USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 808 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 39 MET CE :methyl -175:sc= -0.645 (180deg=-0.329) USER MOD Set 1.2: A 61 TYR OH : rot -70:sc= -0.153 USER MOD Set 2.1: A 14 ASN : amide:sc= -0.817 K(o=-0.89,f=-0.071) USER MOD Set 2.2: A 31 ASN : amide:sc= 1.55 K(o=-0.89,f=-6.1!) USER MOD Set 2.3: A 33 SER OG : rot 84:sc= -1.62! USER MOD Single : A 16 CYS SG : rot 25:sc= 0.0127 USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 0.572 (180deg=0.535) USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 1.14 (180deg=1.14) USER MOD Single : A 32 THR OG1 : rot -36:sc= 0.638 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 37 GLN : amide:sc= -0.0506 X(o=-0.051,f=-0.12) USER MOD Single : A 44 MET CE :methyl 146:sc= -0.286 (180deg=-1.54) USER MOD Single : A 47 LYS NZ :NH3+ -155:sc= -0.135 (180deg=-0.707) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -179:sc= 0.229 (180deg=0.207) USER MOD Single : A 57 TYR OH : rot 93:sc= 0.745 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= 1.26 (180deg=0.613) USER MOD Single : A 67 GLN : amide:sc= -0.799 K(o=-0.8,f=-0.075) USER MOD Single : A 68 THR OG1 : rot -170:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.01! X(o=-2!,f=-1.8) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -160:sc= -0.107 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 143:sc= -2.09! (180deg=-4.48!) USER MOD Single : A 90 ASN : amide:sc= -0.844 K(o=-0.84,f=-1.4!) USER MOD Single : A 91 GLN : amide:sc= -6.03! C(o=-6!,f=-13!) USER MOD Single : A 92 ASN : amide:sc=-0.00961 X(o=-0.0096,f=-0.048) USER MOD Single : A 93 SER OG : rot 66:sc= 0.853 USER MOD Single : A 96 THR OG1 : rot 140:sc= -1.05 USER MOD Single : A 101 LYS NZ :NH3+ -126:sc= -1.04 (180deg=-3.31!) USER MOD Single : A 105 LYS NZ :NH3+ -139:sc= 1.16 (180deg=-0.247) USER MOD Single : A 106 ASN : amide:sc= -1.68 K(o=-1.7,f=-9.3!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 114 GLN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N ASN A 14 -10.047 -6.881 4.909 1.00 51.33 N ATOM 203 CA ASN A 14 -9.103 -7.323 5.945 1.00 42.21 C ATOM 204 C ASN A 14 -7.641 -7.204 5.480 1.00 45.32 C ATOM 205 O ASN A 14 -6.756 -7.894 5.995 1.00 53.04 O ATOM 206 CB ASN A 14 -9.413 -8.770 6.345 1.00 34.30 C ATOM 207 CG ASN A 14 -10.825 -8.944 6.878 1.00 61.42 C ATOM 208 OD1 ASN A 14 -11.444 -9.985 6.696 1.00 73.24 O ATOM 209 ND2 ASN A 14 -11.346 -7.937 7.553 1.00 33.13 N ATOM 0 HA ASN A 14 -9.225 -6.669 6.808 1.00 42.21 H new ATOM 0 HB2 ASN A 14 -9.273 -9.419 5.480 1.00 34.30 H new ATOM 0 HB3 ASN A 14 -8.701 -9.093 7.104 1.00 34.30 H new ATOM 0 HD21 ASN A 14 -12.287 -8.014 7.938 1.00 33.13 H new ATOM 0 HD22 ASN A 14 -10.808 -7.082 7.689 1.00 33.13 H new ATOM 216 N VAL A 15 -7.395 -6.329 4.508 1.00 11.14 N ATOM 217 CA VAL A 15 -6.032 -6.042 4.048 1.00 30.43 C ATOM 218 C VAL A 15 -5.548 -4.701 4.624 1.00 43.12 C ATOM 219 O VAL A 15 -5.937 -3.632 4.153 1.00 72.35 O ATOM 220 CB VAL A 15 -5.946 -6.009 2.500 1.00 72.13 C ATOM 221 CG1 VAL A 15 -4.509 -5.756 2.033 1.00 73.22 C ATOM 222 CG2 VAL A 15 -6.495 -7.308 1.902 1.00 61.23 C ATOM 0 H VAL A 15 -8.121 -5.804 4.021 1.00 11.14 H new ATOM 0 HA VAL A 15 -5.388 -6.846 4.405 1.00 30.43 H new ATOM 0 HB VAL A 15 -6.561 -5.182 2.144 1.00 72.13 H new ATOM 0 HG11 VAL A 15 -4.478 -5.738 0.944 1.00 73.22 H new ATOM 0 HG12 VAL A 15 -4.163 -4.798 2.422 1.00 73.22 H new ATOM 0 HG13 VAL A 15 -3.861 -6.552 2.401 1.00 73.22 H new ATOM 0 HG21 VAL A 15 -6.426 -7.266 0.815 1.00 61.23 H new ATOM 0 HG22 VAL A 15 -5.912 -8.153 2.270 1.00 61.23 H new ATOM 0 HG23 VAL A 15 -7.538 -7.431 2.195 1.00 61.23 H new ATOM 232 N CYS A 16 -4.710 -4.769 5.651 1.00 45.32 N ATOM 233 CA CYS A 16 -4.267 -3.569 6.378 1.00 73.03 C ATOM 234 C CYS A 16 -2.815 -3.200 6.048 1.00 31.32 C ATOM 235 O CYS A 16 -1.994 -4.065 5.734 1.00 45.02 O ATOM 236 CB CYS A 16 -4.394 -3.797 7.890 1.00 41.21 C ATOM 237 SG CYS A 16 -3.356 -5.143 8.517 1.00 54.24 S ATOM 0 H CYS A 16 -4.318 -5.641 6.006 1.00 45.32 H new ATOM 0 HA CYS A 16 -4.908 -2.745 6.064 1.00 73.03 H new ATOM 0 HB2 CYS A 16 -4.131 -2.876 8.410 1.00 41.21 H new ATOM 0 HB3 CYS A 16 -5.435 -4.012 8.129 1.00 41.21 H new ATOM 0 HG CYS A 16 -2.343 -5.317 7.721 1.00 54.24 H new ATOM 243 N ILE A 17 -2.501 -1.906 6.132 1.00 71.24 N ATOM 244 CA ILE A 17 -1.129 -1.426 5.929 1.00 42.05 C ATOM 245 C ILE A 17 -0.272 -1.697 7.173 1.00 61.43 C ATOM 246 O ILE A 17 -0.523 -1.137 8.243 1.00 13.04 O ATOM 247 CB ILE A 17 -1.089 0.094 5.624 1.00 34.32 C ATOM 248 CG1 ILE A 17 -2.008 0.436 4.441 1.00 2.30 C ATOM 249 CG2 ILE A 17 0.346 0.548 5.340 1.00 13.11 C ATOM 250 CD1 ILE A 17 -2.082 1.918 4.133 1.00 62.34 C ATOM 0 H ILE A 17 -3.176 -1.170 6.339 1.00 71.24 H new ATOM 0 HA ILE A 17 -0.730 -1.969 5.072 1.00 42.05 H new ATOM 0 HB ILE A 17 -1.451 0.628 6.502 1.00 34.32 H new ATOM 0 HG12 ILE A 17 -1.656 -0.093 3.555 1.00 2.30 H new ATOM 0 HG13 ILE A 17 -3.012 0.068 4.654 1.00 2.30 H new ATOM 0 HG21 ILE A 17 0.354 1.617 5.128 1.00 13.11 H new ATOM 0 HG22 ILE A 17 0.971 0.346 6.210 1.00 13.11 H new ATOM 0 HG23 ILE A 17 0.736 0.005 4.479 1.00 13.11 H new ATOM 0 HD11 ILE A 17 -2.749 2.081 3.287 1.00 62.34 H new ATOM 0 HD12 ILE A 17 -2.463 2.452 5.003 1.00 62.34 H new ATOM 0 HD13 ILE A 17 -1.087 2.289 3.887 1.00 62.34 H new ATOM 262 N GLU A 18 0.739 -2.546 7.033 1.00 35.02 N ATOM 263 CA GLU A 18 1.590 -2.913 8.168 1.00 63.33 C ATOM 264 C GLU A 18 2.709 -1.883 8.390 1.00 45.13 C ATOM 265 O GLU A 18 3.002 -1.507 9.526 1.00 41.34 O ATOM 266 CB GLU A 18 2.186 -4.314 7.965 1.00 43.43 C ATOM 267 CG GLU A 18 2.961 -4.826 9.175 1.00 51.10 C ATOM 268 CD GLU A 18 3.513 -6.226 8.968 1.00 70.12 C ATOM 269 OE1 GLU A 18 4.601 -6.353 8.372 1.00 3.20 O ATOM 270 OE2 GLU A 18 2.865 -7.199 9.405 1.00 73.44 O ATOM 0 H GLU A 18 0.992 -2.993 6.152 1.00 35.02 H new ATOM 0 HA GLU A 18 0.964 -2.923 9.060 1.00 63.33 H new ATOM 0 HB2 GLU A 18 1.381 -5.013 7.736 1.00 43.43 H new ATOM 0 HB3 GLU A 18 2.849 -4.297 7.100 1.00 43.43 H new ATOM 0 HG2 GLU A 18 3.783 -4.144 9.390 1.00 51.10 H new ATOM 0 HG3 GLU A 18 2.308 -4.823 10.048 1.00 51.10 H new ATOM 277 N GLU A 19 3.330 -1.423 7.304 1.00 71.11 N ATOM 278 CA GLU A 19 4.402 -0.425 7.403 1.00 41.21 C ATOM 279 C GLU A 19 4.516 0.428 6.128 1.00 74.12 C ATOM 280 O GLU A 19 4.241 -0.039 5.022 1.00 74.23 O ATOM 281 CB GLU A 19 5.745 -1.112 7.693 1.00 54.20 C ATOM 282 CG GLU A 19 6.904 -0.141 7.927 1.00 41.00 C ATOM 283 CD GLU A 19 6.677 0.791 9.112 1.00 24.41 C ATOM 284 OE1 GLU A 19 6.972 0.393 10.257 1.00 43.12 O ATOM 285 OE2 GLU A 19 6.205 1.933 8.900 1.00 23.23 O ATOM 0 H GLU A 19 3.114 -1.720 6.352 1.00 71.11 H new ATOM 0 HA GLU A 19 4.148 0.242 8.227 1.00 41.21 H new ATOM 0 HB2 GLU A 19 5.634 -1.747 8.572 1.00 54.20 H new ATOM 0 HB3 GLU A 19 5.995 -1.765 6.857 1.00 54.20 H new ATOM 0 HG2 GLU A 19 7.819 -0.710 8.091 1.00 41.00 H new ATOM 0 HG3 GLU A 19 7.057 0.456 7.028 1.00 41.00 H new ATOM 292 N ILE A 20 4.930 1.683 6.302 1.00 62.34 N ATOM 293 CA ILE A 20 5.133 2.617 5.187 1.00 2.31 C ATOM 294 C ILE A 20 6.546 3.217 5.246 1.00 33.34 C ATOM 295 O ILE A 20 6.929 3.820 6.252 1.00 44.42 O ATOM 296 CB ILE A 20 4.100 3.773 5.222 1.00 15.01 C ATOM 297 CG1 ILE A 20 2.672 3.217 5.335 1.00 31.43 C ATOM 298 CG2 ILE A 20 4.232 4.649 3.973 1.00 5.55 C ATOM 299 CD1 ILE A 20 1.613 4.283 5.525 1.00 11.01 C ATOM 0 H ILE A 20 5.135 2.084 7.217 1.00 62.34 H new ATOM 0 HA ILE A 20 5.003 2.054 4.263 1.00 2.31 H new ATOM 0 HB ILE A 20 4.303 4.387 6.099 1.00 15.01 H new ATOM 0 HG12 ILE A 20 2.442 2.646 4.435 1.00 31.43 H new ATOM 0 HG13 ILE A 20 2.628 2.522 6.173 1.00 31.43 H new ATOM 0 HG21 ILE A 20 3.499 5.455 4.015 1.00 5.55 H new ATOM 0 HG22 ILE A 20 5.235 5.073 3.930 1.00 5.55 H new ATOM 0 HG23 ILE A 20 4.055 4.044 3.084 1.00 5.55 H new ATOM 0 HD11 ILE A 20 0.632 3.813 5.596 1.00 11.01 H new ATOM 0 HD12 ILE A 20 1.816 4.839 6.440 1.00 11.01 H new ATOM 0 HD13 ILE A 20 1.627 4.966 4.675 1.00 11.01 H new ATOM 311 N ASP A 21 7.314 3.059 4.175 1.00 51.50 N ATOM 312 CA ASP A 21 8.707 3.514 4.149 1.00 31.15 C ATOM 313 C ASP A 21 8.825 5.039 3.957 1.00 11.25 C ATOM 314 O ASP A 21 8.091 5.649 3.174 1.00 50.23 O ATOM 315 CB ASP A 21 9.467 2.767 3.051 1.00 12.44 C ATOM 316 CG ASP A 21 10.892 3.248 2.882 1.00 34.23 C ATOM 317 OD1 ASP A 21 11.562 3.514 3.902 1.00 40.23 O ATOM 318 OD2 ASP A 21 11.348 3.358 1.727 1.00 14.03 O ATOM 0 H ASP A 21 6.999 2.619 3.310 1.00 51.50 H new ATOM 0 HA ASP A 21 9.151 3.290 5.119 1.00 31.15 H new ATOM 0 HB2 ASP A 21 9.475 1.702 3.283 1.00 12.44 H new ATOM 0 HB3 ASP A 21 8.936 2.884 2.106 1.00 12.44 H new ATOM 323 N VAL A 22 9.770 5.642 4.680 1.00 70.14 N ATOM 324 CA VAL A 22 10.018 7.086 4.600 1.00 1.34 C ATOM 325 C VAL A 22 11.186 7.398 3.640 1.00 64.31 C ATOM 326 O VAL A 22 11.317 8.518 3.143 1.00 35.43 O ATOM 327 CB VAL A 22 10.315 7.676 6.006 1.00 42.21 C ATOM 328 CG1 VAL A 22 11.589 7.074 6.596 1.00 15.15 C ATOM 329 CG2 VAL A 22 10.404 9.203 5.959 1.00 13.33 C ATOM 0 H VAL A 22 10.381 5.150 5.332 1.00 70.14 H new ATOM 0 HA VAL A 22 9.114 7.553 4.208 1.00 1.34 H new ATOM 0 HB VAL A 22 9.483 7.410 6.658 1.00 42.21 H new ATOM 0 HG11 VAL A 22 11.773 7.505 7.580 1.00 15.15 H new ATOM 0 HG12 VAL A 22 11.472 5.994 6.688 1.00 15.15 H new ATOM 0 HG13 VAL A 22 12.432 7.293 5.941 1.00 15.15 H new ATOM 0 HG21 VAL A 22 10.613 9.586 6.958 1.00 13.33 H new ATOM 0 HG22 VAL A 22 11.205 9.500 5.282 1.00 13.33 H new ATOM 0 HG23 VAL A 22 9.458 9.612 5.604 1.00 13.33 H new ATOM 339 N ASP A 23 12.030 6.392 3.392 1.00 22.44 N ATOM 340 CA ASP A 23 13.145 6.514 2.444 1.00 62.20 C ATOM 341 C ASP A 23 12.613 6.646 1.004 1.00 12.52 C ATOM 342 O ASP A 23 13.190 7.348 0.174 1.00 40.01 O ATOM 343 CB ASP A 23 14.074 5.296 2.597 1.00 4.03 C ATOM 344 CG ASP A 23 15.297 5.326 1.690 1.00 51.40 C ATOM 345 OD1 ASP A 23 15.905 6.402 1.525 1.00 43.50 O ATOM 346 OD2 ASP A 23 15.682 4.254 1.171 1.00 60.31 O ATOM 0 H ASP A 23 11.962 5.477 3.838 1.00 22.44 H new ATOM 0 HA ASP A 23 13.718 7.416 2.661 1.00 62.20 H new ATOM 0 HB2 ASP A 23 14.406 5.234 3.633 1.00 4.03 H new ATOM 0 HB3 ASP A 23 13.504 4.390 2.390 1.00 4.03 H new ATOM 351 N GLY A 24 11.502 5.964 0.723 1.00 34.24 N ATOM 352 CA GLY A 24 10.796 6.151 -0.543 1.00 23.34 C ATOM 353 C GLY A 24 11.004 5.027 -1.550 1.00 44.35 C ATOM 354 O GLY A 24 11.214 5.280 -2.739 1.00 22.43 O ATOM 0 H GLY A 24 11.075 5.282 1.350 1.00 34.24 H new ATOM 0 HA2 GLY A 24 9.730 6.248 -0.340 1.00 23.34 H new ATOM 0 HA3 GLY A 24 11.121 7.090 -0.992 1.00 23.34 H new ATOM 358 N LYS A 25 10.927 3.781 -1.092 1.00 50.45 N ATOM 359 CA LYS A 25 11.139 2.630 -1.979 1.00 75.43 C ATOM 360 C LYS A 25 10.007 1.588 -1.909 1.00 61.14 C ATOM 361 O LYS A 25 9.777 0.868 -2.882 1.00 75.31 O ATOM 362 CB LYS A 25 12.492 1.977 -1.664 1.00 33.24 C ATOM 363 CG LYS A 25 13.678 2.862 -2.044 1.00 61.22 C ATOM 364 CD LYS A 25 14.985 2.386 -1.419 1.00 1.12 C ATOM 365 CE LYS A 25 16.145 3.296 -1.803 1.00 41.12 C ATOM 366 NZ LYS A 25 17.323 3.102 -0.917 1.00 50.40 N ATOM 0 H LYS A 25 10.722 3.538 -0.123 1.00 50.45 H new ATOM 0 HA LYS A 25 11.137 3.010 -3.001 1.00 75.43 H new ATOM 0 HB2 LYS A 25 12.541 1.749 -0.599 1.00 33.24 H new ATOM 0 HB3 LYS A 25 12.566 1.029 -2.197 1.00 33.24 H new ATOM 0 HG2 LYS A 25 13.782 2.878 -3.129 1.00 61.22 H new ATOM 0 HG3 LYS A 25 13.479 3.886 -1.728 1.00 61.22 H new ATOM 0 HD2 LYS A 25 14.884 2.360 -0.334 1.00 1.12 H new ATOM 0 HD3 LYS A 25 15.196 1.367 -1.744 1.00 1.12 H new ATOM 0 HE2 LYS A 25 16.432 3.100 -2.836 1.00 41.12 H new ATOM 0 HE3 LYS A 25 15.822 4.336 -1.754 1.00 41.12 H new ATOM 0 HZ1 LYS A 25 18.132 3.637 -1.292 1.00 50.40 H new ATOM 0 HZ2 LYS A 25 17.097 3.441 0.040 1.00 50.40 H new ATOM 0 HZ3 LYS A 25 17.565 2.091 -0.878 1.00 50.40 H new ATOM 380 N PHE A 26 9.287 1.505 -0.782 1.00 4.21 N ATOM 381 CA PHE A 26 8.241 0.476 -0.639 1.00 12.53 C ATOM 382 C PHE A 26 7.145 0.837 0.387 1.00 45.32 C ATOM 383 O PHE A 26 7.373 1.581 1.338 1.00 25.23 O ATOM 384 CB PHE A 26 8.879 -0.870 -0.253 1.00 52.20 C ATOM 385 CG PHE A 26 9.586 -0.865 1.087 1.00 51.30 C ATOM 386 CD1 PHE A 26 10.901 -0.429 1.194 1.00 0.22 C ATOM 387 CD2 PHE A 26 8.937 -1.302 2.237 1.00 53.40 C ATOM 388 CE1 PHE A 26 11.550 -0.428 2.416 1.00 21.54 C ATOM 389 CE2 PHE A 26 9.582 -1.301 3.461 1.00 75.15 C ATOM 390 CZ PHE A 26 10.891 -0.864 3.549 1.00 12.04 C ATOM 0 H PHE A 26 9.402 2.118 0.025 1.00 4.21 H new ATOM 0 HA PHE A 26 7.750 0.408 -1.610 1.00 12.53 H new ATOM 0 HB2 PHE A 26 8.103 -1.635 -0.238 1.00 52.20 H new ATOM 0 HB3 PHE A 26 9.593 -1.155 -1.026 1.00 52.20 H new ATOM 0 HD1 PHE A 26 11.423 -0.087 0.313 1.00 0.22 H new ATOM 0 HD2 PHE A 26 7.916 -1.647 2.174 1.00 53.40 H new ATOM 0 HE1 PHE A 26 12.572 -0.086 2.484 1.00 21.54 H new ATOM 0 HE2 PHE A 26 9.064 -1.641 4.346 1.00 75.15 H new ATOM 0 HZ PHE A 26 11.398 -0.864 4.503 1.00 12.04 H new ATOM 400 N ILE A 27 5.947 0.291 0.166 1.00 60.44 N ATOM 401 CA ILE A 27 4.848 0.344 1.146 1.00 45.42 C ATOM 402 C ILE A 27 4.319 -1.079 1.404 1.00 75.21 C ATOM 403 O ILE A 27 3.838 -1.738 0.486 1.00 44.21 O ATOM 404 CB ILE A 27 3.680 1.242 0.652 1.00 45.01 C ATOM 405 CG1 ILE A 27 4.185 2.666 0.350 1.00 54.35 C ATOM 406 CG2 ILE A 27 2.551 1.276 1.686 1.00 41.53 C ATOM 407 CD1 ILE A 27 3.114 3.600 -0.180 1.00 2.44 C ATOM 0 H ILE A 27 5.707 -0.201 -0.695 1.00 60.44 H new ATOM 0 HA ILE A 27 5.242 0.775 2.066 1.00 45.42 H new ATOM 0 HB ILE A 27 3.284 0.816 -0.270 1.00 45.01 H new ATOM 0 HG12 ILE A 27 4.606 3.092 1.261 1.00 54.35 H new ATOM 0 HG13 ILE A 27 4.994 2.607 -0.378 1.00 54.35 H new ATOM 0 HG21 ILE A 27 1.743 1.910 1.321 1.00 41.53 H new ATOM 0 HG22 ILE A 27 2.175 0.266 1.848 1.00 41.53 H new ATOM 0 HG23 ILE A 27 2.930 1.677 2.626 1.00 41.53 H new ATOM 0 HD11 ILE A 27 3.548 4.582 -0.368 1.00 2.44 H new ATOM 0 HD12 ILE A 27 2.708 3.199 -1.109 1.00 2.44 H new ATOM 0 HD13 ILE A 27 2.315 3.691 0.555 1.00 2.44 H new ATOM 419 N ARG A 28 4.411 -1.560 2.645 1.00 13.10 N ATOM 420 CA ARG A 28 4.104 -2.970 2.936 1.00 22.53 C ATOM 421 C ARG A 28 2.706 -3.158 3.560 1.00 31.23 C ATOM 422 O ARG A 28 2.458 -2.775 4.709 1.00 12.12 O ATOM 423 CB ARG A 28 5.179 -3.565 3.858 1.00 4.31 C ATOM 424 CG ARG A 28 5.156 -5.092 3.915 1.00 71.32 C ATOM 425 CD ARG A 28 6.316 -5.658 4.732 1.00 42.34 C ATOM 426 NE ARG A 28 6.159 -5.424 6.168 1.00 43.32 N ATOM 427 CZ ARG A 28 7.045 -4.844 6.927 1.00 34.50 C ATOM 428 NH1 ARG A 28 8.147 -4.380 6.429 1.00 33.34 N ATOM 429 NH2 ARG A 28 6.827 -4.734 8.195 1.00 45.44 N ATOM 0 H ARG A 28 4.691 -1.008 3.456 1.00 13.10 H new ATOM 0 HA ARG A 28 4.102 -3.500 1.983 1.00 22.53 H new ATOM 0 HB2 ARG A 28 6.161 -3.237 3.517 1.00 4.31 H new ATOM 0 HB3 ARG A 28 5.042 -3.170 4.865 1.00 4.31 H new ATOM 0 HG2 ARG A 28 4.213 -5.423 4.349 1.00 71.32 H new ATOM 0 HG3 ARG A 28 5.198 -5.492 2.902 1.00 71.32 H new ATOM 0 HD2 ARG A 28 6.396 -6.729 4.549 1.00 42.34 H new ATOM 0 HD3 ARG A 28 7.248 -5.206 4.394 1.00 42.34 H new ATOM 0 HE ARG A 28 5.293 -5.738 6.606 1.00 43.32 H new ATOM 0 HH11 ARG A 28 8.331 -4.466 5.429 1.00 33.34 H new ATOM 0 HH12 ARG A 28 8.831 -3.928 7.036 1.00 33.34 H new ATOM 0 HH21 ARG A 28 5.964 -5.100 8.598 1.00 45.44 H new ATOM 0 HH22 ARG A 28 7.517 -4.281 8.794 1.00 45.44 H new ATOM 443 N LEU A 29 1.798 -3.756 2.786 1.00 62.33 N ATOM 444 CA LEU A 29 0.462 -4.123 3.274 1.00 31.12 C ATOM 445 C LEU A 29 0.426 -5.607 3.676 1.00 71.11 C ATOM 446 O LEU A 29 1.356 -6.358 3.381 1.00 1.22 O ATOM 447 CB LEU A 29 -0.611 -3.854 2.202 1.00 65.10 C ATOM 448 CG LEU A 29 -0.845 -2.377 1.830 1.00 13.32 C ATOM 449 CD1 LEU A 29 0.349 -1.792 1.074 1.00 74.25 C ATOM 450 CD2 LEU A 29 -2.125 -2.236 1.010 1.00 73.04 C ATOM 0 H LEU A 29 1.964 -3.999 1.809 1.00 62.33 H new ATOM 0 HA LEU A 29 0.246 -3.507 4.147 1.00 31.12 H new ATOM 0 HB2 LEU A 29 -0.335 -4.396 1.297 1.00 65.10 H new ATOM 0 HB3 LEU A 29 -1.555 -4.274 2.549 1.00 65.10 H new ATOM 0 HG LEU A 29 -0.955 -1.811 2.755 1.00 13.32 H new ATOM 0 HD11 LEU A 29 0.148 -0.749 0.828 1.00 74.25 H new ATOM 0 HD12 LEU A 29 1.240 -1.853 1.699 1.00 74.25 H new ATOM 0 HD13 LEU A 29 0.510 -2.357 0.156 1.00 74.25 H new ATOM 0 HD21 LEU A 29 -2.279 -1.188 0.753 1.00 73.04 H new ATOM 0 HD22 LEU A 29 -2.039 -2.824 0.096 1.00 73.04 H new ATOM 0 HD23 LEU A 29 -2.973 -2.595 1.594 1.00 73.04 H new ATOM 462 N LYS A 30 -0.647 -6.034 4.335 1.00 21.11 N ATOM 463 CA LYS A 30 -0.779 -7.433 4.771 1.00 64.13 C ATOM 464 C LYS A 30 -2.248 -7.882 4.815 1.00 65.22 C ATOM 465 O LYS A 30 -3.133 -7.127 5.219 1.00 60.32 O ATOM 466 CB LYS A 30 -0.136 -7.616 6.153 1.00 61.53 C ATOM 467 CG LYS A 30 -0.241 -9.035 6.709 1.00 13.11 C ATOM 468 CD LYS A 30 0.410 -9.153 8.086 1.00 21.40 C ATOM 469 CE LYS A 30 -0.258 -8.244 9.114 1.00 63.20 C ATOM 470 NZ LYS A 30 0.470 -8.247 10.409 1.00 13.00 N ATOM 0 H LYS A 30 -1.438 -5.439 4.581 1.00 21.11 H new ATOM 0 HA LYS A 30 -0.262 -8.056 4.041 1.00 64.13 H new ATOM 0 HB2 LYS A 30 0.916 -7.339 6.091 1.00 61.53 H new ATOM 0 HB3 LYS A 30 -0.607 -6.927 6.854 1.00 61.53 H new ATOM 0 HG2 LYS A 30 -1.290 -9.322 6.777 1.00 13.11 H new ATOM 0 HG3 LYS A 30 0.236 -9.732 6.020 1.00 13.11 H new ATOM 0 HD2 LYS A 30 0.354 -10.187 8.426 1.00 21.40 H new ATOM 0 HD3 LYS A 30 1.467 -8.899 8.010 1.00 21.40 H new ATOM 0 HE2 LYS A 30 -0.303 -7.227 8.725 1.00 63.20 H new ATOM 0 HE3 LYS A 30 -1.286 -8.570 9.274 1.00 63.20 H new ATOM 0 HZ1 LYS A 30 -0.033 -7.645 11.091 1.00 13.00 H new ATOM 0 HZ2 LYS A 30 0.521 -9.219 10.776 1.00 13.00 H new ATOM 0 HZ3 LYS A 30 1.433 -7.880 10.267 1.00 13.00 H new ATOM 484 N ASN A 31 -2.498 -9.124 4.399 1.00 71.31 N ATOM 485 CA ASN A 31 -3.845 -9.705 4.434 1.00 55.50 C ATOM 486 C ASN A 31 -4.018 -10.627 5.652 1.00 13.25 C ATOM 487 O ASN A 31 -3.219 -11.539 5.868 1.00 22.21 O ATOM 488 CB ASN A 31 -4.111 -10.495 3.146 1.00 71.54 C ATOM 489 CG ASN A 31 -5.475 -11.160 3.135 1.00 0.42 C ATOM 490 OD1 ASN A 31 -6.435 -10.655 3.712 1.00 24.43 O ATOM 491 ND2 ASN A 31 -5.571 -12.304 2.490 1.00 51.01 N ATOM 0 H ASN A 31 -1.783 -9.752 4.032 1.00 71.31 H new ATOM 0 HA ASN A 31 -4.563 -8.889 4.515 1.00 55.50 H new ATOM 0 HB2 ASN A 31 -4.032 -9.824 2.291 1.00 71.54 H new ATOM 0 HB3 ASN A 31 -3.340 -11.256 3.026 1.00 71.54 H new ATOM 0 HD21 ASN A 31 -6.462 -12.799 2.459 1.00 51.01 H new ATOM 0 HD22 ASN A 31 -4.754 -12.695 2.021 1.00 51.01 H new ATOM 498 N THR A 32 -5.062 -10.389 6.446 1.00 44.01 N ATOM 499 CA THR A 32 -5.340 -11.228 7.624 1.00 64.40 C ATOM 500 C THR A 32 -6.642 -12.029 7.454 1.00 63.20 C ATOM 501 O THR A 32 -7.134 -12.641 8.402 1.00 1.21 O ATOM 502 CB THR A 32 -5.418 -10.385 8.928 1.00 33.40 C ATOM 503 OG1 THR A 32 -5.462 -11.248 10.082 1.00 31.44 O ATOM 504 CG2 THR A 32 -6.643 -9.474 8.930 1.00 32.11 C ATOM 0 H THR A 32 -5.728 -9.630 6.301 1.00 44.01 H new ATOM 0 HA THR A 32 -4.506 -11.925 7.708 1.00 64.40 H new ATOM 0 HB THR A 32 -4.524 -9.763 8.970 1.00 33.40 H new ATOM 0 HG1 THR A 32 -5.983 -12.051 9.870 1.00 31.44 H new ATOM 0 HG21 THR A 32 -6.667 -8.899 9.856 1.00 32.11 H new ATOM 0 HG22 THR A 32 -6.591 -8.793 8.081 1.00 32.11 H new ATOM 0 HG23 THR A 32 -7.547 -10.079 8.855 1.00 32.11 H new ATOM 512 N SER A 33 -7.190 -12.038 6.237 1.00 55.32 N ATOM 513 CA SER A 33 -8.414 -12.805 5.937 1.00 5.11 C ATOM 514 C SER A 33 -8.166 -14.314 6.057 1.00 34.25 C ATOM 515 O SER A 33 -7.082 -14.796 5.741 1.00 13.33 O ATOM 516 CB SER A 33 -8.927 -12.493 4.524 1.00 21.12 C ATOM 517 OG SER A 33 -9.154 -11.104 4.338 1.00 2.53 O ATOM 0 H SER A 33 -6.811 -11.526 5.441 1.00 55.32 H new ATOM 0 HA SER A 33 -9.166 -12.507 6.668 1.00 5.11 H new ATOM 0 HB2 SER A 33 -8.203 -12.844 3.789 1.00 21.12 H new ATOM 0 HB3 SER A 33 -9.853 -13.039 4.345 1.00 21.12 H new ATOM 0 HG SER A 33 -8.312 -10.665 4.096 1.00 2.53 H new ATOM 523 N GLU A 34 -9.181 -15.059 6.497 1.00 61.10 N ATOM 524 CA GLU A 34 -9.055 -16.515 6.673 1.00 32.10 C ATOM 525 C GLU A 34 -8.973 -17.265 5.328 1.00 15.03 C ATOM 526 O GLU A 34 -8.523 -18.411 5.276 1.00 15.34 O ATOM 527 CB GLU A 34 -10.238 -17.047 7.495 1.00 60.53 C ATOM 528 CG GLU A 34 -10.307 -16.473 8.908 1.00 25.43 C ATOM 529 CD GLU A 34 -11.515 -16.965 9.688 1.00 50.32 C ATOM 530 OE1 GLU A 34 -11.445 -18.070 10.275 1.00 62.25 O ATOM 531 OE2 GLU A 34 -12.538 -16.251 9.722 1.00 12.43 O ATOM 0 H GLU A 34 -10.098 -14.684 6.739 1.00 61.10 H new ATOM 0 HA GLU A 34 -8.121 -16.697 7.204 1.00 32.10 H new ATOM 0 HB2 GLU A 34 -11.166 -16.816 6.972 1.00 60.53 H new ATOM 0 HB3 GLU A 34 -10.168 -18.133 7.556 1.00 60.53 H new ATOM 0 HG2 GLU A 34 -9.399 -16.740 9.448 1.00 25.43 H new ATOM 0 HG3 GLU A 34 -10.336 -15.385 8.852 1.00 25.43 H new ATOM 538 N GLN A 35 -9.410 -16.616 4.249 1.00 71.22 N ATOM 539 CA GLN A 35 -9.405 -17.229 2.912 1.00 24.03 C ATOM 540 C GLN A 35 -8.598 -16.376 1.911 1.00 62.41 C ATOM 541 O GLN A 35 -8.266 -15.221 2.189 1.00 72.31 O ATOM 542 CB GLN A 35 -10.851 -17.405 2.411 1.00 70.34 C ATOM 543 CG GLN A 35 -10.978 -18.287 1.167 1.00 2.51 C ATOM 544 CD GLN A 35 -12.383 -18.311 0.585 1.00 64.21 C ATOM 545 OE1 GLN A 35 -13.378 -18.156 1.294 1.00 13.32 O ATOM 546 NE2 GLN A 35 -12.481 -18.514 -0.717 1.00 72.33 N ATOM 0 H GLN A 35 -9.774 -15.663 4.270 1.00 71.22 H new ATOM 0 HA GLN A 35 -8.927 -18.206 2.986 1.00 24.03 H new ATOM 0 HB2 GLN A 35 -11.452 -17.836 3.212 1.00 70.34 H new ATOM 0 HB3 GLN A 35 -11.270 -16.423 2.191 1.00 70.34 H new ATOM 0 HG2 GLN A 35 -10.283 -17.931 0.406 1.00 2.51 H new ATOM 0 HG3 GLN A 35 -10.680 -19.304 1.420 1.00 2.51 H new ATOM 0 HE21 GLN A 35 -11.639 -18.639 -1.278 1.00 72.33 H new ATOM 0 HE22 GLN A 35 -13.399 -18.546 -1.161 1.00 72.33 H new ATOM 555 N ASP A 36 -8.280 -16.961 0.755 1.00 33.41 N ATOM 556 CA ASP A 36 -7.557 -16.263 -0.317 1.00 2.32 C ATOM 557 C ASP A 36 -8.270 -14.958 -0.736 1.00 71.01 C ATOM 558 O ASP A 36 -9.474 -14.957 -1.006 1.00 64.12 O ATOM 559 CB ASP A 36 -7.431 -17.184 -1.535 1.00 40.53 C ATOM 560 CG ASP A 36 -6.889 -18.557 -1.186 1.00 75.44 C ATOM 561 OD1 ASP A 36 -7.663 -19.385 -0.662 1.00 52.32 O ATOM 562 OD2 ASP A 36 -5.700 -18.829 -1.456 1.00 44.24 O ATOM 0 H ASP A 36 -8.514 -17.929 0.533 1.00 33.41 H new ATOM 0 HA ASP A 36 -6.570 -16.001 0.064 1.00 2.32 H new ATOM 0 HB2 ASP A 36 -8.409 -17.294 -2.003 1.00 40.53 H new ATOM 0 HB3 ASP A 36 -6.776 -16.717 -2.271 1.00 40.53 H new ATOM 567 N GLN A 37 -7.518 -13.856 -0.811 1.00 31.24 N ATOM 568 CA GLN A 37 -8.082 -12.545 -1.180 1.00 14.23 C ATOM 569 C GLN A 37 -7.499 -12.004 -2.497 1.00 71.44 C ATOM 570 O GLN A 37 -6.308 -11.692 -2.579 1.00 32.14 O ATOM 571 CB GLN A 37 -7.834 -11.524 -0.058 1.00 30.50 C ATOM 572 CG GLN A 37 -8.665 -11.763 1.196 1.00 41.32 C ATOM 573 CD GLN A 37 -10.151 -11.528 0.976 1.00 4.31 C ATOM 574 OE1 GLN A 37 -10.897 -12.432 0.626 1.00 32.21 O ATOM 575 NE2 GLN A 37 -10.593 -10.301 1.179 1.00 23.13 N ATOM 0 H GLN A 37 -6.516 -13.841 -0.622 1.00 31.24 H new ATOM 0 HA GLN A 37 -9.152 -12.692 -1.324 1.00 14.23 H new ATOM 0 HB2 GLN A 37 -6.778 -11.544 0.210 1.00 30.50 H new ATOM 0 HB3 GLN A 37 -8.047 -10.525 -0.437 1.00 30.50 H new ATOM 0 HG2 GLN A 37 -8.511 -12.786 1.538 1.00 41.32 H new ATOM 0 HG3 GLN A 37 -8.312 -11.105 1.990 1.00 41.32 H new ATOM 0 HE21 GLN A 37 -9.947 -9.568 1.471 1.00 23.13 H new ATOM 0 HE22 GLN A 37 -11.581 -10.086 1.044 1.00 23.13 H new ATOM 584 N PRO A 38 -8.330 -11.899 -3.552 1.00 43.40 N ATOM 585 CA PRO A 38 -7.961 -11.195 -4.787 1.00 74.02 C ATOM 586 C PRO A 38 -7.940 -9.670 -4.574 1.00 71.34 C ATOM 587 O PRO A 38 -8.928 -9.088 -4.130 1.00 51.43 O ATOM 588 CB PRO A 38 -9.069 -11.597 -5.788 1.00 3.05 C ATOM 589 CG PRO A 38 -9.834 -12.698 -5.119 1.00 1.30 C ATOM 590 CD PRO A 38 -9.682 -12.470 -3.642 1.00 34.31 C ATOM 0 HA PRO A 38 -6.962 -11.458 -5.135 1.00 74.02 H new ATOM 0 HB2 PRO A 38 -9.718 -10.751 -6.016 1.00 3.05 H new ATOM 0 HB3 PRO A 38 -8.641 -11.934 -6.732 1.00 3.05 H new ATOM 0 HG2 PRO A 38 -10.884 -12.677 -5.411 1.00 1.30 H new ATOM 0 HG3 PRO A 38 -9.443 -13.674 -5.405 1.00 1.30 H new ATOM 0 HD2 PRO A 38 -10.439 -11.787 -3.256 1.00 34.31 H new ATOM 0 HD3 PRO A 38 -9.771 -13.397 -3.076 1.00 34.31 H new ATOM 598 N MET A 39 -6.814 -9.030 -4.898 1.00 44.50 N ATOM 599 CA MET A 39 -6.625 -7.591 -4.639 1.00 51.20 C ATOM 600 C MET A 39 -7.699 -6.713 -5.324 1.00 22.20 C ATOM 601 O MET A 39 -7.927 -5.566 -4.929 1.00 13.15 O ATOM 602 CB MET A 39 -5.221 -7.169 -5.093 1.00 53.14 C ATOM 603 CG MET A 39 -4.866 -5.727 -4.747 1.00 22.42 C ATOM 604 SD MET A 39 -5.005 -5.372 -2.981 1.00 20.05 S ATOM 605 CE MET A 39 -3.801 -6.510 -2.294 1.00 44.14 C ATOM 0 H MET A 39 -6.015 -9.482 -5.341 1.00 44.50 H new ATOM 0 HA MET A 39 -6.733 -7.434 -3.566 1.00 51.20 H new ATOM 0 HB2 MET A 39 -4.487 -7.833 -4.636 1.00 53.14 H new ATOM 0 HB3 MET A 39 -5.143 -7.303 -6.172 1.00 53.14 H new ATOM 0 HG2 MET A 39 -3.847 -5.521 -5.075 1.00 22.42 H new ATOM 0 HG3 MET A 39 -5.521 -5.054 -5.300 1.00 22.42 H new ATOM 0 HE1 MET A 39 -3.840 -6.467 -1.206 1.00 44.14 H new ATOM 0 HE2 MET A 39 -4.028 -7.523 -2.626 1.00 44.14 H new ATOM 0 HE3 MET A 39 -2.803 -6.232 -2.633 1.00 44.14 H new ATOM 615 N GLY A 40 -8.350 -7.255 -6.354 1.00 70.12 N ATOM 616 CA GLY A 40 -9.415 -6.530 -7.044 1.00 42.12 C ATOM 617 C GLY A 40 -8.933 -5.262 -7.747 1.00 25.31 C ATOM 618 O GLY A 40 -8.539 -5.301 -8.916 1.00 32.43 O ATOM 0 H GLY A 40 -8.160 -8.186 -6.726 1.00 70.12 H new ATOM 0 HA2 GLY A 40 -9.876 -7.190 -7.779 1.00 42.12 H new ATOM 0 HA3 GLY A 40 -10.189 -6.265 -6.324 1.00 42.12 H new ATOM 622 N GLY A 41 -8.962 -4.139 -7.032 1.00 45.44 N ATOM 623 CA GLY A 41 -8.546 -2.867 -7.612 1.00 21.22 C ATOM 624 C GLY A 41 -8.997 -1.652 -6.806 1.00 65.33 C ATOM 625 O GLY A 41 -9.721 -0.796 -7.315 1.00 21.10 O ATOM 0 H GLY A 41 -9.266 -4.085 -6.060 1.00 45.44 H new ATOM 0 HA2 GLY A 41 -7.459 -2.854 -7.696 1.00 21.22 H new ATOM 0 HA3 GLY A 41 -8.945 -2.790 -8.623 1.00 21.22 H new ATOM 629 N TRP A 42 -8.570 -1.571 -5.546 1.00 63.44 N ATOM 630 CA TRP A 42 -8.889 -0.414 -4.697 1.00 73.55 C ATOM 631 C TRP A 42 -8.016 0.799 -5.070 1.00 52.10 C ATOM 632 O TRP A 42 -7.045 0.666 -5.818 1.00 31.03 O ATOM 633 CB TRP A 42 -8.690 -0.761 -3.214 1.00 64.15 C ATOM 634 CG TRP A 42 -9.494 -1.943 -2.753 1.00 23.41 C ATOM 635 CD1 TRP A 42 -10.835 -2.147 -2.929 1.00 15.31 C ATOM 636 CD2 TRP A 42 -9.010 -3.076 -2.021 1.00 51.44 C ATOM 637 NE1 TRP A 42 -11.209 -3.338 -2.359 1.00 40.42 N ATOM 638 CE2 TRP A 42 -10.107 -3.927 -1.796 1.00 5.32 C ATOM 639 CE3 TRP A 42 -7.753 -3.453 -1.538 1.00 5.55 C ATOM 640 CZ2 TRP A 42 -9.986 -5.132 -1.111 1.00 5.45 C ATOM 641 CZ3 TRP A 42 -7.635 -4.650 -0.857 1.00 51.22 C ATOM 642 CH2 TRP A 42 -8.746 -5.478 -0.649 1.00 21.42 C ATOM 0 H TRP A 42 -8.005 -2.287 -5.089 1.00 63.44 H new ATOM 0 HA TRP A 42 -9.935 -0.156 -4.864 1.00 73.55 H new ATOM 0 HB2 TRP A 42 -7.633 -0.961 -3.036 1.00 64.15 H new ATOM 0 HB3 TRP A 42 -8.957 0.106 -2.609 1.00 64.15 H new ATOM 0 HD1 TRP A 42 -11.502 -1.470 -3.442 1.00 15.31 H new ATOM 0 HE1 TRP A 42 -12.154 -3.722 -2.355 1.00 40.42 H new ATOM 0 HE3 TRP A 42 -6.891 -2.821 -1.694 1.00 5.55 H new ATOM 0 HZ2 TRP A 42 -10.841 -5.772 -0.950 1.00 5.45 H new ATOM 0 HZ3 TRP A 42 -6.670 -4.952 -0.479 1.00 51.22 H new ATOM 0 HH2 TRP A 42 -8.621 -6.407 -0.113 1.00 21.42 H new ATOM 653 N GLU A 43 -8.349 1.977 -4.545 1.00 72.13 N ATOM 654 CA GLU A 43 -7.594 3.197 -4.861 1.00 42.03 C ATOM 655 C GLU A 43 -6.771 3.683 -3.654 1.00 25.24 C ATOM 656 O GLU A 43 -7.323 4.083 -2.626 1.00 50.21 O ATOM 657 CB GLU A 43 -8.540 4.309 -5.338 1.00 14.52 C ATOM 658 CG GLU A 43 -7.815 5.540 -5.881 1.00 34.41 C ATOM 659 CD GLU A 43 -8.765 6.585 -6.448 1.00 53.44 C ATOM 660 OE1 GLU A 43 -9.232 6.412 -7.594 1.00 72.54 O ATOM 661 OE2 GLU A 43 -9.042 7.587 -5.758 1.00 51.51 O ATOM 0 H GLU A 43 -9.130 2.116 -3.903 1.00 72.13 H new ATOM 0 HA GLU A 43 -6.899 2.953 -5.665 1.00 42.03 H new ATOM 0 HB2 GLU A 43 -9.193 3.910 -6.115 1.00 14.52 H new ATOM 0 HB3 GLU A 43 -9.179 4.611 -4.508 1.00 14.52 H new ATOM 0 HG2 GLU A 43 -7.224 5.989 -5.083 1.00 34.41 H new ATOM 0 HG3 GLU A 43 -7.117 5.231 -6.659 1.00 34.41 H new ATOM 668 N MET A 44 -5.446 3.630 -3.787 1.00 11.55 N ATOM 669 CA MET A 44 -4.532 4.113 -2.744 1.00 41.11 C ATOM 670 C MET A 44 -4.148 5.587 -2.978 1.00 31.53 C ATOM 671 O MET A 44 -3.661 5.952 -4.047 1.00 70.53 O ATOM 672 CB MET A 44 -3.269 3.238 -2.702 1.00 45.15 C ATOM 673 CG MET A 44 -2.221 3.714 -1.703 1.00 4.42 C ATOM 674 SD MET A 44 -0.789 2.619 -1.600 1.00 12.32 S ATOM 675 CE MET A 44 -0.198 2.642 -3.291 1.00 30.54 C ATOM 0 H MET A 44 -4.976 3.255 -4.611 1.00 11.55 H new ATOM 0 HA MET A 44 -5.047 4.046 -1.786 1.00 41.11 H new ATOM 0 HB2 MET A 44 -3.555 2.216 -2.454 1.00 45.15 H new ATOM 0 HB3 MET A 44 -2.824 3.212 -3.696 1.00 45.15 H new ATOM 0 HG2 MET A 44 -1.887 4.713 -1.984 1.00 4.42 H new ATOM 0 HG3 MET A 44 -2.679 3.797 -0.717 1.00 4.42 H new ATOM 0 HE1 MET A 44 0.889 2.567 -3.297 1.00 30.54 H new ATOM 0 HE2 MET A 44 -0.623 1.799 -3.836 1.00 30.54 H new ATOM 0 HE3 MET A 44 -0.500 3.573 -3.769 1.00 30.54 H new ATOM 685 N ILE A 45 -4.362 6.426 -1.968 1.00 34.24 N ATOM 686 CA ILE A 45 -4.053 7.859 -2.064 1.00 14.42 C ATOM 687 C ILE A 45 -2.970 8.268 -1.051 1.00 53.34 C ATOM 688 O ILE A 45 -3.215 8.300 0.154 1.00 72.12 O ATOM 689 CB ILE A 45 -5.323 8.719 -1.821 1.00 71.41 C ATOM 690 CG1 ILE A 45 -6.441 8.322 -2.801 1.00 73.44 C ATOM 691 CG2 ILE A 45 -4.999 10.212 -1.940 1.00 23.24 C ATOM 692 CD1 ILE A 45 -7.750 9.047 -2.563 1.00 35.12 C ATOM 0 H ILE A 45 -4.749 6.142 -1.068 1.00 34.24 H new ATOM 0 HA ILE A 45 -3.681 8.038 -3.073 1.00 14.42 H new ATOM 0 HB ILE A 45 -5.675 8.530 -0.807 1.00 71.41 H new ATOM 0 HG12 ILE A 45 -6.106 8.521 -3.819 1.00 73.44 H new ATOM 0 HG13 ILE A 45 -6.612 7.248 -2.726 1.00 73.44 H new ATOM 0 HG21 ILE A 45 -5.903 10.796 -1.766 1.00 23.24 H new ATOM 0 HG22 ILE A 45 -4.246 10.481 -1.200 1.00 23.24 H new ATOM 0 HG23 ILE A 45 -4.618 10.423 -2.939 1.00 23.24 H new ATOM 0 HD11 ILE A 45 -8.488 8.714 -3.293 1.00 35.12 H new ATOM 0 HD12 ILE A 45 -8.109 8.828 -1.557 1.00 35.12 H new ATOM 0 HD13 ILE A 45 -7.595 10.121 -2.668 1.00 35.12 H new ATOM 704 N ARG A 46 -1.770 8.573 -1.538 1.00 30.44 N ATOM 705 CA ARG A 46 -0.683 9.022 -0.661 1.00 20.45 C ATOM 706 C ARG A 46 -0.687 10.551 -0.512 1.00 52.23 C ATOM 707 O ARG A 46 -0.346 11.277 -1.447 1.00 72.01 O ATOM 708 CB ARG A 46 0.681 8.561 -1.196 1.00 2.11 C ATOM 709 CG ARG A 46 1.847 8.931 -0.281 1.00 64.32 C ATOM 710 CD ARG A 46 3.202 8.572 -0.890 1.00 65.04 C ATOM 711 NE ARG A 46 3.458 9.301 -2.133 1.00 33.53 N ATOM 712 CZ ARG A 46 4.085 10.449 -2.208 1.00 31.01 C ATOM 713 NH1 ARG A 46 4.542 11.034 -1.144 1.00 15.41 N ATOM 714 NH2 ARG A 46 4.262 11.005 -3.358 1.00 44.55 N ATOM 0 H ARG A 46 -1.523 8.519 -2.526 1.00 30.44 H new ATOM 0 HA ARG A 46 -0.850 8.573 0.318 1.00 20.45 H new ATOM 0 HB2 ARG A 46 0.664 7.480 -1.331 1.00 2.11 H new ATOM 0 HB3 ARG A 46 0.846 9.002 -2.179 1.00 2.11 H new ATOM 0 HG2 ARG A 46 1.817 10.001 -0.073 1.00 64.32 H new ATOM 0 HG3 ARG A 46 1.733 8.417 0.674 1.00 64.32 H new ATOM 0 HD2 ARG A 46 3.992 8.793 -0.172 1.00 65.04 H new ATOM 0 HD3 ARG A 46 3.239 7.500 -1.085 1.00 65.04 H new ATOM 0 HE ARG A 46 3.125 8.886 -3.003 1.00 33.53 H new ATOM 0 HH11 ARG A 46 4.416 10.600 -0.229 1.00 15.41 H new ATOM 0 HH12 ARG A 46 5.028 11.928 -1.222 1.00 15.41 H new ATOM 0 HH21 ARG A 46 3.915 10.551 -4.203 1.00 44.55 H new ATOM 0 HH22 ARG A 46 4.749 11.899 -3.423 1.00 44.55 H new ATOM 728 N LYS A 47 -1.088 11.031 0.661 1.00 52.22 N ATOM 729 CA LYS A 47 -1.056 12.466 0.965 1.00 21.13 C ATOM 730 C LYS A 47 0.224 12.845 1.720 1.00 12.41 C ATOM 731 O LYS A 47 0.569 12.226 2.727 1.00 50.20 O ATOM 732 CB LYS A 47 -2.286 12.880 1.790 1.00 53.52 C ATOM 733 CG LYS A 47 -3.507 13.245 0.952 1.00 74.24 C ATOM 734 CD LYS A 47 -4.639 13.798 1.819 1.00 21.12 C ATOM 735 CE LYS A 47 -5.652 14.585 0.993 1.00 2.33 C ATOM 736 NZ LYS A 47 -5.024 15.749 0.308 1.00 61.33 N ATOM 0 H LYS A 47 -1.440 10.449 1.421 1.00 52.22 H new ATOM 0 HA LYS A 47 -1.071 13.000 0.015 1.00 21.13 H new ATOM 0 HB2 LYS A 47 -2.551 12.063 2.461 1.00 53.52 H new ATOM 0 HB3 LYS A 47 -2.020 13.733 2.415 1.00 53.52 H new ATOM 0 HG2 LYS A 47 -3.227 13.985 0.203 1.00 74.24 H new ATOM 0 HG3 LYS A 47 -3.857 12.364 0.414 1.00 74.24 H new ATOM 0 HD2 LYS A 47 -5.144 12.976 2.326 1.00 21.12 H new ATOM 0 HD3 LYS A 47 -4.222 14.442 2.593 1.00 21.12 H new ATOM 0 HE2 LYS A 47 -6.105 13.928 0.251 1.00 2.33 H new ATOM 0 HE3 LYS A 47 -6.456 14.935 1.641 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 -5.746 16.474 0.123 1.00 61.33 H new ATOM 0 HZ2 LYS A 47 -4.280 16.149 0.915 1.00 61.33 H new ATOM 0 HZ3 LYS A 47 -4.607 15.438 -0.592 1.00 61.33 H new ATOM 750 N ILE A 48 0.918 13.869 1.237 1.00 4.30 N ATOM 751 CA ILE A 48 2.139 14.352 1.886 1.00 43.23 C ATOM 752 C ILE A 48 2.138 15.889 1.984 1.00 51.32 C ATOM 753 O ILE A 48 2.399 16.596 1.008 1.00 40.13 O ATOM 754 CB ILE A 48 3.410 13.846 1.149 1.00 51.22 C ATOM 755 CG1 ILE A 48 4.683 14.421 1.797 1.00 45.30 C ATOM 756 CG2 ILE A 48 3.350 14.177 -0.343 1.00 22.34 C ATOM 757 CD1 ILE A 48 5.970 13.884 1.205 1.00 43.00 C ATOM 0 H ILE A 48 0.658 14.384 0.396 1.00 4.30 H new ATOM 0 HA ILE A 48 2.158 13.946 2.897 1.00 43.23 H new ATOM 0 HB ILE A 48 3.446 12.761 1.244 1.00 51.22 H new ATOM 0 HG12 ILE A 48 4.673 15.506 1.695 1.00 45.30 H new ATOM 0 HG13 ILE A 48 4.666 14.201 2.865 1.00 45.30 H new ATOM 0 HG21 ILE A 48 4.252 13.811 -0.833 1.00 22.34 H new ATOM 0 HG22 ILE A 48 2.477 13.699 -0.787 1.00 22.34 H new ATOM 0 HG23 ILE A 48 3.278 15.257 -0.474 1.00 22.34 H new ATOM 0 HD11 ILE A 48 6.821 14.336 1.714 1.00 43.00 H new ATOM 0 HD12 ILE A 48 6.005 12.802 1.331 1.00 43.00 H new ATOM 0 HD13 ILE A 48 6.011 14.127 0.143 1.00 43.00 H new ATOM 769 N GLY A 49 1.808 16.397 3.170 1.00 61.40 N ATOM 770 CA GLY A 49 1.697 17.838 3.368 1.00 12.44 C ATOM 771 C GLY A 49 0.478 18.429 2.668 1.00 32.54 C ATOM 772 O GLY A 49 -0.657 18.268 3.130 1.00 74.02 O ATOM 0 H GLY A 49 1.615 15.837 4.000 1.00 61.40 H new ATOM 0 HA2 GLY A 49 1.639 18.052 4.435 1.00 12.44 H new ATOM 0 HA3 GLY A 49 2.598 18.324 2.994 1.00 12.44 H new ATOM 776 N ASP A 50 0.707 19.098 1.545 1.00 14.30 N ATOM 777 CA ASP A 50 -0.371 19.728 0.778 1.00 33.22 C ATOM 778 C ASP A 50 -0.750 18.907 -0.466 1.00 72.21 C ATOM 779 O ASP A 50 -1.910 18.895 -0.883 1.00 54.53 O ATOM 780 CB ASP A 50 0.054 21.138 0.366 1.00 72.11 C ATOM 781 CG ASP A 50 0.345 22.022 1.567 1.00 74.15 C ATOM 782 OD1 ASP A 50 1.497 22.014 2.050 1.00 33.11 O ATOM 783 OD2 ASP A 50 -0.578 22.722 2.038 1.00 53.01 O ATOM 0 H ASP A 50 1.635 19.221 1.139 1.00 14.30 H new ATOM 0 HA ASP A 50 -1.253 19.776 1.416 1.00 33.22 H new ATOM 0 HB2 ASP A 50 0.942 21.079 -0.264 1.00 72.11 H new ATOM 0 HB3 ASP A 50 -0.734 21.592 -0.235 1.00 72.11 H new ATOM 788 N THR A 51 0.225 18.219 -1.055 1.00 22.22 N ATOM 789 CA THR A 51 -0.005 17.467 -2.302 1.00 3.32 C ATOM 790 C THR A 51 -0.380 15.999 -2.040 1.00 50.33 C ATOM 791 O THR A 51 -0.263 15.498 -0.919 1.00 2.13 O ATOM 792 CB THR A 51 1.233 17.511 -3.238 1.00 61.04 C ATOM 793 OG1 THR A 51 0.947 16.834 -4.475 1.00 64.22 O ATOM 794 CG2 THR A 51 2.452 16.872 -2.579 1.00 61.20 C ATOM 0 H THR A 51 1.179 18.162 -0.698 1.00 22.22 H new ATOM 0 HA THR A 51 -0.845 17.960 -2.791 1.00 3.32 H new ATOM 0 HB THR A 51 1.458 18.559 -3.438 1.00 61.04 H new ATOM 0 HG1 THR A 51 1.734 16.870 -5.057 1.00 64.22 H new ATOM 0 HG21 THR A 51 3.301 16.919 -3.261 1.00 61.20 H new ATOM 0 HG22 THR A 51 2.693 17.409 -1.662 1.00 61.20 H new ATOM 0 HG23 THR A 51 2.234 15.830 -2.343 1.00 61.20 H new ATOM 802 N SER A 52 -0.830 15.315 -3.092 1.00 12.14 N ATOM 803 CA SER A 52 -1.237 13.905 -2.996 1.00 31.22 C ATOM 804 C SER A 52 -1.121 13.195 -4.351 1.00 35.41 C ATOM 805 O SER A 52 -1.254 13.815 -5.407 1.00 34.10 O ATOM 806 CB SER A 52 -2.683 13.793 -2.492 1.00 64.12 C ATOM 807 OG SER A 52 -3.600 14.390 -3.400 1.00 14.25 O ATOM 0 H SER A 52 -0.924 15.713 -4.026 1.00 12.14 H new ATOM 0 HA SER A 52 -0.564 13.422 -2.288 1.00 31.22 H new ATOM 0 HB2 SER A 52 -2.940 12.743 -2.352 1.00 64.12 H new ATOM 0 HB3 SER A 52 -2.768 14.275 -1.518 1.00 64.12 H new ATOM 0 HG SER A 52 -4.511 14.300 -3.051 1.00 14.25 H new ATOM 813 N VAL A 53 -0.868 11.891 -4.316 1.00 45.14 N ATOM 814 CA VAL A 53 -0.798 11.071 -5.535 1.00 72.43 C ATOM 815 C VAL A 53 -1.577 9.757 -5.357 1.00 64.11 C ATOM 816 O VAL A 53 -1.546 9.145 -4.287 1.00 72.25 O ATOM 817 CB VAL A 53 0.672 10.768 -5.923 1.00 11.41 C ATOM 818 CG1 VAL A 53 1.403 10.068 -4.779 1.00 60.23 C ATOM 819 CG2 VAL A 53 0.744 9.937 -7.206 1.00 24.23 C ATOM 0 H VAL A 53 -0.706 11.370 -3.454 1.00 45.14 H new ATOM 0 HA VAL A 53 -1.256 11.643 -6.342 1.00 72.43 H new ATOM 0 HB VAL A 53 1.171 11.719 -6.113 1.00 11.41 H new ATOM 0 HG11 VAL A 53 2.432 9.866 -5.075 1.00 60.23 H new ATOM 0 HG12 VAL A 53 1.398 10.709 -3.898 1.00 60.23 H new ATOM 0 HG13 VAL A 53 0.901 9.129 -4.547 1.00 60.23 H new ATOM 0 HG21 VAL A 53 1.787 9.740 -7.454 1.00 24.23 H new ATOM 0 HG22 VAL A 53 0.221 8.992 -7.057 1.00 24.23 H new ATOM 0 HG23 VAL A 53 0.275 10.486 -8.022 1.00 24.23 H new ATOM 829 N SER A 54 -2.279 9.327 -6.407 1.00 1.23 N ATOM 830 CA SER A 54 -3.148 8.142 -6.329 1.00 33.11 C ATOM 831 C SER A 54 -2.576 6.939 -7.096 1.00 32.45 C ATOM 832 O SER A 54 -1.748 7.087 -8.001 1.00 21.23 O ATOM 833 CB SER A 54 -4.538 8.475 -6.883 1.00 73.20 C ATOM 834 OG SER A 54 -4.463 8.846 -8.253 1.00 44.32 O ATOM 0 H SER A 54 -2.266 9.778 -7.322 1.00 1.23 H new ATOM 0 HA SER A 54 -3.212 7.866 -5.277 1.00 33.11 H new ATOM 0 HB2 SER A 54 -5.195 7.612 -6.771 1.00 73.20 H new ATOM 0 HB3 SER A 54 -4.979 9.288 -6.306 1.00 73.20 H new ATOM 0 HG SER A 54 -5.361 9.052 -8.586 1.00 44.32 H new ATOM 840 N TYR A 55 -3.029 5.744 -6.719 1.00 54.13 N ATOM 841 CA TYR A 55 -2.648 4.501 -7.400 1.00 41.33 C ATOM 842 C TYR A 55 -3.721 3.421 -7.217 1.00 50.42 C ATOM 843 O TYR A 55 -3.974 2.965 -6.100 1.00 73.51 O ATOM 844 CB TYR A 55 -1.300 3.987 -6.868 1.00 32.31 C ATOM 845 CG TYR A 55 -0.825 2.703 -7.532 1.00 43.30 C ATOM 846 CD1 TYR A 55 -0.343 2.717 -8.833 1.00 11.11 C ATOM 847 CD2 TYR A 55 -0.859 1.482 -6.861 1.00 75.51 C ATOM 848 CE1 TYR A 55 0.089 1.562 -9.451 1.00 10.14 C ATOM 849 CE2 TYR A 55 -0.427 0.319 -7.472 1.00 73.23 C ATOM 850 CZ TYR A 55 0.047 0.365 -8.767 1.00 54.23 C ATOM 851 OH TYR A 55 0.480 -0.788 -9.385 1.00 51.25 O ATOM 0 H TYR A 55 -3.668 5.607 -5.936 1.00 54.13 H new ATOM 0 HA TYR A 55 -2.553 4.720 -8.464 1.00 41.33 H new ATOM 0 HB2 TYR A 55 -0.545 4.760 -7.012 1.00 32.31 H new ATOM 0 HB3 TYR A 55 -1.384 3.820 -5.794 1.00 32.31 H new ATOM 0 HD1 TYR A 55 -0.305 3.652 -9.373 1.00 11.11 H new ATOM 0 HD2 TYR A 55 -1.229 1.443 -5.847 1.00 75.51 H new ATOM 0 HE1 TYR A 55 0.458 1.595 -10.465 1.00 10.14 H new ATOM 0 HE2 TYR A 55 -0.460 -0.620 -6.939 1.00 73.23 H new ATOM 0 HH TYR A 55 0.386 -1.544 -8.769 1.00 51.25 H new ATOM 861 N LYS A 56 -4.357 3.012 -8.311 1.00 22.32 N ATOM 862 CA LYS A 56 -5.341 1.930 -8.257 1.00 3.21 C ATOM 863 C LYS A 56 -4.658 0.563 -8.392 1.00 42.54 C ATOM 864 O LYS A 56 -3.809 0.363 -9.261 1.00 52.03 O ATOM 865 CB LYS A 56 -6.396 2.084 -9.362 1.00 51.20 C ATOM 866 CG LYS A 56 -7.496 1.022 -9.292 1.00 75.01 C ATOM 867 CD LYS A 56 -8.405 1.043 -10.516 1.00 10.30 C ATOM 868 CE LYS A 56 -7.629 0.756 -11.800 1.00 63.21 C ATOM 869 NZ LYS A 56 -6.914 -0.553 -11.749 1.00 64.41 N ATOM 0 H LYS A 56 -4.212 3.408 -9.240 1.00 22.32 H new ATOM 0 HA LYS A 56 -5.835 1.989 -7.287 1.00 3.21 H new ATOM 0 HB2 LYS A 56 -6.848 3.073 -9.289 1.00 51.20 H new ATOM 0 HB3 LYS A 56 -5.906 2.028 -10.334 1.00 51.20 H new ATOM 0 HG2 LYS A 56 -7.040 0.036 -9.199 1.00 75.01 H new ATOM 0 HG3 LYS A 56 -8.095 1.182 -8.396 1.00 75.01 H new ATOM 0 HD2 LYS A 56 -9.196 0.302 -10.395 1.00 10.30 H new ATOM 0 HD3 LYS A 56 -8.889 2.016 -10.593 1.00 10.30 H new ATOM 0 HE2 LYS A 56 -8.317 0.759 -12.646 1.00 63.21 H new ATOM 0 HE3 LYS A 56 -6.908 1.555 -11.972 1.00 63.21 H new ATOM 0 HZ1 LYS A 56 -6.388 -0.696 -12.635 1.00 64.41 H new ATOM 0 HZ2 LYS A 56 -6.250 -0.555 -10.948 1.00 64.41 H new ATOM 0 HZ3 LYS A 56 -7.605 -1.321 -11.628 1.00 64.41 H new ATOM 883 N TYR A 57 -5.036 -0.374 -7.533 1.00 14.34 N ATOM 884 CA TYR A 57 -4.484 -1.731 -7.577 1.00 70.13 C ATOM 885 C TYR A 57 -5.006 -2.523 -8.790 1.00 61.01 C ATOM 886 O TYR A 57 -5.767 -2.004 -9.614 1.00 53.33 O ATOM 887 CB TYR A 57 -4.820 -2.475 -6.279 1.00 2.21 C ATOM 888 CG TYR A 57 -4.155 -1.888 -5.048 1.00 14.54 C ATOM 889 CD1 TYR A 57 -2.837 -2.204 -4.734 1.00 21.14 C ATOM 890 CD2 TYR A 57 -4.840 -1.022 -4.202 1.00 23.33 C ATOM 891 CE1 TYR A 57 -2.224 -1.676 -3.617 1.00 63.30 C ATOM 892 CE2 TYR A 57 -4.230 -0.491 -3.082 1.00 11.12 C ATOM 893 CZ TYR A 57 -2.922 -0.822 -2.795 1.00 33.10 C ATOM 894 OH TYR A 57 -2.308 -0.295 -1.685 1.00 41.24 O ATOM 0 H TYR A 57 -5.723 -0.224 -6.794 1.00 14.34 H new ATOM 0 HA TYR A 57 -3.402 -1.646 -7.680 1.00 70.13 H new ATOM 0 HB2 TYR A 57 -5.901 -2.467 -6.136 1.00 2.21 H new ATOM 0 HB3 TYR A 57 -4.520 -3.518 -6.381 1.00 2.21 H new ATOM 0 HD1 TYR A 57 -2.284 -2.874 -5.376 1.00 21.14 H new ATOM 0 HD2 TYR A 57 -5.864 -0.761 -4.424 1.00 23.33 H new ATOM 0 HE1 TYR A 57 -1.200 -1.932 -3.389 1.00 63.30 H new ATOM 0 HE2 TYR A 57 -4.775 0.180 -2.434 1.00 11.12 H new ATOM 0 HH TYR A 57 -1.913 0.573 -1.911 1.00 41.24 H new ATOM 904 N THR A 58 -4.591 -3.786 -8.888 1.00 3.14 N ATOM 905 CA THR A 58 -5.004 -4.666 -9.993 1.00 53.25 C ATOM 906 C THR A 58 -5.086 -6.126 -9.531 1.00 63.32 C ATOM 907 O THR A 58 -4.271 -6.578 -8.723 1.00 71.51 O ATOM 908 CB THR A 58 -4.030 -4.565 -11.195 1.00 2.23 C ATOM 909 OG1 THR A 58 -4.461 -5.429 -12.258 1.00 11.42 O ATOM 910 CG2 THR A 58 -2.603 -4.925 -10.790 1.00 72.34 C ATOM 0 H THR A 58 -3.966 -4.229 -8.214 1.00 3.14 H new ATOM 0 HA THR A 58 -5.991 -4.332 -10.312 1.00 53.25 H new ATOM 0 HB THR A 58 -4.037 -3.531 -11.539 1.00 2.23 H new ATOM 0 HG1 THR A 58 -3.839 -5.355 -13.012 1.00 11.42 H new ATOM 0 HG21 THR A 58 -1.947 -4.844 -11.657 1.00 72.34 H new ATOM 0 HG22 THR A 58 -2.262 -4.242 -10.012 1.00 72.34 H new ATOM 0 HG23 THR A 58 -2.579 -5.947 -10.412 1.00 72.34 H new ATOM 918 N SER A 59 -6.068 -6.867 -10.039 1.00 5.14 N ATOM 919 CA SER A 59 -6.273 -8.260 -9.619 1.00 21.04 C ATOM 920 C SER A 59 -5.593 -9.253 -10.571 1.00 53.32 C ATOM 921 O SER A 59 -6.223 -9.795 -11.479 1.00 73.53 O ATOM 922 CB SER A 59 -7.769 -8.587 -9.515 1.00 22.13 C ATOM 923 OG SER A 59 -7.977 -9.869 -8.944 1.00 64.34 O ATOM 0 H SER A 59 -6.732 -6.534 -10.737 1.00 5.14 H new ATOM 0 HA SER A 59 -5.813 -8.363 -8.636 1.00 21.04 H new ATOM 0 HB2 SER A 59 -8.268 -7.831 -8.908 1.00 22.13 H new ATOM 0 HB3 SER A 59 -8.221 -8.550 -10.506 1.00 22.13 H new ATOM 0 HG SER A 59 -8.938 -10.050 -8.888 1.00 64.34 H new ATOM 929 N ARG A 60 -4.292 -9.466 -10.375 1.00 71.21 N ATOM 930 CA ARG A 60 -3.540 -10.475 -11.140 1.00 51.13 C ATOM 931 C ARG A 60 -2.901 -11.517 -10.208 1.00 33.03 C ATOM 932 O ARG A 60 -2.135 -12.377 -10.646 1.00 41.51 O ATOM 933 CB ARG A 60 -2.452 -9.812 -11.998 1.00 52.53 C ATOM 934 CG ARG A 60 -1.434 -8.999 -11.196 1.00 24.43 C ATOM 935 CD ARG A 60 -0.233 -8.603 -12.049 1.00 41.21 C ATOM 936 NE ARG A 60 -0.635 -7.983 -13.312 1.00 35.12 N ATOM 937 CZ ARG A 60 0.122 -7.914 -14.371 1.00 31.32 C ATOM 938 NH1 ARG A 60 1.320 -8.410 -14.368 1.00 45.33 N ATOM 939 NH2 ARG A 60 -0.326 -7.361 -15.447 1.00 23.42 N ATOM 0 H ARG A 60 -3.731 -8.955 -9.693 1.00 71.21 H new ATOM 0 HA ARG A 60 -4.248 -10.982 -11.795 1.00 51.13 H new ATOM 0 HB2 ARG A 60 -1.924 -10.585 -12.557 1.00 52.53 H new ATOM 0 HB3 ARG A 60 -2.928 -9.158 -12.729 1.00 52.53 H new ATOM 0 HG2 ARG A 60 -1.913 -8.102 -10.802 1.00 24.43 H new ATOM 0 HG3 ARG A 60 -1.096 -9.582 -10.339 1.00 24.43 H new ATOM 0 HD2 ARG A 60 0.396 -7.910 -11.490 1.00 41.21 H new ATOM 0 HD3 ARG A 60 0.371 -9.486 -12.256 1.00 41.21 H new ATOM 0 HE ARG A 60 -1.569 -7.578 -13.367 1.00 35.12 H new ATOM 0 HH11 ARG A 60 1.683 -8.862 -13.529 1.00 45.33 H new ATOM 0 HH12 ARG A 60 1.900 -8.348 -15.205 1.00 45.33 H new ATOM 0 HH21 ARG A 60 -1.271 -6.979 -15.468 1.00 23.42 H new ATOM 0 HH22 ARG A 60 0.265 -7.306 -16.276 1.00 23.42 H new ATOM 953 N TYR A 61 -3.223 -11.427 -8.923 1.00 51.24 N ATOM 954 CA TYR A 61 -2.673 -12.334 -7.911 1.00 35.41 C ATOM 955 C TYR A 61 -3.644 -12.469 -6.731 1.00 20.44 C ATOM 956 O TYR A 61 -4.422 -11.553 -6.448 1.00 20.55 O ATOM 957 CB TYR A 61 -1.312 -11.820 -7.414 1.00 4.44 C ATOM 958 CG TYR A 61 -1.388 -10.490 -6.685 1.00 11.24 C ATOM 959 CD1 TYR A 61 -1.550 -9.299 -7.384 1.00 62.25 C ATOM 960 CD2 TYR A 61 -1.314 -10.428 -5.294 1.00 74.20 C ATOM 961 CE1 TYR A 61 -1.627 -8.090 -6.723 1.00 5.24 C ATOM 962 CE2 TYR A 61 -1.392 -9.220 -4.629 1.00 74.34 C ATOM 963 CZ TYR A 61 -1.550 -8.054 -5.348 1.00 15.05 C ATOM 964 OH TYR A 61 -1.630 -6.847 -4.691 1.00 64.15 O ATOM 0 H TYR A 61 -3.868 -10.730 -8.550 1.00 51.24 H new ATOM 0 HA TYR A 61 -2.534 -13.314 -8.367 1.00 35.41 H new ATOM 0 HB2 TYR A 61 -0.874 -12.564 -6.748 1.00 4.44 H new ATOM 0 HB3 TYR A 61 -0.639 -11.719 -8.266 1.00 4.44 H new ATOM 0 HD1 TYR A 61 -1.617 -9.320 -8.462 1.00 62.25 H new ATOM 0 HD2 TYR A 61 -1.194 -11.339 -4.727 1.00 74.20 H new ATOM 0 HE1 TYR A 61 -1.747 -7.174 -7.282 1.00 5.24 H new ATOM 0 HE2 TYR A 61 -1.330 -9.189 -3.551 1.00 74.34 H new ATOM 0 HH TYR A 61 -0.817 -6.327 -4.862 1.00 64.15 H new ATOM 974 N VAL A 62 -3.599 -13.609 -6.048 1.00 33.23 N ATOM 975 CA VAL A 62 -4.467 -13.852 -4.893 1.00 15.02 C ATOM 976 C VAL A 62 -3.634 -13.997 -3.606 1.00 43.13 C ATOM 977 O VAL A 62 -2.832 -14.923 -3.474 1.00 71.05 O ATOM 978 CB VAL A 62 -5.332 -15.119 -5.103 1.00 21.12 C ATOM 979 CG1 VAL A 62 -6.424 -15.199 -4.045 1.00 32.40 C ATOM 980 CG2 VAL A 62 -5.934 -15.141 -6.512 1.00 32.13 C ATOM 0 H VAL A 62 -2.972 -14.381 -6.272 1.00 33.23 H new ATOM 0 HA VAL A 62 -5.129 -12.992 -4.791 1.00 15.02 H new ATOM 0 HB VAL A 62 -4.690 -15.994 -4.999 1.00 21.12 H new ATOM 0 HG11 VAL A 62 -7.023 -16.095 -4.207 1.00 32.40 H new ATOM 0 HG12 VAL A 62 -5.969 -15.241 -3.055 1.00 32.40 H new ATOM 0 HG13 VAL A 62 -7.063 -14.319 -4.114 1.00 32.40 H new ATOM 0 HG21 VAL A 62 -6.537 -16.040 -6.636 1.00 32.13 H new ATOM 0 HG22 VAL A 62 -6.561 -14.261 -6.653 1.00 32.13 H new ATOM 0 HG23 VAL A 62 -5.132 -15.138 -7.250 1.00 32.13 H new ATOM 990 N LEU A 63 -3.838 -13.083 -2.661 1.00 21.11 N ATOM 991 CA LEU A 63 -3.015 -13.011 -1.445 1.00 43.42 C ATOM 992 C LEU A 63 -3.654 -13.819 -0.293 1.00 3.13 C ATOM 993 O LEU A 63 -4.805 -13.584 0.079 1.00 12.22 O ATOM 994 CB LEU A 63 -2.838 -11.528 -1.045 1.00 40.30 C ATOM 995 CG LEU A 63 -1.511 -11.155 -0.350 1.00 42.20 C ATOM 996 CD1 LEU A 63 -1.372 -11.857 0.995 1.00 0.34 C ATOM 997 CD2 LEU A 63 -0.319 -11.469 -1.255 1.00 41.33 C ATOM 0 H LEU A 63 -4.570 -12.375 -2.710 1.00 21.11 H new ATOM 0 HA LEU A 63 -2.038 -13.451 -1.646 1.00 43.42 H new ATOM 0 HB2 LEU A 63 -2.936 -10.919 -1.943 1.00 40.30 H new ATOM 0 HB3 LEU A 63 -3.659 -11.253 -0.383 1.00 40.30 H new ATOM 0 HG LEU A 63 -1.524 -10.081 -0.162 1.00 42.20 H new ATOM 0 HD11 LEU A 63 -0.427 -11.573 1.458 1.00 0.34 H new ATOM 0 HD12 LEU A 63 -2.197 -11.565 1.645 1.00 0.34 H new ATOM 0 HD13 LEU A 63 -1.393 -12.937 0.846 1.00 0.34 H new ATOM 0 HD21 LEU A 63 0.606 -11.198 -0.746 1.00 41.33 H new ATOM 0 HD22 LEU A 63 -0.308 -12.534 -1.486 1.00 41.33 H new ATOM 0 HD23 LEU A 63 -0.404 -10.898 -2.180 1.00 41.33 H new ATOM 1009 N LYS A 64 -2.901 -14.772 0.265 1.00 20.24 N ATOM 1010 CA LYS A 64 -3.390 -15.608 1.379 1.00 74.12 C ATOM 1011 C LYS A 64 -3.282 -14.901 2.749 1.00 25.14 C ATOM 1012 O LYS A 64 -3.006 -13.704 2.831 1.00 61.43 O ATOM 1013 CB LYS A 64 -2.622 -16.939 1.422 1.00 75.12 C ATOM 1014 CG LYS A 64 -3.119 -17.980 0.424 1.00 35.23 C ATOM 1015 CD LYS A 64 -2.357 -19.297 0.563 1.00 5.52 C ATOM 1016 CE LYS A 64 -3.025 -20.427 -0.210 1.00 52.15 C ATOM 1017 NZ LYS A 64 -3.230 -20.087 -1.643 1.00 12.23 N ATOM 0 H LYS A 64 -1.950 -14.988 -0.033 1.00 20.24 H new ATOM 0 HA LYS A 64 -4.448 -15.794 1.191 1.00 74.12 H new ATOM 0 HB2 LYS A 64 -1.567 -16.743 1.231 1.00 75.12 H new ATOM 0 HB3 LYS A 64 -2.692 -17.354 2.428 1.00 75.12 H new ATOM 0 HG2 LYS A 64 -4.183 -18.156 0.580 1.00 35.23 H new ATOM 0 HG3 LYS A 64 -3.004 -17.597 -0.590 1.00 35.23 H new ATOM 0 HD2 LYS A 64 -1.337 -19.165 0.203 1.00 5.52 H new ATOM 0 HD3 LYS A 64 -2.291 -19.568 1.617 1.00 5.52 H new ATOM 0 HE2 LYS A 64 -2.413 -21.326 -0.136 1.00 52.15 H new ATOM 0 HE3 LYS A 64 -3.987 -20.658 0.247 1.00 52.15 H new ATOM 0 HZ1 LYS A 64 -3.361 -20.961 -2.192 1.00 12.23 H new ATOM 0 HZ2 LYS A 64 -4.074 -19.487 -1.740 1.00 12.23 H new ATOM 0 HZ3 LYS A 64 -2.398 -19.575 -2.001 1.00 12.23 H new ATOM 1031 N ALA A 65 -3.505 -15.664 3.822 1.00 50.25 N ATOM 1032 CA ALA A 65 -3.514 -15.120 5.187 1.00 11.14 C ATOM 1033 C ALA A 65 -2.100 -14.963 5.772 1.00 71.05 C ATOM 1034 O ALA A 65 -1.204 -15.774 5.511 1.00 24.32 O ATOM 1035 CB ALA A 65 -4.346 -16.021 6.089 1.00 41.30 C ATOM 0 H ALA A 65 -3.683 -16.667 3.773 1.00 50.25 H new ATOM 0 HA ALA A 65 -3.953 -14.124 5.136 1.00 11.14 H new ATOM 0 HB1 ALA A 65 -4.352 -15.617 7.101 1.00 41.30 H new ATOM 0 HB2 ALA A 65 -5.367 -16.070 5.712 1.00 41.30 H new ATOM 0 HB3 ALA A 65 -3.915 -17.022 6.101 1.00 41.30 H new ATOM 1041 N GLY A 66 -1.909 -13.905 6.561 1.00 22.23 N ATOM 1042 CA GLY A 66 -0.643 -13.693 7.259 1.00 4.14 C ATOM 1043 C GLY A 66 0.529 -13.364 6.336 1.00 14.32 C ATOM 1044 O GLY A 66 1.686 -13.383 6.763 1.00 31.30 O ATOM 0 H GLY A 66 -2.612 -13.186 6.731 1.00 22.23 H new ATOM 0 HA2 GLY A 66 -0.767 -12.881 7.975 1.00 4.14 H new ATOM 0 HA3 GLY A 66 -0.401 -14.589 7.831 1.00 4.14 H new ATOM 1048 N GLN A 67 0.239 -13.060 5.074 1.00 61.35 N ATOM 1049 CA GLN A 67 1.282 -12.736 4.093 1.00 72.40 C ATOM 1050 C GLN A 67 1.249 -11.243 3.729 1.00 14.43 C ATOM 1051 O GLN A 67 0.178 -10.631 3.670 1.00 33.34 O ATOM 1052 CB GLN A 67 1.113 -13.606 2.834 1.00 14.00 C ATOM 1053 CG GLN A 67 2.231 -13.447 1.802 1.00 2.20 C ATOM 1054 CD GLN A 67 3.607 -13.827 2.337 1.00 32.21 C ATOM 1055 OE1 GLN A 67 4.618 -13.272 1.926 1.00 4.35 O ATOM 1056 NE2 GLN A 67 3.663 -14.777 3.253 1.00 10.54 N ATOM 0 H GLN A 67 -0.710 -13.030 4.702 1.00 61.35 H new ATOM 0 HA GLN A 67 2.253 -12.950 4.539 1.00 72.40 H new ATOM 0 HB2 GLN A 67 1.059 -14.652 3.135 1.00 14.00 H new ATOM 0 HB3 GLN A 67 0.162 -13.360 2.362 1.00 14.00 H new ATOM 0 HG2 GLN A 67 2.004 -14.065 0.933 1.00 2.20 H new ATOM 0 HG3 GLN A 67 2.255 -12.412 1.460 1.00 2.20 H new ATOM 0 HE21 GLN A 67 2.805 -15.223 3.578 1.00 10.54 H new ATOM 0 HE22 GLN A 67 4.564 -15.064 3.635 1.00 10.54 H new ATOM 1065 N THR A 68 2.422 -10.658 3.498 1.00 35.00 N ATOM 1066 CA THR A 68 2.524 -9.228 3.172 1.00 3.20 C ATOM 1067 C THR A 68 2.685 -8.992 1.665 1.00 54.15 C ATOM 1068 O THR A 68 3.353 -9.760 0.971 1.00 63.34 O ATOM 1069 CB THR A 68 3.721 -8.558 3.890 1.00 62.34 C ATOM 1070 OG1 THR A 68 4.962 -9.087 3.387 1.00 32.22 O ATOM 1071 CG2 THR A 68 3.644 -8.768 5.400 1.00 31.42 C ATOM 0 H THR A 68 3.317 -11.147 3.529 1.00 35.00 H new ATOM 0 HA THR A 68 1.590 -8.782 3.515 1.00 3.20 H new ATOM 0 HB THR A 68 3.677 -7.488 3.689 1.00 62.34 H new ATOM 0 HG1 THR A 68 5.702 -8.778 3.951 1.00 32.22 H new ATOM 0 HG21 THR A 68 4.497 -8.287 5.878 1.00 31.42 H new ATOM 0 HG22 THR A 68 2.721 -8.332 5.781 1.00 31.42 H new ATOM 0 HG23 THR A 68 3.659 -9.835 5.620 1.00 31.42 H new ATOM 1079 N VAL A 69 2.074 -7.920 1.170 1.00 42.42 N ATOM 1080 CA VAL A 69 2.265 -7.477 -0.213 1.00 0.45 C ATOM 1081 C VAL A 69 2.962 -6.106 -0.238 1.00 65.14 C ATOM 1082 O VAL A 69 2.498 -5.145 0.382 1.00 72.25 O ATOM 1083 CB VAL A 69 0.918 -7.411 -0.988 1.00 41.02 C ATOM 1084 CG1 VAL A 69 -0.099 -6.539 -0.256 1.00 22.21 C ATOM 1085 CG2 VAL A 69 1.133 -6.913 -2.418 1.00 31.33 C ATOM 0 H VAL A 69 1.436 -7.335 1.710 1.00 42.42 H new ATOM 0 HA VAL A 69 2.897 -8.211 -0.713 1.00 0.45 H new ATOM 0 HB VAL A 69 0.515 -8.423 -1.039 1.00 41.02 H new ATOM 0 HG11 VAL A 69 -1.030 -6.512 -0.822 1.00 22.21 H new ATOM 0 HG12 VAL A 69 -0.288 -6.954 0.734 1.00 22.21 H new ATOM 0 HG13 VAL A 69 0.294 -5.527 -0.156 1.00 22.21 H new ATOM 0 HG21 VAL A 69 0.176 -6.876 -2.938 1.00 31.33 H new ATOM 0 HG22 VAL A 69 1.572 -5.915 -2.394 1.00 31.33 H new ATOM 0 HG23 VAL A 69 1.805 -7.592 -2.943 1.00 31.33 H new ATOM 1095 N THR A 70 4.090 -6.026 -0.932 1.00 62.44 N ATOM 1096 CA THR A 70 4.900 -4.805 -0.953 1.00 23.11 C ATOM 1097 C THR A 70 4.695 -4.001 -2.244 1.00 32.01 C ATOM 1098 O THR A 70 4.819 -4.530 -3.349 1.00 51.51 O ATOM 1099 CB THR A 70 6.406 -5.135 -0.796 1.00 73.30 C ATOM 1100 OG1 THR A 70 6.638 -5.837 0.439 1.00 62.12 O ATOM 1101 CG2 THR A 70 7.254 -3.871 -0.826 1.00 74.54 C ATOM 0 H THR A 70 4.469 -6.791 -1.490 1.00 62.44 H new ATOM 0 HA THR A 70 4.568 -4.198 -0.110 1.00 23.11 H new ATOM 0 HB THR A 70 6.695 -5.768 -1.635 1.00 73.30 H new ATOM 0 HG1 THR A 70 7.593 -6.041 0.525 1.00 62.12 H new ATOM 0 HG21 THR A 70 8.305 -4.135 -0.714 1.00 74.54 H new ATOM 0 HG22 THR A 70 7.109 -3.358 -1.777 1.00 74.54 H new ATOM 0 HG23 THR A 70 6.956 -3.213 -0.009 1.00 74.54 H new ATOM 1109 N ILE A 71 4.365 -2.721 -2.094 1.00 24.21 N ATOM 1110 CA ILE A 71 4.249 -1.810 -3.231 1.00 63.20 C ATOM 1111 C ILE A 71 5.586 -1.098 -3.480 1.00 62.41 C ATOM 1112 O ILE A 71 5.963 -0.185 -2.742 1.00 62.33 O ATOM 1113 CB ILE A 71 3.132 -0.757 -2.998 1.00 74.32 C ATOM 1114 CG1 ILE A 71 1.801 -1.454 -2.644 1.00 44.51 C ATOM 1115 CG2 ILE A 71 2.967 0.133 -4.232 1.00 61.20 C ATOM 1116 CD1 ILE A 71 1.310 -2.424 -3.700 1.00 42.43 C ATOM 0 H ILE A 71 4.172 -2.288 -1.191 1.00 24.21 H new ATOM 0 HA ILE A 71 3.985 -2.403 -4.107 1.00 63.20 H new ATOM 0 HB ILE A 71 3.421 -0.124 -2.159 1.00 74.32 H new ATOM 0 HG12 ILE A 71 1.923 -1.990 -1.703 1.00 44.51 H new ATOM 0 HG13 ILE A 71 1.037 -0.694 -2.481 1.00 44.51 H new ATOM 0 HG21 ILE A 71 2.180 0.865 -4.050 1.00 61.20 H new ATOM 0 HG22 ILE A 71 3.904 0.651 -4.435 1.00 61.20 H new ATOM 0 HG23 ILE A 71 2.699 -0.482 -5.091 1.00 61.20 H new ATOM 0 HD11 ILE A 71 0.370 -2.871 -3.375 1.00 42.43 H new ATOM 0 HD12 ILE A 71 1.153 -1.892 -4.638 1.00 42.43 H new ATOM 0 HD13 ILE A 71 2.053 -3.208 -3.847 1.00 42.43 H new ATOM 1128 N TRP A 72 6.311 -1.546 -4.501 1.00 63.54 N ATOM 1129 CA TRP A 72 7.639 -1.003 -4.816 1.00 65.02 C ATOM 1130 C TRP A 72 7.543 0.247 -5.704 1.00 5.35 C ATOM 1131 O TRP A 72 6.797 0.264 -6.677 1.00 64.10 O ATOM 1132 CB TRP A 72 8.487 -2.067 -5.529 1.00 24.53 C ATOM 1133 CG TRP A 72 8.701 -3.322 -4.733 1.00 12.52 C ATOM 1134 CD1 TRP A 72 7.885 -4.417 -4.685 1.00 22.30 C ATOM 1135 CD2 TRP A 72 9.813 -3.614 -3.877 1.00 11.45 C ATOM 1136 NE1 TRP A 72 8.420 -5.368 -3.852 1.00 60.51 N ATOM 1137 CE2 TRP A 72 9.604 -4.899 -3.344 1.00 45.42 C ATOM 1138 CE3 TRP A 72 10.966 -2.913 -3.511 1.00 51.32 C ATOM 1139 CZ2 TRP A 72 10.502 -5.497 -2.464 1.00 34.13 C ATOM 1140 CZ3 TRP A 72 11.858 -3.507 -2.637 1.00 54.15 C ATOM 1141 CH2 TRP A 72 11.620 -4.788 -2.123 1.00 64.52 C ATOM 0 H TRP A 72 6.004 -2.287 -5.130 1.00 63.54 H new ATOM 0 HA TRP A 72 8.110 -0.720 -3.875 1.00 65.02 H new ATOM 0 HB2 TRP A 72 8.006 -2.326 -6.472 1.00 24.53 H new ATOM 0 HB3 TRP A 72 9.458 -1.636 -5.775 1.00 24.53 H new ATOM 0 HD1 TRP A 72 6.955 -4.519 -5.224 1.00 22.30 H new ATOM 0 HE1 TRP A 72 8.004 -6.276 -3.645 1.00 60.51 H new ATOM 0 HE3 TRP A 72 11.157 -1.925 -3.904 1.00 51.32 H new ATOM 0 HZ2 TRP A 72 10.322 -6.485 -2.065 1.00 34.13 H new ATOM 0 HZ3 TRP A 72 12.752 -2.975 -2.346 1.00 54.15 H new ATOM 0 HH2 TRP A 72 12.335 -5.225 -1.442 1.00 64.52 H new ATOM 1152 N ALA A 73 8.309 1.285 -5.371 1.00 62.33 N ATOM 1153 CA ALA A 73 8.343 2.513 -6.179 1.00 71.03 C ATOM 1154 C ALA A 73 8.920 2.250 -7.584 1.00 20.15 C ATOM 1155 O ALA A 73 9.715 1.329 -7.774 1.00 1.24 O ATOM 1156 CB ALA A 73 9.154 3.591 -5.465 1.00 0.13 C ATOM 0 H ALA A 73 8.914 1.305 -4.550 1.00 62.33 H new ATOM 0 HA ALA A 73 7.317 2.861 -6.302 1.00 71.03 H new ATOM 0 HB1 ALA A 73 9.172 4.495 -6.073 1.00 0.13 H new ATOM 0 HB2 ALA A 73 8.697 3.811 -4.500 1.00 0.13 H new ATOM 0 HB3 ALA A 73 10.173 3.237 -5.311 1.00 0.13 H new ATOM 1162 N ALA A 74 8.527 3.062 -8.566 1.00 45.13 N ATOM 1163 CA ALA A 74 8.977 2.877 -9.958 1.00 73.31 C ATOM 1164 C ALA A 74 10.515 2.816 -10.085 1.00 72.23 C ATOM 1165 O ALA A 74 11.052 2.086 -10.921 1.00 62.24 O ATOM 1166 CB ALA A 74 8.418 3.983 -10.850 1.00 34.41 C ATOM 0 H ALA A 74 7.899 3.854 -8.430 1.00 45.13 H new ATOM 0 HA ALA A 74 8.591 1.913 -10.288 1.00 73.31 H new ATOM 0 HB1 ALA A 74 8.759 3.832 -11.874 1.00 34.41 H new ATOM 0 HB2 ALA A 74 7.329 3.956 -10.823 1.00 34.41 H new ATOM 0 HB3 ALA A 74 8.766 4.951 -10.491 1.00 34.41 H new ATOM 1172 N ASN A 75 11.222 3.574 -9.246 1.00 41.13 N ATOM 1173 CA ASN A 75 12.693 3.614 -9.295 1.00 34.40 C ATOM 1174 C ASN A 75 13.345 2.436 -8.541 1.00 61.13 C ATOM 1175 O ASN A 75 14.570 2.387 -8.400 1.00 34.40 O ATOM 1176 CB ASN A 75 13.212 4.947 -8.737 1.00 41.01 C ATOM 1177 CG ASN A 75 12.711 6.141 -9.528 1.00 13.14 C ATOM 1178 OD1 ASN A 75 12.379 6.033 -10.703 1.00 10.22 O ATOM 1179 ND2 ASN A 75 12.670 7.296 -8.900 1.00 42.51 N ATOM 0 H ASN A 75 10.808 4.167 -8.527 1.00 41.13 H new ATOM 0 HA ASN A 75 12.976 3.522 -10.344 1.00 34.40 H new ATOM 0 HB2 ASN A 75 12.901 5.048 -7.697 1.00 41.01 H new ATOM 0 HB3 ASN A 75 14.302 4.941 -8.745 1.00 41.01 H new ATOM 0 HD21 ASN A 75 12.356 8.133 -9.391 1.00 42.51 H new ATOM 0 HD22 ASN A 75 12.953 7.355 -7.922 1.00 42.51 H new ATOM 1186 N ALA A 76 12.538 1.484 -8.076 1.00 64.45 N ATOM 1187 CA ALA A 76 13.058 0.302 -7.372 1.00 42.31 C ATOM 1188 C ALA A 76 13.864 -0.618 -8.308 1.00 54.34 C ATOM 1189 O ALA A 76 14.838 -1.244 -7.887 1.00 43.12 O ATOM 1190 CB ALA A 76 11.920 -0.474 -6.716 1.00 33.43 C ATOM 0 H ALA A 76 11.523 1.503 -8.171 1.00 64.45 H new ATOM 0 HA ALA A 76 13.737 0.659 -6.598 1.00 42.31 H new ATOM 0 HB1 ALA A 76 12.324 -1.345 -6.200 1.00 33.43 H new ATOM 0 HB2 ALA A 76 11.408 0.168 -5.999 1.00 33.43 H new ATOM 0 HB3 ALA A 76 11.214 -0.800 -7.480 1.00 33.43 H new ATOM 1196 N GLY A 77 13.444 -0.702 -9.570 1.00 12.21 N ATOM 1197 CA GLY A 77 14.165 -1.509 -10.556 1.00 50.24 C ATOM 1198 C GLY A 77 13.819 -2.998 -10.521 1.00 64.04 C ATOM 1199 O GLY A 77 14.380 -3.788 -11.282 1.00 23.01 O ATOM 0 H GLY A 77 12.617 -0.227 -9.932 1.00 12.21 H new ATOM 0 HA2 GLY A 77 13.952 -1.121 -11.552 1.00 50.24 H new ATOM 0 HA3 GLY A 77 15.236 -1.392 -10.391 1.00 50.24 H new ATOM 1203 N VAL A 78 12.892 -3.385 -9.649 1.00 1.31 N ATOM 1204 CA VAL A 78 12.483 -4.791 -9.515 1.00 54.10 C ATOM 1205 C VAL A 78 11.467 -5.198 -10.600 1.00 0.41 C ATOM 1206 O VAL A 78 10.975 -4.355 -11.356 1.00 41.53 O ATOM 1207 CB VAL A 78 11.879 -5.073 -8.114 1.00 75.03 C ATOM 1208 CG1 VAL A 78 12.912 -4.823 -7.020 1.00 71.12 C ATOM 1209 CG2 VAL A 78 10.630 -4.226 -7.879 1.00 31.13 C ATOM 0 H VAL A 78 12.405 -2.746 -9.020 1.00 1.31 H new ATOM 0 HA VAL A 78 13.386 -5.389 -9.641 1.00 54.10 H new ATOM 0 HB VAL A 78 11.589 -6.123 -8.077 1.00 75.03 H new ATOM 0 HG11 VAL A 78 12.467 -5.027 -6.046 1.00 71.12 H new ATOM 0 HG12 VAL A 78 13.769 -5.479 -7.172 1.00 71.12 H new ATOM 0 HG13 VAL A 78 13.239 -3.784 -7.059 1.00 71.12 H new ATOM 0 HG21 VAL A 78 10.225 -4.442 -6.890 1.00 31.13 H new ATOM 0 HG22 VAL A 78 10.890 -3.169 -7.942 1.00 31.13 H new ATOM 0 HG23 VAL A 78 9.883 -4.462 -8.637 1.00 31.13 H new ATOM 1219 N THR A 79 11.159 -6.494 -10.674 1.00 40.23 N ATOM 1220 CA THR A 79 10.211 -7.016 -11.673 1.00 12.25 C ATOM 1221 C THR A 79 8.773 -6.560 -11.384 1.00 70.11 C ATOM 1222 O THR A 79 8.251 -6.778 -10.293 1.00 62.53 O ATOM 1223 CB THR A 79 10.240 -8.563 -11.739 1.00 61.32 C ATOM 1224 OG1 THR A 79 11.563 -9.022 -12.059 1.00 74.12 O ATOM 1225 CG2 THR A 79 9.257 -9.100 -12.779 1.00 61.23 C ATOM 0 H THR A 79 11.550 -7.205 -10.056 1.00 40.23 H new ATOM 0 HA THR A 79 10.530 -6.611 -12.633 1.00 12.25 H new ATOM 0 HB THR A 79 9.945 -8.937 -10.759 1.00 61.32 H new ATOM 0 HG1 THR A 79 11.569 -10.001 -12.096 1.00 74.12 H new ATOM 0 HG21 THR A 79 9.305 -10.189 -12.797 1.00 61.23 H new ATOM 0 HG22 THR A 79 8.246 -8.786 -12.520 1.00 61.23 H new ATOM 0 HG23 THR A 79 9.518 -8.709 -13.762 1.00 61.23 H new ATOM 1233 N ALA A 80 8.129 -5.959 -12.387 1.00 73.00 N ATOM 1234 CA ALA A 80 6.780 -5.393 -12.237 1.00 11.24 C ATOM 1235 C ALA A 80 5.703 -6.459 -11.948 1.00 53.43 C ATOM 1236 O ALA A 80 4.591 -6.127 -11.536 1.00 33.22 O ATOM 1237 CB ALA A 80 6.412 -4.597 -13.485 1.00 14.21 C ATOM 0 H ALA A 80 8.522 -5.850 -13.322 1.00 73.00 H new ATOM 0 HA ALA A 80 6.806 -4.736 -11.368 1.00 11.24 H new ATOM 0 HB1 ALA A 80 5.412 -4.180 -13.369 1.00 14.21 H new ATOM 0 HB2 ALA A 80 7.129 -3.788 -13.625 1.00 14.21 H new ATOM 0 HB3 ALA A 80 6.432 -5.254 -14.355 1.00 14.21 H new ATOM 1243 N SER A 81 6.025 -7.734 -12.174 1.00 63.13 N ATOM 1244 CA SER A 81 5.064 -8.825 -11.932 1.00 2.11 C ATOM 1245 C SER A 81 5.772 -10.127 -11.519 1.00 50.11 C ATOM 1246 O SER A 81 6.099 -10.961 -12.368 1.00 51.41 O ATOM 1247 CB SER A 81 4.208 -9.070 -13.184 1.00 13.41 C ATOM 1248 OG SER A 81 3.163 -10.000 -12.928 1.00 65.15 O ATOM 0 H SER A 81 6.934 -8.040 -12.521 1.00 63.13 H new ATOM 0 HA SER A 81 4.420 -8.517 -11.108 1.00 2.11 H new ATOM 0 HB2 SER A 81 3.781 -8.127 -13.524 1.00 13.41 H new ATOM 0 HB3 SER A 81 4.839 -9.444 -13.990 1.00 13.41 H new ATOM 0 HG SER A 81 2.844 -10.375 -13.775 1.00 65.15 H new ATOM 1254 N PRO A 82 6.049 -10.304 -10.207 1.00 65.32 N ATOM 1255 CA PRO A 82 6.692 -11.530 -9.676 1.00 21.14 C ATOM 1256 C PRO A 82 5.991 -12.872 -10.056 1.00 2.51 C ATOM 1257 O PRO A 82 6.679 -13.825 -10.436 1.00 13.03 O ATOM 1258 CB PRO A 82 6.677 -11.307 -8.156 1.00 73.53 C ATOM 1259 CG PRO A 82 6.642 -9.823 -7.991 1.00 21.25 C ATOM 1260 CD PRO A 82 5.821 -9.300 -9.142 1.00 14.22 C ATOM 0 HA PRO A 82 7.685 -11.655 -10.108 1.00 21.14 H new ATOM 0 HB2 PRO A 82 5.808 -11.777 -7.695 1.00 73.53 H new ATOM 0 HB3 PRO A 82 7.560 -11.737 -7.684 1.00 73.53 H new ATOM 0 HG2 PRO A 82 6.196 -9.546 -7.036 1.00 21.25 H new ATOM 0 HG3 PRO A 82 7.648 -9.404 -8.007 1.00 21.25 H new ATOM 0 HD2 PRO A 82 4.766 -9.223 -8.881 1.00 14.22 H new ATOM 0 HD3 PRO A 82 6.147 -8.306 -9.450 1.00 14.22 H new ATOM 1268 N PRO A 83 4.631 -13.009 -9.974 1.00 2.15 N ATOM 1269 CA PRO A 83 3.685 -11.986 -9.510 1.00 14.04 C ATOM 1270 C PRO A 83 3.219 -12.174 -8.048 1.00 75.21 C ATOM 1271 O PRO A 83 2.840 -13.270 -7.632 1.00 45.43 O ATOM 1272 CB PRO A 83 2.518 -12.204 -10.475 1.00 13.24 C ATOM 1273 CG PRO A 83 2.514 -13.681 -10.750 1.00 51.11 C ATOM 1274 CD PRO A 83 3.891 -14.213 -10.387 1.00 73.12 C ATOM 0 HA PRO A 83 4.122 -10.987 -9.509 1.00 14.04 H new ATOM 0 HB2 PRO A 83 1.575 -11.882 -10.034 1.00 13.24 H new ATOM 0 HB3 PRO A 83 2.652 -11.632 -11.393 1.00 13.24 H new ATOM 0 HG2 PRO A 83 1.743 -14.179 -10.163 1.00 51.11 H new ATOM 0 HG3 PRO A 83 2.291 -13.876 -11.799 1.00 51.11 H new ATOM 0 HD2 PRO A 83 3.838 -14.946 -9.582 1.00 73.12 H new ATOM 0 HD3 PRO A 83 4.367 -14.705 -11.235 1.00 73.12 H new ATOM 1282 N THR A 84 3.248 -11.083 -7.281 1.00 43.14 N ATOM 1283 CA THR A 84 2.740 -11.065 -5.896 1.00 22.20 C ATOM 1284 C THR A 84 2.793 -9.641 -5.330 1.00 64.42 C ATOM 1285 O THR A 84 1.829 -9.156 -4.742 1.00 31.42 O ATOM 1286 CB THR A 84 3.505 -12.035 -4.948 1.00 74.00 C ATOM 1287 OG1 THR A 84 3.023 -11.903 -3.602 1.00 55.44 O ATOM 1288 CG2 THR A 84 5.012 -11.795 -4.976 1.00 33.32 C ATOM 0 H THR A 84 3.621 -10.187 -7.595 1.00 43.14 H new ATOM 0 HA THR A 84 1.708 -11.413 -5.942 1.00 22.20 H new ATOM 0 HB THR A 84 3.319 -13.047 -5.308 1.00 74.00 H new ATOM 0 HG1 THR A 84 3.512 -12.520 -3.018 1.00 55.44 H new ATOM 0 HG21 THR A 84 5.504 -12.494 -4.300 1.00 33.32 H new ATOM 0 HG22 THR A 84 5.386 -11.945 -5.989 1.00 33.32 H new ATOM 0 HG23 THR A 84 5.224 -10.774 -4.659 1.00 33.32 H new ATOM 1296 N ASP A 85 3.932 -8.976 -5.516 1.00 14.41 N ATOM 1297 CA ASP A 85 4.070 -7.556 -5.181 1.00 41.04 C ATOM 1298 C ASP A 85 3.695 -6.677 -6.390 1.00 2.11 C ATOM 1299 O ASP A 85 3.618 -7.166 -7.521 1.00 74.42 O ATOM 1300 CB ASP A 85 5.509 -7.262 -4.744 1.00 43.05 C ATOM 1301 CG ASP A 85 5.970 -8.179 -3.624 1.00 63.51 C ATOM 1302 OD1 ASP A 85 5.588 -7.948 -2.459 1.00 21.44 O ATOM 1303 OD2 ASP A 85 6.725 -9.133 -3.907 1.00 73.42 O ATOM 0 H ASP A 85 4.778 -9.399 -5.899 1.00 14.41 H new ATOM 0 HA ASP A 85 3.392 -7.323 -4.360 1.00 41.04 H new ATOM 0 HB2 ASP A 85 6.176 -7.373 -5.599 1.00 43.05 H new ATOM 0 HB3 ASP A 85 5.582 -6.225 -4.415 1.00 43.05 H new ATOM 1308 N LEU A 86 3.466 -5.386 -6.153 1.00 71.23 N ATOM 1309 CA LEU A 86 3.092 -4.453 -7.230 1.00 4.12 C ATOM 1310 C LEU A 86 4.023 -3.231 -7.262 1.00 71.31 C ATOM 1311 O LEU A 86 4.318 -2.631 -6.229 1.00 23.13 O ATOM 1312 CB LEU A 86 1.634 -3.990 -7.066 1.00 73.11 C ATOM 1313 CG LEU A 86 0.565 -5.090 -7.190 1.00 73.44 C ATOM 1314 CD1 LEU A 86 -0.831 -4.509 -6.979 1.00 15.42 C ATOM 1315 CD2 LEU A 86 0.656 -5.793 -8.545 1.00 34.30 C ATOM 0 H LEU A 86 3.531 -4.957 -5.230 1.00 71.23 H new ATOM 0 HA LEU A 86 3.194 -4.988 -8.174 1.00 4.12 H new ATOM 0 HB2 LEU A 86 1.530 -3.517 -6.089 1.00 73.11 H new ATOM 0 HB3 LEU A 86 1.429 -3.224 -7.814 1.00 73.11 H new ATOM 0 HG LEU A 86 0.752 -5.831 -6.412 1.00 73.44 H new ATOM 0 HD11 LEU A 86 -1.573 -5.302 -7.071 1.00 15.42 H new ATOM 0 HD12 LEU A 86 -0.894 -4.066 -5.985 1.00 15.42 H new ATOM 0 HD13 LEU A 86 -1.024 -3.743 -7.730 1.00 15.42 H new ATOM 0 HD21 LEU A 86 -0.110 -6.566 -8.606 1.00 34.30 H new ATOM 0 HD22 LEU A 86 0.503 -5.066 -9.343 1.00 34.30 H new ATOM 0 HD23 LEU A 86 1.640 -6.249 -8.653 1.00 34.30 H new ATOM 1327 N ILE A 87 4.485 -2.870 -8.458 1.00 41.43 N ATOM 1328 CA ILE A 87 5.369 -1.711 -8.633 1.00 1.15 C ATOM 1329 C ILE A 87 4.567 -0.445 -8.992 1.00 24.03 C ATOM 1330 O ILE A 87 3.941 -0.369 -10.052 1.00 30.24 O ATOM 1331 CB ILE A 87 6.452 -1.979 -9.720 1.00 52.14 C ATOM 1332 CG1 ILE A 87 7.522 -2.967 -9.205 1.00 32.15 C ATOM 1333 CG2 ILE A 87 7.115 -0.673 -10.174 1.00 30.24 C ATOM 1334 CD1 ILE A 87 6.991 -4.325 -8.785 1.00 61.31 C ATOM 0 H ILE A 87 4.263 -3.362 -9.324 1.00 41.43 H new ATOM 0 HA ILE A 87 5.871 -1.547 -7.680 1.00 1.15 H new ATOM 0 HB ILE A 87 5.951 -2.427 -10.578 1.00 52.14 H new ATOM 0 HG12 ILE A 87 8.268 -3.111 -9.986 1.00 32.15 H new ATOM 0 HG13 ILE A 87 8.034 -2.515 -8.355 1.00 32.15 H new ATOM 0 HG21 ILE A 87 7.866 -0.891 -10.933 1.00 30.24 H new ATOM 0 HG22 ILE A 87 6.360 -0.008 -10.592 1.00 30.24 H new ATOM 0 HG23 ILE A 87 7.591 -0.191 -9.320 1.00 30.24 H new ATOM 0 HD11 ILE A 87 7.816 -4.947 -8.439 1.00 61.31 H new ATOM 0 HD12 ILE A 87 6.268 -4.200 -7.979 1.00 61.31 H new ATOM 0 HD13 ILE A 87 6.506 -4.805 -9.635 1.00 61.31 H new ATOM 1346 N TRP A 88 4.590 0.535 -8.094 1.00 73.44 N ATOM 1347 CA TRP A 88 3.911 1.818 -8.297 1.00 15.21 C ATOM 1348 C TRP A 88 4.574 2.610 -9.441 1.00 52.02 C ATOM 1349 O TRP A 88 5.546 3.330 -9.227 1.00 1.24 O ATOM 1350 CB TRP A 88 3.962 2.628 -6.988 1.00 34.15 C ATOM 1351 CG TRP A 88 3.057 3.832 -6.936 1.00 71.34 C ATOM 1352 CD1 TRP A 88 2.421 4.444 -7.979 1.00 51.43 C ATOM 1353 CD2 TRP A 88 2.695 4.573 -5.763 1.00 21.35 C ATOM 1354 NE1 TRP A 88 1.683 5.510 -7.523 1.00 63.12 N ATOM 1355 CE2 TRP A 88 1.836 5.609 -6.168 1.00 11.14 C ATOM 1356 CE3 TRP A 88 3.012 4.456 -4.407 1.00 24.12 C ATOM 1357 CZ2 TRP A 88 1.293 6.523 -5.270 1.00 32.32 C ATOM 1358 CZ3 TRP A 88 2.474 5.364 -3.515 1.00 63.12 C ATOM 1359 CH2 TRP A 88 1.621 6.385 -3.949 1.00 13.35 C ATOM 0 H TRP A 88 5.080 0.465 -7.202 1.00 73.44 H new ATOM 0 HA TRP A 88 2.873 1.634 -8.573 1.00 15.21 H new ATOM 0 HB2 TRP A 88 3.705 1.966 -6.161 1.00 34.15 H new ATOM 0 HB3 TRP A 88 4.988 2.959 -6.825 1.00 34.15 H new ATOM 0 HD1 TRP A 88 2.488 4.135 -9.012 1.00 51.43 H new ATOM 0 HE1 TRP A 88 1.113 6.127 -8.102 1.00 63.12 H new ATOM 0 HE3 TRP A 88 3.666 3.669 -4.062 1.00 24.12 H new ATOM 0 HZ2 TRP A 88 0.636 7.313 -5.604 1.00 32.32 H new ATOM 0 HZ3 TRP A 88 2.716 5.284 -2.465 1.00 63.12 H new ATOM 0 HH2 TRP A 88 1.214 7.077 -3.227 1.00 13.35 H new ATOM 1370 N LYS A 89 4.051 2.460 -10.658 1.00 12.10 N ATOM 1371 CA LYS A 89 4.608 3.152 -11.829 1.00 74.31 C ATOM 1372 C LYS A 89 4.172 4.626 -11.892 1.00 24.31 C ATOM 1373 O LYS A 89 4.886 5.468 -12.435 1.00 24.30 O ATOM 1374 CB LYS A 89 4.206 2.424 -13.122 1.00 25.30 C ATOM 1375 CG LYS A 89 4.757 1.000 -13.224 1.00 34.14 C ATOM 1376 CD LYS A 89 4.451 0.340 -14.574 1.00 64.50 C ATOM 1377 CE LYS A 89 2.973 -0.027 -14.740 1.00 51.52 C ATOM 1378 NZ LYS A 89 2.082 1.162 -14.797 1.00 1.43 N ATOM 0 H LYS A 89 3.245 1.869 -10.862 1.00 12.10 H new ATOM 0 HA LYS A 89 5.693 3.136 -11.729 1.00 74.31 H new ATOM 0 HB2 LYS A 89 3.118 2.388 -13.185 1.00 25.30 H new ATOM 0 HB3 LYS A 89 4.556 3.002 -13.977 1.00 25.30 H new ATOM 0 HG2 LYS A 89 5.836 1.021 -13.071 1.00 34.14 H new ATOM 0 HG3 LYS A 89 4.333 0.393 -12.424 1.00 34.14 H new ATOM 0 HD2 LYS A 89 4.744 1.016 -15.377 1.00 64.50 H new ATOM 0 HD3 LYS A 89 5.057 -0.560 -14.678 1.00 64.50 H new ATOM 0 HE2 LYS A 89 2.850 -0.611 -15.652 1.00 51.52 H new ATOM 0 HE3 LYS A 89 2.667 -0.664 -13.910 1.00 51.52 H new ATOM 0 HZ1 LYS A 89 1.314 0.988 -15.476 1.00 1.43 H new ATOM 0 HZ2 LYS A 89 1.678 1.338 -13.855 1.00 1.43 H new ATOM 0 HZ3 LYS A 89 2.630 1.992 -15.100 1.00 1.43 H new ATOM 1392 N ASN A 90 3.003 4.935 -11.332 1.00 12.03 N ATOM 1393 CA ASN A 90 2.479 6.313 -11.341 1.00 61.34 C ATOM 1394 C ASN A 90 3.381 7.286 -10.559 1.00 23.20 C ATOM 1395 O ASN A 90 3.315 8.501 -10.755 1.00 2.54 O ATOM 1396 CB ASN A 90 1.063 6.343 -10.762 1.00 32.41 C ATOM 1397 CG ASN A 90 0.099 5.500 -11.571 1.00 31.52 C ATOM 1398 OD1 ASN A 90 -0.048 4.308 -11.340 1.00 63.33 O ATOM 1399 ND2 ASN A 90 -0.562 6.108 -12.531 1.00 33.34 N ATOM 0 H ASN A 90 2.398 4.258 -10.867 1.00 12.03 H new ATOM 0 HA ASN A 90 2.461 6.643 -12.380 1.00 61.34 H new ATOM 0 HB2 ASN A 90 1.085 5.982 -9.734 1.00 32.41 H new ATOM 0 HB3 ASN A 90 0.706 7.372 -10.731 1.00 32.41 H new ATOM 0 HD21 ASN A 90 -1.220 5.584 -13.108 1.00 33.34 H new ATOM 0 HD22 ASN A 90 -0.417 7.104 -12.699 1.00 33.34 H new ATOM 1406 N GLN A 91 4.214 6.751 -9.672 1.00 12.22 N ATOM 1407 CA GLN A 91 5.155 7.573 -8.904 1.00 32.30 C ATOM 1408 C GLN A 91 6.559 6.959 -8.927 1.00 33.53 C ATOM 1409 O GLN A 91 6.742 5.787 -8.593 1.00 34.02 O ATOM 1410 CB GLN A 91 4.687 7.731 -7.449 1.00 63.40 C ATOM 1411 CG GLN A 91 5.531 8.727 -6.659 1.00 12.30 C ATOM 1412 CD GLN A 91 5.192 8.770 -5.181 1.00 23.35 C ATOM 1413 OE1 GLN A 91 4.070 8.499 -4.769 1.00 41.43 O ATOM 1414 NE2 GLN A 91 6.155 9.151 -4.370 1.00 64.23 N ATOM 0 H GLN A 91 4.260 5.753 -9.464 1.00 12.22 H new ATOM 0 HA GLN A 91 5.189 8.557 -9.372 1.00 32.30 H new ATOM 0 HB2 GLN A 91 3.647 8.057 -7.440 1.00 63.40 H new ATOM 0 HB3 GLN A 91 4.721 6.760 -6.954 1.00 63.40 H new ATOM 0 HG2 GLN A 91 6.584 8.471 -6.775 1.00 12.30 H new ATOM 0 HG3 GLN A 91 5.397 9.722 -7.083 1.00 12.30 H new ATOM 0 HE21 GLN A 91 7.079 9.370 -4.743 1.00 64.23 H new ATOM 0 HE22 GLN A 91 5.978 9.228 -3.368 1.00 64.23 H new ATOM 1423 N ASN A 92 7.547 7.758 -9.310 1.00 13.53 N ATOM 1424 CA ASN A 92 8.928 7.289 -9.394 1.00 62.35 C ATOM 1425 C ASN A 92 9.490 6.964 -8.002 1.00 12.34 C ATOM 1426 O ASN A 92 10.016 5.870 -7.773 1.00 3.42 O ATOM 1427 CB ASN A 92 9.796 8.336 -10.096 1.00 30.30 C ATOM 1428 CG ASN A 92 9.257 8.692 -11.467 1.00 55.35 C ATOM 1429 OD1 ASN A 92 8.489 9.634 -11.623 1.00 63.24 O ATOM 1430 ND2 ASN A 92 9.635 7.930 -12.472 1.00 72.15 N ATOM 0 H ASN A 92 7.419 8.736 -9.568 1.00 13.53 H new ATOM 0 HA ASN A 92 8.942 6.370 -9.979 1.00 62.35 H new ATOM 0 HB2 ASN A 92 9.848 9.235 -9.482 1.00 30.30 H new ATOM 0 HB3 ASN A 92 10.814 7.957 -10.193 1.00 30.30 H new ATOM 0 HD21 ASN A 92 9.287 8.117 -13.413 1.00 72.15 H new ATOM 0 HD22 ASN A 92 10.276 7.153 -12.310 1.00 72.15 H new ATOM 1437 N SER A 93 9.368 7.917 -7.076 1.00 24.35 N ATOM 1438 CA SER A 93 9.839 7.729 -5.694 1.00 61.23 C ATOM 1439 C SER A 93 9.474 8.927 -4.805 1.00 20.34 C ATOM 1440 O SER A 93 8.829 9.879 -5.253 1.00 50.22 O ATOM 1441 CB SER A 93 11.363 7.512 -5.664 1.00 22.33 C ATOM 1442 OG SER A 93 11.838 7.358 -4.337 1.00 32.40 O ATOM 0 H SER A 93 8.947 8.829 -7.254 1.00 24.35 H new ATOM 0 HA SER A 93 9.340 6.843 -5.301 1.00 61.23 H new ATOM 0 HB2 SER A 93 11.618 6.628 -6.248 1.00 22.33 H new ATOM 0 HB3 SER A 93 11.862 8.359 -6.135 1.00 22.33 H new ATOM 0 HG SER A 93 11.478 6.531 -3.955 1.00 32.40 H new ATOM 1448 N TRP A 94 9.874 8.860 -3.539 1.00 34.40 N ATOM 1449 CA TRP A 94 9.676 9.956 -2.585 1.00 43.12 C ATOM 1450 C TRP A 94 10.750 9.901 -1.486 1.00 34.42 C ATOM 1451 O TRP A 94 11.633 9.048 -1.520 1.00 14.02 O ATOM 1452 CB TRP A 94 8.261 9.911 -1.966 1.00 44.51 C ATOM 1453 CG TRP A 94 7.983 8.713 -1.093 1.00 21.42 C ATOM 1454 CD1 TRP A 94 8.102 8.647 0.268 1.00 73.12 C ATOM 1455 CD2 TRP A 94 7.523 7.419 -1.515 1.00 4.13 C ATOM 1456 NE1 TRP A 94 7.751 7.397 0.717 1.00 62.41 N ATOM 1457 CE2 TRP A 94 7.390 6.624 -0.357 1.00 55.10 C ATOM 1458 CE3 TRP A 94 7.209 6.855 -2.754 1.00 24.51 C ATOM 1459 CZ2 TRP A 94 6.960 5.299 -0.407 1.00 72.44 C ATOM 1460 CZ3 TRP A 94 6.784 5.539 -2.803 1.00 22.00 C ATOM 1461 CH2 TRP A 94 6.660 4.774 -1.635 1.00 64.05 C ATOM 0 H TRP A 94 10.345 8.047 -3.142 1.00 34.40 H new ATOM 0 HA TRP A 94 9.771 10.898 -3.124 1.00 43.12 H new ATOM 0 HB2 TRP A 94 8.111 10.815 -1.375 1.00 44.51 H new ATOM 0 HB3 TRP A 94 7.528 9.932 -2.772 1.00 44.51 H new ATOM 0 HD1 TRP A 94 8.426 9.461 0.899 1.00 73.12 H new ATOM 0 HE1 TRP A 94 7.758 7.093 1.691 1.00 62.41 H new ATOM 0 HE3 TRP A 94 7.297 7.437 -3.660 1.00 24.51 H new ATOM 0 HZ2 TRP A 94 6.867 4.707 0.492 1.00 72.44 H new ATOM 0 HZ3 TRP A 94 6.544 5.094 -3.757 1.00 22.00 H new ATOM 0 HH2 TRP A 94 6.321 3.751 -1.705 1.00 64.05 H new ATOM 1472 N GLY A 95 10.690 10.821 -0.526 1.00 22.21 N ATOM 1473 CA GLY A 95 11.647 10.800 0.580 1.00 1.44 C ATOM 1474 C GLY A 95 11.995 12.190 1.098 1.00 42.30 C ATOM 1475 O GLY A 95 13.169 12.564 1.158 1.00 70.33 O ATOM 0 H GLY A 95 10.005 11.576 -0.489 1.00 22.21 H new ATOM 0 HA2 GLY A 95 11.236 10.207 1.397 1.00 1.44 H new ATOM 0 HA3 GLY A 95 12.560 10.302 0.253 1.00 1.44 H new ATOM 1479 N THR A 96 10.974 12.956 1.478 1.00 71.22 N ATOM 1480 CA THR A 96 11.171 14.315 2.006 1.00 73.11 C ATOM 1481 C THR A 96 11.590 14.290 3.481 1.00 62.41 C ATOM 1482 O THR A 96 12.450 15.059 3.912 1.00 31.41 O ATOM 1483 CB THR A 96 9.882 15.162 1.883 1.00 70.14 C ATOM 1484 OG1 THR A 96 8.826 14.568 2.657 1.00 40.50 O ATOM 1485 CG2 THR A 96 9.442 15.285 0.428 1.00 63.42 C ATOM 0 H THR A 96 9.998 12.663 1.432 1.00 71.22 H new ATOM 0 HA THR A 96 11.964 14.764 1.408 1.00 73.11 H new ATOM 0 HB THR A 96 10.097 16.160 2.264 1.00 70.14 H new ATOM 0 HG1 THR A 96 8.314 15.272 3.107 1.00 40.50 H new ATOM 0 HG21 THR A 96 8.534 15.885 0.372 1.00 63.42 H new ATOM 0 HG22 THR A 96 10.231 15.765 -0.151 1.00 63.42 H new ATOM 0 HG23 THR A 96 9.246 14.293 0.022 1.00 63.42 H new ATOM 1493 N GLY A 97 10.965 13.404 4.251 1.00 11.41 N ATOM 1494 CA GLY A 97 11.259 13.291 5.677 1.00 52.54 C ATOM 1495 C GLY A 97 10.106 13.766 6.558 1.00 0.51 C ATOM 1496 O GLY A 97 9.992 13.363 7.716 1.00 21.15 O ATOM 0 H GLY A 97 10.254 12.755 3.913 1.00 11.41 H new ATOM 0 HA2 GLY A 97 11.488 12.252 5.915 1.00 52.54 H new ATOM 0 HA3 GLY A 97 12.150 13.875 5.907 1.00 52.54 H new ATOM 1500 N GLU A 98 9.249 14.621 6.005 1.00 52.44 N ATOM 1501 CA GLU A 98 8.087 15.148 6.735 1.00 11.12 C ATOM 1502 C GLU A 98 6.961 14.108 6.857 1.00 31.53 C ATOM 1503 O GLU A 98 7.072 12.983 6.362 1.00 3.01 O ATOM 1504 CB GLU A 98 7.562 16.415 6.039 1.00 64.14 C ATOM 1505 CG GLU A 98 8.472 17.634 6.186 1.00 63.24 C ATOM 1506 CD GLU A 98 8.458 18.217 7.595 1.00 1.12 C ATOM 1507 OE1 GLU A 98 9.129 17.658 8.488 1.00 33.24 O ATOM 1508 OE2 GLU A 98 7.771 19.236 7.814 1.00 64.14 O ATOM 0 H GLU A 98 9.334 14.968 5.050 1.00 52.44 H new ATOM 0 HA GLU A 98 8.416 15.393 7.745 1.00 11.12 H new ATOM 0 HB2 GLU A 98 7.426 16.203 4.978 1.00 64.14 H new ATOM 0 HB3 GLU A 98 6.580 16.658 6.444 1.00 64.14 H new ATOM 0 HG2 GLU A 98 9.492 17.353 5.924 1.00 63.24 H new ATOM 0 HG3 GLU A 98 8.161 18.401 5.477 1.00 63.24 H new ATOM 1515 N ASP A 99 5.877 14.505 7.518 1.00 53.31 N ATOM 1516 CA ASP A 99 4.734 13.625 7.761 1.00 24.42 C ATOM 1517 C ASP A 99 3.989 13.264 6.460 1.00 22.44 C ATOM 1518 O ASP A 99 3.553 14.141 5.709 1.00 15.32 O ATOM 1519 CB ASP A 99 3.783 14.290 8.766 1.00 22.12 C ATOM 1520 CG ASP A 99 3.334 15.677 8.326 1.00 20.43 C ATOM 1521 OD1 ASP A 99 4.194 16.575 8.200 1.00 72.03 O ATOM 1522 OD2 ASP A 99 2.119 15.882 8.111 1.00 33.13 O ATOM 0 H ASP A 99 5.765 15.444 7.900 1.00 53.31 H new ATOM 0 HA ASP A 99 5.109 12.690 8.176 1.00 24.42 H new ATOM 0 HB2 ASP A 99 2.907 13.656 8.904 1.00 22.12 H new ATOM 0 HB3 ASP A 99 4.279 14.364 9.734 1.00 22.12 H new ATOM 1527 N VAL A 100 3.849 11.968 6.201 1.00 42.35 N ATOM 1528 CA VAL A 100 3.128 11.482 5.019 1.00 33.05 C ATOM 1529 C VAL A 100 2.178 10.328 5.386 1.00 75.01 C ATOM 1530 O VAL A 100 2.539 9.419 6.140 1.00 51.24 O ATOM 1531 CB VAL A 100 4.110 11.038 3.900 1.00 43.25 C ATOM 1532 CG1 VAL A 100 5.128 10.035 4.429 1.00 3.51 C ATOM 1533 CG2 VAL A 100 3.356 10.461 2.701 1.00 3.33 C ATOM 0 H VAL A 100 4.226 11.228 6.794 1.00 42.35 H new ATOM 0 HA VAL A 100 2.532 12.311 4.638 1.00 33.05 H new ATOM 0 HB VAL A 100 4.650 11.924 3.565 1.00 43.25 H new ATOM 0 HG11 VAL A 100 5.802 9.742 3.624 1.00 3.51 H new ATOM 0 HG12 VAL A 100 5.702 10.491 5.236 1.00 3.51 H new ATOM 0 HG13 VAL A 100 4.609 9.154 4.806 1.00 3.51 H new ATOM 0 HG21 VAL A 100 4.069 10.159 1.934 1.00 3.33 H new ATOM 0 HG22 VAL A 100 2.776 9.595 3.019 1.00 3.33 H new ATOM 0 HG23 VAL A 100 2.685 11.218 2.295 1.00 3.33 H new ATOM 1543 N LYS A 101 0.958 10.383 4.856 1.00 40.12 N ATOM 1544 CA LYS A 101 -0.082 9.396 5.173 1.00 21.02 C ATOM 1545 C LYS A 101 -0.613 8.701 3.906 1.00 50.23 C ATOM 1546 O LYS A 101 -0.864 9.349 2.888 1.00 31.00 O ATOM 1547 CB LYS A 101 -1.235 10.085 5.920 1.00 41.34 C ATOM 1548 CG LYS A 101 -2.384 9.148 6.284 1.00 31.44 C ATOM 1549 CD LYS A 101 -3.489 9.854 7.075 1.00 25.02 C ATOM 1550 CE LYS A 101 -4.193 10.950 6.271 1.00 14.22 C ATOM 1551 NZ LYS A 101 -3.414 12.217 6.217 1.00 1.52 N ATOM 0 H LYS A 101 0.660 11.105 4.200 1.00 40.12 H new ATOM 0 HA LYS A 101 0.362 8.629 5.807 1.00 21.02 H new ATOM 0 HB2 LYS A 101 -0.845 10.537 6.832 1.00 41.34 H new ATOM 0 HB3 LYS A 101 -1.622 10.896 5.302 1.00 41.34 H new ATOM 0 HG2 LYS A 101 -2.807 8.726 5.372 1.00 31.44 H new ATOM 0 HG3 LYS A 101 -1.997 8.315 6.871 1.00 31.44 H new ATOM 0 HD2 LYS A 101 -4.225 9.117 7.397 1.00 25.02 H new ATOM 0 HD3 LYS A 101 -3.060 10.291 7.977 1.00 25.02 H new ATOM 0 HE2 LYS A 101 -4.369 10.593 5.256 1.00 14.22 H new ATOM 0 HE3 LYS A 101 -5.170 11.148 6.713 1.00 14.22 H new ATOM 0 HZ1 LYS A 101 -4.009 13.005 6.544 1.00 1.52 H new ATOM 0 HZ2 LYS A 101 -2.578 12.137 6.830 1.00 1.52 H new ATOM 0 HZ3 LYS A 101 -3.110 12.396 5.239 1.00 1.52 H new ATOM 1565 N VAL A 102 -0.787 7.380 3.982 1.00 63.30 N ATOM 1566 CA VAL A 102 -1.305 6.588 2.860 1.00 1.41 C ATOM 1567 C VAL A 102 -2.742 6.109 3.132 1.00 22.43 C ATOM 1568 O VAL A 102 -3.014 5.440 4.132 1.00 12.21 O ATOM 1569 CB VAL A 102 -0.395 5.367 2.568 1.00 45.40 C ATOM 1570 CG1 VAL A 102 -0.970 4.509 1.442 1.00 72.40 C ATOM 1571 CG2 VAL A 102 1.025 5.826 2.230 1.00 25.42 C ATOM 0 H VAL A 102 -0.575 6.831 4.815 1.00 63.30 H new ATOM 0 HA VAL A 102 -1.312 7.238 1.985 1.00 1.41 H new ATOM 0 HB VAL A 102 -0.354 4.752 3.467 1.00 45.40 H new ATOM 0 HG11 VAL A 102 -0.311 3.660 1.259 1.00 72.40 H new ATOM 0 HG12 VAL A 102 -1.957 4.147 1.728 1.00 72.40 H new ATOM 0 HG13 VAL A 102 -1.052 5.107 0.534 1.00 72.40 H new ATOM 0 HG21 VAL A 102 1.650 4.956 2.028 1.00 25.42 H new ATOM 0 HG22 VAL A 102 1.000 6.468 1.349 1.00 25.42 H new ATOM 0 HG23 VAL A 102 1.438 6.382 3.072 1.00 25.42 H new ATOM 1581 N ILE A 103 -3.652 6.464 2.229 1.00 53.32 N ATOM 1582 CA ILE A 103 -5.074 6.139 2.367 1.00 63.14 C ATOM 1583 C ILE A 103 -5.485 4.962 1.464 1.00 25.34 C ATOM 1584 O ILE A 103 -5.113 4.909 0.292 1.00 65.20 O ATOM 1585 CB ILE A 103 -5.949 7.370 2.004 1.00 40.23 C ATOM 1586 CG1 ILE A 103 -5.590 8.575 2.893 1.00 4.02 C ATOM 1587 CG2 ILE A 103 -7.433 7.031 2.123 1.00 32.14 C ATOM 1588 CD1 ILE A 103 -5.856 8.350 4.367 1.00 42.51 C ATOM 0 H ILE A 103 -3.428 6.985 1.381 1.00 53.32 H new ATOM 0 HA ILE A 103 -5.233 5.855 3.407 1.00 63.14 H new ATOM 0 HB ILE A 103 -5.745 7.640 0.968 1.00 40.23 H new ATOM 0 HG12 ILE A 103 -4.535 8.814 2.756 1.00 4.02 H new ATOM 0 HG13 ILE A 103 -6.159 9.443 2.559 1.00 4.02 H new ATOM 0 HG21 ILE A 103 -8.028 7.907 1.864 1.00 32.14 H new ATOM 0 HG22 ILE A 103 -7.675 6.214 1.443 1.00 32.14 H new ATOM 0 HG23 ILE A 103 -7.656 6.730 3.146 1.00 32.14 H new ATOM 0 HD11 ILE A 103 -5.578 9.243 4.927 1.00 42.51 H new ATOM 0 HD12 ILE A 103 -6.915 8.142 4.518 1.00 42.51 H new ATOM 0 HD13 ILE A 103 -5.266 7.503 4.718 1.00 42.51 H new ATOM 1600 N LEU A 104 -6.258 4.026 2.016 1.00 34.55 N ATOM 1601 CA LEU A 104 -6.830 2.926 1.227 1.00 54.23 C ATOM 1602 C LEU A 104 -8.354 3.072 1.113 1.00 21.55 C ATOM 1603 O LEU A 104 -9.085 2.834 2.081 1.00 41.52 O ATOM 1604 CB LEU A 104 -6.490 1.562 1.848 1.00 11.04 C ATOM 1605 CG LEU A 104 -5.004 1.176 1.839 1.00 22.03 C ATOM 1606 CD1 LEU A 104 -4.817 -0.224 2.418 1.00 43.04 C ATOM 1607 CD2 LEU A 104 -4.428 1.258 0.426 1.00 32.42 C ATOM 0 H LEU A 104 -6.504 4.005 3.006 1.00 34.55 H new ATOM 0 HA LEU A 104 -6.391 2.977 0.231 1.00 54.23 H new ATOM 0 HB2 LEU A 104 -6.841 1.556 2.880 1.00 11.04 H new ATOM 0 HB3 LEU A 104 -7.049 0.792 1.316 1.00 11.04 H new ATOM 0 HG LEU A 104 -4.461 1.885 2.464 1.00 22.03 H new ATOM 0 HD11 LEU A 104 -3.759 -0.485 2.405 1.00 43.04 H new ATOM 0 HD12 LEU A 104 -5.184 -0.245 3.444 1.00 43.04 H new ATOM 0 HD13 LEU A 104 -5.375 -0.943 1.818 1.00 43.04 H new ATOM 0 HD21 LEU A 104 -3.374 0.980 0.446 1.00 32.42 H new ATOM 0 HD22 LEU A 104 -4.971 0.576 -0.228 1.00 32.42 H new ATOM 0 HD23 LEU A 104 -4.527 2.277 0.051 1.00 32.42 H new ATOM 1619 N LYS A 105 -8.829 3.476 -0.063 1.00 65.23 N ATOM 1620 CA LYS A 105 -10.268 3.620 -0.303 1.00 20.41 C ATOM 1621 C LYS A 105 -10.797 2.510 -1.222 1.00 10.02 C ATOM 1622 O LYS A 105 -10.229 2.235 -2.286 1.00 22.50 O ATOM 1623 CB LYS A 105 -10.583 5.000 -0.896 1.00 51.42 C ATOM 1624 CG LYS A 105 -10.274 6.151 0.055 1.00 2.05 C ATOM 1625 CD LYS A 105 -10.716 7.496 -0.508 1.00 31.34 C ATOM 1626 CE LYS A 105 -10.446 8.631 0.473 1.00 25.24 C ATOM 1627 NZ LYS A 105 -11.125 8.415 1.781 1.00 64.42 N ATOM 0 H LYS A 105 -8.243 3.710 -0.864 1.00 65.23 H new ATOM 0 HA LYS A 105 -10.773 3.529 0.658 1.00 20.41 H new ATOM 0 HB2 LYS A 105 -10.010 5.133 -1.814 1.00 51.42 H new ATOM 0 HB3 LYS A 105 -11.637 5.038 -1.170 1.00 51.42 H new ATOM 0 HG2 LYS A 105 -10.773 5.976 1.008 1.00 2.05 H new ATOM 0 HG3 LYS A 105 -9.203 6.177 0.256 1.00 2.05 H new ATOM 0 HD2 LYS A 105 -10.191 7.690 -1.443 1.00 31.34 H new ATOM 0 HD3 LYS A 105 -11.780 7.461 -0.741 1.00 31.34 H new ATOM 0 HE2 LYS A 105 -9.372 8.723 0.634 1.00 25.24 H new ATOM 0 HE3 LYS A 105 -10.785 9.572 0.040 1.00 25.24 H new ATOM 0 HZ1 LYS A 105 -11.524 9.315 2.118 1.00 64.42 H new ATOM 0 HZ2 LYS A 105 -11.889 7.720 1.665 1.00 64.42 H new ATOM 0 HZ3 LYS A 105 -10.437 8.060 2.475 1.00 64.42 H new ATOM 1641 N ASN A 106 -11.885 1.876 -0.798 1.00 3.54 N ATOM 1642 CA ASN A 106 -12.485 0.765 -1.538 1.00 4.35 C ATOM 1643 C ASN A 106 -13.203 1.251 -2.808 1.00 21.12 C ATOM 1644 O ASN A 106 -13.645 2.399 -2.892 1.00 73.54 O ATOM 1645 CB ASN A 106 -13.469 0.006 -0.638 1.00 71.30 C ATOM 1646 CG ASN A 106 -12.838 -0.442 0.671 1.00 4.42 C ATOM 1647 OD1 ASN A 106 -11.971 0.224 1.223 1.00 71.44 O ATOM 1648 ND2 ASN A 106 -13.264 -1.579 1.179 1.00 43.44 N ATOM 0 H ASN A 106 -12.376 2.114 0.064 1.00 3.54 H new ATOM 0 HA ASN A 106 -11.681 0.096 -1.845 1.00 4.35 H new ATOM 0 HB2 ASN A 106 -14.326 0.644 -0.424 1.00 71.30 H new ATOM 0 HB3 ASN A 106 -13.846 -0.866 -1.172 1.00 71.30 H new ATOM 0 HD21 ASN A 106 -12.871 -1.926 2.054 1.00 43.44 H new ATOM 0 HD22 ASN A 106 -13.987 -2.113 0.698 1.00 43.44 H new ATOM 1655 N SER A 107 -13.347 0.353 -3.782 1.00 13.32 N ATOM 1656 CA SER A 107 -13.944 0.682 -5.088 1.00 54.22 C ATOM 1657 C SER A 107 -15.371 1.252 -4.976 1.00 70.13 C ATOM 1658 O SER A 107 -15.884 1.840 -5.931 1.00 63.42 O ATOM 1659 CB SER A 107 -13.965 -0.567 -5.978 1.00 75.13 C ATOM 1660 OG SER A 107 -12.671 -1.137 -6.087 1.00 73.13 O ATOM 0 H SER A 107 -13.056 -0.621 -3.695 1.00 13.32 H new ATOM 0 HA SER A 107 -13.321 1.460 -5.530 1.00 54.22 H new ATOM 0 HB2 SER A 107 -14.656 -1.301 -5.563 1.00 75.13 H new ATOM 0 HB3 SER A 107 -14.335 -0.305 -6.969 1.00 75.13 H new ATOM 0 HG SER A 107 -12.711 -1.932 -6.658 1.00 73.13 H new ATOM 1666 N GLN A 108 -16.013 1.072 -3.820 1.00 4.24 N ATOM 1667 CA GLN A 108 -17.386 1.561 -3.613 1.00 54.10 C ATOM 1668 C GLN A 108 -17.428 2.875 -2.805 1.00 35.43 C ATOM 1669 O GLN A 108 -18.490 3.293 -2.345 1.00 71.44 O ATOM 1670 CB GLN A 108 -18.230 0.475 -2.928 1.00 45.40 C ATOM 1671 CG GLN A 108 -18.415 -0.774 -3.790 1.00 51.50 C ATOM 1672 CD GLN A 108 -19.281 -1.839 -3.137 1.00 43.21 C ATOM 1673 OE1 GLN A 108 -19.319 -1.972 -1.916 1.00 34.23 O ATOM 1674 NE2 GLN A 108 -19.980 -2.610 -3.948 1.00 73.42 N ATOM 0 H GLN A 108 -15.610 0.594 -3.014 1.00 4.24 H new ATOM 0 HA GLN A 108 -17.807 1.783 -4.594 1.00 54.10 H new ATOM 0 HB2 GLN A 108 -17.755 0.193 -1.988 1.00 45.40 H new ATOM 0 HB3 GLN A 108 -19.209 0.886 -2.680 1.00 45.40 H new ATOM 0 HG2 GLN A 108 -18.863 -0.486 -4.741 1.00 51.50 H new ATOM 0 HG3 GLN A 108 -17.437 -1.199 -4.014 1.00 51.50 H new ATOM 0 HE21 GLN A 108 -19.925 -2.472 -4.957 1.00 73.42 H new ATOM 0 HE22 GLN A 108 -20.576 -3.344 -3.566 1.00 73.42 H new ATOM 1683 N GLY A 109 -16.275 3.523 -2.635 1.00 24.52 N ATOM 1684 CA GLY A 109 -16.244 4.866 -2.043 1.00 5.20 C ATOM 1685 C GLY A 109 -15.833 4.911 -0.571 1.00 51.34 C ATOM 1686 O GLY A 109 -15.364 5.947 -0.089 1.00 52.32 O ATOM 0 H GLY A 109 -15.362 3.149 -2.893 1.00 24.52 H new ATOM 0 HA2 GLY A 109 -15.554 5.484 -2.617 1.00 5.20 H new ATOM 0 HA3 GLY A 109 -17.232 5.314 -2.143 1.00 5.20 H new ATOM 1690 N GLU A 110 -16.015 3.808 0.151 1.00 0.23 N ATOM 1691 CA GLU A 110 -15.673 3.759 1.579 1.00 43.41 C ATOM 1692 C GLU A 110 -14.155 3.628 1.802 1.00 31.35 C ATOM 1693 O GLU A 110 -13.387 3.476 0.853 1.00 3.11 O ATOM 1694 CB GLU A 110 -16.418 2.608 2.271 1.00 72.31 C ATOM 1695 CG GLU A 110 -16.041 1.220 1.768 1.00 24.41 C ATOM 1696 CD GLU A 110 -16.833 0.122 2.459 1.00 22.25 C ATOM 1697 OE1 GLU A 110 -16.599 -0.123 3.660 1.00 71.24 O ATOM 1698 OE2 GLU A 110 -17.710 -0.492 1.811 1.00 51.24 O ATOM 0 H GLU A 110 -16.395 2.938 -0.222 1.00 0.23 H new ATOM 0 HA GLU A 110 -15.989 4.703 2.023 1.00 43.41 H new ATOM 0 HB2 GLU A 110 -16.223 2.658 3.342 1.00 72.31 H new ATOM 0 HB3 GLU A 110 -17.490 2.752 2.135 1.00 72.31 H new ATOM 0 HG2 GLU A 110 -16.212 1.167 0.693 1.00 24.41 H new ATOM 0 HG3 GLU A 110 -14.976 1.054 1.930 1.00 24.41 H new ATOM 1705 N GLU A 111 -13.732 3.683 3.065 1.00 1.41 N ATOM 1706 CA GLU A 111 -12.305 3.649 3.418 1.00 70.22 C ATOM 1707 C GLU A 111 -12.019 2.578 4.488 1.00 42.23 C ATOM 1708 O GLU A 111 -12.825 2.369 5.398 1.00 20.05 O ATOM 1709 CB GLU A 111 -11.879 5.034 3.925 1.00 22.14 C ATOM 1710 CG GLU A 111 -10.395 5.168 4.246 1.00 61.14 C ATOM 1711 CD GLU A 111 -10.051 6.546 4.787 1.00 4.30 C ATOM 1712 OE1 GLU A 111 -9.965 7.499 3.984 1.00 11.02 O ATOM 1713 OE2 GLU A 111 -9.900 6.692 6.017 1.00 34.02 O ATOM 0 H GLU A 111 -14.358 3.752 3.867 1.00 1.41 H new ATOM 0 HA GLU A 111 -11.730 3.388 2.529 1.00 70.22 H new ATOM 0 HB2 GLU A 111 -12.142 5.778 3.173 1.00 22.14 H new ATOM 0 HB3 GLU A 111 -12.453 5.270 4.821 1.00 22.14 H new ATOM 0 HG2 GLU A 111 -10.113 4.411 4.977 1.00 61.14 H new ATOM 0 HG3 GLU A 111 -9.811 4.976 3.346 1.00 61.14 H new ATOM 1720 N VAL A 112 -10.875 1.896 4.377 1.00 75.33 N ATOM 1721 CA VAL A 112 -10.509 0.838 5.339 1.00 53.34 C ATOM 1722 C VAL A 112 -9.232 1.157 6.140 1.00 52.04 C ATOM 1723 O VAL A 112 -9.110 0.752 7.296 1.00 54.32 O ATOM 1724 CB VAL A 112 -10.334 -0.536 4.641 1.00 72.45 C ATOM 1725 CG1 VAL A 112 -11.677 -1.069 4.146 1.00 55.04 C ATOM 1726 CG2 VAL A 112 -9.327 -0.443 3.495 1.00 22.01 C ATOM 0 H VAL A 112 -10.188 2.051 3.639 1.00 75.33 H new ATOM 0 HA VAL A 112 -11.343 0.792 6.039 1.00 53.34 H new ATOM 0 HB VAL A 112 -9.942 -1.240 5.375 1.00 72.45 H new ATOM 0 HG11 VAL A 112 -11.529 -2.033 3.660 1.00 55.04 H new ATOM 0 HG12 VAL A 112 -12.355 -1.189 4.991 1.00 55.04 H new ATOM 0 HG13 VAL A 112 -12.107 -0.366 3.433 1.00 55.04 H new ATOM 0 HG21 VAL A 112 -9.223 -1.420 3.022 1.00 22.01 H new ATOM 0 HG22 VAL A 112 -9.679 0.280 2.759 1.00 22.01 H new ATOM 0 HG23 VAL A 112 -8.361 -0.123 3.885 1.00 22.01 H new ATOM 1736 N ALA A 113 -8.283 1.876 5.537 1.00 74.23 N ATOM 1737 CA ALA A 113 -6.999 2.164 6.198 1.00 73.02 C ATOM 1738 C ALA A 113 -6.523 3.607 5.963 1.00 31.32 C ATOM 1739 O ALA A 113 -6.837 4.221 4.941 1.00 5.34 O ATOM 1740 CB ALA A 113 -5.938 1.175 5.728 1.00 73.00 C ATOM 0 H ALA A 113 -8.373 2.269 4.600 1.00 74.23 H new ATOM 0 HA ALA A 113 -7.156 2.053 7.271 1.00 73.02 H new ATOM 0 HB1 ALA A 113 -4.991 1.395 6.222 1.00 73.00 H new ATOM 0 HB2 ALA A 113 -6.250 0.161 5.977 1.00 73.00 H new ATOM 0 HB3 ALA A 113 -5.813 1.261 4.649 1.00 73.00 H new ATOM 1746 N GLN A 114 -5.744 4.128 6.914 1.00 44.35 N ATOM 1747 CA GLN A 114 -5.250 5.511 6.858 1.00 23.32 C ATOM 1748 C GLN A 114 -3.952 5.677 7.682 1.00 32.34 C ATOM 1749 O GLN A 114 -3.797 6.633 8.452 1.00 73.14 O ATOM 1750 CB GLN A 114 -6.339 6.471 7.370 1.00 60.43 C ATOM 1751 CG GLN A 114 -6.801 6.184 8.797 1.00 20.25 C ATOM 1752 CD GLN A 114 -7.856 7.164 9.291 1.00 50.23 C ATOM 1753 OE1 GLN A 114 -7.909 7.485 10.474 1.00 4.03 O ATOM 1754 NE2 GLN A 114 -8.724 7.623 8.410 1.00 33.55 N ATOM 0 H GLN A 114 -5.439 3.611 7.738 1.00 44.35 H new ATOM 0 HA GLN A 114 -5.016 5.752 5.821 1.00 23.32 H new ATOM 0 HB2 GLN A 114 -5.961 7.492 7.320 1.00 60.43 H new ATOM 0 HB3 GLN A 114 -7.199 6.417 6.703 1.00 60.43 H new ATOM 0 HG2 GLN A 114 -7.202 5.172 8.846 1.00 20.25 H new ATOM 0 HG3 GLN A 114 -5.940 6.218 9.465 1.00 20.25 H new ATOM 0 HE21 GLN A 114 -8.657 7.340 7.432 1.00 33.55 H new ATOM 0 HE22 GLN A 114 -9.462 8.261 8.706 1.00 33.55 H new ATOM 1763 N ARG A 115 -3.012 4.753 7.494 1.00 20.53 N ATOM 1764 CA ARG A 115 -1.759 4.741 8.266 1.00 71.40 C ATOM 1765 C ARG A 115 -0.778 5.829 7.789 1.00 1.12 C ATOM 1766 O ARG A 115 -0.774 6.216 6.619 1.00 23.34 O ATOM 1767 CB ARG A 115 -1.088 3.361 8.156 1.00 1.05 C ATOM 1768 CG ARG A 115 0.087 3.161 9.116 1.00 25.41 C ATOM 1769 CD ARG A 115 0.837 1.865 8.827 1.00 1.51 C ATOM 1770 NE ARG A 115 1.816 1.540 9.864 1.00 41.13 N ATOM 1771 CZ ARG A 115 3.085 1.851 9.815 1.00 42.45 C ATOM 1772 NH1 ARG A 115 3.556 2.599 8.868 1.00 15.05 N ATOM 1773 NH2 ARG A 115 3.886 1.428 10.735 1.00 24.12 N ATOM 0 H ARG A 115 -3.090 3.998 6.813 1.00 20.53 H new ATOM 0 HA ARG A 115 -2.013 4.951 9.305 1.00 71.40 H new ATOM 0 HB2 ARG A 115 -1.834 2.590 8.346 1.00 1.05 H new ATOM 0 HB3 ARG A 115 -0.737 3.220 7.134 1.00 1.05 H new ATOM 0 HG2 ARG A 115 0.772 4.004 9.033 1.00 25.41 H new ATOM 0 HG3 ARG A 115 -0.280 3.148 10.142 1.00 25.41 H new ATOM 0 HD2 ARG A 115 0.122 1.047 8.738 1.00 1.51 H new ATOM 0 HD3 ARG A 115 1.345 1.950 7.866 1.00 1.51 H new ATOM 0 HE ARG A 115 1.485 1.034 10.685 1.00 41.13 H new ATOM 0 HH11 ARG A 115 2.934 2.956 8.143 1.00 15.05 H new ATOM 0 HH12 ARG A 115 4.549 2.830 8.847 1.00 15.05 H new ATOM 0 HH21 ARG A 115 3.528 0.853 11.498 1.00 24.12 H new ATOM 0 HH22 ARG A 115 4.876 1.669 10.699 1.00 24.12 H new ATOM 1787 N SER A 116 0.061 6.312 8.704 1.00 44.32 N ATOM 1788 CA SER A 116 1.118 7.279 8.362 1.00 42.23 C ATOM 1789 C SER A 116 2.507 6.683 8.615 1.00 14.55 C ATOM 1790 O SER A 116 2.632 5.579 9.152 1.00 64.03 O ATOM 1791 CB SER A 116 0.963 8.572 9.178 1.00 32.53 C ATOM 1792 OG SER A 116 1.156 8.344 10.571 1.00 33.42 O ATOM 0 H SER A 116 0.034 6.053 9.690 1.00 44.32 H new ATOM 0 HA SER A 116 1.018 7.512 7.302 1.00 42.23 H new ATOM 0 HB2 SER A 116 1.683 9.312 8.827 1.00 32.53 H new ATOM 0 HB3 SER A 116 -0.030 8.990 9.012 1.00 32.53 H new ATOM 0 HG SER A 116 1.052 9.188 11.058 1.00 33.42 H new ATOM 1798 N THR A 117 3.550 7.405 8.218 1.00 15.33 N ATOM 1799 CA THR A 117 4.927 6.976 8.491 1.00 30.40 C ATOM 1800 C THR A 117 5.351 7.324 9.924 1.00 75.32 C ATOM 1801 O THR A 117 4.659 8.059 10.631 1.00 12.23 O ATOM 1802 CB THR A 117 5.937 7.619 7.508 1.00 13.24 C ATOM 1803 OG1 THR A 117 5.798 9.051 7.522 1.00 52.24 O ATOM 1804 CG2 THR A 117 5.733 7.093 6.092 1.00 14.24 C ATOM 0 H THR A 117 3.474 8.286 7.709 1.00 15.33 H new ATOM 0 HA THR A 117 4.938 5.894 8.360 1.00 30.40 H new ATOM 0 HB THR A 117 6.943 7.351 7.832 1.00 13.24 H new ATOM 0 HG1 THR A 117 6.540 9.457 7.026 1.00 52.24 H new ATOM 0 HG21 THR A 117 6.455 7.561 5.423 1.00 14.24 H new ATOM 0 HG22 THR A 117 5.875 6.012 6.081 1.00 14.24 H new ATOM 0 HG23 THR A 117 4.723 7.329 5.758 1.00 14.24 H new ATOM 1812 N VAL A 118 6.492 6.785 10.344 1.00 13.21 N ATOM 1813 CA VAL A 118 7.049 7.069 11.671 1.00 25.25 C ATOM 1814 C VAL A 118 8.476 7.630 11.553 1.00 12.31 C ATOM 1815 O VAL A 118 9.319 7.075 10.846 1.00 12.14 O ATOM 1816 CB VAL A 118 7.045 5.797 12.567 1.00 22.14 C ATOM 1817 CG1 VAL A 118 7.817 4.654 11.907 1.00 55.10 C ATOM 1818 CG2 VAL A 118 7.605 6.110 13.956 1.00 64.22 C ATOM 0 H VAL A 118 7.055 6.145 9.784 1.00 13.21 H new ATOM 0 HA VAL A 118 6.415 7.820 12.142 1.00 25.25 H new ATOM 0 HB VAL A 118 6.011 5.472 12.685 1.00 22.14 H new ATOM 0 HG11 VAL A 118 7.797 3.779 12.556 1.00 55.10 H new ATOM 0 HG12 VAL A 118 7.355 4.407 10.951 1.00 55.10 H new ATOM 0 HG13 VAL A 118 8.850 4.960 11.742 1.00 55.10 H new ATOM 0 HG21 VAL A 118 7.593 5.206 14.565 1.00 64.22 H new ATOM 0 HG22 VAL A 118 8.629 6.471 13.863 1.00 64.22 H new ATOM 0 HG23 VAL A 118 6.992 6.876 14.431 1.00 64.22 H new