4.706 6.909 3.449 1.00 0.45 H new ATOM 0 HG23 THR A 62 -6.230 6.109 2.995 1.00 0.45 H new ATOM 1218 N THR A 63 -7.711 9.978 5.265 1.00 0.42 N ATOM 1219 CA THR A 63 -8.647 10.977 5.740 1.00 0.46 C ATOM 1220 C THR A 63 -9.744 11.224 4.705 1.00 0.46 C ATOM 1221 O THR A 63 -10.877 11.558 5.046 1.00 0.54 O ATOM 1222 CB THR A 63 -7.913 12.299 6.043 1.00 0.50 C ATOM 1223 OG1 THR A 63 -7.373 12.852 4.834 1.00 0.52 O ATOM 1224 CG2 THR A 63 -6.778 12.063 7.029 1.00 0.50 C ATOM 0 H THR A 63 -7.077 10.304 4.535 1.00 0.42 H new ATOM 0 HA THR A 63 -9.105 10.604 6.656 1.00 0.46 H new ATOM 0 HB THR A 63 -8.631 12.995 6.477 1.00 0.50 H new ATOM 0 HG1 THR A 63 -6.910 13.692 5.037 1.00 0.52 H new ATOM 0 HG21 THR A 63 -6.270 13.006 7.232 1.00 0.50 H new ATOM 0 HG22 THR A 63 -7.181 11.661 7.958 1.00 0.50 H new ATOM 0 HG23 THR A 63 -6.068 11.353 6.604 1.00 0.50 H new ATOM 1232 N LYS A 64 -9.402 11.008 3.439 1.00 0.46 N ATOM 1233 CA LYS A 64 -10.267 11.393 2.329 1.00 0.50 C ATOM 1234 C LYS A 64 -11.021 10.204 1.744 1.00 0.49 C ATOM 1235 O LYS A 64 -12.145 10.350 1.262 1.00 0.60 O ATOM 1236 CB LYS A 64 -9.420 12.064 1.243 1.00 0.59 C ATOM 1237 CG LYS A 64 -9.011 13.488 1.583 1.00 0.83 C ATOM 1238 CD LYS A 64 -10.216 14.417 1.644 1.00 0.88 C ATOM 1239 CE LYS A 64 -9.806 15.861 1.901 1.00 1.64 C ATOM 1240 NZ LYS A 64 -9.139 16.032 3.217 1.00 2.24 N ATOM 0 H LYS A 64 -8.528 10.566 3.155 1.00 0.46 H new ATOM 0 HA LYS A 64 -11.015 12.089 2.710 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -8.523 11.468 1.073 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -9.981 12.069 0.308 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -8.493 13.499 2.542 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -8.306 13.853 0.836 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -10.768 14.358 0.706 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -10.891 14.085 2.433 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -9.133 16.192 1.110 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -10.688 16.500 1.857 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -8.985 17.044 3.399 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -9.741 15.633 3.966 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -8.223 15.539 3.209 1.00 2.24 H new ATOM 1254 N LYS A 65 -10.406 9.034 1.787 1.00 0.49 N ATOM 1255 CA LYS A 65 -10.977 7.840 1.177 1.00 0.49 C ATOM 1256 C LYS A 65 -10.249 6.613 1.691 1.00 0.52 C ATOM 1257 O LYS A 65 -9.026 6.598 1.736 1.00 1.09 O ATOM 1258 CB LYS A 65 -10.849 7.927 -0.349 1.00 0.73 C ATOM 1259 CG LYS A 65 -11.346 6.703 -1.107 1.00 1.18 C ATOM 1260 CD LYS A 65 -12.860 6.599 -1.108 1.00 1.22 C ATOM 1261 CE LYS A 65 -13.331 5.514 -2.064 1.00 1.36 C ATOM 1262 NZ LYS A 65 -14.811 5.399 -2.090 1.00 1.82 N ATOM 0 H LYS A 65 -9.505 8.883 2.241 1.00 0.49 H new ATOM 0 HA LYS A 65 -12.032 7.766 1.439 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -11.402 8.800 -0.696 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -9.802 8.092 -0.602 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -10.987 6.745 -2.135 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -10.923 5.804 -0.658 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -13.214 6.380 -0.101 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -13.294 7.556 -1.397 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -12.967 5.732 -3.068 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -12.898 4.558 -1.769 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -15.089 4.648 -2.754 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -15.158 5.165 -1.138 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -15.224 6.303 -2.397 1.00 1.82 H new ATOM 1276 N ASP A 66 -10.983 5.593 2.090 1.00 0.47 N ATOM 1277 CA ASP A 66 -10.356 4.404 2.643 1.00 0.39 C ATOM 1278 C ASP A 66 -10.572 3.203 1.732 1.00 0.43 C ATOM 1279 O ASP A 66 -11.705 2.867 1.385 1.00 0.66 O ATOM 1280 CB ASP A 66 -10.903 4.102 4.044 1.00 0.57 C ATOM 1281 CG ASP A 66 -10.833 5.299 4.974 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -9.758 5.529 5.570 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -11.841 6.019 5.112 1.00 2.12 O ATOM 0 H ASP A 66 -12.001 5.560 2.044 1.00 0.47 H new ATOM 0 HA ASP A 66 -9.286 4.597 2.718 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.939 3.772 3.961 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -10.339 3.277 4.479 1.00 0.57 H new ATOM 1288 N THR A 67 -9.480 2.564 1.347 1.00 0.35 N ATOM 1289 CA THR A 67 -9.550 1.350 0.550 1.00 0.32 C ATOM 1290 C THR A 67 -9.664 0.151 1.469 1.00 0.26 C ATOM 1291 O THR A 67 -9.153 0.174 2.590 1.00 0.30 O ATOM 1292 CB THR A 67 -8.304 1.163 -0.334 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.139 1.535 0.402 1.00 0.38 O ATOM 1294 CG2 THR A 67 -8.385 1.977 -1.612 1.00 0.56 C ATOM 0 H THR A 67 -8.533 2.866 1.574 1.00 0.35 H new ATOM 0 HA THR A 67 -10.423 1.437 -0.097 1.00 0.32 H new ATOM 0 HB THR A 67 -8.251 0.112 -0.618 1.00 0.38 H new ATOM 0 HG1 THR A 67 -6.476 1.920 -0.208 1.00 0.38 H new ATOM 0 HG21 THR A 67 -7.485 1.814 -2.205 1.00 0.56 H new ATOM 0 HG22 THR A 67 -9.258 1.667 -2.186 1.00 0.56 H new ATOM 0 HG23 THR A 67 -8.470 3.035 -1.365 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.327 -0.891 1.010 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.404 -2.115 1.781 1.00 0.23 C ATOM 1304 C HIS A 68 -10.203 -3.309 0.864 1.00 0.22 C ATOM 1305 O HIS A 68 -11.158 -3.872 0.330 1.00 0.27 O ATOM 1306 CB HIS A 68 -11.737 -2.226 2.526 1.00 0.32 C ATOM 1307 CG HIS A 68 -11.748 -3.302 3.574 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -12.562 -3.274 4.685 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -11.041 -4.451 3.664 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -12.351 -4.361 5.407 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -11.433 -5.086 4.807 1.00 1.95 N ATOM 0 H HIS A 68 -10.816 -0.916 0.115 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.613 -2.099 2.531 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -11.962 -1.269 2.996 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -12.532 -2.422 1.806 1.00 0.32 H new ATOM 0 HD2 HIS A 68 -10.301 -4.802 2.960 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -12.848 -4.611 6.333 1.00 1.69 H new ATOM 0 HE2 HIS A 68 -11.072 -5.979 5.142 1.00 1.95 H new ATOM 1320 N HIS A 69 -8.954 -3.692 0.691 1.00 0.23 N ATOM 1321 CA HIS A 69 -8.621 -4.861 -0.102 1.00 0.26 C ATOM 1322 C HIS A 69 -8.896 -6.099 0.731 1.00 0.29 C ATOM 1323 O HIS A 69 -8.007 -6.630 1.390 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.146 -4.843 -0.526 1.00 0.32 C ATOM 1325 CG HIS A 69 -6.648 -3.533 -1.067 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.422 -2.652 -1.787 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.424 -2.965 -0.988 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -6.692 -1.605 -2.127 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.471 -1.769 -1.655 1.00 0.39 N ATOM 0 H HIS A 69 -8.149 -3.209 1.090 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.229 -4.862 -1.007 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -6.535 -5.118 0.334 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -6.994 -5.611 -1.284 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -4.562 -3.380 -0.488 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -7.037 -0.755 -2.697 1.00 0.37 H new ATOM 0 HE2 HIS A 69 -4.695 -1.117 -1.767 1.00 0.39 H new ATOM 1338 N LYS A 70 -10.139 -6.526 0.737 1.00 0.31 N ATOM 1339 CA LYS A 70 -10.557 -7.629 1.566 1.00 0.37 C ATOM 1340 C LYS A 70 -10.609 -8.940 0.797 1.00 0.31 C ATOM 1341 O LYS A 70 -11.103 -8.998 -0.331 1.00 0.33 O ATOM 1342 CB LYS A 70 -11.912 -7.296 2.168 1.00 0.49 C ATOM 1343 CG LYS A 70 -12.827 -6.526 1.223 1.00 1.01 C ATOM 1344 CD LYS A 70 -14.003 -5.919 1.959 1.00 1.00 C ATOM 1345 CE LYS A 70 -14.637 -6.943 2.859 1.00 1.43 C ATOM 1346 NZ LYS A 70 -15.504 -7.897 2.118 1.00 2.30 N ATOM 0 H LYS A 70 -10.883 -6.120 0.170 1.00 0.31 H new ATOM 0 HA LYS A 70 -9.821 -7.770 2.358 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -12.406 -8.221 2.465 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -11.763 -6.709 3.075 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -12.260 -5.737 0.728 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -13.191 -7.194 0.443 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -13.671 -5.063 2.547 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -14.737 -5.549 1.244 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -13.856 -7.497 3.380 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -15.229 -6.435 3.620 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -15.916 -8.581 2.784 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -16.267 -7.375 1.642 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -14.936 -8.403 1.409 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.061 -9.977 1.423 1.00 0.33 N ATOM 1361 CA ASP A 71 -10.102 -11.341 0.896 1.00 0.37 C ATOM 1362 C ASP A 71 -9.368 -11.446 -0.432 1.00 0.33 C ATOM 1363 O ASP A 71 -9.963 -11.761 -1.463 1.00 0.42 O ATOM 1364 CB ASP A 71 -11.547 -11.830 0.727 1.00 0.51 C ATOM 1365 CG ASP A 71 -12.252 -12.040 2.048 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -12.003 -13.069 2.708 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -13.057 -11.172 2.440 1.00 2.07 O ATOM 0 H ASP A 71 -9.573 -9.896 2.315 1.00 0.33 H new ATOM 0 HA ASP A 71 -9.599 -11.977 1.624 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -12.104 -11.105 0.134 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -11.546 -12.766 0.168 1.00 0.51 H new ATOM 1372 N TRP A 72 -8.076 -11.180 -0.404 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.247 -11.306 -1.591 1.00 0.30 C ATOM 1374 C TRP A 72 -6.151 -12.326 -1.369 1.00 0.31 C ATOM 1375 O TRP A 72 -5.813 -12.661 -0.234 1.00 0.29 O ATOM 1376 CB TRP A 72 -6.616 -9.964 -1.971 1.00 0.30 C ATOM 1377 CG TRP A 72 -5.795 -9.346 -0.874 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.210 -8.407 0.017 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.420 -9.618 -0.552 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.191 -8.081 0.876 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -4.084 -8.811 0.545 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.442 -10.464 -1.078 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -2.815 -8.830 1.118 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.188 -10.469 -0.496 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -1.891 -9.659 0.586 1.00 0.43 C ATOM 0 H TRP A 72 -7.575 -10.874 0.430 1.00 0.29 H new ATOM 0 HA TRP A 72 -7.892 -11.636 -2.406 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -5.985 -10.106 -2.848 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.406 -9.269 -2.256 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.201 -7.978 0.045 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.250 -7.405 1.637 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -3.660 -11.101 -1.922 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.577 -8.201 1.963 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.423 -11.119 -0.895 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -0.900 -9.690 1.014 1.00 0.43 H new ATOM 1396 N ALA A 73 -5.608 -12.826 -2.455 1.00 0.41 N ATOM 1397 CA ALA A 73 -4.435 -13.665 -2.402 1.00 0.50 C ATOM 1398 C ALA A 73 -3.385 -13.114 -3.351 1.00 0.48 C ATOM 1399 O ALA A 73 -3.711 -12.400 -4.296 1.00 0.42 O ATOM 1400 CB ALA A 73 -4.808 -15.089 -2.771 1.00 0.55 C ATOM 0 H ALA A 73 -5.966 -12.663 -3.396 1.00 0.41 H new ATOM 0 HA ALA A 73 -4.025 -13.672 -1.392 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -3.920 -15.720 -2.730 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -5.552 -15.464 -2.068 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -5.220 -15.107 -3.780 1.00 0.55 H new ATOM 1406 N LEU A 74 -2.123 -13.387 -3.081 1.00 0.60 N ATOM 1407 CA LEU A 74 -1.075 -13.000 -4.006 1.00 0.67 C ATOM 1408 C LEU A 74 -1.243 -13.734 -5.341 1.00 0.57 C ATOM 1409 O LEU A 74 -1.672 -14.887 -5.393 1.00 0.56 O ATOM 1410 CB LEU A 74 0.344 -13.176 -3.414 1.00 0.95 C ATOM 1411 CG LEU A 74 0.622 -14.402 -2.519 1.00 0.68 C ATOM 1412 CD1 LEU A 74 0.183 -14.150 -1.081 1.00 1.28 C ATOM 1413 CD2 LEU A 74 -0.047 -15.649 -3.067 1.00 1.71 C ATOM 0 H LEU A 74 -1.801 -13.868 -2.241 1.00 0.60 H new ATOM 0 HA LEU A 74 -1.180 -11.931 -4.192 1.00 0.67 H new ATOM 0 HB2 LEU A 74 1.048 -13.206 -4.245 1.00 0.95 H new ATOM 0 HB3 LEU A 74 0.574 -12.283 -2.833 1.00 0.95 H new ATOM 0 HG LEU A 74 1.700 -14.566 -2.522 1.00 0.68 H new ATOM 0 HD11 LEU A 74 0.393 -15.033 -0.477 1.00 1.28 H new ATOM 0 HD12 LEU A 74 0.729 -13.297 -0.678 1.00 1.28 H new ATOM 0 HD13 LEU A 74 -0.886 -13.940 -1.058 1.00 1.28 H new ATOM 0 HD21 LEU A 74 0.168 -16.494 -2.414 1.00 1.71 H new ATOM 0 HD22 LEU A 74 -1.125 -15.493 -3.115 1.00 1.71 H new ATOM 0 HD23 LEU A 74 0.334 -15.857 -4.067 1.00 1.71 H new ATOM 1425 N GLY A 75 -0.928 -13.037 -6.413 1.00 0.58 N ATOM 1426 CA GLY A 75 -1.203 -13.530 -7.749 1.00 0.56 C ATOM 1427 C GLY A 75 -2.649 -13.289 -8.150 1.00 0.51 C ATOM 1428 O GLY A 75 -3.074 -13.670 -9.243 1.00 0.59 O ATOM 0 H GLY A 75 -0.479 -12.122 -6.386 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -0.541 -13.039 -8.462 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -0.985 -14.597 -7.795 1.00 0.56 H new ATOM 1432 N GLU A 76 -3.404 -12.648 -7.267 1.00 0.42 N ATOM 1433 CA GLU A 76 -4.818 -12.406 -7.498 1.00 0.40 C ATOM 1434 C GLU A 76 -5.079 -10.906 -7.656 1.00 0.36 C ATOM 1435 O GLU A 76 -4.286 -10.077 -7.203 1.00 0.47 O ATOM 1436 CB GLU A 76 -5.620 -12.991 -6.330 1.00 0.44 C ATOM 1437 CG GLU A 76 -7.123 -13.002 -6.524 1.00 0.92 C ATOM 1438 CD GLU A 76 -7.845 -13.604 -5.339 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -8.019 -12.902 -4.320 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -8.254 -14.780 -5.420 1.00 1.59 O ATOM 0 H GLU A 76 -3.056 -12.285 -6.380 1.00 0.42 H new ATOM 0 HA GLU A 76 -5.133 -12.893 -8.421 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -5.284 -14.013 -6.155 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -5.390 -12.421 -5.430 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -7.475 -11.983 -6.683 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -7.368 -13.568 -7.423 1.00 0.92 H new ATOM 1447 N GLU A 77 -6.190 -10.571 -8.292 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.535 -9.185 -8.585 1.00 0.43 C ATOM 1449 C GLU A 77 -8.034 -8.995 -8.380 1.00 0.44 C ATOM 1450 O GLU A 77 -8.821 -9.909 -8.628 1.00 0.54 O ATOM 1451 CB GLU A 77 -6.146 -8.833 -10.018 1.00 0.53 C ATOM 1452 CG GLU A 77 -6.923 -9.610 -11.053 1.00 0.74 C ATOM 1453 CD GLU A 77 -6.098 -9.922 -12.282 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -5.493 -11.014 -12.336 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -6.052 -9.078 -13.202 1.00 0.90 O ATOM 0 H GLU A 77 -6.878 -11.249 -8.620 1.00 0.39 H new ATOM 0 HA GLU A 77 -5.988 -8.523 -7.914 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -6.304 -7.767 -10.179 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -5.081 -9.021 -10.155 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -7.279 -10.541 -10.612 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -7.804 -9.039 -11.346 1.00 0.74 H new ATOM 1462 N PHE A 78 -8.422 -7.829 -7.912 1.00 0.39 N ATOM 1463 CA PHE A 78 -9.814 -7.565 -7.564 1.00 0.41 C ATOM 1464 C PHE A 78 -10.204 -6.127 -7.886 1.00 0.42 C ATOM 1465 O PHE A 78 -9.341 -5.282 -8.100 1.00 0.42 O ATOM 1466 CB PHE A 78 -10.004 -7.827 -6.067 1.00 0.44 C ATOM 1467 CG PHE A 78 -8.924 -7.213 -5.216 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -7.801 -7.949 -4.864 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -9.021 -5.900 -4.785 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -6.800 -7.386 -4.101 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -8.023 -5.335 -4.018 1.00 0.57 C ATOM 1472 CZ PHE A 78 -6.911 -6.079 -3.678 1.00 0.52 C ATOM 0 H PHE A 78 -7.794 -7.040 -7.761 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.454 -8.224 -8.152 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -10.971 -7.433 -5.756 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -10.027 -8.903 -5.893 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -7.710 -8.974 -5.191 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -9.887 -5.312 -5.052 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -5.930 -7.968 -3.835 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -8.112 -4.312 -3.684 1.00 0.57 H new ATOM 0 HZ PHE A 78 -6.128 -5.637 -3.080 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.505 -5.860 -7.933 1.00 0.46 N ATOM 1483 CA GLN A 79 -12.000 -4.495 -8.052 1.00 0.51 C ATOM 1484 C GLN A 79 -12.004 -3.859 -6.668 1.00 0.50 C ATOM 1485 O GLN A 79 -12.283 -4.539 -5.677 1.00 0.54 O ATOM 1486 CB GLN A 79 -13.414 -4.480 -8.639 1.00 0.62 C ATOM 1487 CG GLN A 79 -13.906 -3.089 -9.009 1.00 1.00 C ATOM 1488 CD GLN A 79 -15.397 -3.051 -9.282 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -16.196 -2.801 -8.379 1.00 1.95 O ATOM 1490 NE2 GLN A 79 -15.784 -3.310 -10.521 1.00 1.94 N ATOM 0 H GLN A 79 -12.235 -6.571 -7.890 1.00 0.46 H new ATOM 0 HA GLN A 79 -11.352 -3.932 -8.723 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -13.436 -5.112 -9.527 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -14.102 -4.920 -7.917 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -13.671 -2.397 -8.200 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -13.370 -2.741 -9.892 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -15.090 -3.512 -11.240 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -16.776 -3.307 -10.756 1.00 1.94 H new ATOM 1499 N ASP A 80 -11.700 -2.574 -6.583 1.00 0.49 N ATOM 1500 CA ASP A 80 -11.537 -1.941 -5.279 1.00 0.49 C ATOM 1501 C ASP A 80 -11.996 -0.481 -5.274 1.00 0.52 C ATOM 1502 O ASP A 80 -12.084 0.168 -6.336 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.071 -2.031 -4.865 1.00 0.63 C ATOM 1504 CG ASP A 80 -9.858 -1.770 -3.390 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -10.069 -2.689 -2.583 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -9.500 -0.626 -3.027 1.00 1.26 O ATOM 0 H ASP A 80 -11.563 -1.956 -7.383 1.00 0.49 H new ATOM 0 HA ASP A 80 -12.169 -2.471 -4.566 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -9.689 -3.022 -5.112 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -9.491 -1.312 -5.443 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.272 0.016 -4.057 1.00 0.53 N ATOM 1512 CA GLU A 81 -12.713 1.387 -3.816 1.00 0.65 C ATOM 1513 C GLU A 81 -11.500 2.271 -3.580 1.00 0.63 C ATOM 1514 O GLU A 81 -11.219 2.666 -2.448 1.00 0.82 O ATOM 1515 CB GLU A 81 -13.601 1.444 -2.574 1.00 0.81 C ATOM 1516 CG GLU A 81 -14.773 0.490 -2.611 1.00 1.64 C ATOM 1517 CD GLU A 81 -15.854 0.931 -3.565 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -16.245 0.133 -4.444 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -16.313 2.085 -3.448 1.00 1.81 O ATOM 0 H GLU A 81 -12.192 -0.538 -3.204 1.00 0.53 H new ATOM 0 HA GLU A 81 -13.274 1.733 -4.684 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -12.994 1.224 -1.696 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -13.977 2.460 -2.455 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -14.421 -0.500 -2.900 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -15.193 0.399 -1.609 1.00 1.64 H new ATOM 1526 N ALA A 82 -10.809 2.586 -4.653 1.00 0.61 N ATOM 1527 CA ALA A 82 -9.509 3.242 -4.583 1.00 0.67 C ATOM 1528 C ALA A 82 -9.566 4.601 -3.886 1.00 0.60 C ATOM 1529 O ALA A 82 -10.567 5.314 -3.969 1.00 0.59 O ATOM 1530 CB ALA A 82 -8.956 3.396 -5.983 1.00 0.95 C ATOM 0 H ALA A 82 -11.128 2.397 -5.603 1.00 0.61 H new ATOM 0 HA ALA A 82 -8.853 2.613 -3.981 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -7.983 3.886 -5.938 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -8.846 2.413 -6.441 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -9.639 4.000 -6.580 1.00 0.95 H new ATOM 1536 N LEU A 83 -8.456 4.948 -3.212 1.00 0.60 N ATOM 1537 CA LEU A 83 -8.302 6.242 -2.528 1.00 0.58 C ATOM 1538 C LEU A 83 -8.610 7.383 -3.485 1.00 0.59 C ATOM 1539 O LEU A 83 -9.065 8.451 -3.084 1.00 0.62 O ATOM 1540 CB LEU A 83 -6.864 6.448 -1.999 1.00 0.66 C ATOM 1541 CG LEU A 83 -6.286 5.389 -1.046 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -7.317 4.940 -0.030 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -5.708 4.205 -1.812 1.00 1.34 C ATOM 0 H LEU A 83 -7.642 4.340 -3.127 1.00 0.60 H new ATOM 0 HA LEU A 83 -8.997 6.237 -1.689 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -6.199 6.521 -2.860 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -6.831 7.410 -1.488 1.00 0.66 H new ATOM 0 HG LEU A 83 -5.466 5.854 -0.499 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -6.877 4.191 0.629 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -7.643 5.796 0.561 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -8.174 4.509 -0.547 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -5.308 3.476 -1.107 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -6.492 3.740 -2.409 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -4.909 4.551 -2.468 1.00 1.34 H new ATOM 1555 N ASP A 84 -8.354 7.118 -4.754 1.00 0.60 N ATOM 1556 CA ASP A 84 -8.496 8.100 -5.830 1.00 0.67 C ATOM 1557 C ASP A 84 -9.973 8.391 -6.143 1.00 0.69 C ATOM 1558 O ASP A 84 -10.286 9.136 -7.073 1.00 0.78 O ATOM 1559 CB ASP A 84 -7.741 7.561 -7.056 1.00 0.70 C ATOM 1560 CG ASP A 84 -7.822 8.446 -8.284 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -7.157 9.501 -8.312 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -8.528 8.071 -9.244 1.00 1.39 O ATOM 0 H ASP A 84 -8.037 6.204 -5.077 1.00 0.60 H new ATOM 0 HA ASP A 84 -8.069 9.055 -5.525 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -6.693 7.425 -6.790 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -8.137 6.577 -7.306 1.00 0.70 H new ATOM 1567 N SER A 85 -10.870 7.820 -5.334 1.00 0.67 N ATOM 1568 CA SER A 85 -12.314 8.007 -5.485 1.00 0.74 C ATOM 1569 C SER A 85 -12.809 7.329 -6.756 1.00 0.77 C ATOM 1570 O SER A 85 -13.867 7.669 -7.291 1.00 1.09 O ATOM 1571 CB SER A 85 -12.685 9.497 -5.497 1.00 0.84 C ATOM 1572 OG SER A 85 -12.234 10.156 -4.323 1.00 1.21 O ATOM 0 H SER A 85 -10.614 7.214 -4.555 1.00 0.67 H new ATOM 0 HA SER A 85 -12.802 7.545 -4.626 1.00 0.74 H new ATOM 0 HB2 SER A 85 -12.248 9.975 -6.374 1.00 0.84 H new ATOM 0 HB3 SER A 85 -13.767 9.603 -5.582 1.00 0.84 H new ATOM 0 HG SER A 85 -12.484 11.103 -4.363 1.00 1.21 H new ATOM 1578 N THR A 86 -12.041 6.363 -7.228 1.00 0.67 N ATOM 1579 CA THR A 86 -12.368 5.651 -8.446 1.00 0.67 C ATOM 1580 C THR A 86 -12.550 4.164 -8.184 1.00 0.66 C ATOM 1581 O THR A 86 -12.109 3.635 -7.160 1.00 0.76 O ATOM 1582 CB THR A 86 -11.281 5.854 -9.514 1.00 0.76 C ATOM 1583 OG1 THR A 86 -9.977 5.821 -8.908 1.00 0.86 O ATOM 1584 CG2 THR A 86 -11.478 7.170 -10.246 1.00 0.93 C ATOM 0 H THR A 86 -11.179 6.053 -6.780 1.00 0.67 H new ATOM 0 HA THR A 86 -13.309 6.061 -8.814 1.00 0.67 H new ATOM 0 HB THR A 86 -11.361 5.042 -10.237 1.00 0.76 H new ATOM 0 HG1 THR A 86 -9.447 6.579 -9.231 1.00 0.86 H new ATOM 0 HG21 THR A 86 -10.696 7.290 -10.996 1.00 0.93 H new ATOM 0 HG22 THR A 86 -12.453 7.173 -10.734 1.00 0.93 H new ATOM 0 HG23 THR A 86 -11.427 7.994 -9.534 1.00 0.93 H new ATOM 1592 N GLN A 87 -13.195 3.495 -9.120 1.00 0.68 N ATOM 1593 CA GLN A 87 -13.455 2.074 -9.013 1.00 0.76 C ATOM 1594 C GLN A 87 -12.599 1.342 -10.019 1.00 0.66 C ATOM 1595 O GLN A 87 -12.841 1.447 -11.220 1.00 0.89 O ATOM 1596 CB GLN A 87 -14.922 1.795 -9.325 1.00 1.02 C ATOM 1597 CG GLN A 87 -15.891 2.672 -8.559 1.00 0.98 C ATOM 1598 CD GLN A 87 -16.225 2.134 -7.182 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -17.323 2.348 -6.673 1.00 1.88 O ATOM 1600 NE2 GLN A 87 -15.284 1.442 -6.560 1.00 1.33 N ATOM 0 H GLN A 87 -13.553 3.921 -9.975 1.00 0.68 H new ATOM 0 HA GLN A 87 -13.225 1.739 -8.002 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -15.089 1.934 -10.393 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -15.138 0.750 -9.101 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -15.465 3.670 -8.458 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -16.811 2.774 -9.135 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -14.384 1.284 -7.013 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -15.459 1.067 -5.628 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.600 0.612 -9.565 1.00 0.54 N ATOM 1610 CA HIS A 88 -10.729 -0.063 -10.517 1.00 0.53 C ATOM 1611 C HIS A 88 -10.067 -1.287 -9.931 1.00 0.49 C ATOM 1612 O HIS A 88 -10.225 -1.594 -8.752 1.00 0.51 O ATOM 1613 CB HIS A 88 -9.673 0.884 -11.090 1.00 0.63 C ATOM 1614 CG HIS A 88 -8.797 1.550 -10.082 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -7.793 0.898 -9.395 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -8.768 2.833 -9.667 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -7.185 1.759 -8.600 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -7.755 2.938 -8.750 1.00 0.97 N ATOM 0 H HIS A 88 -11.372 0.471 -8.581 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.375 -0.394 -11.330 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -9.043 0.323 -11.780 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -10.178 1.654 -11.673 1.00 0.63 H new ATOM 0 HD1 HIS A 88 -7.558 -0.090 -9.487 1.00 0.75 H new ATOM 0 HD2 HIS A 88 -9.421 3.628 -9.996 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -6.361 1.535 -7.939 1.00 0.73 H new ATOM 1627 N LYS A 89 -9.314 -1.970 -10.779 1.00 0.49 N ATOM 1628 CA LYS A 89 -8.701 -3.229 -10.427 1.00 0.49 C ATOM 1629 C LYS A 89 -7.418 -3.000 -9.644 1.00 0.45 C ATOM 1630 O LYS A 89 -6.724 -1.993 -9.830 1.00 0.50 O ATOM 1631 CB LYS A 89 -8.422 -4.030 -11.701 1.00 0.61 C ATOM 1632 CG LYS A 89 -8.112 -5.500 -11.457 1.00 1.06 C ATOM 1633 CD LYS A 89 -8.094 -6.286 -12.761 1.00 1.08 C ATOM 1634 CE LYS A 89 -6.910 -5.912 -13.641 1.00 1.15 C ATOM 1635 NZ LYS A 89 -5.626 -6.409 -13.085 1.00 1.49 N ATOM 0 H LYS A 89 -9.114 -1.662 -11.730 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.382 -3.794 -9.791 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -9.287 -3.957 -12.360 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -7.582 -3.575 -12.226 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -7.146 -5.593 -10.961 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -8.858 -5.924 -10.785 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -8.058 -7.353 -12.540 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -9.021 -6.105 -13.305 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -7.056 -6.323 -14.640 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -6.864 -4.828 -13.746 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -4.842 -6.104 -13.696 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -5.490 -6.024 -12.129 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -5.646 -7.448 -13.040 1.00 1.49 H new ATOM 1649 N ILE A 90 -7.137 -3.927 -8.752 1.00 0.38 N ATOM 1650 CA ILE A 90 -5.943 -3.910 -7.941 1.00 0.35 C ATOM 1651 C ILE A 90 -5.422 -5.327 -7.774 1.00 0.34 C ATOM 1652 O ILE A 90 -6.177 -6.236 -7.429 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.214 -3.280 -6.562 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -6.407 -1.770 -6.710 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -5.086 -3.601 -5.593 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -6.740 -1.069 -5.419 1.00 0.54 C ATOM 0 H ILE A 90 -7.744 -4.726 -8.569 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.193 -3.301 -8.445 1.00 0.35 H new ATOM 0 HB ILE A 90 -7.130 -3.705 -6.151 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -5.497 -1.336 -7.124 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -7.204 -1.584 -7.429 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.297 -3.146 -4.625 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -5.003 -4.682 -5.476 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.148 -3.205 -5.983 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -6.862 -0.002 -5.605 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -7.667 -1.475 -5.013 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -5.933 -1.222 -4.703 1.00 0.54 H new ATOM 1668 N THR A 91 -4.148 -5.511 -8.043 1.00 0.30 N ATOM 1669 CA THR A 91 -3.536 -6.821 -7.977 1.00 0.30 C ATOM 1670 C THR A 91 -2.497 -6.877 -6.864 1.00 0.28 C ATOM 1671 O THR A 91 -1.750 -5.918 -6.650 1.00 0.31 O ATOM 1672 CB THR A 91 -2.859 -7.166 -9.316 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.765 -6.937 -10.404 1.00 0.43 O ATOM 1674 CG2 THR A 91 -2.381 -8.612 -9.343 1.00 0.37 C ATOM 0 H THR A 91 -3.510 -4.762 -8.312 1.00 0.30 H new ATOM 0 HA THR A 91 -4.323 -7.546 -7.769 1.00 0.30 H new ATOM 0 HB THR A 91 -1.990 -6.517 -9.423 1.00 0.33 H new ATOM 0 HG1 THR A 91 -3.323 -7.158 -11.250 1.00 0.43 H new ATOM 0 HG21 THR A 91 -1.908 -8.821 -10.303 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.660 -8.772 -8.541 1.00 0.37 H new ATOM 0 HG23 THR A 91 -3.232 -9.279 -9.205 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.462 -7.995 -6.164 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.444 -8.249 -5.162 1.00 0.33 C ATOM 1684 C PHE A 92 -0.589 -9.411 -5.619 1.00 0.39 C ATOM 1685 O PHE A 92 -1.117 -10.437 -6.024 1.00 0.50 O ATOM 1686 CB PHE A 92 -2.070 -8.571 -3.803 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.307 -7.366 -2.942 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.335 -6.489 -3.244 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.514 -7.108 -1.839 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -3.570 -5.378 -2.462 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -1.743 -5.996 -1.054 1.00 0.46 C ATOM 1692 CZ PHE A 92 -2.719 -5.143 -1.334 1.00 0.52 C ATOM 0 H PHE A 92 -3.137 -8.752 -6.274 1.00 0.30 H new ATOM 0 HA PHE A 92 -0.835 -7.353 -5.045 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -3.019 -9.083 -3.963 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -1.420 -9.264 -3.270 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -3.961 -6.678 -4.104 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -0.708 -7.783 -1.590 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -4.378 -4.700 -2.695 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -1.114 -5.817 -0.194 1.00 0.46 H new ATOM 0 HZ PHE A 92 -2.872 -4.273 -0.713 1.00 0.52 H new ATOM 1702 N ASP A 93 0.720 -9.253 -5.571 1.00 0.37 N ATOM 1703 CA ASP A 93 1.617 -10.306 -6.024 1.00 0.43 C ATOM 1704 C ASP A 93 2.911 -10.291 -5.232 1.00 0.36 C ATOM 1705 O ASP A 93 3.473 -9.229 -4.958 1.00 0.39 O ATOM 1706 CB ASP A 93 1.915 -10.157 -7.520 1.00 0.58 C ATOM 1707 CG ASP A 93 2.900 -11.196 -8.027 1.00 0.80 C ATOM 1708 OD1 ASP A 93 2.581 -12.403 -7.972 1.00 1.69 O ATOM 1709 OD2 ASP A 93 3.999 -10.811 -8.489 1.00 1.24 O ATOM 0 H ASP A 93 1.186 -8.414 -5.226 1.00 0.37 H new ATOM 0 HA ASP A 93 1.121 -11.262 -5.860 1.00 0.43 H new ATOM 0 HB2 ASP A 93 0.985 -10.240 -8.082 1.00 0.58 H new ATOM 0 HB3 ASP A 93 2.314 -9.161 -7.709 1.00 0.58 H new ATOM 1714 N LEU A 94 3.367 -11.469 -4.853 1.00 0.42 N ATOM 1715 CA LEU A 94 4.639 -11.609 -4.171 1.00 0.51 C ATOM 1716 C LEU A 94 5.736 -11.788 -5.207 1.00 0.56 C ATOM 1717 O LEU A 94 5.832 -12.835 -5.848 1.00 0.63 O ATOM 1718 CB LEU A 94 4.604 -12.799 -3.209 1.00 0.61 C ATOM 1719 CG LEU A 94 4.656 -12.453 -1.715 1.00 0.64 C ATOM 1720 CD1 LEU A 94 5.986 -11.816 -1.356 1.00 1.02 C ATOM 1721 CD2 LEU A 94 3.511 -11.531 -1.331 1.00 1.12 C ATOM 0 H LEU A 94 2.872 -12.348 -5.007 1.00 0.42 H new ATOM 0 HA LEU A 94 4.839 -10.713 -3.584 1.00 0.51 H new ATOM 0 HB2 LEU A 94 3.694 -13.369 -3.399 1.00 0.61 H new ATOM 0 HB3 LEU A 94 5.444 -13.454 -3.440 1.00 0.61 H new ATOM 0 HG LEU A 94 4.553 -13.382 -1.153 1.00 0.64 H new ATOM 0 HD11 LEU A 94 6.001 -11.579 -0.292 1.00 1.02 H new ATOM 0 HD12 LEU A 94 6.795 -12.510 -1.584 1.00 1.02 H new ATOM 0 HD13 LEU A 94 6.119 -10.901 -1.933 1.00 1.02 H new ATOM 0 HD21 LEU A 94 3.570 -11.301 -0.267 1.00 1.12 H new ATOM 0 HD22 LEU A 94 3.579 -10.608 -1.906 1.00 1.12 H new ATOM 0 HD23 LEU A 94 2.561 -12.022 -1.543 1.00 1.12 H new ATOM 1733 N LYS A 95 6.559 -10.766 -5.367 1.00 0.58 N ATOM 1734 CA LYS A 95 7.562 -10.756 -6.420 1.00 0.66 C ATOM 1735 C LYS A 95 8.814 -11.460 -5.923 1.00 0.69 C ATOM 1736 O LYS A 95 9.306 -12.410 -6.536 1.00 0.78 O ATOM 1737 CB LYS A 95 7.885 -9.311 -6.815 1.00 0.70 C ATOM 1738 CG LYS A 95 8.624 -9.178 -8.137 1.00 0.91 C ATOM 1739 CD LYS A 95 7.760 -9.633 -9.302 1.00 1.61 C ATOM 1740 CE LYS A 95 8.420 -9.339 -10.638 1.00 2.08 C ATOM 1741 NZ LYS A 95 7.560 -9.743 -11.781 1.00 3.03 N ATOM 0 H LYS A 95 6.553 -9.931 -4.781 1.00 0.58 H new ATOM 0 HA LYS A 95 7.181 -11.279 -7.297 1.00 0.66 H new ATOM 0 HB2 LYS A 95 6.955 -8.745 -6.873 1.00 0.70 H new ATOM 0 HB3 LYS A 95 8.486 -8.857 -6.028 1.00 0.70 H new ATOM 0 HG2 LYS A 95 8.922 -8.140 -8.286 1.00 0.91 H new ATOM 0 HG3 LYS A 95 9.538 -9.771 -8.106 1.00 0.91 H new ATOM 0 HD2 LYS A 95 7.569 -10.703 -9.218 1.00 1.61 H new ATOM 0 HD3 LYS A 95 6.793 -9.132 -9.256 1.00 1.61 H new ATOM 0 HE2 LYS A 95 8.640 -8.274 -10.708 1.00 2.08 H new ATOM 0 HE3 LYS A 95 9.373 -9.866 -10.696 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 8.046 -9.526 -12.675 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 7.371 -10.764 -11.729 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 6.661 -9.222 -11.740 1.00 3.03 H new ATOM 1755 N ASP A 96 9.301 -10.992 -4.790 1.00 0.65 N ATOM 1756 CA ASP A 96 10.424 -11.610 -4.109 1.00 0.70 C ATOM 1757 C ASP A 96 9.969 -12.001 -2.713 1.00 0.65 C ATOM 1758 O ASP A 96 8.947 -11.504 -2.242 1.00 0.60 O ATOM 1759 CB ASP A 96 11.611 -10.641 -4.020 1.00 0.76 C ATOM 1760 CG ASP A 96 12.187 -10.279 -5.374 1.00 1.09 C ATOM 1761 OD1 ASP A 96 11.773 -9.247 -5.942 1.00 1.03 O ATOM 1762 OD2 ASP A 96 13.042 -11.034 -5.886 1.00 1.79 O ATOM 0 H ASP A 96 8.929 -10.170 -4.314 1.00 0.65 H new ATOM 0 HA ASP A 96 10.753 -12.487 -4.666 1.00 0.70 H new ATOM 0 HB2 ASP A 96 11.292 -9.731 -3.513 1.00 0.76 H new ATOM 0 HB3 ASP A 96 12.393 -11.090 -3.407 1.00 0.76 H new ATOM 1767 N PRO A 97 10.718 -12.873 -2.017 1.00 0.73 N ATOM 1768 CA PRO A 97 10.340 -13.368 -0.684 1.00 0.76 C ATOM 1769 C PRO A 97 10.383 -12.270 0.378 1.00 0.66 C ATOM 1770 O PRO A 97 10.184 -12.522 1.566 1.00 0.73 O ATOM 1771 CB PRO A 97 11.392 -14.449 -0.383 1.00 0.91 C ATOM 1772 CG PRO A 97 12.050 -14.736 -1.692 1.00 0.98 C ATOM 1773 CD PRO A 97 11.994 -13.450 -2.459 1.00 0.87 C ATOM 0 HA PRO A 97 9.316 -13.740 -0.668 1.00 0.76 H new ATOM 0 HB2 PRO A 97 12.116 -14.099 0.352 1.00 0.91 H new ATOM 0 HB3 PRO A 97 10.928 -15.345 0.029 1.00 0.91 H new ATOM 0 HG2 PRO A 97 13.080 -15.064 -1.550 1.00 0.98 H new ATOM 0 HG3 PRO A 97 11.532 -15.534 -2.225 1.00 0.98 H new ATOM 0 HD2 PRO A 97 12.837 -12.800 -2.224 1.00 0.87 H new ATOM 0 HD3 PRO A 97 12.012 -13.618 -3.536 1.00 0.87 H new ATOM 1781 N ASN A 98 10.637 -11.052 -0.072 1.00 0.57 N ATOM 1782 CA ASN A 98 10.693 -9.894 0.800 1.00 0.55 C ATOM 1783 C ASN A 98 10.143 -8.665 0.076 1.00 0.46 C ATOM 1784 O ASN A 98 10.415 -7.529 0.462 1.00 0.50 O ATOM 1785 CB ASN A 98 12.135 -9.637 1.261 1.00 0.68 C ATOM 1786 CG ASN A 98 13.088 -9.394 0.103 1.00 1.38 C ATOM 1787 OD1 ASN A 98 13.225 -8.271 -0.381 1.00 2.32 O ATOM 1788 ND2 ASN A 98 13.768 -10.443 -0.340 1.00 1.91 N ATOM 0 H ASN A 98 10.810 -10.840 -1.055 1.00 0.57 H new ATOM 0 HA ASN A 98 10.079 -10.090 1.679 1.00 0.55 H new ATOM 0 HB2 ASN A 98 12.151 -8.774 1.926 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.484 -10.492 1.840 1.00 0.68 H new ATOM 0 HD21 ASN A 98 14.431 -10.334 -1.107 1.00 1.91 H new ATOM 0 HD22 ASN A 98 13.628 -11.359 0.086 1.00 1.91 H new ATOM 1795 N THR A 99 9.365 -8.896 -0.979 1.00 0.43 N ATOM 1796 CA THR A 99 8.808 -7.802 -1.766 1.00 0.39 C ATOM 1797 C THR A 99 7.417 -8.144 -2.304 1.00 0.33 C ATOM 1798 O THR A 99 7.268 -8.995 -3.185 1.00 0.37 O ATOM 1799 CB THR A 99 9.730 -7.435 -2.947 1.00 0.48 C ATOM 1800 OG1 THR A 99 11.070 -7.230 -2.479 1.00 0.56 O ATOM 1801 CG2 THR A 99 9.243 -6.173 -3.647 1.00 0.51 C ATOM 0 H THR A 99 9.108 -9.827 -1.306 1.00 0.43 H new ATOM 0 HA THR A 99 8.726 -6.947 -1.095 1.00 0.39 H new ATOM 0 HB THR A 99 9.711 -8.260 -3.659 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.649 -6.999 -3.235 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.910 -5.936 -4.476 1.00 0.51 H new ATOM 0 HG22 THR A 99 8.235 -6.334 -4.028 1.00 0.51 H new ATOM 0 HG23 THR A 99 9.235 -5.344 -2.939 1.00 0.51 H new ATOM 1809 N LEU A 100 6.411 -7.479 -1.757 1.00 0.28 N ATOM 1810 CA LEU A 100 5.030 -7.619 -2.211 1.00 0.26 C ATOM 1811 C LEU A 100 4.708 -6.454 -3.147 1.00 0.27 C ATOM 1812 O LEU A 100 5.141 -5.344 -2.897 1.00 0.34 O ATOM 1813 CB LEU A 100 4.103 -7.627 -0.976 1.00 0.28 C ATOM 1814 CG LEU A 100 2.597 -7.828 -1.217 1.00 0.45 C ATOM 1815 CD1 LEU A 100 1.920 -8.231 0.083 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.944 -6.562 -1.749 1.00 1.10 C ATOM 0 H LEU A 100 6.526 -6.824 -0.983 1.00 0.28 H new ATOM 0 HA LEU A 100 4.883 -8.551 -2.756 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.444 -8.416 -0.305 1.00 0.28 H new ATOM 0 HB3 LEU A 100 4.236 -6.682 -0.450 1.00 0.28 H new ATOM 0 HG LEU A 100 2.480 -8.614 -1.963 1.00 0.45 H new ATOM 0 HD11 LEU A 100 0.853 -8.373 -0.091 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.355 -9.162 0.446 1.00 1.10 H new ATOM 0 HD13 LEU A 100 2.065 -7.448 0.827 1.00 1.10 H new ATOM 0 HD21 LEU A 100 0.880 -6.740 -1.908 1.00 1.10 H new ATOM 0 HD22 LEU A 100 2.073 -5.755 -1.027 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.410 -6.282 -2.694 1.00 1.10 H new ATOM 1828 N THR A 101 3.969 -6.684 -4.218 1.00 0.29 N ATOM 1829 CA THR A 101 3.624 -5.599 -5.133 1.00 0.31 C ATOM 1830 C THR A 101 2.116 -5.396 -5.211 1.00 0.30 C ATOM 1831 O THR A 101 1.355 -6.358 -5.333 1.00 0.31 O ATOM 1832 CB THR A 101 4.184 -5.849 -6.544 1.00 0.36 C ATOM 1833 OG1 THR A 101 3.943 -7.205 -6.944 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.672 -5.547 -6.592 1.00 0.41 C ATOM 0 H THR A 101 3.598 -7.598 -4.477 1.00 0.29 H new ATOM 0 HA THR A 101 4.081 -4.694 -4.732 1.00 0.31 H new ATOM 0 HB THR A 101 3.673 -5.181 -7.237 1.00 0.36 H new ATOM 0 HG1 THR A 101 4.303 -7.350 -7.844 1.00 0.36 H new ATOM 0 HG21 THR A 101 6.048 -5.730 -7.598 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.840 -4.503 -6.326 1.00 0.41 H new ATOM 0 HG23 THR A 101 6.197 -6.190 -5.886 1.00 0.41 H new ATOM 1842 N GLU A 102 1.699 -4.141 -5.110 1.00 0.31 N ATOM 1843 CA GLU A 102 0.292 -3.784 -5.229 1.00 0.33 C ATOM 1844 C GLU A 102 0.084 -2.951 -6.487 1.00 0.35 C ATOM 1845 O GLU A 102 0.460 -1.776 -6.535 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.178 -3.003 -3.994 1.00 0.39 C ATOM 1847 CG GLU A 102 -1.679 -2.745 -3.970 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.121 -1.915 -2.778 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -1.490 -2.032 -1.699 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -3.096 -1.155 -2.907 1.00 0.98 O ATOM 0 H GLU A 102 2.320 -3.349 -4.945 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.298 -4.698 -5.297 1.00 0.33 H new ATOM 0 HB2 GLU A 102 0.102 -3.556 -3.097 1.00 0.39 H new ATOM 0 HB3 GLU A 102 0.347 -2.048 -3.957 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -1.969 -2.234 -4.888 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.206 -3.699 -3.956 1.00 0.56 H new ATOM 1857 N THR A 103 -0.501 -3.560 -7.503 1.00 0.36 N ATOM 1858 CA THR A 103 -0.662 -2.910 -8.792 1.00 0.39 C ATOM 1859 C THR A 103 -2.094 -2.414 -8.988 1.00 0.39 C ATOM 1860 O THR A 103 -3.036 -3.205 -9.060 1.00 0.42 O ATOM 1861 CB THR A 103 -0.297 -3.881 -9.931 1.00 0.43 C ATOM 1862 OG1 THR A 103 0.952 -4.521 -9.638 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.193 -3.148 -11.262 1.00 0.46 C ATOM 0 H THR A 103 -0.874 -4.508 -7.460 1.00 0.36 H new ATOM 0 HA THR A 103 0.010 -2.052 -8.815 1.00 0.39 H new ATOM 0 HB THR A 103 -1.086 -4.628 -10.009 1.00 0.43 H new ATOM 0 HG1 THR A 103 1.181 -5.139 -10.363 1.00 0.51 H new ATOM 0 HG21 THR A 103 0.066 -3.857 -12.049 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.149 -2.680 -11.495 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.579 -2.382 -11.196 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.254 -1.102 -9.061 1.00 0.40 N ATOM 1872 CA HIS A 104 -3.555 -0.491 -9.295 1.00 0.45 C ATOM 1873 C HIS A 104 -3.718 -0.202 -10.777 1.00 0.40 C ATOM 1874 O HIS A 104 -2.931 0.549 -11.344 1.00 0.48 O ATOM 1875 CB HIS A 104 -3.700 0.844 -8.544 1.00 0.70 C ATOM 1876 CG HIS A 104 -3.313 0.828 -7.096 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -2.997 1.974 -6.390 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -3.226 -0.188 -6.208 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -2.737 1.658 -5.141 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -2.870 0.354 -5.003 1.00 1.69 N ATOM 0 H HIS A 104 -1.491 -0.433 -8.960 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.312 -1.189 -8.937 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -3.093 1.593 -9.054 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -4.738 1.170 -8.619 1.00 0.70 H new ATOM 0 HD1 HIS A 104 -2.970 2.917 -6.778 1.00 1.17 H new ATOM 0 HD2 HIS A 104 -3.404 -1.233 -6.412 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -2.461 2.350 -4.359 1.00 1.60 H new ATOM 1889 N ILE A 105 -4.716 -0.794 -11.411 1.00 0.45 N ATOM 1890 CA ILE A 105 -5.007 -0.474 -12.796 1.00 0.52 C ATOM 1891 C ILE A 105 -6.419 0.067 -12.946 1.00 0.54 C ATOM 1892 O ILE A 105 -7.399 -0.595 -12.590 1.00 0.55 O ATOM 1893 CB ILE A 105 -4.814 -1.686 -13.722 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -3.339 -2.091 -13.736 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -5.313 -1.376 -15.134 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -3.044 -3.208 -14.696 1.00 0.75 C ATOM 0 H ILE A 105 -5.332 -1.491 -10.993 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.296 0.296 -13.095 1.00 0.52 H new ATOM 0 HB ILE A 105 -5.403 -2.521 -13.342 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -2.733 -1.224 -13.999 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -3.042 -2.395 -12.732 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -5.166 -2.248 -15.771 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -6.374 -1.127 -15.099 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -4.755 -0.532 -15.540 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -1.982 -3.449 -14.659 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -3.625 -4.088 -14.420 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -3.311 -2.899 -15.707 1.00 0.75 H new ATOM 1908 N LYS A 106 -6.503 1.296 -13.427 1.00 0.59 N ATOM 1909 CA LYS A 106 -7.781 1.941 -13.679 1.00 0.63 C ATOM 1910 C LYS A 106 -8.531 1.256 -14.821 1.00 0.67 C ATOM 1911 O LYS A 106 -8.145 1.346 -15.981 1.00 0.70 O ATOM 1912 CB LYS A 106 -7.569 3.428 -13.963 1.00 0.73 C ATOM 1913 CG LYS A 106 -7.093 4.204 -12.741 1.00 0.81 C ATOM 1914 CD LYS A 106 -6.893 5.678 -13.048 1.00 1.05 C ATOM 1915 CE LYS A 106 -6.554 6.470 -11.793 1.00 1.47 C ATOM 1916 NZ LYS A 106 -6.103 7.849 -12.119 1.00 1.61 N ATOM 0 H LYS A 106 -5.692 1.872 -13.653 1.00 0.59 H new ATOM 0 HA LYS A 106 -8.400 1.846 -12.787 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -6.839 3.539 -14.765 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -8.503 3.861 -14.321 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -7.821 4.096 -11.937 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -6.156 3.778 -12.383 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -6.093 5.793 -13.779 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -7.798 6.082 -13.501 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -7.429 6.517 -11.145 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -5.772 5.953 -11.236 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -6.173 8.447 -11.271 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -5.115 7.824 -12.444 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -6.705 8.242 -12.870 1.00 1.61 H new ATOM 1930 N VAL A 107 -9.595 0.551 -14.451 1.00 0.70 N ATOM 1931 CA VAL A 107 -10.417 -0.201 -15.398 1.00 0.78 C ATOM 1932 C VAL A 107 -11.031 0.688 -16.481 1.00 0.86 C ATOM 1933 O VAL A 107 -11.415 0.202 -17.548 1.00 0.92 O ATOM 1934 CB VAL A 107 -11.539 -0.968 -14.688 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -10.970 -2.037 -13.772 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -12.405 -0.002 -13.922 1.00 1.11 C ATOM 0 H VAL A 107 -9.914 0.484 -13.484 1.00 0.70 H new ATOM 0 HA VAL A 107 -9.739 -0.908 -15.876 1.00 0.78 H new ATOM 0 HB VAL A 107 -12.152 -1.472 -15.435 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -11.786 -2.567 -13.280 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -10.381 -2.742 -14.358 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -10.334 -1.571 -13.019 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -13.202 -0.549 -13.418 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -11.800 0.521 -13.182 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -12.841 0.721 -14.611 1.00 1.11 H new ATOM 1946 N ASP A 108 -11.131 1.980 -16.201 1.00 0.89 N ATOM 1947 CA ASP A 108 -11.707 2.927 -17.146 1.00 1.00 C ATOM 1948 C ASP A 108 -10.680 3.316 -18.203 1.00 0.97 C ATOM 1949 O ASP A 108 -10.999 3.407 -19.391 1.00 1.06 O ATOM 1950 CB ASP A 108 -12.230 4.169 -16.409 1.00 1.05 C ATOM 1951 CG ASP A 108 -11.157 4.906 -15.627 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -11.061 6.143 -15.756 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -10.387 4.245 -14.897 1.00 2.50 O ATOM 0 H ASP A 108 -10.820 2.398 -15.324 1.00 0.89 H new ATOM 0 HA ASP A 108 -12.548 2.449 -17.648 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -12.674 4.852 -17.134 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -13.025 3.869 -15.726 1.00 1.05 H new ATOM 1958 N ASP A 109 -9.444 3.511 -17.768 1.00 0.91 N ATOM 1959 CA ASP A 109 -8.346 3.837 -18.664 1.00 0.92 C ATOM 1960 C ASP A 109 -7.055 3.298 -18.089 1.00 0.84 C ATOM 1961 O ASP A 109 -6.409 3.943 -17.260 1.00 0.85 O ATOM 1962 CB ASP A 109 -8.218 5.346 -18.899 1.00 1.03 C ATOM 1963 CG ASP A 109 -9.143 5.860 -19.981 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -10.186 6.460 -19.646 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -8.829 5.673 -21.176 1.00 1.94 O ATOM 0 H ASP A 109 -9.175 3.448 -16.786 1.00 0.91 H new ATOM 0 HA ASP A 109 -8.554 3.374 -19.629 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -8.430 5.872 -17.968 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -7.188 5.579 -19.169 1.00 1.03 H new ATOM 1970 N PRO A 110 -6.670 2.098 -18.531 1.00 0.80 N ATOM 1971 CA PRO A 110 -5.483 1.398 -18.034 1.00 0.78 C ATOM 1972 C PRO A 110 -4.186 2.031 -18.525 1.00 0.86 C ATOM 1973 O PRO A 110 -3.103 1.458 -18.385 1.00 0.90 O ATOM 1974 CB PRO A 110 -5.656 -0.009 -18.601 1.00 0.80 C ATOM 1975 CG PRO A 110 -6.449 0.182 -19.839 1.00 0.84 C ATOM 1976 CD PRO A 110 -7.379 1.317 -19.557 1.00 0.83 C ATOM 0 HA PRO A 110 -5.406 1.428 -16.947 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -4.692 -0.472 -18.815 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -6.173 -0.660 -17.896 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -5.802 0.408 -20.687 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -7.002 -0.723 -20.092 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -7.571 1.910 -20.451 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -8.345 0.964 -19.196 1.00 0.83 H new ATOM 1984 N THR A 111 -4.311 3.214 -19.109 1.00 0.93 N ATOM 1985 CA THR A 111 -3.168 4.012 -19.497 1.00 1.05 C ATOM 1986 C THR A 111 -2.555 4.637 -18.253 1.00 0.94 C ATOM 1987 O THR A 111 -1.368 4.975 -18.219 1.00 0.98 O ATOM 1988 CB THR A 111 -3.585 5.118 -20.480 1.00 1.30 C ATOM 1989 OG1 THR A 111 -4.684 5.861 -19.929 1.00 1.33 O ATOM 1990 CG2 THR A 111 -3.992 4.523 -21.817 1.00 1.47 C ATOM 0 H THR A 111 -5.210 3.644 -19.325 1.00 0.93 H new ATOM 0 HA THR A 111 -2.439 3.371 -19.992 1.00 1.05 H new ATOM 0 HB THR A 111 -2.735 5.781 -20.639 1.00 1.30 H new ATOM 0 HG1 THR A 111 -4.948 6.567 -20.555 1.00 1.33 H new ATOM 0 HG21 THR A 111 -4.283 5.323 -22.498 1.00 1.47 H new ATOM 0 HG22 THR A 111 -3.152 3.973 -22.241 1.00 1.47 H new ATOM 0 HG23 THR A 111 -4.833 3.845 -21.673 1.00 1.47 H new ATOM 1998 N ASP A 112 -3.388 4.788 -17.232 1.00 0.86 N ATOM 1999 CA ASP A 112 -2.940 5.260 -15.939 1.00 0.86 C ATOM 2000 C ASP A 112 -3.065 4.142 -14.920 1.00 0.79 C ATOM 2001 O ASP A 112 -4.160 3.631 -14.674 1.00 1.18 O ATOM 2002 CB ASP A 112 -3.762 6.467 -15.481 1.00 1.05 C ATOM 2003 CG ASP A 112 -3.233 7.075 -14.192 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -3.820 6.815 -13.124 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -2.217 7.800 -14.234 1.00 1.40 O ATOM 0 H ASP A 112 -4.387 4.587 -17.281 1.00 0.86 H new ATOM 0 HA ASP A 112 -1.898 5.567 -16.026 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -3.758 7.224 -16.265 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -4.799 6.163 -15.337 1.00 1.05 H new ATOM 2010 N VAL A 113 -1.948 3.757 -14.342 1.00 0.66 N ATOM 2011 CA VAL A 113 -1.921 2.738 -13.335 1.00 0.68 C ATOM 2012 C VAL A 113 -1.108 3.252 -12.159 1.00 0.60 C ATOM 2013 O VAL A 113 -0.816 4.446 -12.101 1.00 0.79 O ATOM 2014 CB VAL A 113 -1.354 1.415 -13.872 1.00 0.86 C ATOM 2015 CG1 VAL A 113 -2.187 0.894 -15.027 1.00 1.60 C ATOM 2016 CG2 VAL A 113 0.086 1.551 -14.296 1.00 1.23 C ATOM 0 H VAL A 113 -1.033 4.149 -14.564 1.00 0.66 H new ATOM 0 HA VAL A 113 -2.940 2.521 -13.015 1.00 0.68 H new ATOM 0 HB VAL A 113 -1.398 0.697 -13.053 1.00 0.86 H new ATOM 0 HG11 VAL A 113 -1.763 -0.043 -15.388 1.00 1.60 H new ATOM 0 HG12 VAL A 113 -3.210 0.724 -14.690 1.00 1.60 H new ATOM 0 HG13 VAL A 113 -2.188 1.626 -15.834 1.00 1.60 H new ATOM 0 HG21 VAL A 113 0.447 0.593 -14.669 1.00 1.23 H new ATOM 0 HG22 VAL A 113 0.164 2.300 -15.084 1.00 1.23 H new ATOM 0 HG23 VAL A 113 0.689 1.859 -13.442 1.00 1.23 H new ATOM 2026 N GLU A 114 -0.731 2.385 -11.235 1.00 0.45 N ATOM 2027 CA GLU A 114 -0.096 2.837 -10.006 1.00 0.47 C ATOM 2028 C GLU A 114 0.378 1.644 -9.188 1.00 0.44 C ATOM 2029 O GLU A 114 -0.414 0.773 -8.849 1.00 0.48 O ATOM 2030 CB GLU A 114 -1.117 3.658 -9.228 1.00 0.64 C ATOM 2031 CG GLU A 114 -0.611 4.290 -7.958 1.00 0.96 C ATOM 2032 CD GLU A 114 -1.682 5.157 -7.344 1.00 1.94 C ATOM 2033 OE1 GLU A 114 -2.625 4.595 -6.750 1.00 2.78 O ATOM 2034 OE2 GLU A 114 -1.537 6.402 -7.405 1.00 2.10 O ATOM 0 H GLU A 114 -0.851 1.375 -11.309 1.00 0.45 H new ATOM 0 HA GLU A 114 0.778 3.448 -10.230 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -1.495 4.446 -9.879 1.00 0.64 H new ATOM 0 HB3 GLU A 114 -1.962 3.015 -8.981 1.00 0.64 H new ATOM 0 HG2 GLU A 114 -0.311 3.515 -7.252 1.00 0.96 H new ATOM 0 HG3 GLU A 114 0.275 4.889 -8.169 1.00 0.96 H new ATOM 2041 N THR A 115 1.661 1.592 -8.870 1.00 0.45 N ATOM 2042 CA THR A 115 2.212 0.418 -8.217 1.00 0.45 C ATOM 2043 C THR A 115 2.980 0.769 -6.948 1.00 0.44 C ATOM 2044 O THR A 115 3.802 1.684 -6.933 1.00 0.51 O ATOM 2045 CB THR A 115 3.152 -0.345 -9.170 1.00 0.49 C ATOM 2046 OG1 THR A 115 2.567 -0.398 -10.480 1.00 0.53 O ATOM 2047 CG2 THR A 115 3.414 -1.761 -8.668 1.00 0.53 C ATOM 0 H THR A 115 2.332 2.339 -9.051 1.00 0.45 H new ATOM 0 HA THR A 115 1.364 -0.210 -7.945 1.00 0.45 H new ATOM 0 HB THR A 115 4.104 0.184 -9.210 1.00 0.49 H new ATOM 0 HG1 THR A 115 3.166 -0.882 -11.086 1.00 0.53 H new ATOM 0 HG21 THR A 115 4.080 -2.275 -9.361 1.00 0.53 H new ATOM 0 HG22 THR A 115 3.878 -1.718 -7.683 1.00 0.53 H new ATOM 0 HG23 THR A 115 2.471 -2.304 -8.601 1.00 0.53 H new ATOM 2055 N TYR A 116 2.694 0.026 -5.887 1.00 0.41 N ATOM 2056 CA TYR A 116 3.505 0.066 -4.680 1.00 0.43 C ATOM 2057 C TYR A 116 4.314 -1.215 -4.634 1.00 0.38 C ATOM 2058 O TYR A 116 4.000 -2.165 -5.352 1.00 0.39 O ATOM 2059 CB TYR A 116 2.664 0.106 -3.397 1.00 0.54 C ATOM 2060 CG TYR A 116 1.549 1.125 -3.339 1.00 0.57 C ATOM 2061 CD1 TYR A 116 1.645 2.367 -3.954 1.00 0.79 C ATOM 2062 CD2 TYR A 116 0.394 0.837 -2.625 1.00 0.80 C ATOM 2063 CE1 TYR A 116 0.616 3.287 -3.858 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -0.635 1.747 -2.528 1.00 0.91 C ATOM 2065 CZ TYR A 116 -0.521 2.969 -3.144 1.00 0.80 C ATOM 2066 OH TYR A 116 -1.549 3.875 -3.042 1.00 0.96 O ATOM 0 H TYR A 116 1.902 -0.615 -5.839 1.00 0.41 H new ATOM 0 HA TYR A 116 4.115 0.969 -4.719 1.00 0.43 H new ATOM 0 HB2 TYR A 116 2.228 -0.882 -3.247 1.00 0.54 H new ATOM 0 HB3 TYR A 116 3.335 0.290 -2.558 1.00 0.54 H new ATOM 0 HD1 TYR A 116 2.534 2.618 -4.514 1.00 0.79 H new ATOM 0 HD2 TYR A 116 0.300 -0.121 -2.135 1.00 0.80 H new ATOM 0 HE1 TYR A 116 0.702 4.250 -4.340 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -1.527 1.501 -1.971 1.00 0.91 H new ATOM 0 HH TYR A 116 -2.273 3.489 -2.505 1.00 0.96 H new ATOM 2076 N GLU A 117 5.325 -1.277 -3.787 1.00 0.37 N ATOM 2077 CA GLU A 117 5.971 -2.535 -3.488 1.00 0.35 C ATOM 2078 C GLU A 117 6.424 -2.494 -2.032 1.00 0.34 C ATOM 2079 O GLU A 117 7.098 -1.559 -1.597 1.00 0.44 O ATOM 2080 CB GLU A 117 7.129 -2.832 -4.449 1.00 0.44 C ATOM 2081 CG GLU A 117 8.245 -1.811 -4.422 1.00 0.92 C ATOM 2082 CD GLU A 117 9.299 -2.074 -5.472 1.00 0.83 C ATOM 2083 OE1 GLU A 117 10.227 -2.869 -5.206 1.00 1.27 O ATOM 2084 OE2 GLU A 117 9.208 -1.487 -6.569 1.00 1.18 O ATOM 0 H GLU A 117 5.713 -0.471 -3.297 1.00 0.37 H new ATOM 0 HA GLU A 117 5.266 -3.355 -3.629 1.00 0.35 H new ATOM 0 HB2 GLU A 117 7.543 -3.811 -4.207 1.00 0.44 H new ATOM 0 HB3 GLU A 117 6.735 -2.895 -5.464 1.00 0.44 H new ATOM 0 HG2 GLU A 117 7.826 -0.816 -4.574 1.00 0.92 H new ATOM 0 HG3 GLU A 117 8.711 -1.813 -3.437 1.00 0.92 H new ATOM 2091 N TYR A 118 5.988 -3.482 -1.279 1.00 0.29 N ATOM 2092 CA TYR A 118 6.154 -3.505 0.160 1.00 0.29 C ATOM 2093 C TYR A 118 7.411 -4.263 0.555 1.00 0.31 C ATOM 2094 O TYR A 118 7.509 -5.476 0.359 1.00 0.41 O ATOM 2095 CB TYR A 118 4.927 -4.148 0.814 1.00 0.32 C ATOM 2096 CG TYR A 118 3.639 -3.373 0.619 1.00 0.35 C ATOM 2097 CD1 TYR A 118 3.021 -2.747 1.691 1.00 0.50 C ATOM 2098 CD2 TYR A 118 3.040 -3.257 -0.632 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.857 -2.033 1.522 1.00 0.58 C ATOM 2100 CE2 TYR A 118 1.881 -2.548 -0.802 1.00 0.52 C ATOM 2101 CZ TYR A 118 1.297 -1.939 0.274 1.00 0.50 C ATOM 2102 OH TYR A 118 0.156 -1.223 0.091 1.00 0.60 O ATOM 0 H TYR A 118 5.504 -4.299 -1.651 1.00 0.29 H new ATOM 0 HA TYR A 118 6.255 -2.477 0.509 1.00 0.29 H new ATOM 0 HB2 TYR A 118 4.798 -5.152 0.409 1.00 0.32 H new ATOM 0 HB3 TYR A 118 5.114 -4.256 1.882 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.461 -2.821 2.675 1.00 0.50 H new ATOM 0 HD2 TYR A 118 3.498 -3.735 -1.485 1.00 0.47 H new ATOM 0 HE1 TYR A 118 1.388 -1.550 2.366 1.00 0.58 H new ATOM 0 HE2 TYR A 118 1.431 -2.470 -1.781 1.00 0.52 H new ATOM 0 HH TYR A 118 -0.341 -1.589 -0.670 1.00 0.60 H new ATOM 2112 N ARG A 119 8.371 -3.532 1.092 1.00 0.31 N ATOM 2113 CA ARG A 119 9.590 -4.118 1.621 1.00 0.35 C ATOM 2114 C ARG A 119 9.707 -3.751 3.093 1.00 0.35 C ATOM 2115 O ARG A 119 9.339 -2.655 3.474 1.00 0.42 O ATOM 2116 CB ARG A 119 10.805 -3.595 0.852 1.00 0.46 C ATOM 2117 CG ARG A 119 10.720 -3.807 -0.651 1.00 1.14 C ATOM 2118 CD ARG A 119 11.970 -3.304 -1.351 1.00 1.30 C ATOM 2119 NE ARG A 119 11.874 -3.413 -2.806 1.00 1.83 N ATOM 2120 CZ ARG A 119 12.892 -3.738 -3.599 1.00 2.50 C ATOM 2121 NH1 ARG A 119 14.078 -4.043 -3.083 1.00 2.76 N ATOM 2122 NH2 ARG A 119 12.718 -3.760 -4.911 1.00 3.41 N ATOM 0 H ARG A 119 8.328 -2.516 1.174 1.00 0.31 H new ATOM 0 HA ARG A 119 9.555 -5.202 1.510 1.00 0.35 H new ATOM 0 HB2 ARG A 119 10.919 -2.530 1.053 1.00 0.46 H new ATOM 0 HB3 ARG A 119 11.701 -4.088 1.229 1.00 0.46 H new ATOM 0 HG2 ARG A 119 10.583 -4.867 -0.864 1.00 1.14 H new ATOM 0 HG3 ARG A 119 9.846 -3.288 -1.045 1.00 1.14 H new ATOM 0 HD2 ARG A 119 12.143 -2.263 -1.078 1.00 1.30 H new ATOM 0 HD3 ARG A 119 12.832 -3.872 -1.003 1.00 1.30 H new ATOM 0 HE ARG A 119 10.970 -3.228 -3.240 1.00 1.83 H new ATOM 0 HH11 ARG A 119 14.213 -4.029 -2.072 1.00 2.76 H new ATOM 0 HH12 ARG A 119 14.853 -4.291 -3.698 1.00 2.76 H new ATOM 0 HH21 ARG A 119 11.808 -3.529 -5.309 1.00 3.41 H new ATOM 0 HH22 ARG A 119 13.494 -4.008 -5.524 1.00 3.41 H new ATOM 2136 N ARG A 120 10.188 -4.655 3.926 1.00 0.36 N ATOM 2137 CA ARG A 120 10.268 -4.372 5.355 1.00 0.41 C ATOM 2138 C ARG A 120 11.664 -3.921 5.744 1.00 0.46 C ATOM 2139 O ARG A 120 12.660 -4.362 5.165 1.00 0.63 O ATOM 2140 CB ARG A 120 9.889 -5.584 6.215 1.00 0.49 C ATOM 2141 CG ARG A 120 8.474 -6.103 6.007 1.00 1.06 C ATOM 2142 CD ARG A 120 8.373 -6.961 4.759 1.00 0.97 C ATOM 2143 NE ARG A 120 9.489 -7.907 4.673 1.00 1.27 N ATOM 2144 CZ ARG A 120 9.365 -9.233 4.637 1.00 1.56 C ATOM 2145 NH1 ARG A 120 8.171 -9.805 4.727 1.00 1.62 N ATOM 2146 NH2 ARG A 120 10.448 -9.990 4.541 1.00 1.96 N ATOM 0 H ARG A 120 10.525 -5.577 3.649 1.00 0.36 H new ATOM 0 HA ARG A 120 9.550 -3.574 5.544 1.00 0.41 H new ATOM 0 HB2 ARG A 120 10.590 -6.392 6.007 1.00 0.49 H new ATOM 0 HB3 ARG A 120 10.012 -5.318 7.265 1.00 0.49 H new ATOM 0 HG2 ARG A 120 8.168 -6.686 6.876 1.00 1.06 H new ATOM 0 HG3 ARG A 120 7.785 -5.262 5.928 1.00 1.06 H new ATOM 0 HD2 ARG A 120 7.430 -7.507 4.766 1.00 0.97 H new ATOM 0 HD3 ARG A 120 8.365 -6.323 3.876 1.00 0.97 H new ATOM 0 HE ARG A 120 10.432 -7.521 4.638 1.00 1.27 H new ATOM 0 HH11 ARG A 120 7.335 -9.228 4.825 1.00 1.62 H new ATOM 0 HH12 ARG A 120 8.089 -10.821 4.698 1.00 1.62 H new ATOM 0 HH21 ARG A 120 11.370 -9.557 4.495 1.00 1.96 H new ATOM 0 HH22 ARG A 120 10.359 -11.006 4.513 1.00 1.96 H new ATOM 2160 N ASP A 121 11.722 -3.038 6.722 1.00 0.49 N ATOM 2161 CA ASP A 121 12.978 -2.609 7.310 1.00 0.59 C ATOM 2162 C ASP A 121 12.821 -2.552 8.821 1.00 0.66 C ATOM 2163 O ASP A 121 12.796 -1.480 9.424 1.00 1.08 O ATOM 2164 CB ASP A 121 13.409 -1.246 6.756 1.00 0.67 C ATOM 2165 CG ASP A 121 14.850 -0.908 7.090 1.00 0.82 C ATOM 2166 OD1 ASP A 121 15.761 -1.321 6.344 1.00 0.96 O ATOM 2167 OD2 ASP A 121 15.081 -0.232 8.120 1.00 0.88 O ATOM 0 H ASP A 121 10.899 -2.597 7.132 1.00 0.49 H new ATOM 0 HA ASP A 121 13.758 -3.325 7.052 1.00 0.59 H new ATOM 0 HB2 ASP A 121 13.280 -1.241 5.674 1.00 0.67 H new ATOM 0 HB3 ASP A 121 12.756 -0.472 7.158 1.00 0.67 H new ATOM 2172 N GLY A 122 12.665 -3.723 9.421 1.00 0.73 N ATOM 2173 CA GLY A 122 12.476 -3.811 10.853 1.00 0.83 C ATOM 2174 C GLY A 122 11.067 -3.440 11.270 1.00 0.78 C ATOM 2175 O GLY A 122 10.117 -4.169 10.978 1.00 0.92 O ATOM 0 H GLY A 122 12.666 -4.620 8.936 1.00 0.73 H new ATOM 0 HA2 GLY A 122 12.696 -4.826 11.185 1.00 0.83 H new ATOM 0 HA3 GLY A 122 13.186 -3.152 11.352 1.00 0.83 H new ATOM 2179 N ASP A 123 10.931 -2.302 11.936 1.00 0.70 N ATOM 2180 CA ASP A 123 9.627 -1.824 12.394 1.00 0.78 C ATOM 2181 C ASP A 123 9.014 -0.890 11.361 1.00 0.64 C ATOM 2182 O ASP A 123 8.001 -0.237 11.614 1.00 0.75 O ATOM 2183 CB ASP A 123 9.751 -1.092 13.736 1.00 0.98 C ATOM 2184 CG ASP A 123 10.069 -2.022 14.887 1.00 1.67 C ATOM 2185 OD1 ASP A 123 9.127 -2.513 15.544 1.00 2.17 O ATOM 2186 OD2 ASP A 123 11.267 -2.281 15.137 1.00 2.31 O ATOM 0 H ASP A 123 11.710 -1.688 12.174 1.00 0.70 H new ATOM 0 HA ASP A 123 8.980 -2.691 12.527 1.00 0.78 H new ATOM 0 HB2 ASP A 123 10.532 -0.335 13.661 1.00 0.98 H new ATOM 0 HB3 ASP A 123 8.819 -0.568 13.946 1.00 0.98 H new ATOM 2191 N TYR A 124 9.650 -0.825 10.203 1.00 0.48 N ATOM 2192 CA TYR A 124 9.191 0.031 9.127 1.00 0.36 C ATOM 2193 C TYR A 124 8.779 -0.788 7.922 1.00 0.33 C ATOM 2194 O TYR A 124 9.541 -1.627 7.440 1.00 0.39 O ATOM 2195 CB TYR A 124 10.290 1.012 8.711 1.00 0.32 C ATOM 2196 CG TYR A 124 10.706 1.954 9.809 1.00 0.37 C ATOM 2197 CD1 TYR A 124 11.771 1.648 10.645 1.00 0.46 C ATOM 2198 CD2 TYR A 124 10.029 3.146 10.014 1.00 0.49 C ATOM 2199 CE1 TYR A 124 12.148 2.504 11.658 1.00 0.53 C ATOM 2200 CE2 TYR A 124 10.401 4.010 11.024 1.00 0.58 C ATOM 2201 CZ TYR A 124 11.460 3.683 11.843 1.00 0.56 C ATOM 2202 OH TYR A 124 11.827 4.537 12.857 1.00 0.67 O ATOM 0 H TYR A 124 10.491 -1.360 9.985 1.00 0.48 H new ATOM 0 HA TYR A 124 8.328 0.586 9.495 1.00 0.36 H new ATOM 0 HB2 TYR A 124 11.161 0.448 8.378 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.942 1.594 7.857 1.00 0.32 H new ATOM 0 HD1 TYR A 124 12.313 0.725 10.500 1.00 0.46 H new ATOM 0 HD2 TYR A 124 9.198 3.403 9.374 1.00 0.49 H new ATOM 0 HE1 TYR A 124 12.977 2.252 12.302 1.00 0.53 H new ATOM 0 HE2 TYR A 124 9.866 4.936 11.172 1.00 0.58 H new ATOM 0 HH TYR A 124 11.411 5.413 12.714 1.00 0.67 H new ATOM 2212 N LEU A 125 7.571 -0.561 7.451 1.00 0.30 N ATOM 2213 CA LEU A 125 7.175 -1.055 6.155 1.00 0.30 C ATOM 2214 C LEU A 125 7.549 0.015 5.148 1.00 0.27 C ATOM 2215 O LEU A 125 7.089 1.151 5.237 1.00 0.31 O ATOM 2216 CB LEU A 125 5.669 -1.333 6.089 1.00 0.36 C ATOM 2217 CG LEU A 125 5.255 -2.683 5.481 1.00 0.44 C ATOM 2218 CD1 LEU A 125 3.768 -2.681 5.179 1.00 1.03 C ATOM 2219 CD2 LEU A 125 6.047 -3.011 4.218 1.00 0.88 C ATOM 0 H LEU A 125 6.849 -0.038 7.947 1.00 0.30 H new ATOM 0 HA LEU A 125 7.678 -1.999 5.947 1.00 0.30 H new ATOM 0 HB2 LEU A 125 5.265 -1.274 7.100 1.00 0.36 H new ATOM 0 HB3 LEU A 125 5.199 -0.538 5.511 1.00 0.36 H new ATOM 0 HG LEU A 125 5.478 -3.457 6.216 1.00 0.44 H new ATOM 0 HD11 LEU A 125 3.483 -3.641 4.749 1.00 1.03 H new ATOM 0 HD12 LEU A 125 3.210 -2.516 6.101 1.00 1.03 H new ATOM 0 HD13 LEU A 125 3.542 -1.884 4.471 1.00 1.03 H new ATOM 0 HD21 LEU A 125 5.721 -3.973 3.824 1.00 0.88 H new ATOM 0 HD22 LEU A 125 5.877 -2.236 3.471 1.00 0.88 H new ATOM 0 HD23 LEU A 125 7.109 -3.058 4.457 1.00 0.88 H new ATOM 2231 N VAL A 126 8.380 -0.337 4.201 1.00 0.29 N ATOM 2232 CA VAL A 126 8.910 0.642 3.287 1.00 0.34 C ATOM 2233 C VAL A 126 8.175 0.549 1.970 1.00 0.36 C ATOM 2234 O VAL A 126 8.342 -0.404 1.206 1.00 0.43 O ATOM 2235 CB VAL A 126 10.422 0.480 3.053 1.00 0.41 C ATOM 2236 CG1 VAL A 126 10.964 1.689 2.306 1.00 0.46 C ATOM 2237 CG2 VAL A 126 11.154 0.288 4.374 1.00 0.47 C ATOM 0 H VAL A 126 8.704 -1.291 4.043 1.00 0.29 H new ATOM 0 HA VAL A 126 8.761 1.623 3.738 1.00 0.34 H new ATOM 0 HB VAL A 126 10.589 -0.409 2.446 1.00 0.41 H new ATOM 0 HG11 VAL A 126 12.035 1.567 2.144 1.00 0.46 H new ATOM 0 HG12 VAL A 126 10.460 1.778 1.344 1.00 0.46 H new ATOM 0 HG13 VAL A 126 10.786 2.590 2.894 1.00 0.46 H new ATOM 0 HG21 VAL A 126 12.222 0.175 4.185 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.988 1.156 5.012 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.777 -0.605 4.872 1.00 0.47 H new ATOM 2247 N MET A 127 7.328 1.527 1.744 1.00 0.38 N ATOM 2248 CA MET A 127 6.567 1.605 0.523 1.00 0.46 C ATOM 2249 C MET A 127 7.420 2.201 -0.575 1.00 0.33 C ATOM 2250 O MET A 127 7.901 3.328 -0.459 1.00 0.33 O ATOM 2251 CB MET A 127 5.312 2.444 0.734 1.00 0.65 C ATOM 2252 CG MET A 127 4.530 2.701 -0.540 1.00 0.87 C ATOM 2253 SD MET A 127 2.762 2.805 -0.239 1.00 1.08 S ATOM 2254 CE MET A 127 2.469 1.157 0.380 1.00 0.66 C ATOM 0 H MET A 127 7.149 2.287 2.400 1.00 0.38 H new ATOM 0 HA MET A 127 6.264 0.600 0.229 1.00 0.46 H new ATOM 0 HB2 MET A 127 4.665 1.940 1.452 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.594 3.400 1.176 1.00 0.65 H new ATOM 0 HG2 MET A 127 4.875 3.629 -0.995 1.00 0.87 H new ATOM 0 HG3 MET A 127 4.729 1.902 -1.254 1.00 0.87 H new ATOM 0 HE1 MET A 127 1.537 0.773 -0.035 1.00 0.66 H new ATOM 0 HE2 MET A 127 3.293 0.506 0.087 1.00 0.66 H new ATOM 0 HE3 MET A 127 2.398 1.184 1.467 1.00 0.66 H new ATOM 2264 N LYS A 128 7.609 1.447 -1.634 1.00 0.33 N ATOM 2265 CA LYS A 128 8.396 1.910 -2.749 1.00 0.35 C ATOM 2266 C LYS A 128 7.502 2.008 -3.973 1.00 0.35 C ATOM 2267 O LYS A 128 6.940 1.015 -4.433 1.00 0.44 O ATOM 2268 CB LYS A 128 9.579 0.969 -2.999 1.00 0.55 C ATOM 2269 CG LYS A 128 10.440 1.363 -4.188 1.00 0.82 C ATOM 2270 CD LYS A 128 11.096 2.717 -3.983 1.00 0.99 C ATOM 2271 CE LYS A 128 11.866 3.152 -5.218 1.00 1.42 C ATOM 2272 NZ LYS A 128 12.967 2.211 -5.558 1.00 2.20 N ATOM 0 H LYS A 128 7.226 0.508 -1.745 1.00 0.33 H new ATOM 0 HA LYS A 128 8.806 2.895 -2.528 1.00 0.35 H new ATOM 0 HB2 LYS A 128 10.202 0.940 -2.105 1.00 0.55 H new ATOM 0 HB3 LYS A 128 9.200 -0.041 -3.156 1.00 0.55 H new ATOM 0 HG2 LYS A 128 11.209 0.607 -4.347 1.00 0.82 H new ATOM 0 HG3 LYS A 128 9.827 1.389 -5.089 1.00 0.82 H new ATOM 0 HD2 LYS A 128 10.334 3.460 -3.747 1.00 0.99 H new ATOM 0 HD3 LYS A 128 11.772 2.670 -3.129 1.00 0.99 H new ATOM 0 HE2 LYS A 128 11.181 3.227 -6.063 1.00 1.42 H new ATOM 0 HE3 LYS A 128 12.279 4.147 -5.054 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 13.556 2.623 -6.309 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 13.551 2.040 -4.714 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 12.565 1.311 -5.889 1.00 2.20 H new ATOM 2286 N MET A 129 7.342 3.217 -4.465 1.00 0.36 N ATOM 2287 CA MET A 129 6.468 3.484 -5.592 1.00 0.41 C ATOM 2288 C MET A 129 7.170 4.422 -6.563 1.00 0.35 C ATOM 2289 O MET A 129 7.978 5.257 -6.149 1.00 0.40 O ATOM 2290 CB MET A 129 5.140 4.068 -5.081 1.00 0.49 C ATOM 2291 CG MET A 129 5.326 5.138 -4.019 1.00 1.02 C ATOM 2292 SD MET A 129 3.952 5.254 -2.856 1.00 1.11 S ATOM 2293 CE MET A 129 2.665 5.946 -3.884 1.00 0.50 C ATOM 0 H MET A 129 7.813 4.044 -4.097 1.00 0.36 H new ATOM 0 HA MET A 129 6.241 2.562 -6.127 1.00 0.41 H new ATOM 0 HB2 MET A 129 4.589 4.491 -5.921 1.00 0.49 H new ATOM 0 HB3 MET A 129 4.529 3.263 -4.673 1.00 0.49 H new ATOM 0 HG2 MET A 129 6.242 4.932 -3.466 1.00 1.02 H new ATOM 0 HG3 MET A 129 5.459 6.103 -4.508 1.00 1.02 H new ATOM 0 HE1 MET A 129 1.708 5.875 -3.366 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.889 6.992 -4.092 1.00 0.50 H new ATOM 0 HE3 MET A 129 2.612 5.393 -4.822 1.00 0.50 H new ATOM 2303 N SER A 130 6.904 4.263 -7.850 1.00 0.34 N ATOM 2304 CA SER A 130 7.613 5.029 -8.862 1.00 0.33 C ATOM 2305 C SER A 130 6.729 5.328 -10.070 1.00 0.33 C ATOM 2306 O SER A 130 5.966 4.473 -10.528 1.00 0.38 O ATOM 2307 CB SER A 130 8.871 4.270 -9.291 1.00 0.39 C ATOM 2308 OG SER A 130 8.587 2.898 -9.537 1.00 1.06 O ATOM 0 H SER A 130 6.207 3.615 -8.217 1.00 0.34 H new ATOM 0 HA SER A 130 7.897 5.987 -8.427 1.00 0.33 H new ATOM 0 HB2 SER A 130 9.284 4.725 -10.191 1.00 0.39 H new ATOM 0 HB3 SER A 130 9.631 4.353 -8.514 1.00 0.39 H new ATOM 0 HG SER A 130 9.408 2.438 -9.811 1.00 1.06 H new ATOM 2314 N TRP A 131 6.825 6.558 -10.557 1.00 0.32 N ATOM 2315 CA TRP A 131 6.108 6.977 -11.753 1.00 0.34 C ATOM 2316 C TRP A 131 6.950 7.967 -12.536 1.00 0.34 C ATOM 2317 O TRP A 131 7.468 8.926 -11.968 1.00 0.33 O ATOM 2318 CB TRP A 131 4.769 7.619 -11.379 1.00 0.36 C ATOM 2319 CG TRP A 131 3.808 7.691 -12.525 1.00 0.39 C ATOM 2320 CD1 TRP A 131 3.532 8.775 -13.303 1.00 0.46 C ATOM 2321 CD2 TRP A 131 3.004 6.624 -13.028 1.00 0.47 C ATOM 2322 NE1 TRP A 131 2.598 8.449 -14.254 1.00 0.52 N ATOM 2323 CE2 TRP A 131 2.261 7.133 -14.109 1.00 0.54 C ATOM 2324 CE3 TRP A 131 2.839 5.287 -12.671 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 1.368 6.351 -14.833 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 1.955 4.513 -13.389 1.00 0.73 C ATOM 2327 CH2 TRP A 131 1.229 5.046 -14.461 1.00 0.76 C ATOM 0 H TRP A 131 7.399 7.289 -10.137 1.00 0.32 H new ATOM 0 HA TRP A 131 5.914 6.099 -12.369 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.315 7.050 -10.568 1.00 0.36 H new ATOM 0 HB3 TRP A 131 4.949 8.625 -11.001 1.00 0.36 H new ATOM 0 HD1 TRP A 131 3.983 9.750 -13.188 1.00 0.46 H new ATOM 0 HE1 TRP A 131 2.218 9.085 -14.955 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.394 4.866 -11.846 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 0.806 6.761 -15.659 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 1.819 3.476 -13.120 1.00 0.73 H new ATOM 0 HH2 TRP A 131 0.545 4.411 -15.004 1.00 0.76 H new ATOM 2338 N LYS A 132 7.078 7.725 -13.836 1.00 0.37 N ATOM 2339 CA LYS A 132 7.899 8.556 -14.711 1.00 0.40 C ATOM 2340 C LYS A 132 9.312 8.715 -14.153 1.00 0.39 C ATOM 2341 O LYS A 132 9.879 9.807 -14.167 1.00 0.42 O ATOM 2342 CB LYS A 132 7.264 9.935 -14.916 1.00 0.44 C ATOM 2343 CG LYS A 132 5.899 9.897 -15.579 1.00 0.68 C ATOM 2344 CD LYS A 132 5.321 11.295 -15.725 1.00 1.22 C ATOM 2345 CE LYS A 132 3.910 11.264 -16.285 1.00 1.43 C ATOM 2346 NZ LYS A 132 3.860 10.679 -17.649 1.00 1.96 N ATOM 0 H LYS A 132 6.617 6.950 -14.312 1.00 0.37 H new ATOM 0 HA LYS A 132 7.959 8.051 -15.675 1.00 0.40 H new ATOM 0 HB2 LYS A 132 7.172 10.428 -13.948 1.00 0.44 H new ATOM 0 HB3 LYS A 132 7.934 10.545 -15.522 1.00 0.44 H new ATOM 0 HG2 LYS A 132 5.981 9.430 -16.560 1.00 0.68 H new ATOM 0 HG3 LYS A 132 5.222 9.280 -14.988 1.00 0.68 H new ATOM 0 HD2 LYS A 132 5.316 11.790 -14.754 1.00 1.22 H new ATOM 0 HD3 LYS A 132 5.960 11.886 -16.381 1.00 1.22 H new ATOM 0 HE2 LYS A 132 3.270 10.685 -15.620 1.00 1.43 H new ATOM 0 HE3 LYS A 132 3.509 12.277 -16.311 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 2.906 10.801 -18.044 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 4.552 11.160 -18.259 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 4.088 9.665 -17.601 1.00 1.96 H new ATOM 2360 N GLY A 133 9.863 7.625 -13.642 1.00 0.40 N ATOM 2361 CA GLY A 133 11.203 7.656 -13.087 1.00 0.42 C ATOM 2362 C GLY A 133 11.246 8.205 -11.669 1.00 0.40 C ATOM 2363 O GLY A 133 12.179 7.919 -10.917 1.00 0.53 O ATOM 0 H GLY A 133 9.405 6.715 -13.601 1.00 0.40 H new ATOM 0 HA2 GLY A 133 11.616 6.647 -13.093 1.00 0.42 H new ATOM 0 HA3 GLY A 133 11.841 8.266 -13.726 1.00 0.42 H new ATOM 2367 N VAL A 134 10.243 8.992 -11.301 1.00 0.35 N ATOM 2368 CA VAL A 134 10.192 9.587 -9.973 1.00 0.34 C ATOM 2369 C VAL A 134 9.931 8.507 -8.938 1.00 0.36 C ATOM 2370 O VAL A 134 8.810 8.015 -8.802 1.00 0.40 O ATOM 2371 CB VAL A 134 9.100 10.668 -9.845 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.275 11.434 -8.542 1.00 0.38 C ATOM 2373 CG2 VAL A 134 9.117 11.611 -11.037 1.00 0.43 C ATOM 0 H VAL A 134 9.455 9.232 -11.903 1.00 0.35 H new ATOM 0 HA VAL A 134 11.157 10.065 -9.805 1.00 0.34 H new ATOM 0 HB VAL A 134 8.128 10.175 -9.832 1.00 0.38 H new ATOM 0 HG11 VAL A 134 8.499 12.195 -8.460 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.197 10.745 -7.701 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.255 11.912 -8.529 1.00 0.38 H new ATOM 0 HG21 VAL A 134 8.336 12.362 -10.918 1.00 0.43 H new ATOM 0 HG22 VAL A 134 10.088 12.103 -11.098 1.00 0.43 H new ATOM 0 HG23 VAL A 134 8.940 11.045 -11.951 1.00 0.43 H new ATOM 2383 N SER A 135 10.978 8.118 -8.236 1.00 0.38 N ATOM 2384 CA SER A 135 10.878 7.089 -7.244 1.00 0.42 C ATOM 2385 C SER A 135 10.784 7.696 -5.855 1.00 0.40 C ATOM 2386 O SER A 135 11.472 8.666 -5.534 1.00 0.51 O ATOM 2387 CB SER A 135 12.096 6.200 -7.333 1.00 0.50 C ATOM 2388 OG SER A 135 12.463 5.964 -8.687 1.00 1.14 O ATOM 0 H SER A 135 11.913 8.510 -8.344 1.00 0.38 H new ATOM 0 HA SER A 135 9.977 6.503 -7.425 1.00 0.42 H new ATOM 0 HB2 SER A 135 12.928 6.665 -6.804 1.00 0.50 H new ATOM 0 HB3 SER A 135 11.893 5.250 -6.838 1.00 0.50 H new ATOM 0 HG SER A 135 13.255 5.387 -8.716 1.00 1.14 H new ATOM 2394 N THR A 136 9.937 7.114 -5.044 1.00 0.35 N ATOM 2395 CA THR A 136 9.725 7.586 -3.692 1.00 0.34 C ATOM 2396 C THR A 136 9.627 6.416 -2.721 1.00 0.31 C ATOM 2397 O THR A 136 9.048 5.372 -3.038 1.00 0.34 O ATOM 2398 CB THR A 136 8.458 8.471 -3.597 1.00 0.38 C ATOM 2399 OG1 THR A 136 8.172 8.790 -2.235 1.00 0.40 O ATOM 2400 CG2 THR A 136 7.256 7.784 -4.217 1.00 0.39 C ATOM 0 H THR A 136 9.375 6.302 -5.298 1.00 0.35 H new ATOM 0 HA THR A 136 10.585 8.196 -3.417 1.00 0.34 H new ATOM 0 HB THR A 136 8.658 9.388 -4.151 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.768 9.508 -1.935 1.00 0.40 H new ATOM 0 HG21 THR A 136 6.383 8.432 -4.134 1.00 0.39 H new ATOM 0 HG22 THR A 136 7.456 7.579 -5.269 1.00 0.39 H new ATOM 0 HG23 THR A 136 7.063 6.847 -3.695 1.00 0.39 H new ATOM 2408 N SER A 137 10.225 6.591 -1.552 1.00 0.33 N ATOM 2409 CA SER A 137 10.161 5.593 -0.501 1.00 0.32 C ATOM 2410 C SER A 137 9.437 6.168 0.707 1.00 0.31 C ATOM 2411 O SER A 137 9.949 7.059 1.388 1.00 0.40 O ATOM 2412 CB SER A 137 11.570 5.143 -0.107 1.00 0.39 C ATOM 2413 OG SER A 137 12.315 4.732 -1.242 1.00 0.79 O ATOM 0 H SER A 137 10.763 7.422 -1.309 1.00 0.33 H new ATOM 0 HA SER A 137 9.612 4.726 -0.868 1.00 0.32 H new ATOM 0 HB2 SER A 137 12.088 5.960 0.395 1.00 0.39 H new ATOM 0 HB3 SER A 137 11.506 4.321 0.606 1.00 0.39 H new ATOM 0 HG SER A 137 13.211 4.452 -0.961 1.00 0.79 H new ATOM 2419 N ARG A 138 8.234 5.682 0.950 1.00 0.35 N ATOM 2420 CA ARG A 138 7.450 6.128 2.087 1.00 0.44 C ATOM 2421 C ARG A 138 7.564 5.125 3.227 1.00 0.39 C ATOM 2422 O ARG A 138 7.303 3.936 3.050 1.00 0.43 O ATOM 2423 CB ARG A 138 5.991 6.347 1.682 1.00 0.63 C ATOM 2424 CG ARG A 138 5.050 6.528 2.860 1.00 1.08 C ATOM 2425 CD ARG A 138 3.736 7.158 2.435 1.00 0.88 C ATOM 2426 NE ARG A 138 3.822 8.616 2.394 1.00 0.82 N ATOM 2427 CZ ARG A 138 2.764 9.417 2.400 1.00 1.07 C ATOM 2428 NH1 ARG A 138 1.542 8.900 2.335 1.00 1.84 N ATOM 2429 NH2 ARG A 138 2.924 10.733 2.471 1.00 1.63 N ATOM 0 H ARG A 138 7.777 4.976 0.373 1.00 0.35 H new ATOM 0 HA ARG A 138 7.843 7.083 2.435 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.929 7.226 1.041 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.656 5.496 1.089 1.00 0.63 H new ATOM 0 HG2 ARG A 138 4.857 5.561 3.324 1.00 1.08 H new ATOM 0 HG3 ARG A 138 5.527 7.154 3.614 1.00 1.08 H new ATOM 0 HD2 ARG A 138 3.454 6.783 1.451 1.00 0.88 H new ATOM 0 HD3 ARG A 138 2.949 6.860 3.127 1.00 0.88 H new ATOM 0 HE ARG A 138 4.748 9.042 2.359 1.00 0.82 H new ATOM 0 HH11 ARG A 138 1.418 7.889 2.281 1.00 1.84 H new ATOM 0 HH12 ARG A 138 0.728 9.514 2.340 1.00 1.84 H new ATOM 0 HH21 ARG A 138 3.862 11.131 2.521 1.00 1.63 H new ATOM 0 HH22 ARG A 138 2.109 11.346 2.475 1.00 1.63 H new ATOM 2443 N TYR A 139 7.957 5.610 4.392 1.00 0.39 N ATOM 2444 CA TYR A 139 8.242 4.742 5.519 1.00 0.36 C ATOM 2445 C TYR A 139 7.050 4.654 6.456 1.00 0.34 C ATOM 2446 O TYR A 139 6.699 5.622 7.139 1.00 0.39 O ATOM 2447 CB TYR A 139 9.480 5.239 6.266 1.00 0.42 C ATOM 2448 CG TYR A 139 10.725 5.250 5.409 1.00 0.44 C ATOM 2449 CD1 TYR A 139 11.109 6.393 4.720 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.507 4.112 5.281 1.00 0.50 C ATOM 2451 CE1 TYR A 139 12.241 6.400 3.928 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.640 4.111 4.492 1.00 0.56 C ATOM 2453 CZ TYR A 139 13.003 5.256 3.817 1.00 0.56 C ATOM 2454 OH TYR A 139 14.128 5.257 3.026 1.00 0.64 O ATOM 0 H TYR A 139 8.086 6.604 4.582 1.00 0.39 H new ATOM 0 HA TYR A 139 8.441 3.740 5.138 1.00 0.36 H new ATOM 0 HB2 TYR A 139 9.293 6.247 6.637 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.651 4.605 7.136 1.00 0.42 H new ATOM 0 HD1 TYR A 139 10.514 7.290 4.805 1.00 0.46 H new ATOM 0 HD2 TYR A 139 11.225 3.212 5.807 1.00 0.50 H new ATOM 0 HE1 TYR A 139 12.528 7.297 3.399 1.00 0.52 H new ATOM 0 HE2 TYR A 139 13.239 3.217 4.404 1.00 0.56 H new ATOM 0 HH TYR A 139 14.551 4.374 3.058 1.00 0.64 H new ATOM 2464 N TYR A 140 6.433 3.488 6.477 1.00 0.29 N ATOM 2465 CA TYR A 140 5.303 3.236 7.347 1.00 0.27 C ATOM 2466 C TYR A 140 5.785 2.602 8.642 1.00 0.29 C ATOM 2467 O TYR A 140 6.374 1.524 8.645 1.00 0.37 O ATOM 2468 CB TYR A 140 4.264 2.352 6.650 1.00 0.27 C ATOM 2469 CG TYR A 140 3.409 3.107 5.655 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.278 3.794 6.077 1.00 0.39 C ATOM 2471 CD2 TYR A 140 3.736 3.150 4.303 1.00 0.45 C ATOM 2472 CE1 TYR A 140 1.497 4.503 5.188 1.00 0.48 C ATOM 2473 CE2 TYR A 140 2.953 3.856 3.405 1.00 0.52 C ATOM 2474 CZ TYR A 140 1.835 4.532 3.853 1.00 0.48 C ATOM 2475 OH TYR A 140 1.063 5.260 2.974 1.00 0.60 O ATOM 0 H TYR A 140 6.700 2.694 5.895 1.00 0.29 H new ATOM 0 HA TYR A 140 4.819 4.184 7.583 1.00 0.27 H new ATOM 0 HB2 TYR A 140 4.775 1.538 6.136 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.619 1.898 7.403 1.00 0.27 H new ATOM 0 HD1 TYR A 140 2.005 3.773 7.122 1.00 0.39 H new ATOM 0 HD2 TYR A 140 4.612 2.626 3.949 1.00 0.45 H new ATOM 0 HE1 TYR A 140 0.624 5.033 5.538 1.00 0.48 H new ATOM 0 HE2 TYR A 140 3.216 3.878 2.358 1.00 0.52 H new ATOM 0 HH TYR A 140 1.433 5.180 2.070 1.00 0.60 H new ATOM 2485 N LYS A 141 5.529 3.284 9.736 1.00 0.37 N ATOM 2486 CA LYS A 141 5.999 2.877 11.038 1.00 0.48 C ATOM 2487 C LYS A 141 4.841 2.247 11.783 1.00 0.45 C ATOM 2488 O LYS A 141 3.809 2.866 11.881 1.00 0.54 O ATOM 2489 CB LYS A 141 6.540 4.120 11.764 1.00 0.69 C ATOM 2490 CG LYS A 141 6.464 4.072 13.282 1.00 0.72 C ATOM 2491 CD LYS A 141 7.225 2.898 13.861 1.00 0.97 C ATOM 2492 CE LYS A 141 8.719 3.000 13.615 1.00 1.45 C ATOM 2493 NZ LYS A 141 9.324 4.199 14.256 1.00 1.92 N ATOM 0 H LYS A 141 4.983 4.145 9.745 1.00 0.37 H new ATOM 0 HA LYS A 141 6.802 2.144 10.971 1.00 0.48 H new ATOM 0 HB2 LYS A 141 7.580 4.266 11.473 1.00 0.69 H new ATOM 0 HB3 LYS A 141 5.987 4.993 11.417 1.00 0.69 H new ATOM 0 HG2 LYS A 141 6.864 4.999 13.693 1.00 0.72 H new ATOM 0 HG3 LYS A 141 5.420 4.012 13.589 1.00 0.72 H new ATOM 0 HD2 LYS A 141 7.039 2.841 14.934 1.00 0.97 H new ATOM 0 HD3 LYS A 141 6.850 1.973 13.423 1.00 0.97 H new ATOM 0 HE2 LYS A 141 9.208 2.103 13.996 1.00 1.45 H new ATOM 0 HE3 LYS A 141 8.905 3.034 12.542 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 10.350 4.203 14.086 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 8.903 5.059 13.851 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 9.143 4.174 15.280 1.00 1.92 H new ATOM 2507 N LYS A 142 5.045 1.029 12.298 1.00 0.44 N ATOM 2508 CA LYS A 142 3.993 0.191 12.924 1.00 0.43 C ATOM 2509 C LYS A 142 2.980 0.991 13.780 1.00 0.36 C ATOM 2510 O LYS A 142 3.233 2.129 14.153 1.00 0.34 O ATOM 2511 CB LYS A 142 4.687 -0.864 13.794 1.00 0.54 C ATOM 2512 CG LYS A 142 3.778 -1.979 14.287 1.00 0.87 C ATOM 2513 CD LYS A 142 4.564 -3.022 15.061 1.00 1.30 C ATOM 2514 CE LYS A 142 3.679 -4.166 15.522 1.00 1.43 C ATOM 2515 NZ LYS A 142 4.444 -5.194 16.274 1.00 2.13 N ATOM 0 H LYS A 142 5.961 0.581 12.296 1.00 0.44 H new ATOM 0 HA LYS A 142 3.410 -0.261 12.122 1.00 0.43 H new ATOM 0 HB2 LYS A 142 5.504 -1.305 13.223 1.00 0.54 H new ATOM 0 HB3 LYS A 142 5.132 -0.368 14.657 1.00 0.54 H new ATOM 0 HG2 LYS A 142 2.997 -1.562 14.923 1.00 0.87 H new ATOM 0 HG3 LYS A 142 3.281 -2.449 13.439 1.00 0.87 H new ATOM 0 HD2 LYS A 142 5.366 -3.412 14.434 1.00 1.30 H new ATOM 0 HD3 LYS A 142 5.034 -2.555 15.926 1.00 1.30 H new ATOM 0 HE2 LYS A 142 2.881 -3.775 16.153 1.00 1.43 H new ATOM 0 HE3 LYS A 142 3.204 -4.628 14.657 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 3.802 -5.957 16.570 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 5.190 -5.586 15.665 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 4.876 -4.759 17.114 1.00 2.13 H new ATOM 2529 N GLN A 143 1.789 0.442 14.017 1.00 0.44 N ATOM 2530 CA GLN A 143 0.941 0.975 15.081 1.00 0.53 C ATOM 2531 C GLN A 143 1.304 0.348 16.420 1.00 0.68 C ATOM 2532 O GLN A 143 2.068 0.973 17.182 1.00 1.46 O ATOM 2533 CB GLN A 143 -0.535 0.740 14.796 1.00 0.55 C ATOM 2534 CG GLN A 143 -0.991 1.312 13.471 1.00 0.63 C ATOM 2535 CD GLN A 143 -2.327 1.999 13.590 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -3.376 1.389 13.404 1.00 1.34 O ATOM 2537 NE2 GLN A 143 -2.291 3.269 13.935 1.00 1.28 N ATOM 2538 OXT GLN A 143 0.827 -0.769 16.699 1.00 1.19 O ATOM 0 H GLN A 143 1.398 -0.348 13.504 1.00 0.44 H new ATOM 0 HA GLN A 143 1.116 2.050 15.123 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -0.733 -0.332 14.808 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -1.127 1.183 15.597 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -0.248 2.022 13.106 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -1.057 0.512 12.733 1.00 0.63 H new ATOM 0 HE21 GLN A 143 -1.394 3.733 14.079 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -3.160 3.789 14.059 1.00 1.28 H new