USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=28 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 101 LYS NZ :NH3+ 145:sc= -1.95! (180deg=-3.76!) USER MOD Set 1.2: A 116 SER OG : rot 159:sc= 0.49 USER MOD Set 2.1: A 75 ASN : amide:sc= -0.721 X(o=-0.84,f=-0.67) USER MOD Set 2.2: A 92 ASN : amide:sc= -0.115 X(o=-0.84,f=-0.63) USER MOD Set 3.1: A 67 GLN : amide:sc= 0.55 K(o=-0.17,f=-6.8!) USER MOD Set 3.2: A 68 THR OG1 : rot 45:sc= -0.717 USER MOD Set 4.1: A 31 ASN : amide:sc= -1.18 X(o=-0.36,f=-0.36) USER MOD Set 4.2: A 33 SER OG : rot 128:sc= 0.824 USER MOD Single : A 14 ASN : amide:sc= -1.35! C(o=-1.3!,f=-1.3!) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -154:sc= -1.62 (180deg=-3.05!) USER MOD Single : A 30 LYS NZ :NH3+ 136:sc= 1.08 (180deg=-0.538) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 39 MET CE :methyl 164:sc= -0.0798 (180deg=-0.399) USER MOD Single : A 44 MET CE :methyl -105:sc= -0.516 (180deg=-3.05!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 52 SER OG : rot 28:sc= 0.711 USER MOD Single : A 54 SER OG : rot 180:sc= -1.22 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0748) USER MOD Single : A 57 TYR OH : rot -99:sc= -0.0338 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 118:sc= 0.153 USER MOD Single : A 61 TYR OH : rot -121:sc= 1.01 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 82:sc= -0.685 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0822 USER MOD Single : A 81 SER OG : rot 180:sc= -0.131 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0542) USER MOD Single : A 90 ASN : amide:sc= -0.0863 X(o=-0.086,f=-0.55!) USER MOD Single : A 91 GLN : amide:sc= -2.17! X(o=-2.2!,f=-2) USER MOD Single : A 93 SER OG : rot 11:sc= 0.333 USER MOD Single : A 96 THR OG1 : rot 150:sc= -0.379 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.0217 K(o=-0.022,f=-1.1) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 114 GLN : amide:sc= 0.232 X(o=0.23,f=0) USER MOD Single : A 117 THR OG1 : rot 51:sc= 0.157 USER MOD ----------------------------------------------------------------- ATOM 202 N ASN A 14 -9.665 -7.620 4.972 1.00 63.24 N ATOM 203 CA ASN A 14 -8.610 -7.788 5.983 1.00 43.31 C ATOM 204 C ASN A 14 -7.269 -7.185 5.532 1.00 50.04 C ATOM 205 O ASN A 14 -6.243 -7.368 6.197 1.00 43.53 O ATOM 206 CB ASN A 14 -8.436 -9.273 6.312 1.00 53.20 C ATOM 207 CG ASN A 14 -9.615 -9.834 7.088 1.00 40.23 C ATOM 208 OD1 ASN A 14 -10.602 -10.276 6.513 1.00 62.14 O ATOM 209 ND2 ASN A 14 -9.513 -9.837 8.402 1.00 70.12 N ATOM 0 HA ASN A 14 -8.923 -7.247 6.876 1.00 43.31 H new ATOM 0 HB2 ASN A 14 -8.312 -9.836 5.387 1.00 53.20 H new ATOM 0 HB3 ASN A 14 -7.524 -9.410 6.893 1.00 53.20 H new ATOM 0 HD21 ASN A 14 -10.270 -10.215 8.971 1.00 70.12 H new ATOM 0 HD22 ASN A 14 -8.677 -9.461 8.849 1.00 70.12 H new ATOM 216 N VAL A 15 -7.284 -6.453 4.423 1.00 50.12 N ATOM 217 CA VAL A 15 -6.075 -5.804 3.905 1.00 15.42 C ATOM 218 C VAL A 15 -5.768 -4.504 4.672 1.00 70.40 C ATOM 219 O VAL A 15 -6.613 -3.611 4.768 1.00 43.01 O ATOM 220 CB VAL A 15 -6.210 -5.489 2.393 1.00 11.43 C ATOM 221 CG1 VAL A 15 -4.921 -4.872 1.844 1.00 75.01 C ATOM 222 CG2 VAL A 15 -6.594 -6.748 1.612 1.00 3.43 C ATOM 0 H VAL A 15 -8.120 -6.291 3.861 1.00 50.12 H new ATOM 0 HA VAL A 15 -5.251 -6.503 4.049 1.00 15.42 H new ATOM 0 HB VAL A 15 -7.008 -4.757 2.268 1.00 11.43 H new ATOM 0 HG11 VAL A 15 -5.043 -4.661 0.782 1.00 75.01 H new ATOM 0 HG12 VAL A 15 -4.706 -3.945 2.376 1.00 75.01 H new ATOM 0 HG13 VAL A 15 -4.096 -5.570 1.983 1.00 75.01 H new ATOM 0 HG21 VAL A 15 -6.684 -6.506 0.553 1.00 3.43 H new ATOM 0 HG22 VAL A 15 -5.825 -7.508 1.746 1.00 3.43 H new ATOM 0 HG23 VAL A 15 -7.547 -7.128 1.980 1.00 3.43 H new ATOM 232 N CYS A 16 -4.559 -4.410 5.222 1.00 61.01 N ATOM 233 CA CYS A 16 -4.124 -3.222 5.970 1.00 65.31 C ATOM 234 C CYS A 16 -2.627 -2.950 5.749 1.00 53.43 C ATOM 235 O CYS A 16 -1.936 -3.742 5.112 1.00 13.11 O ATOM 236 CB CYS A 16 -4.416 -3.399 7.468 1.00 4.41 C ATOM 237 SG CYS A 16 -3.688 -4.884 8.203 1.00 60.11 S ATOM 0 H CYS A 16 -3.855 -5.146 5.165 1.00 61.01 H new ATOM 0 HA CYS A 16 -4.685 -2.364 5.599 1.00 65.31 H new ATOM 0 HB2 CYS A 16 -4.046 -2.525 8.003 1.00 4.41 H new ATOM 0 HB3 CYS A 16 -5.496 -3.428 7.614 1.00 4.41 H new ATOM 0 HG CYS A 16 -3.992 -4.937 9.466 1.00 60.11 H new ATOM 243 N ILE A 17 -2.126 -1.836 6.277 1.00 70.33 N ATOM 244 CA ILE A 17 -0.715 -1.461 6.088 1.00 61.15 C ATOM 245 C ILE A 17 0.177 -2.051 7.192 1.00 0.03 C ATOM 246 O ILE A 17 -0.064 -1.830 8.379 1.00 21.11 O ATOM 247 CB ILE A 17 -0.536 0.082 6.067 1.00 13.42 C ATOM 248 CG1 ILE A 17 -1.369 0.704 4.933 1.00 2.42 C ATOM 249 CG2 ILE A 17 0.940 0.452 5.919 1.00 73.51 C ATOM 250 CD1 ILE A 17 -1.289 2.217 4.866 1.00 43.01 C ATOM 0 H ILE A 17 -2.667 -1.177 6.837 1.00 70.33 H new ATOM 0 HA ILE A 17 -0.411 -1.871 5.125 1.00 61.15 H new ATOM 0 HB ILE A 17 -0.893 0.483 7.016 1.00 13.42 H new ATOM 0 HG12 ILE A 17 -1.034 0.290 3.982 1.00 2.42 H new ATOM 0 HG13 ILE A 17 -2.411 0.411 5.059 1.00 2.42 H new ATOM 0 HG21 ILE A 17 1.044 1.537 5.906 1.00 73.51 H new ATOM 0 HG22 ILE A 17 1.503 0.043 6.758 1.00 73.51 H new ATOM 0 HG23 ILE A 17 1.327 0.040 4.987 1.00 73.51 H new ATOM 0 HD11 ILE A 17 -1.903 2.578 4.041 1.00 43.01 H new ATOM 0 HD12 ILE A 17 -1.652 2.642 5.802 1.00 43.01 H new ATOM 0 HD13 ILE A 17 -0.254 2.520 4.707 1.00 43.01 H new ATOM 262 N GLU A 18 1.208 -2.800 6.799 1.00 33.33 N ATOM 263 CA GLU A 18 2.162 -3.364 7.761 1.00 72.22 C ATOM 264 C GLU A 18 3.187 -2.308 8.198 1.00 2.13 C ATOM 265 O GLU A 18 3.375 -2.063 9.393 1.00 51.52 O ATOM 266 CB GLU A 18 2.885 -4.584 7.162 1.00 54.34 C ATOM 267 CG GLU A 18 3.948 -5.174 8.088 1.00 44.14 C ATOM 268 CD GLU A 18 4.611 -6.426 7.532 1.00 32.44 C ATOM 269 OE1 GLU A 18 5.343 -6.322 6.529 1.00 72.11 O ATOM 270 OE2 GLU A 18 4.418 -7.518 8.113 1.00 42.02 O ATOM 0 H GLU A 18 1.405 -3.031 5.825 1.00 33.33 H new ATOM 0 HA GLU A 18 1.600 -3.687 8.637 1.00 72.22 H new ATOM 0 HB2 GLU A 18 2.150 -5.354 6.928 1.00 54.34 H new ATOM 0 HB3 GLU A 18 3.353 -4.294 6.222 1.00 54.34 H new ATOM 0 HG2 GLU A 18 4.713 -4.421 8.276 1.00 44.14 H new ATOM 0 HG3 GLU A 18 3.491 -5.411 9.049 1.00 44.14 H new ATOM 277 N GLU A 19 3.840 -1.679 7.224 1.00 3.13 N ATOM 278 CA GLU A 19 4.864 -0.672 7.509 1.00 2.24 C ATOM 279 C GLU A 19 5.205 0.166 6.262 1.00 20.41 C ATOM 280 O GLU A 19 5.337 -0.360 5.155 1.00 54.11 O ATOM 281 CB GLU A 19 6.130 -1.359 8.046 1.00 13.54 C ATOM 282 CG GLU A 19 7.217 -0.396 8.512 1.00 50.01 C ATOM 283 CD GLU A 19 8.397 -1.120 9.138 1.00 53.13 C ATOM 284 OE1 GLU A 19 8.246 -1.641 10.266 1.00 12.45 O ATOM 285 OE2 GLU A 19 9.470 -1.192 8.508 1.00 52.22 O ATOM 0 H GLU A 19 3.680 -1.847 6.231 1.00 3.13 H new ATOM 0 HA GLU A 19 4.466 0.008 8.263 1.00 2.24 H new ATOM 0 HB2 GLU A 19 5.853 -2.006 8.878 1.00 13.54 H new ATOM 0 HB3 GLU A 19 6.540 -2.001 7.266 1.00 13.54 H new ATOM 0 HG2 GLU A 19 7.564 0.195 7.664 1.00 50.01 H new ATOM 0 HG3 GLU A 19 6.796 0.302 9.236 1.00 50.01 H new ATOM 292 N ILE A 20 5.336 1.477 6.451 1.00 44.40 N ATOM 293 CA ILE A 20 5.724 2.388 5.367 1.00 61.43 C ATOM 294 C ILE A 20 7.190 2.809 5.527 1.00 42.33 C ATOM 295 O ILE A 20 7.587 3.300 6.584 1.00 64.35 O ATOM 296 CB ILE A 20 4.828 3.654 5.345 1.00 53.32 C ATOM 297 CG1 ILE A 20 3.346 3.259 5.215 1.00 62.33 C ATOM 298 CG2 ILE A 20 5.240 4.587 4.203 1.00 31.01 C ATOM 299 CD1 ILE A 20 2.391 4.434 5.223 1.00 2.42 C ATOM 0 H ILE A 20 5.179 1.938 7.347 1.00 44.40 H new ATOM 0 HA ILE A 20 5.594 1.854 4.426 1.00 61.43 H new ATOM 0 HB ILE A 20 4.962 4.188 6.286 1.00 53.32 H new ATOM 0 HG12 ILE A 20 3.210 2.700 4.289 1.00 62.33 H new ATOM 0 HG13 ILE A 20 3.087 2.588 6.034 1.00 62.33 H new ATOM 0 HG21 ILE A 20 4.600 5.469 4.205 1.00 31.01 H new ATOM 0 HG22 ILE A 20 6.278 4.892 4.339 1.00 31.01 H new ATOM 0 HG23 ILE A 20 5.136 4.065 3.252 1.00 31.01 H new ATOM 0 HD11 ILE A 20 1.367 4.072 5.127 1.00 2.42 H new ATOM 0 HD12 ILE A 20 2.496 4.982 6.159 1.00 2.42 H new ATOM 0 HD13 ILE A 20 2.621 5.096 4.388 1.00 2.42 H new ATOM 311 N ASP A 21 7.990 2.618 4.481 1.00 33.32 N ATOM 312 CA ASP A 21 9.417 2.933 4.545 1.00 2.45 C ATOM 313 C ASP A 21 9.665 4.448 4.677 1.00 73.33 C ATOM 314 O ASP A 21 9.243 5.239 3.831 1.00 51.44 O ATOM 315 CB ASP A 21 10.124 2.386 3.306 1.00 24.25 C ATOM 316 CG ASP A 21 11.606 2.703 3.304 1.00 64.00 C ATOM 317 OD1 ASP A 21 12.284 2.390 4.304 1.00 32.30 O ATOM 318 OD2 ASP A 21 12.093 3.264 2.305 1.00 63.42 O ATOM 0 H ASP A 21 7.678 2.249 3.583 1.00 33.32 H new ATOM 0 HA ASP A 21 9.825 2.458 5.437 1.00 2.45 H new ATOM 0 HB2 ASP A 21 9.985 1.306 3.258 1.00 24.25 H new ATOM 0 HB3 ASP A 21 9.663 2.806 2.412 1.00 24.25 H new ATOM 323 N VAL A 22 10.367 4.838 5.742 1.00 51.32 N ATOM 324 CA VAL A 22 10.663 6.251 6.010 1.00 42.35 C ATOM 325 C VAL A 22 11.702 6.818 5.025 1.00 23.52 C ATOM 326 O VAL A 22 11.728 8.023 4.759 1.00 54.45 O ATOM 327 CB VAL A 22 11.159 6.450 7.468 1.00 72.15 C ATOM 328 CG1 VAL A 22 12.457 5.678 7.717 1.00 53.22 C ATOM 329 CG2 VAL A 22 11.325 7.937 7.799 1.00 65.11 C ATOM 0 H VAL A 22 10.744 4.194 6.437 1.00 51.32 H new ATOM 0 HA VAL A 22 9.731 6.799 5.873 1.00 42.35 H new ATOM 0 HB VAL A 22 10.399 6.047 8.137 1.00 72.15 H new ATOM 0 HG11 VAL A 22 12.782 5.835 8.746 1.00 53.22 H new ATOM 0 HG12 VAL A 22 12.286 4.615 7.549 1.00 53.22 H new ATOM 0 HG13 VAL A 22 13.229 6.034 7.034 1.00 53.22 H new ATOM 0 HG21 VAL A 22 11.673 8.044 8.826 1.00 65.11 H new ATOM 0 HG22 VAL A 22 12.053 8.382 7.121 1.00 65.11 H new ATOM 0 HG23 VAL A 22 10.367 8.444 7.686 1.00 65.11 H new ATOM 339 N ASP A 23 12.552 5.948 4.479 1.00 24.21 N ATOM 340 CA ASP A 23 13.561 6.375 3.507 1.00 64.02 C ATOM 341 C ASP A 23 12.895 6.788 2.181 1.00 21.33 C ATOM 342 O ASP A 23 13.366 7.701 1.493 1.00 4.40 O ATOM 343 CB ASP A 23 14.590 5.257 3.288 1.00 24.31 C ATOM 344 CG ASP A 23 15.750 5.688 2.406 1.00 52.44 C ATOM 345 OD1 ASP A 23 16.462 6.649 2.776 1.00 34.21 O ATOM 346 OD2 ASP A 23 15.971 5.060 1.350 1.00 2.11 O ATOM 0 H ASP A 23 12.563 4.950 4.691 1.00 24.21 H new ATOM 0 HA ASP A 23 14.084 7.246 3.901 1.00 64.02 H new ATOM 0 HB2 ASP A 23 14.976 4.930 4.254 1.00 24.31 H new ATOM 0 HB3 ASP A 23 14.095 4.398 2.835 1.00 24.31 H new ATOM 351 N GLY A 24 11.794 6.116 1.837 1.00 72.12 N ATOM 352 CA GLY A 24 10.983 6.511 0.685 1.00 51.34 C ATOM 353 C GLY A 24 11.080 5.557 -0.503 1.00 35.25 C ATOM 354 O GLY A 24 10.930 5.973 -1.654 1.00 64.34 O ATOM 0 H GLY A 24 11.445 5.299 2.338 1.00 72.12 H new ATOM 0 HA2 GLY A 24 9.941 6.582 0.996 1.00 51.34 H new ATOM 0 HA3 GLY A 24 11.289 7.507 0.363 1.00 51.34 H new ATOM 358 N LYS A 25 11.314 4.276 -0.233 1.00 20.53 N ATOM 359 CA LYS A 25 11.485 3.282 -1.300 1.00 62.33 C ATOM 360 C LYS A 25 10.204 2.470 -1.570 1.00 42.41 C ATOM 361 O LYS A 25 9.880 2.183 -2.727 1.00 20.31 O ATOM 362 CB LYS A 25 12.638 2.328 -0.950 1.00 63.23 C ATOM 363 CG LYS A 25 13.945 3.044 -0.615 1.00 42.25 C ATOM 364 CD LYS A 25 15.109 2.074 -0.381 1.00 64.35 C ATOM 365 CE LYS A 25 15.743 1.583 -1.683 1.00 13.24 C ATOM 366 NZ LYS A 25 14.811 0.769 -2.508 1.00 75.41 N ATOM 0 H LYS A 25 11.390 3.898 0.711 1.00 20.53 H new ATOM 0 HA LYS A 25 11.716 3.833 -2.212 1.00 62.33 H new ATOM 0 HB2 LYS A 25 12.343 1.712 -0.101 1.00 63.23 H new ATOM 0 HB3 LYS A 25 12.808 1.654 -1.789 1.00 63.23 H new ATOM 0 HG2 LYS A 25 14.201 3.723 -1.428 1.00 42.25 H new ATOM 0 HG3 LYS A 25 13.802 3.655 0.276 1.00 42.25 H new ATOM 0 HD2 LYS A 25 15.870 2.566 0.225 1.00 64.35 H new ATOM 0 HD3 LYS A 25 14.752 1.217 0.190 1.00 64.35 H new ATOM 0 HE2 LYS A 25 16.080 2.442 -2.264 1.00 13.24 H new ATOM 0 HE3 LYS A 25 16.627 0.990 -1.450 1.00 13.24 H new ATOM 0 HZ1 LYS A 25 15.357 0.119 -3.109 1.00 75.41 H new ATOM 0 HZ2 LYS A 25 14.184 0.221 -1.885 1.00 75.41 H new ATOM 0 HZ3 LYS A 25 14.239 1.397 -3.108 1.00 75.41 H new ATOM 380 N PHE A 26 9.478 2.096 -0.513 1.00 54.34 N ATOM 381 CA PHE A 26 8.311 1.210 -0.668 1.00 11.41 C ATOM 382 C PHE A 26 7.257 1.391 0.443 1.00 14.41 C ATOM 383 O PHE A 26 7.549 1.876 1.537 1.00 35.23 O ATOM 384 CB PHE A 26 8.775 -0.256 -0.703 1.00 32.12 C ATOM 385 CG PHE A 26 9.502 -0.706 0.546 1.00 60.14 C ATOM 386 CD1 PHE A 26 10.876 -0.535 0.669 1.00 33.44 C ATOM 387 CD2 PHE A 26 8.814 -1.304 1.596 1.00 33.42 C ATOM 388 CE1 PHE A 26 11.543 -0.947 1.807 1.00 73.33 C ATOM 389 CE2 PHE A 26 9.479 -1.717 2.736 1.00 34.54 C ATOM 390 CZ PHE A 26 10.845 -1.538 2.841 1.00 30.55 C ATOM 0 H PHE A 26 9.669 2.385 0.446 1.00 54.34 H new ATOM 0 HA PHE A 26 7.831 1.484 -1.607 1.00 11.41 H new ATOM 0 HB2 PHE A 26 7.907 -0.897 -0.855 1.00 32.12 H new ATOM 0 HB3 PHE A 26 9.430 -0.398 -1.562 1.00 32.12 H new ATOM 0 HD1 PHE A 26 11.430 -0.074 -0.136 1.00 33.44 H new ATOM 0 HD2 PHE A 26 7.746 -1.448 1.520 1.00 33.42 H new ATOM 0 HE1 PHE A 26 12.611 -0.807 1.887 1.00 73.33 H new ATOM 0 HE2 PHE A 26 8.931 -2.179 3.544 1.00 34.54 H new ATOM 0 HZ PHE A 26 11.366 -1.860 3.731 1.00 30.55 H new ATOM 400 N ILE A 27 6.025 0.983 0.136 1.00 42.31 N ATOM 401 CA ILE A 27 4.926 0.965 1.109 1.00 33.53 C ATOM 402 C ILE A 27 4.418 -0.476 1.289 1.00 53.25 C ATOM 403 O ILE A 27 3.774 -1.027 0.400 1.00 32.00 O ATOM 404 CB ILE A 27 3.755 1.871 0.644 1.00 54.13 C ATOM 405 CG1 ILE A 27 4.259 3.301 0.385 1.00 75.44 C ATOM 406 CG2 ILE A 27 2.630 1.868 1.679 1.00 21.11 C ATOM 407 CD1 ILE A 27 3.215 4.227 -0.199 1.00 51.45 C ATOM 0 H ILE A 27 5.759 0.656 -0.793 1.00 42.31 H new ATOM 0 HA ILE A 27 5.303 1.347 2.058 1.00 33.53 H new ATOM 0 HB ILE A 27 3.355 1.474 -0.289 1.00 54.13 H new ATOM 0 HG12 ILE A 27 4.620 3.723 1.323 1.00 75.44 H new ATOM 0 HG13 ILE A 27 5.111 3.257 -0.294 1.00 75.44 H new ATOM 0 HG21 ILE A 27 1.818 2.509 1.336 1.00 21.11 H new ATOM 0 HG22 ILE A 27 2.259 0.851 1.811 1.00 21.11 H new ATOM 0 HG23 ILE A 27 3.010 2.242 2.630 1.00 21.11 H new ATOM 0 HD11 ILE A 27 3.649 5.215 -0.352 1.00 51.45 H new ATOM 0 HD12 ILE A 27 2.870 3.831 -1.154 1.00 51.45 H new ATOM 0 HD13 ILE A 27 2.372 4.304 0.487 1.00 51.45 H new ATOM 419 N ARG A 28 4.718 -1.091 2.429 1.00 24.21 N ATOM 420 CA ARG A 28 4.444 -2.523 2.623 1.00 53.21 C ATOM 421 C ARG A 28 3.129 -2.774 3.386 1.00 33.53 C ATOM 422 O ARG A 28 2.971 -2.371 4.542 1.00 41.14 O ATOM 423 CB ARG A 28 5.635 -3.170 3.345 1.00 51.14 C ATOM 424 CG ARG A 28 5.560 -4.691 3.448 1.00 22.15 C ATOM 425 CD ARG A 28 6.911 -5.288 3.841 1.00 13.22 C ATOM 426 NE ARG A 28 6.855 -6.742 3.991 1.00 52.21 N ATOM 427 CZ ARG A 28 7.336 -7.596 3.124 1.00 75.01 C ATOM 428 NH1 ARG A 28 7.790 -7.193 1.979 1.00 43.40 N ATOM 429 NH2 ARG A 28 7.317 -8.861 3.390 1.00 33.33 N ATOM 0 H ARG A 28 5.148 -0.630 3.231 1.00 24.21 H new ATOM 0 HA ARG A 28 4.316 -2.981 1.642 1.00 53.21 H new ATOM 0 HB2 ARG A 28 6.552 -2.898 2.822 1.00 51.14 H new ATOM 0 HB3 ARG A 28 5.705 -2.753 4.350 1.00 51.14 H new ATOM 0 HG2 ARG A 28 4.808 -4.971 4.185 1.00 22.15 H new ATOM 0 HG3 ARG A 28 5.240 -5.107 2.493 1.00 22.15 H new ATOM 0 HD2 ARG A 28 7.652 -5.032 3.084 1.00 13.22 H new ATOM 0 HD3 ARG A 28 7.244 -4.841 4.778 1.00 13.22 H new ATOM 0 HE ARG A 28 6.410 -7.116 4.829 1.00 52.21 H new ATOM 0 HH11 ARG A 28 7.775 -6.200 1.745 1.00 43.40 H new ATOM 0 HH12 ARG A 28 8.162 -7.869 1.312 1.00 43.40 H new ATOM 0 HH21 ARG A 28 6.928 -9.191 4.273 1.00 33.33 H new ATOM 0 HH22 ARG A 28 7.691 -9.529 2.716 1.00 33.33 H new ATOM 443 N LEU A 29 2.184 -3.441 2.720 1.00 34.41 N ATOM 444 CA LEU A 29 0.885 -3.780 3.315 1.00 33.20 C ATOM 445 C LEU A 29 0.868 -5.228 3.849 1.00 42.32 C ATOM 446 O LEU A 29 1.893 -5.906 3.873 1.00 63.12 O ATOM 447 CB LEU A 29 -0.245 -3.593 2.282 1.00 15.54 C ATOM 448 CG LEU A 29 -0.550 -2.140 1.861 1.00 3.12 C ATOM 449 CD1 LEU A 29 0.618 -1.518 1.096 1.00 61.20 C ATOM 450 CD2 LEU A 29 -1.833 -2.082 1.030 1.00 22.00 C ATOM 0 H LEU A 29 2.294 -3.761 1.758 1.00 34.41 H new ATOM 0 HA LEU A 29 0.723 -3.105 4.155 1.00 33.20 H new ATOM 0 HB2 LEU A 29 0.010 -4.162 1.388 1.00 15.54 H new ATOM 0 HB3 LEU A 29 -1.157 -4.030 2.689 1.00 15.54 H new ATOM 0 HG LEU A 29 -0.695 -1.555 2.769 1.00 3.12 H new ATOM 0 HD11 LEU A 29 0.366 -0.495 0.816 1.00 61.20 H new ATOM 0 HD12 LEU A 29 1.506 -1.513 1.728 1.00 61.20 H new ATOM 0 HD13 LEU A 29 0.816 -2.102 0.197 1.00 61.20 H new ATOM 0 HD21 LEU A 29 -2.033 -1.050 0.741 1.00 22.00 H new ATOM 0 HD22 LEU A 29 -1.715 -2.693 0.135 1.00 22.00 H new ATOM 0 HD23 LEU A 29 -2.667 -2.462 1.621 1.00 22.00 H new ATOM 462 N LYS A 30 -0.307 -5.693 4.274 1.00 3.10 N ATOM 463 CA LYS A 30 -0.465 -7.049 4.818 1.00 4.13 C ATOM 464 C LYS A 30 -1.922 -7.532 4.728 1.00 34.45 C ATOM 465 O LYS A 30 -2.858 -6.770 4.973 1.00 72.24 O ATOM 466 CB LYS A 30 -0.020 -7.093 6.293 1.00 52.10 C ATOM 467 CG LYS A 30 -0.238 -8.453 6.963 1.00 4.31 C ATOM 468 CD LYS A 30 -0.061 -8.390 8.481 1.00 44.31 C ATOM 469 CE LYS A 30 1.371 -8.066 8.885 1.00 20.22 C ATOM 470 NZ LYS A 30 2.318 -9.151 8.510 1.00 31.22 N ATOM 0 H LYS A 30 -1.170 -5.150 4.253 1.00 3.10 H new ATOM 0 HA LYS A 30 0.162 -7.708 4.218 1.00 4.13 H new ATOM 0 HB2 LYS A 30 1.037 -6.835 6.352 1.00 52.10 H new ATOM 0 HB3 LYS A 30 -0.566 -6.332 6.851 1.00 52.10 H new ATOM 0 HG2 LYS A 30 -1.241 -8.813 6.731 1.00 4.31 H new ATOM 0 HG3 LYS A 30 0.464 -9.176 6.548 1.00 4.31 H new ATOM 0 HD2 LYS A 30 -0.731 -7.635 8.891 1.00 44.31 H new ATOM 0 HD3 LYS A 30 -0.352 -9.345 8.918 1.00 44.31 H new ATOM 0 HE2 LYS A 30 1.680 -7.135 8.409 1.00 20.22 H new ATOM 0 HE3 LYS A 30 1.415 -7.903 9.962 1.00 20.22 H new ATOM 0 HZ1 LYS A 30 3.175 -8.735 8.093 1.00 31.22 H new ATOM 0 HZ2 LYS A 30 2.575 -9.696 9.358 1.00 31.22 H new ATOM 0 HZ3 LYS A 30 1.867 -9.781 7.817 1.00 31.22 H new ATOM 484 N ASN A 31 -2.105 -8.803 4.373 1.00 10.11 N ATOM 485 CA ASN A 31 -3.415 -9.454 4.482 1.00 50.13 C ATOM 486 C ASN A 31 -3.449 -10.379 5.709 1.00 71.54 C ATOM 487 O ASN A 31 -2.929 -11.494 5.672 1.00 61.54 O ATOM 488 CB ASN A 31 -3.737 -10.254 3.211 1.00 54.12 C ATOM 489 CG ASN A 31 -5.023 -11.054 3.340 1.00 3.23 C ATOM 490 OD1 ASN A 31 -5.924 -10.699 4.093 1.00 31.32 O ATOM 491 ND2 ASN A 31 -5.129 -12.137 2.599 1.00 53.22 N ATOM 0 H ASN A 31 -1.366 -9.404 4.008 1.00 10.11 H new ATOM 0 HA ASN A 31 -4.171 -8.678 4.600 1.00 50.13 H new ATOM 0 HB2 ASN A 31 -3.821 -9.570 2.366 1.00 54.12 H new ATOM 0 HB3 ASN A 31 -2.911 -10.931 2.992 1.00 54.12 H new ATOM 0 HD21 ASN A 31 -5.976 -12.704 2.643 1.00 53.22 H new ATOM 0 HD22 ASN A 31 -4.364 -12.409 1.981 1.00 53.22 H new ATOM 498 N THR A 32 -4.048 -9.904 6.797 1.00 10.20 N ATOM 499 CA THR A 32 -4.137 -10.692 8.034 1.00 44.30 C ATOM 500 C THR A 32 -5.533 -11.304 8.206 1.00 71.11 C ATOM 501 O THR A 32 -6.474 -10.643 8.650 1.00 51.20 O ATOM 502 CB THR A 32 -3.768 -9.853 9.285 1.00 1.33 C ATOM 503 OG1 THR A 32 -3.960 -10.632 10.476 1.00 34.44 O ATOM 504 CG2 THR A 32 -4.582 -8.562 9.365 1.00 12.34 C ATOM 0 H THR A 32 -4.479 -8.981 6.853 1.00 10.20 H new ATOM 0 HA THR A 32 -3.410 -11.499 7.943 1.00 44.30 H new ATOM 0 HB THR A 32 -2.717 -9.576 9.198 1.00 1.33 H new ATOM 0 HG1 THR A 32 -3.723 -10.094 11.260 1.00 34.44 H new ATOM 0 HG21 THR A 32 -4.293 -8.004 10.256 1.00 12.34 H new ATOM 0 HG22 THR A 32 -4.391 -7.956 8.479 1.00 12.34 H new ATOM 0 HG23 THR A 32 -5.644 -8.804 9.417 1.00 12.34 H new ATOM 512 N SER A 33 -5.660 -12.576 7.841 1.00 12.14 N ATOM 513 CA SER A 33 -6.952 -13.269 7.887 1.00 73.32 C ATOM 514 C SER A 33 -6.786 -14.781 7.738 1.00 70.42 C ATOM 515 O SER A 33 -5.671 -15.295 7.622 1.00 72.03 O ATOM 516 CB SER A 33 -7.871 -12.765 6.767 1.00 1.02 C ATOM 517 OG SER A 33 -7.318 -13.039 5.490 1.00 61.33 O ATOM 0 H SER A 33 -4.886 -13.152 7.509 1.00 12.14 H new ATOM 0 HA SER A 33 -7.394 -13.056 8.860 1.00 73.32 H new ATOM 0 HB2 SER A 33 -8.848 -13.240 6.853 1.00 1.02 H new ATOM 0 HB3 SER A 33 -8.028 -11.692 6.876 1.00 1.02 H new ATOM 0 HG SER A 33 -7.981 -13.505 4.939 1.00 61.33 H new ATOM 523 N GLU A 34 -7.908 -15.491 7.736 1.00 44.23 N ATOM 524 CA GLU A 34 -7.916 -16.937 7.515 1.00 70.35 C ATOM 525 C GLU A 34 -8.529 -17.266 6.144 1.00 35.33 C ATOM 526 O GLU A 34 -8.748 -18.431 5.810 1.00 4.04 O ATOM 527 CB GLU A 34 -8.705 -17.628 8.635 1.00 33.22 C ATOM 528 CG GLU A 34 -8.249 -17.218 10.034 1.00 41.11 C ATOM 529 CD GLU A 34 -9.074 -17.845 11.147 1.00 1.44 C ATOM 530 OE1 GLU A 34 -10.293 -18.041 10.958 1.00 14.10 O ATOM 531 OE2 GLU A 34 -8.507 -18.142 12.221 1.00 74.32 O ATOM 0 H GLU A 34 -8.833 -15.087 7.886 1.00 44.23 H new ATOM 0 HA GLU A 34 -6.890 -17.304 7.527 1.00 70.35 H new ATOM 0 HB2 GLU A 34 -9.764 -17.395 8.522 1.00 33.22 H new ATOM 0 HB3 GLU A 34 -8.604 -18.708 8.529 1.00 33.22 H new ATOM 0 HG2 GLU A 34 -7.204 -17.499 10.164 1.00 41.11 H new ATOM 0 HG3 GLU A 34 -8.300 -16.133 10.121 1.00 41.11 H new ATOM 538 N GLN A 35 -8.799 -16.222 5.357 1.00 31.23 N ATOM 539 CA GLN A 35 -9.389 -16.369 4.023 1.00 11.50 C ATOM 540 C GLN A 35 -8.667 -15.471 3.004 1.00 44.44 C ATOM 541 O GLN A 35 -8.398 -14.298 3.269 1.00 34.24 O ATOM 542 CB GLN A 35 -10.888 -16.034 4.066 1.00 31.51 C ATOM 543 CG GLN A 35 -11.593 -16.165 2.719 1.00 30.34 C ATOM 544 CD GLN A 35 -13.094 -15.935 2.811 1.00 74.55 C ATOM 545 OE1 GLN A 35 -13.577 -15.190 3.656 1.00 34.35 O ATOM 546 NE2 GLN A 35 -13.846 -16.575 1.941 1.00 4.20 N ATOM 0 H GLN A 35 -8.616 -15.255 5.624 1.00 31.23 H new ATOM 0 HA GLN A 35 -9.270 -17.405 3.707 1.00 11.50 H new ATOM 0 HB2 GLN A 35 -11.376 -16.692 4.785 1.00 31.51 H new ATOM 0 HB3 GLN A 35 -11.011 -15.014 4.431 1.00 31.51 H new ATOM 0 HG2 GLN A 35 -11.163 -15.449 2.019 1.00 30.34 H new ATOM 0 HG3 GLN A 35 -11.407 -17.159 2.313 1.00 30.34 H new ATOM 0 HE21 GLN A 35 -13.416 -17.189 1.249 1.00 4.20 H new ATOM 0 HE22 GLN A 35 -14.859 -16.457 1.959 1.00 4.20 H new ATOM 555 N ASP A 36 -8.365 -16.027 1.837 1.00 4.14 N ATOM 556 CA ASP A 36 -7.584 -15.323 0.816 1.00 43.31 C ATOM 557 C ASP A 36 -8.365 -14.142 0.210 1.00 53.11 C ATOM 558 O ASP A 36 -9.543 -14.269 -0.134 1.00 25.03 O ATOM 559 CB ASP A 36 -7.171 -16.315 -0.275 1.00 31.43 C ATOM 560 CG ASP A 36 -6.562 -17.573 0.318 1.00 50.43 C ATOM 561 OD1 ASP A 36 -5.429 -17.502 0.839 1.00 61.13 O ATOM 562 OD2 ASP A 36 -7.216 -18.639 0.273 1.00 3.54 O ATOM 0 H ASP A 36 -8.649 -16.969 1.569 1.00 4.14 H new ATOM 0 HA ASP A 36 -6.695 -14.906 1.289 1.00 43.31 H new ATOM 0 HB2 ASP A 36 -8.041 -16.579 -0.876 1.00 31.43 H new ATOM 0 HB3 ASP A 36 -6.452 -15.842 -0.945 1.00 31.43 H new ATOM 567 N GLN A 37 -7.699 -12.992 0.085 1.00 42.25 N ATOM 568 CA GLN A 37 -8.324 -11.783 -0.463 1.00 72.44 C ATOM 569 C GLN A 37 -8.168 -11.720 -1.995 1.00 70.41 C ATOM 570 O GLN A 37 -7.058 -11.554 -2.507 1.00 63.22 O ATOM 571 CB GLN A 37 -7.696 -10.527 0.165 1.00 71.43 C ATOM 572 CG GLN A 37 -7.859 -10.421 1.680 1.00 2.23 C ATOM 573 CD GLN A 37 -9.281 -10.105 2.119 1.00 42.11 C ATOM 574 OE1 GLN A 37 -9.660 -8.946 2.244 1.00 4.40 O ATOM 575 NE2 GLN A 37 -10.071 -11.126 2.376 1.00 70.53 N ATOM 0 H GLN A 37 -6.723 -12.871 0.357 1.00 42.25 H new ATOM 0 HA GLN A 37 -9.386 -11.821 -0.222 1.00 72.44 H new ATOM 0 HB2 GLN A 37 -6.633 -10.511 -0.074 1.00 71.43 H new ATOM 0 HB3 GLN A 37 -8.140 -9.645 -0.297 1.00 71.43 H new ATOM 0 HG2 GLN A 37 -7.547 -11.360 2.137 1.00 2.23 H new ATOM 0 HG3 GLN A 37 -7.191 -9.646 2.056 1.00 2.23 H new ATOM 0 HE21 GLN A 37 -9.726 -12.079 2.262 1.00 70.53 H new ATOM 0 HE22 GLN A 37 -11.028 -10.964 2.689 1.00 70.53 H new ATOM 584 N PRO A 38 -9.277 -11.837 -2.753 1.00 23.22 N ATOM 585 CA PRO A 38 -9.249 -11.763 -4.225 1.00 32.44 C ATOM 586 C PRO A 38 -9.093 -10.324 -4.756 1.00 3.51 C ATOM 587 O PRO A 38 -9.283 -10.075 -5.947 1.00 2.02 O ATOM 588 CB PRO A 38 -10.617 -12.350 -4.645 1.00 23.44 C ATOM 589 CG PRO A 38 -11.262 -12.845 -3.384 1.00 4.32 C ATOM 590 CD PRO A 38 -10.641 -12.065 -2.260 1.00 24.40 C ATOM 0 HA PRO A 38 -8.393 -12.300 -4.633 1.00 32.44 H new ATOM 0 HB2 PRO A 38 -11.235 -11.592 -5.127 1.00 23.44 H new ATOM 0 HB3 PRO A 38 -10.490 -13.161 -5.362 1.00 23.44 H new ATOM 0 HG2 PRO A 38 -12.341 -12.693 -3.413 1.00 4.32 H new ATOM 0 HG3 PRO A 38 -11.094 -13.914 -3.255 1.00 4.32 H new ATOM 0 HD2 PRO A 38 -11.168 -11.129 -2.075 1.00 24.40 H new ATOM 0 HD3 PRO A 38 -10.647 -12.625 -1.325 1.00 24.40 H new ATOM 598 N MET A 39 -8.748 -9.390 -3.860 1.00 14.23 N ATOM 599 CA MET A 39 -8.587 -7.967 -4.203 1.00 5.44 C ATOM 600 C MET A 39 -9.916 -7.337 -4.663 1.00 61.44 C ATOM 601 O MET A 39 -10.539 -6.566 -3.928 1.00 71.43 O ATOM 602 CB MET A 39 -7.500 -7.780 -5.278 1.00 43.42 C ATOM 603 CG MET A 39 -7.238 -6.325 -5.647 1.00 75.54 C ATOM 604 SD MET A 39 -6.704 -5.330 -4.240 1.00 14.50 S ATOM 605 CE MET A 39 -5.160 -6.132 -3.804 1.00 42.11 C ATOM 0 H MET A 39 -8.572 -9.597 -2.877 1.00 14.23 H new ATOM 0 HA MET A 39 -8.271 -7.450 -3.297 1.00 5.44 H new ATOM 0 HB2 MET A 39 -6.571 -8.227 -4.923 1.00 43.42 H new ATOM 0 HB3 MET A 39 -7.793 -8.325 -6.175 1.00 43.42 H new ATOM 0 HG2 MET A 39 -6.475 -6.284 -6.425 1.00 75.54 H new ATOM 0 HG3 MET A 39 -8.146 -5.893 -6.068 1.00 75.54 H new ATOM 0 HE1 MET A 39 -4.581 -5.477 -3.154 1.00 42.11 H new ATOM 0 HE2 MET A 39 -5.370 -7.067 -3.284 1.00 42.11 H new ATOM 0 HE3 MET A 39 -4.590 -6.341 -4.709 1.00 42.11 H new ATOM 615 N GLY A 40 -10.354 -7.678 -5.872 1.00 42.02 N ATOM 616 CA GLY A 40 -11.597 -7.135 -6.404 1.00 73.05 C ATOM 617 C GLY A 40 -11.460 -5.694 -6.886 1.00 11.22 C ATOM 618 O GLY A 40 -11.392 -5.434 -8.091 1.00 14.32 O ATOM 0 H GLY A 40 -9.870 -8.323 -6.496 1.00 42.02 H new ATOM 0 HA2 GLY A 40 -11.935 -7.759 -7.232 1.00 73.05 H new ATOM 0 HA3 GLY A 40 -12.367 -7.183 -5.634 1.00 73.05 H new ATOM 622 N GLY A 41 -11.403 -4.755 -5.944 1.00 35.50 N ATOM 623 CA GLY A 41 -11.302 -3.345 -6.299 1.00 74.32 C ATOM 624 C GLY A 41 -10.950 -2.446 -5.117 1.00 23.53 C ATOM 625 O GLY A 41 -11.830 -2.010 -4.376 1.00 21.22 O ATOM 0 H GLY A 41 -11.425 -4.943 -4.942 1.00 35.50 H new ATOM 0 HA2 GLY A 41 -10.545 -3.226 -7.074 1.00 74.32 H new ATOM 0 HA3 GLY A 41 -12.250 -3.017 -6.726 1.00 74.32 H new ATOM 629 N TRP A 42 -9.656 -2.178 -4.941 1.00 42.23 N ATOM 630 CA TRP A 42 -9.170 -1.252 -3.904 1.00 32.55 C ATOM 631 C TRP A 42 -8.478 -0.038 -4.541 1.00 2.42 C ATOM 632 O TRP A 42 -8.174 -0.044 -5.735 1.00 63.15 O ATOM 633 CB TRP A 42 -8.190 -1.966 -2.959 1.00 13.32 C ATOM 634 CG TRP A 42 -8.836 -2.975 -2.052 1.00 54.12 C ATOM 635 CD1 TRP A 42 -9.428 -4.148 -2.415 1.00 71.34 C ATOM 636 CD2 TRP A 42 -8.939 -2.899 -0.625 1.00 55.41 C ATOM 637 NE1 TRP A 42 -9.898 -4.804 -1.305 1.00 3.54 N ATOM 638 CE2 TRP A 42 -9.608 -4.058 -0.192 1.00 40.22 C ATOM 639 CE3 TRP A 42 -8.528 -1.963 0.327 1.00 72.21 C ATOM 640 CZ2 TRP A 42 -9.875 -4.308 1.152 1.00 15.01 C ATOM 641 CZ3 TRP A 42 -8.794 -2.207 1.660 1.00 24.51 C ATOM 642 CH2 TRP A 42 -9.460 -3.372 2.064 1.00 61.15 C ATOM 0 H TRP A 42 -8.915 -2.591 -5.507 1.00 42.23 H new ATOM 0 HA TRP A 42 -10.031 -0.908 -3.331 1.00 32.55 H new ATOM 0 HB2 TRP A 42 -7.426 -2.466 -3.555 1.00 13.32 H new ATOM 0 HB3 TRP A 42 -7.681 -1.219 -2.350 1.00 13.32 H new ATOM 0 HD1 TRP A 42 -9.515 -4.509 -3.429 1.00 71.34 H new ATOM 0 HE1 TRP A 42 -10.384 -5.701 -1.308 1.00 3.54 H new ATOM 0 HE3 TRP A 42 -8.011 -1.064 0.026 1.00 72.21 H new ATOM 0 HZ2 TRP A 42 -10.389 -5.205 1.464 1.00 15.01 H new ATOM 0 HZ3 TRP A 42 -8.484 -1.488 2.404 1.00 24.51 H new ATOM 0 HH2 TRP A 42 -9.650 -3.536 3.114 1.00 61.15 H new ATOM 653 N GLU A 43 -8.217 0.992 -3.740 1.00 74.22 N ATOM 654 CA GLU A 43 -7.519 2.189 -4.219 1.00 0.44 C ATOM 655 C GLU A 43 -6.597 2.772 -3.133 1.00 64.10 C ATOM 656 O GLU A 43 -6.995 2.934 -1.978 1.00 34.30 O ATOM 657 CB GLU A 43 -8.522 3.255 -4.691 1.00 54.22 C ATOM 658 CG GLU A 43 -7.863 4.477 -5.330 1.00 52.23 C ATOM 659 CD GLU A 43 -8.866 5.485 -5.866 1.00 64.21 C ATOM 660 OE1 GLU A 43 -9.284 5.353 -7.036 1.00 50.20 O ATOM 661 OE2 GLU A 43 -9.233 6.425 -5.128 1.00 42.22 O ATOM 0 H GLU A 43 -8.478 1.025 -2.754 1.00 74.22 H new ATOM 0 HA GLU A 43 -6.901 1.891 -5.066 1.00 0.44 H new ATOM 0 HB2 GLU A 43 -9.206 2.805 -5.410 1.00 54.22 H new ATOM 0 HB3 GLU A 43 -9.121 3.579 -3.840 1.00 54.22 H new ATOM 0 HG2 GLU A 43 -7.225 4.965 -4.593 1.00 52.23 H new ATOM 0 HG3 GLU A 43 -7.216 4.149 -6.144 1.00 52.23 H new ATOM 668 N MET A 44 -5.362 3.074 -3.522 1.00 23.43 N ATOM 669 CA MET A 44 -4.357 3.631 -2.610 1.00 3.10 C ATOM 670 C MET A 44 -4.162 5.139 -2.842 1.00 4.23 C ATOM 671 O MET A 44 -3.582 5.550 -3.849 1.00 23.20 O ATOM 672 CB MET A 44 -3.025 2.900 -2.810 1.00 4.33 C ATOM 673 CG MET A 44 -1.900 3.395 -1.913 1.00 60.35 C ATOM 674 SD MET A 44 -0.342 2.537 -2.220 1.00 33.43 S ATOM 675 CE MET A 44 -0.039 2.968 -3.934 1.00 53.34 C ATOM 0 H MET A 44 -5.026 2.941 -4.476 1.00 23.43 H new ATOM 0 HA MET A 44 -4.709 3.491 -1.588 1.00 3.10 H new ATOM 0 HB2 MET A 44 -3.177 1.836 -2.629 1.00 4.33 H new ATOM 0 HB3 MET A 44 -2.718 3.006 -3.851 1.00 4.33 H new ATOM 0 HG2 MET A 44 -1.759 4.464 -2.069 1.00 60.35 H new ATOM 0 HG3 MET A 44 -2.186 3.260 -0.870 1.00 60.35 H new ATOM 0 HE1 MET A 44 -0.254 2.108 -4.569 1.00 53.34 H new ATOM 0 HE2 MET A 44 -0.683 3.800 -4.219 1.00 53.34 H new ATOM 0 HE3 MET A 44 1.004 3.259 -4.057 1.00 53.34 H new ATOM 685 N ILE A 45 -4.648 5.956 -1.910 1.00 71.34 N ATOM 686 CA ILE A 45 -4.508 7.414 -2.003 1.00 52.10 C ATOM 687 C ILE A 45 -3.276 7.898 -1.214 1.00 14.20 C ATOM 688 O ILE A 45 -3.318 8.014 0.010 1.00 3.25 O ATOM 689 CB ILE A 45 -5.771 8.161 -1.474 1.00 2.20 C ATOM 690 CG1 ILE A 45 -7.039 7.751 -2.253 1.00 44.03 C ATOM 691 CG2 ILE A 45 -5.569 9.680 -1.554 1.00 14.42 C ATOM 692 CD1 ILE A 45 -7.534 6.347 -1.962 1.00 50.01 C ATOM 0 H ILE A 45 -5.144 5.635 -1.078 1.00 71.34 H new ATOM 0 HA ILE A 45 -4.386 7.646 -3.061 1.00 52.10 H new ATOM 0 HB ILE A 45 -5.911 7.875 -0.431 1.00 2.20 H new ATOM 0 HG12 ILE A 45 -7.836 8.458 -2.022 1.00 44.03 H new ATOM 0 HG13 ILE A 45 -6.837 7.837 -3.321 1.00 44.03 H new ATOM 0 HG21 ILE A 45 -6.460 10.186 -1.181 1.00 14.42 H new ATOM 0 HG22 ILE A 45 -4.709 9.965 -0.948 1.00 14.42 H new ATOM 0 HG23 ILE A 45 -5.394 9.970 -2.590 1.00 14.42 H new ATOM 0 HD11 ILE A 45 -8.428 6.146 -2.553 1.00 50.01 H new ATOM 0 HD12 ILE A 45 -6.758 5.627 -2.221 1.00 50.01 H new ATOM 0 HD13 ILE A 45 -7.773 6.258 -0.902 1.00 50.01 H new ATOM 704 N ARG A 46 -2.173 8.157 -1.912 1.00 52.24 N ATOM 705 CA ARG A 46 -0.953 8.653 -1.266 1.00 73.11 C ATOM 706 C ARG A 46 -0.982 10.184 -1.130 1.00 32.33 C ATOM 707 O ARG A 46 -0.762 10.909 -2.105 1.00 51.01 O ATOM 708 CB ARG A 46 0.294 8.232 -2.058 1.00 20.35 C ATOM 709 CG ARG A 46 1.608 8.715 -1.436 1.00 33.12 C ATOM 710 CD ARG A 46 2.815 8.433 -2.326 1.00 52.21 C ATOM 711 NE ARG A 46 4.053 8.931 -1.727 1.00 51.12 N ATOM 712 CZ ARG A 46 4.889 9.743 -2.322 1.00 25.20 C ATOM 713 NH1 ARG A 46 4.686 10.138 -3.536 1.00 21.25 N ATOM 714 NH2 ARG A 46 5.940 10.155 -1.699 1.00 64.22 N ATOM 0 H ARG A 46 -2.095 8.033 -2.921 1.00 52.24 H new ATOM 0 HA ARG A 46 -0.909 8.212 -0.270 1.00 73.11 H new ATOM 0 HB2 ARG A 46 0.316 7.145 -2.134 1.00 20.35 H new ATOM 0 HB3 ARG A 46 0.218 8.621 -3.073 1.00 20.35 H new ATOM 0 HG2 ARG A 46 1.544 9.786 -1.245 1.00 33.12 H new ATOM 0 HG3 ARG A 46 1.750 8.228 -0.471 1.00 33.12 H new ATOM 0 HD2 ARG A 46 2.899 7.360 -2.497 1.00 52.21 H new ATOM 0 HD3 ARG A 46 2.667 8.900 -3.300 1.00 52.21 H new ATOM 0 HE ARG A 46 4.280 8.624 -0.781 1.00 51.12 H new ATOM 0 HH11 ARG A 46 3.863 9.817 -4.046 1.00 21.25 H new ATOM 0 HH12 ARG A 46 5.349 10.771 -3.984 1.00 21.25 H new ATOM 0 HH21 ARG A 46 6.119 9.848 -0.743 1.00 64.22 H new ATOM 0 HH22 ARG A 46 6.592 10.788 -2.162 1.00 64.22 H new ATOM 728 N LYS A 47 -1.264 10.666 0.077 1.00 34.25 N ATOM 729 CA LYS A 47 -1.261 12.106 0.363 1.00 1.15 C ATOM 730 C LYS A 47 0.073 12.543 0.984 1.00 74.32 C ATOM 731 O LYS A 47 0.433 12.099 2.078 1.00 53.23 O ATOM 732 CB LYS A 47 -2.411 12.466 1.313 1.00 11.54 C ATOM 733 CG LYS A 47 -3.801 12.231 0.729 1.00 22.00 C ATOM 734 CD LYS A 47 -4.901 12.672 1.691 1.00 41.11 C ATOM 735 CE LYS A 47 -4.739 14.133 2.099 1.00 14.21 C ATOM 736 NZ LYS A 47 -5.844 14.583 2.981 1.00 72.12 N ATOM 0 H LYS A 47 -1.499 10.081 0.879 1.00 34.25 H new ATOM 0 HA LYS A 47 -1.395 12.632 -0.582 1.00 1.15 H new ATOM 0 HB2 LYS A 47 -2.309 11.881 2.227 1.00 11.54 H new ATOM 0 HB3 LYS A 47 -2.320 13.515 1.595 1.00 11.54 H new ATOM 0 HG2 LYS A 47 -3.898 12.777 -0.209 1.00 22.00 H new ATOM 0 HG3 LYS A 47 -3.924 11.173 0.497 1.00 22.00 H new ATOM 0 HD2 LYS A 47 -5.874 12.531 1.221 1.00 41.11 H new ATOM 0 HD3 LYS A 47 -4.882 12.041 2.580 1.00 41.11 H new ATOM 0 HE2 LYS A 47 -3.787 14.264 2.613 1.00 14.21 H new ATOM 0 HE3 LYS A 47 -4.708 14.759 1.207 1.00 14.21 H new ATOM 0 HZ1 LYS A 47 -5.699 15.580 3.237 1.00 72.12 H new ATOM 0 HZ2 LYS A 47 -6.750 14.482 2.481 1.00 72.12 H new ATOM 0 HZ3 LYS A 47 -5.858 14.002 3.844 1.00 72.12 H new ATOM 750 N ILE A 48 0.799 13.424 0.300 1.00 31.50 N ATOM 751 CA ILE A 48 2.094 13.899 0.797 1.00 61.22 C ATOM 752 C ILE A 48 2.401 15.332 0.330 1.00 42.34 C ATOM 753 O ILE A 48 2.410 15.624 -0.868 1.00 21.22 O ATOM 754 CB ILE A 48 3.245 12.947 0.366 1.00 44.21 C ATOM 755 CG1 ILE A 48 4.600 13.474 0.874 1.00 22.24 C ATOM 756 CG2 ILE A 48 3.261 12.759 -1.152 1.00 52.43 C ATOM 757 CD1 ILE A 48 5.775 12.580 0.528 1.00 73.13 C ATOM 0 H ILE A 48 0.517 13.823 -0.595 1.00 31.50 H new ATOM 0 HA ILE A 48 2.027 13.905 1.885 1.00 61.22 H new ATOM 0 HB ILE A 48 3.069 11.971 0.818 1.00 44.21 H new ATOM 0 HG12 ILE A 48 4.774 14.465 0.454 1.00 22.24 H new ATOM 0 HG13 ILE A 48 4.551 13.590 1.957 1.00 22.24 H new ATOM 0 HG21 ILE A 48 4.075 12.089 -1.427 1.00 52.43 H new ATOM 0 HG22 ILE A 48 2.313 12.330 -1.475 1.00 52.43 H new ATOM 0 HG23 ILE A 48 3.406 13.724 -1.637 1.00 52.43 H new ATOM 0 HD11 ILE A 48 6.693 13.018 0.919 1.00 73.13 H new ATOM 0 HD12 ILE A 48 5.626 11.595 0.970 1.00 73.13 H new ATOM 0 HD13 ILE A 48 5.852 12.483 -0.555 1.00 73.13 H new ATOM 769 N GLY A 49 2.626 16.225 1.294 1.00 31.23 N ATOM 770 CA GLY A 49 3.019 17.595 0.981 1.00 13.21 C ATOM 771 C GLY A 49 2.001 18.352 0.129 1.00 33.33 C ATOM 772 O GLY A 49 0.904 18.682 0.589 1.00 30.20 O ATOM 0 H GLY A 49 2.543 16.025 2.291 1.00 31.23 H new ATOM 0 HA2 GLY A 49 3.175 18.140 1.912 1.00 13.21 H new ATOM 0 HA3 GLY A 49 3.975 17.578 0.458 1.00 13.21 H new ATOM 776 N ASP A 50 2.363 18.619 -1.123 1.00 60.55 N ATOM 777 CA ASP A 50 1.536 19.429 -2.023 1.00 13.51 C ATOM 778 C ASP A 50 0.948 18.593 -3.173 1.00 35.31 C ATOM 779 O ASP A 50 0.663 19.118 -4.251 1.00 32.32 O ATOM 780 CB ASP A 50 2.382 20.580 -2.576 1.00 11.42 C ATOM 781 CG ASP A 50 2.870 21.513 -1.479 1.00 53.32 C ATOM 782 OD1 ASP A 50 3.686 21.079 -0.641 1.00 71.04 O ATOM 783 OD2 ASP A 50 2.430 22.682 -1.446 1.00 71.35 O ATOM 0 H ASP A 50 3.230 18.285 -1.543 1.00 60.55 H new ATOM 0 HA ASP A 50 0.694 19.824 -1.455 1.00 13.51 H new ATOM 0 HB2 ASP A 50 3.239 20.173 -3.113 1.00 11.42 H new ATOM 0 HB3 ASP A 50 1.794 21.147 -3.298 1.00 11.42 H new ATOM 788 N THR A 51 0.757 17.294 -2.936 1.00 53.04 N ATOM 789 CA THR A 51 0.150 16.407 -3.941 1.00 33.51 C ATOM 790 C THR A 51 -0.551 15.203 -3.297 1.00 11.00 C ATOM 791 O THR A 51 -0.320 14.877 -2.127 1.00 51.42 O ATOM 792 CB THR A 51 1.200 15.895 -4.958 1.00 55.25 C ATOM 793 OG1 THR A 51 0.571 15.056 -5.942 1.00 22.33 O ATOM 794 CG2 THR A 51 2.314 15.117 -4.264 1.00 50.32 C ATOM 0 H THR A 51 1.011 16.831 -2.063 1.00 53.04 H new ATOM 0 HA THR A 51 -0.594 17.008 -4.464 1.00 33.51 H new ATOM 0 HB THR A 51 1.639 16.765 -5.445 1.00 55.25 H new ATOM 0 HG1 THR A 51 1.244 14.740 -6.580 1.00 22.33 H new ATOM 0 HG21 THR A 51 3.034 14.772 -5.006 1.00 50.32 H new ATOM 0 HG22 THR A 51 2.816 15.764 -3.545 1.00 50.32 H new ATOM 0 HG23 THR A 51 1.889 14.258 -3.744 1.00 50.32 H new ATOM 802 N SER A 52 -1.423 14.555 -4.066 1.00 11.43 N ATOM 803 CA SER A 52 -2.122 13.342 -3.617 1.00 50.44 C ATOM 804 C SER A 52 -2.515 12.481 -4.822 1.00 13.11 C ATOM 805 O SER A 52 -3.340 12.881 -5.644 1.00 31.31 O ATOM 806 CB SER A 52 -3.373 13.689 -2.791 1.00 10.45 C ATOM 807 OG SER A 52 -4.365 14.329 -3.580 1.00 13.32 O ATOM 0 H SER A 52 -1.667 14.849 -5.012 1.00 11.43 H new ATOM 0 HA SER A 52 -1.439 12.780 -2.979 1.00 50.44 H new ATOM 0 HB2 SER A 52 -3.786 12.779 -2.357 1.00 10.45 H new ATOM 0 HB3 SER A 52 -3.093 14.339 -1.962 1.00 10.45 H new ATOM 0 HG SER A 52 -4.276 14.043 -4.513 1.00 13.32 H new ATOM 813 N VAL A 53 -1.919 11.301 -4.928 1.00 3.04 N ATOM 814 CA VAL A 53 -2.143 10.417 -6.079 1.00 54.10 C ATOM 815 C VAL A 53 -2.881 9.125 -5.674 1.00 32.21 C ATOM 816 O VAL A 53 -2.544 8.490 -4.673 1.00 34.55 O ATOM 817 CB VAL A 53 -0.798 10.072 -6.776 1.00 15.21 C ATOM 818 CG1 VAL A 53 0.217 9.545 -5.765 1.00 24.34 C ATOM 819 CG2 VAL A 53 -1.008 9.071 -7.918 1.00 65.13 C ATOM 0 H VAL A 53 -1.274 10.927 -4.232 1.00 3.04 H new ATOM 0 HA VAL A 53 -2.778 10.956 -6.782 1.00 54.10 H new ATOM 0 HB VAL A 53 -0.399 10.989 -7.209 1.00 15.21 H new ATOM 0 HG11 VAL A 53 1.151 9.310 -6.276 1.00 24.34 H new ATOM 0 HG12 VAL A 53 0.400 10.304 -5.004 1.00 24.34 H new ATOM 0 HG13 VAL A 53 -0.174 8.644 -5.292 1.00 24.34 H new ATOM 0 HG21 VAL A 53 -0.050 8.848 -8.387 1.00 65.13 H new ATOM 0 HG22 VAL A 53 -1.440 8.152 -7.522 1.00 65.13 H new ATOM 0 HG23 VAL A 53 -1.684 9.500 -8.658 1.00 65.13 H new ATOM 829 N SER A 54 -3.887 8.744 -6.468 1.00 70.35 N ATOM 830 CA SER A 54 -4.719 7.560 -6.181 1.00 64.11 C ATOM 831 C SER A 54 -4.438 6.415 -7.168 1.00 1.13 C ATOM 832 O SER A 54 -4.546 6.588 -8.384 1.00 51.40 O ATOM 833 CB SER A 54 -6.212 7.927 -6.247 1.00 60.34 C ATOM 834 OG SER A 54 -6.571 8.861 -5.239 1.00 12.33 O ATOM 0 H SER A 54 -4.150 9.239 -7.320 1.00 70.35 H new ATOM 0 HA SER A 54 -4.464 7.222 -5.177 1.00 64.11 H new ATOM 0 HB2 SER A 54 -6.441 8.345 -7.227 1.00 60.34 H new ATOM 0 HB3 SER A 54 -6.813 7.025 -6.137 1.00 60.34 H new ATOM 0 HG SER A 54 -7.525 9.072 -5.313 1.00 12.33 H new ATOM 840 N TYR A 55 -4.085 5.244 -6.642 1.00 72.50 N ATOM 841 CA TYR A 55 -3.836 4.054 -7.473 1.00 13.34 C ATOM 842 C TYR A 55 -4.875 2.949 -7.210 1.00 21.24 C ATOM 843 O TYR A 55 -4.867 2.314 -6.155 1.00 65.24 O ATOM 844 CB TYR A 55 -2.419 3.512 -7.214 1.00 20.42 C ATOM 845 CG TYR A 55 -2.130 2.189 -7.908 1.00 40.53 C ATOM 846 CD1 TYR A 55 -1.987 2.123 -9.290 1.00 64.53 C ATOM 847 CD2 TYR A 55 -2.003 1.009 -7.180 1.00 71.24 C ATOM 848 CE1 TYR A 55 -1.730 0.923 -9.925 1.00 5.02 C ATOM 849 CE2 TYR A 55 -1.746 -0.194 -7.808 1.00 74.10 C ATOM 850 CZ TYR A 55 -1.611 -0.231 -9.180 1.00 54.04 C ATOM 851 OH TYR A 55 -1.356 -1.429 -9.808 1.00 20.01 O ATOM 0 H TYR A 55 -3.963 5.087 -5.642 1.00 72.50 H new ATOM 0 HA TYR A 55 -3.925 4.356 -8.516 1.00 13.34 H new ATOM 0 HB2 TYR A 55 -1.691 4.252 -7.546 1.00 20.42 H new ATOM 0 HB3 TYR A 55 -2.279 3.386 -6.140 1.00 20.42 H new ATOM 0 HD1 TYR A 55 -2.078 3.025 -9.877 1.00 64.53 H new ATOM 0 HD2 TYR A 55 -2.107 1.035 -6.105 1.00 71.24 H new ATOM 0 HE1 TYR A 55 -1.623 0.889 -10.999 1.00 5.02 H new ATOM 0 HE2 TYR A 55 -1.651 -1.100 -7.228 1.00 74.10 H new ATOM 0 HH TYR A 55 -1.301 -2.144 -9.140 1.00 20.01 H new ATOM 861 N LYS A 56 -5.763 2.725 -8.176 1.00 33.14 N ATOM 862 CA LYS A 56 -6.757 1.650 -8.082 1.00 73.35 C ATOM 863 C LYS A 56 -6.109 0.287 -8.386 1.00 72.44 C ATOM 864 O LYS A 56 -5.734 0.004 -9.526 1.00 53.43 O ATOM 865 CB LYS A 56 -7.930 1.927 -9.039 1.00 42.05 C ATOM 866 CG LYS A 56 -9.036 0.873 -9.003 1.00 15.44 C ATOM 867 CD LYS A 56 -10.271 1.332 -9.783 1.00 62.13 C ATOM 868 CE LYS A 56 -11.342 0.248 -9.866 1.00 13.31 C ATOM 869 NZ LYS A 56 -10.913 -0.897 -10.713 1.00 20.23 N ATOM 0 H LYS A 56 -5.817 3.272 -9.035 1.00 33.14 H new ATOM 0 HA LYS A 56 -7.145 1.618 -7.064 1.00 73.35 H new ATOM 0 HB2 LYS A 56 -8.362 2.898 -8.794 1.00 42.05 H new ATOM 0 HB3 LYS A 56 -7.545 1.997 -10.056 1.00 42.05 H new ATOM 0 HG2 LYS A 56 -8.664 -0.061 -9.424 1.00 15.44 H new ATOM 0 HG3 LYS A 56 -9.312 0.669 -7.969 1.00 15.44 H new ATOM 0 HD2 LYS A 56 -10.690 2.218 -9.306 1.00 62.13 H new ATOM 0 HD3 LYS A 56 -9.974 1.623 -10.790 1.00 62.13 H new ATOM 0 HE2 LYS A 56 -11.574 -0.110 -8.863 1.00 13.31 H new ATOM 0 HE3 LYS A 56 -12.259 0.675 -10.272 1.00 13.31 H new ATOM 0 HZ1 LYS A 56 -11.719 -1.536 -10.868 1.00 20.23 H new ATOM 0 HZ2 LYS A 56 -10.572 -0.542 -11.629 1.00 20.23 H new ATOM 0 HZ3 LYS A 56 -10.148 -1.415 -10.235 1.00 20.23 H new ATOM 883 N TYR A 57 -5.973 -0.546 -7.352 1.00 54.42 N ATOM 884 CA TYR A 57 -5.271 -1.835 -7.461 1.00 22.14 C ATOM 885 C TYR A 57 -5.857 -2.737 -8.559 1.00 51.41 C ATOM 886 O TYR A 57 -7.077 -2.885 -8.683 1.00 12.44 O ATOM 887 CB TYR A 57 -5.304 -2.583 -6.120 1.00 53.03 C ATOM 888 CG TYR A 57 -4.491 -1.929 -5.016 1.00 11.13 C ATOM 889 CD1 TYR A 57 -5.049 -0.963 -4.187 1.00 13.24 C ATOM 890 CD2 TYR A 57 -3.166 -2.292 -4.797 1.00 53.00 C ATOM 891 CE1 TYR A 57 -4.313 -0.378 -3.176 1.00 10.23 C ATOM 892 CE2 TYR A 57 -2.425 -1.712 -3.785 1.00 0.41 C ATOM 893 CZ TYR A 57 -3.001 -0.756 -2.977 1.00 52.22 C ATOM 894 OH TYR A 57 -2.269 -0.177 -1.965 1.00 34.35 O ATOM 0 H TYR A 57 -6.342 -0.352 -6.421 1.00 54.42 H new ATOM 0 HA TYR A 57 -4.241 -1.603 -7.734 1.00 22.14 H new ATOM 0 HB2 TYR A 57 -6.340 -2.667 -5.790 1.00 53.03 H new ATOM 0 HB3 TYR A 57 -4.935 -3.597 -6.274 1.00 53.03 H new ATOM 0 HD1 TYR A 57 -6.076 -0.665 -4.336 1.00 13.24 H new ATOM 0 HD2 TYR A 57 -2.709 -3.040 -5.428 1.00 53.00 H new ATOM 0 HE1 TYR A 57 -4.763 0.373 -2.543 1.00 10.23 H new ATOM 0 HE2 TYR A 57 -1.398 -2.007 -3.628 1.00 0.41 H new ATOM 0 HH TYR A 57 -1.708 0.537 -2.334 1.00 34.35 H new ATOM 904 N THR A 58 -4.975 -3.345 -9.348 1.00 30.24 N ATOM 905 CA THR A 58 -5.386 -4.301 -10.383 1.00 64.20 C ATOM 906 C THR A 58 -5.261 -5.751 -9.884 1.00 42.43 C ATOM 907 O THR A 58 -4.189 -6.190 -9.458 1.00 22.20 O ATOM 908 CB THR A 58 -4.562 -4.121 -11.685 1.00 64.11 C ATOM 909 OG1 THR A 58 -4.988 -5.069 -12.676 1.00 42.32 O ATOM 910 CG2 THR A 58 -3.060 -4.271 -11.434 1.00 45.32 C ATOM 0 H THR A 58 -3.968 -3.195 -9.293 1.00 30.24 H new ATOM 0 HA THR A 58 -6.433 -4.096 -10.606 1.00 64.20 H new ATOM 0 HB THR A 58 -4.740 -3.109 -12.048 1.00 64.11 H new ATOM 0 HG1 THR A 58 -4.463 -4.945 -13.494 1.00 42.32 H new ATOM 0 HG21 THR A 58 -2.519 -4.138 -12.371 1.00 45.32 H new ATOM 0 HG22 THR A 58 -2.734 -3.518 -10.717 1.00 45.32 H new ATOM 0 HG23 THR A 58 -2.855 -5.264 -11.035 1.00 45.32 H new ATOM 918 N SER A 59 -6.369 -6.491 -9.927 1.00 75.43 N ATOM 919 CA SER A 59 -6.409 -7.879 -9.431 1.00 53.11 C ATOM 920 C SER A 59 -5.684 -8.853 -10.376 1.00 25.35 C ATOM 921 O SER A 59 -6.311 -9.702 -11.015 1.00 24.34 O ATOM 922 CB SER A 59 -7.868 -8.332 -9.239 1.00 54.21 C ATOM 923 OG SER A 59 -7.949 -9.679 -8.785 1.00 4.15 O ATOM 0 H SER A 59 -7.257 -6.156 -10.301 1.00 75.43 H new ATOM 0 HA SER A 59 -5.888 -7.895 -8.474 1.00 53.11 H new ATOM 0 HB2 SER A 59 -8.360 -7.676 -8.521 1.00 54.21 H new ATOM 0 HB3 SER A 59 -8.406 -8.233 -10.182 1.00 54.21 H new ATOM 0 HG SER A 59 -8.373 -9.702 -7.902 1.00 4.15 H new ATOM 929 N ARG A 60 -4.354 -8.735 -10.458 1.00 3.42 N ATOM 930 CA ARG A 60 -3.556 -9.606 -11.335 1.00 61.51 C ATOM 931 C ARG A 60 -3.163 -10.916 -10.620 1.00 12.25 C ATOM 932 O ARG A 60 -2.692 -11.864 -11.248 1.00 34.04 O ATOM 933 CB ARG A 60 -2.300 -8.865 -11.842 1.00 52.22 C ATOM 934 CG ARG A 60 -1.068 -8.994 -10.947 1.00 31.32 C ATOM 935 CD ARG A 60 0.107 -8.161 -11.467 1.00 44.51 C ATOM 936 NE ARG A 60 0.289 -8.294 -12.916 1.00 62.45 N ATOM 937 CZ ARG A 60 1.430 -8.557 -13.505 1.00 23.23 C ATOM 938 NH1 ARG A 60 2.488 -8.849 -12.815 1.00 14.40 N ATOM 939 NH2 ARG A 60 1.499 -8.556 -14.796 1.00 73.45 N ATOM 0 H ARG A 60 -3.809 -8.051 -9.933 1.00 3.42 H new ATOM 0 HA ARG A 60 -4.174 -9.868 -12.194 1.00 61.51 H new ATOM 0 HB2 ARG A 60 -2.051 -9.241 -12.834 1.00 52.22 H new ATOM 0 HB3 ARG A 60 -2.541 -7.808 -11.953 1.00 52.22 H new ATOM 0 HG2 ARG A 60 -1.319 -8.675 -9.936 1.00 31.32 H new ATOM 0 HG3 ARG A 60 -0.772 -10.041 -10.886 1.00 31.32 H new ATOM 0 HD2 ARG A 60 -0.057 -7.112 -11.219 1.00 44.51 H new ATOM 0 HD3 ARG A 60 1.021 -8.470 -10.959 1.00 44.51 H new ATOM 0 HE ARG A 60 -0.532 -8.173 -13.509 1.00 62.45 H new ATOM 0 HH11 ARG A 60 2.441 -8.877 -11.796 1.00 14.40 H new ATOM 0 HH12 ARG A 60 3.367 -9.051 -13.291 1.00 14.40 H new ATOM 0 HH21 ARG A 60 0.668 -8.351 -15.351 1.00 73.45 H new ATOM 0 HH22 ARG A 60 2.384 -8.760 -15.260 1.00 73.45 H new ATOM 953 N TYR A 61 -3.350 -10.953 -9.303 1.00 52.31 N ATOM 954 CA TYR A 61 -3.120 -12.170 -8.514 1.00 40.25 C ATOM 955 C TYR A 61 -3.971 -12.145 -7.237 1.00 64.03 C ATOM 956 O TYR A 61 -4.541 -11.111 -6.882 1.00 33.13 O ATOM 957 CB TYR A 61 -1.627 -12.325 -8.156 1.00 63.05 C ATOM 958 CG TYR A 61 -1.129 -11.352 -7.095 1.00 11.14 C ATOM 959 CD1 TYR A 61 -0.859 -10.024 -7.408 1.00 71.42 C ATOM 960 CD2 TYR A 61 -0.936 -11.765 -5.777 1.00 73.42 C ATOM 961 CE1 TYR A 61 -0.411 -9.139 -6.445 1.00 55.23 C ATOM 962 CE2 TYR A 61 -0.490 -10.883 -4.810 1.00 21.54 C ATOM 963 CZ TYR A 61 -0.230 -9.574 -5.149 1.00 73.42 C ATOM 964 OH TYR A 61 0.214 -8.694 -4.190 1.00 65.41 O ATOM 0 H TYR A 61 -3.662 -10.152 -8.753 1.00 52.31 H new ATOM 0 HA TYR A 61 -3.415 -13.027 -9.120 1.00 40.25 H new ATOM 0 HB2 TYR A 61 -1.453 -13.343 -7.808 1.00 63.05 H new ATOM 0 HB3 TYR A 61 -1.033 -12.192 -9.061 1.00 63.05 H new ATOM 0 HD1 TYR A 61 -1.002 -9.678 -8.421 1.00 71.42 H new ATOM 0 HD2 TYR A 61 -1.138 -12.791 -5.507 1.00 73.42 H new ATOM 0 HE1 TYR A 61 -0.204 -8.112 -6.706 1.00 55.23 H new ATOM 0 HE2 TYR A 61 -0.346 -11.219 -3.794 1.00 21.54 H new ATOM 0 HH TYR A 61 1.052 -9.025 -3.805 1.00 65.41 H new ATOM 974 N VAL A 62 -4.061 -13.280 -6.550 1.00 4.24 N ATOM 975 CA VAL A 62 -4.832 -13.370 -5.304 1.00 73.45 C ATOM 976 C VAL A 62 -3.955 -13.088 -4.075 1.00 70.42 C ATOM 977 O VAL A 62 -2.956 -13.775 -3.838 1.00 42.22 O ATOM 978 CB VAL A 62 -5.487 -14.763 -5.144 1.00 13.14 C ATOM 979 CG1 VAL A 62 -6.319 -14.830 -3.860 1.00 33.02 C ATOM 980 CG2 VAL A 62 -6.342 -15.100 -6.364 1.00 60.53 C ATOM 0 H VAL A 62 -3.612 -14.152 -6.831 1.00 4.24 H new ATOM 0 HA VAL A 62 -5.612 -12.611 -5.367 1.00 73.45 H new ATOM 0 HB VAL A 62 -4.693 -15.506 -5.070 1.00 13.14 H new ATOM 0 HG11 VAL A 62 -6.769 -15.818 -3.769 1.00 33.02 H new ATOM 0 HG12 VAL A 62 -5.676 -14.644 -3.000 1.00 33.02 H new ATOM 0 HG13 VAL A 62 -7.105 -14.075 -3.896 1.00 33.02 H new ATOM 0 HG21 VAL A 62 -6.793 -16.083 -6.232 1.00 60.53 H new ATOM 0 HG22 VAL A 62 -7.127 -14.352 -6.476 1.00 60.53 H new ATOM 0 HG23 VAL A 62 -5.716 -15.105 -7.257 1.00 60.53 H new ATOM 990 N LEU A 63 -4.328 -12.075 -3.295 1.00 22.34 N ATOM 991 CA LEU A 63 -3.606 -11.750 -2.063 1.00 34.53 C ATOM 992 C LEU A 63 -3.967 -12.755 -0.956 1.00 25.24 C ATOM 993 O LEU A 63 -4.899 -12.546 -0.175 1.00 22.43 O ATOM 994 CB LEU A 63 -3.910 -10.309 -1.616 1.00 15.42 C ATOM 995 CG LEU A 63 -3.123 -9.816 -0.387 1.00 34.34 C ATOM 996 CD1 LEU A 63 -1.618 -9.902 -0.634 1.00 62.03 C ATOM 997 CD2 LEU A 63 -3.531 -8.388 -0.026 1.00 24.42 C ATOM 0 H LEU A 63 -5.123 -11.466 -3.492 1.00 22.34 H new ATOM 0 HA LEU A 63 -2.536 -11.821 -2.258 1.00 34.53 H new ATOM 0 HB2 LEU A 63 -3.705 -9.638 -2.450 1.00 15.42 H new ATOM 0 HB3 LEU A 63 -4.975 -10.232 -1.399 1.00 15.42 H new ATOM 0 HG LEU A 63 -3.364 -10.465 0.455 1.00 34.34 H new ATOM 0 HD11 LEU A 63 -1.084 -9.548 0.248 1.00 62.03 H new ATOM 0 HD12 LEU A 63 -1.341 -10.937 -0.836 1.00 62.03 H new ATOM 0 HD13 LEU A 63 -1.354 -9.282 -1.491 1.00 62.03 H new ATOM 0 HD21 LEU A 63 -2.965 -8.057 0.844 1.00 24.42 H new ATOM 0 HD22 LEU A 63 -3.323 -7.727 -0.867 1.00 24.42 H new ATOM 0 HD23 LEU A 63 -4.596 -8.361 0.203 1.00 24.42 H new ATOM 1009 N LYS A 64 -3.236 -13.864 -0.923 1.00 42.31 N ATOM 1010 CA LYS A 64 -3.528 -14.971 -0.009 1.00 43.33 C ATOM 1011 C LYS A 64 -3.308 -14.603 1.469 1.00 23.21 C ATOM 1012 O LYS A 64 -2.578 -13.661 1.796 1.00 51.12 O ATOM 1013 CB LYS A 64 -2.694 -16.195 -0.399 1.00 24.00 C ATOM 1014 CG LYS A 64 -3.024 -16.714 -1.798 1.00 54.05 C ATOM 1015 CD LYS A 64 -2.312 -18.026 -2.116 1.00 62.22 C ATOM 1016 CE LYS A 64 -2.699 -18.551 -3.494 1.00 33.14 C ATOM 1017 NZ LYS A 64 -2.094 -19.880 -3.776 1.00 15.20 N ATOM 0 H LYS A 64 -2.428 -14.024 -1.524 1.00 42.31 H new ATOM 0 HA LYS A 64 -4.588 -15.205 -0.107 1.00 43.33 H new ATOM 0 HB2 LYS A 64 -1.636 -15.938 -0.352 1.00 24.00 H new ATOM 0 HB3 LYS A 64 -2.862 -16.990 0.328 1.00 24.00 H new ATOM 0 HG2 LYS A 64 -4.101 -16.858 -1.884 1.00 54.05 H new ATOM 0 HG3 LYS A 64 -2.743 -15.963 -2.537 1.00 54.05 H new ATOM 0 HD2 LYS A 64 -1.233 -17.876 -2.072 1.00 62.22 H new ATOM 0 HD3 LYS A 64 -2.561 -18.769 -1.359 1.00 62.22 H new ATOM 0 HE2 LYS A 64 -3.784 -18.625 -3.561 1.00 33.14 H new ATOM 0 HE3 LYS A 64 -2.380 -17.839 -4.255 1.00 33.14 H new ATOM 0 HZ1 LYS A 64 -2.383 -20.199 -4.723 1.00 15.20 H new ATOM 0 HZ2 LYS A 64 -1.057 -19.805 -3.738 1.00 15.20 H new ATOM 0 HZ3 LYS A 64 -2.418 -20.567 -3.065 1.00 15.20 H new ATOM 1031 N ALA A 65 -3.956 -15.359 2.353 1.00 75.31 N ATOM 1032 CA ALA A 65 -3.951 -15.076 3.793 1.00 63.23 C ATOM 1033 C ALA A 65 -2.540 -15.134 4.409 1.00 65.30 C ATOM 1034 O ALA A 65 -1.884 -16.179 4.405 1.00 64.03 O ATOM 1035 CB ALA A 65 -4.887 -16.044 4.510 1.00 34.32 C ATOM 0 H ALA A 65 -4.499 -16.183 2.096 1.00 75.31 H new ATOM 0 HA ALA A 65 -4.304 -14.053 3.925 1.00 63.23 H new ATOM 0 HB1 ALA A 65 -4.881 -15.831 5.579 1.00 34.32 H new ATOM 0 HB2 ALA A 65 -5.899 -15.926 4.122 1.00 34.32 H new ATOM 0 HB3 ALA A 65 -4.551 -17.067 4.342 1.00 34.32 H new ATOM 1041 N GLY A 66 -2.083 -14.003 4.943 1.00 4.44 N ATOM 1042 CA GLY A 66 -0.791 -13.952 5.621 1.00 63.10 C ATOM 1043 C GLY A 66 0.301 -13.238 4.826 1.00 3.30 C ATOM 1044 O GLY A 66 1.302 -12.803 5.396 1.00 43.51 O ATOM 0 H GLY A 66 -2.585 -13.115 4.919 1.00 4.44 H new ATOM 0 HA2 GLY A 66 -0.915 -13.449 6.580 1.00 63.10 H new ATOM 0 HA3 GLY A 66 -0.464 -14.970 5.835 1.00 63.10 H new ATOM 1048 N GLN A 67 0.118 -13.109 3.512 1.00 24.34 N ATOM 1049 CA GLN A 67 1.135 -12.481 2.656 1.00 62.34 C ATOM 1050 C GLN A 67 1.098 -10.945 2.759 1.00 31.21 C ATOM 1051 O GLN A 67 0.031 -10.333 2.865 1.00 40.23 O ATOM 1052 CB GLN A 67 0.963 -12.931 1.194 1.00 34.10 C ATOM 1053 CG GLN A 67 2.011 -12.365 0.230 1.00 64.34 C ATOM 1054 CD GLN A 67 3.445 -12.659 0.665 1.00 63.24 C ATOM 1055 OE1 GLN A 67 4.068 -11.874 1.373 1.00 52.41 O ATOM 1056 NE2 GLN A 67 3.978 -13.793 0.258 1.00 75.12 N ATOM 0 H GLN A 67 -0.715 -13.426 3.017 1.00 24.34 H new ATOM 0 HA GLN A 67 2.112 -12.809 3.011 1.00 62.34 H new ATOM 0 HB2 GLN A 67 1.001 -14.020 1.155 1.00 34.10 H new ATOM 0 HB3 GLN A 67 -0.028 -12.634 0.849 1.00 34.10 H new ATOM 0 HG2 GLN A 67 1.846 -12.783 -0.763 1.00 64.34 H new ATOM 0 HG3 GLN A 67 1.876 -11.286 0.148 1.00 64.34 H new ATOM 0 HE21 GLN A 67 3.438 -14.428 -0.330 1.00 75.12 H new ATOM 0 HE22 GLN A 67 4.930 -14.036 0.531 1.00 75.12 H new ATOM 1065 N THR A 68 2.279 -10.336 2.743 1.00 14.11 N ATOM 1066 CA THR A 68 2.422 -8.881 2.838 1.00 72.54 C ATOM 1067 C THR A 68 2.784 -8.255 1.482 1.00 70.05 C ATOM 1068 O THR A 68 3.948 -8.259 1.076 1.00 70.15 O ATOM 1069 CB THR A 68 3.511 -8.509 3.870 1.00 5.54 C ATOM 1070 OG1 THR A 68 4.737 -9.185 3.558 1.00 63.54 O ATOM 1071 CG2 THR A 68 3.079 -8.881 5.279 1.00 52.24 C ATOM 0 H THR A 68 3.166 -10.834 2.664 1.00 14.11 H new ATOM 0 HA THR A 68 1.458 -8.486 3.158 1.00 72.54 H new ATOM 0 HB THR A 68 3.662 -7.431 3.823 1.00 5.54 H new ATOM 0 HG1 THR A 68 4.913 -9.116 2.596 1.00 63.54 H new ATOM 0 HG21 THR A 68 3.864 -8.608 5.984 1.00 52.24 H new ATOM 0 HG22 THR A 68 2.163 -8.347 5.531 1.00 52.24 H new ATOM 0 HG23 THR A 68 2.900 -9.955 5.333 1.00 52.24 H new ATOM 1079 N VAL A 69 1.780 -7.726 0.783 1.00 64.21 N ATOM 1080 CA VAL A 69 1.993 -7.079 -0.515 1.00 22.24 C ATOM 1081 C VAL A 69 2.750 -5.745 -0.369 1.00 14.43 C ATOM 1082 O VAL A 69 2.280 -4.809 0.280 1.00 40.05 O ATOM 1083 CB VAL A 69 0.649 -6.848 -1.259 1.00 45.24 C ATOM 1084 CG1 VAL A 69 -0.357 -6.108 -0.374 1.00 14.34 C ATOM 1085 CG2 VAL A 69 0.878 -6.100 -2.575 1.00 41.30 C ATOM 0 H VAL A 69 0.808 -7.732 1.093 1.00 64.21 H new ATOM 0 HA VAL A 69 2.607 -7.757 -1.108 1.00 22.24 H new ATOM 0 HB VAL A 69 0.225 -7.824 -1.493 1.00 45.24 H new ATOM 0 HG11 VAL A 69 -1.287 -5.962 -0.924 1.00 14.34 H new ATOM 0 HG12 VAL A 69 -0.554 -6.696 0.523 1.00 14.34 H new ATOM 0 HG13 VAL A 69 0.052 -5.139 -0.090 1.00 14.34 H new ATOM 0 HG21 VAL A 69 -0.077 -5.949 -3.079 1.00 41.30 H new ATOM 0 HG22 VAL A 69 1.336 -5.133 -2.369 1.00 41.30 H new ATOM 0 HG23 VAL A 69 1.538 -6.685 -3.216 1.00 41.30 H new ATOM 1095 N THR A 70 3.938 -5.674 -0.965 1.00 44.10 N ATOM 1096 CA THR A 70 4.760 -4.460 -0.915 1.00 31.21 C ATOM 1097 C THR A 70 4.593 -3.602 -2.178 1.00 34.33 C ATOM 1098 O THR A 70 4.810 -4.067 -3.297 1.00 62.12 O ATOM 1099 CB THR A 70 6.261 -4.804 -0.741 1.00 42.34 C ATOM 1100 OG1 THR A 70 6.446 -5.652 0.401 1.00 55.45 O ATOM 1101 CG2 THR A 70 7.102 -3.543 -0.574 1.00 60.43 C ATOM 0 H THR A 70 4.356 -6.442 -1.490 1.00 44.10 H new ATOM 0 HA THR A 70 4.413 -3.891 -0.053 1.00 31.21 H new ATOM 0 HB THR A 70 6.588 -5.324 -1.642 1.00 42.34 H new ATOM 0 HG1 THR A 70 6.252 -6.580 0.154 1.00 55.45 H new ATOM 0 HG21 THR A 70 8.150 -3.818 -0.454 1.00 60.43 H new ATOM 0 HG22 THR A 70 6.991 -2.912 -1.456 1.00 60.43 H new ATOM 0 HG23 THR A 70 6.767 -2.996 0.308 1.00 60.43 H new ATOM 1109 N ILE A 71 4.197 -2.348 -1.990 1.00 25.31 N ATOM 1110 CA ILE A 71 4.105 -1.387 -3.090 1.00 60.51 C ATOM 1111 C ILE A 71 5.469 -0.734 -3.364 1.00 4.33 C ATOM 1112 O ILE A 71 5.911 0.142 -2.618 1.00 25.04 O ATOM 1113 CB ILE A 71 3.056 -0.285 -2.789 1.00 41.30 C ATOM 1114 CG1 ILE A 71 1.661 -0.907 -2.599 1.00 12.32 C ATOM 1115 CG2 ILE A 71 3.035 0.765 -3.899 1.00 32.03 C ATOM 1116 CD1 ILE A 71 1.151 -1.663 -3.811 1.00 21.32 C ATOM 0 H ILE A 71 3.932 -1.969 -1.081 1.00 25.31 H new ATOM 0 HA ILE A 71 3.789 -1.939 -3.975 1.00 60.51 H new ATOM 0 HB ILE A 71 3.340 0.212 -1.862 1.00 41.30 H new ATOM 0 HG12 ILE A 71 1.690 -1.586 -1.746 1.00 12.32 H new ATOM 0 HG13 ILE A 71 0.953 -0.116 -2.353 1.00 12.32 H new ATOM 0 HG21 ILE A 71 2.292 1.527 -3.665 1.00 32.03 H new ATOM 0 HG22 ILE A 71 4.018 1.229 -3.979 1.00 32.03 H new ATOM 0 HG23 ILE A 71 2.781 0.289 -4.846 1.00 32.03 H new ATOM 0 HD11 ILE A 71 0.163 -2.071 -3.596 1.00 21.32 H new ATOM 0 HD12 ILE A 71 1.087 -0.985 -4.662 1.00 21.32 H new ATOM 0 HD13 ILE A 71 1.836 -2.477 -4.047 1.00 21.32 H new ATOM 1128 N TRP A 72 6.141 -1.183 -4.422 1.00 32.42 N ATOM 1129 CA TRP A 72 7.447 -0.632 -4.805 1.00 44.24 C ATOM 1130 C TRP A 72 7.271 0.626 -5.671 1.00 51.21 C ATOM 1131 O TRP A 72 6.708 0.557 -6.764 1.00 54.24 O ATOM 1132 CB TRP A 72 8.261 -1.687 -5.569 1.00 61.33 C ATOM 1133 CG TRP A 72 8.482 -2.958 -4.793 1.00 74.31 C ATOM 1134 CD1 TRP A 72 7.770 -4.120 -4.901 1.00 73.20 C ATOM 1135 CD2 TRP A 72 9.479 -3.192 -3.788 1.00 34.23 C ATOM 1136 NE1 TRP A 72 8.266 -5.059 -4.031 1.00 45.31 N ATOM 1137 CE2 TRP A 72 9.312 -4.515 -3.336 1.00 61.12 C ATOM 1138 CE3 TRP A 72 10.498 -2.413 -3.229 1.00 65.43 C ATOM 1139 CZ2 TRP A 72 10.125 -5.074 -2.353 1.00 43.34 C ATOM 1140 CZ3 TRP A 72 11.303 -2.969 -2.252 1.00 24.45 C ATOM 1141 CH2 TRP A 72 11.112 -4.290 -1.823 1.00 63.32 C ATOM 0 H TRP A 72 5.805 -1.928 -5.033 1.00 32.42 H new ATOM 0 HA TRP A 72 7.985 -0.355 -3.898 1.00 44.24 H new ATOM 0 HB2 TRP A 72 7.748 -1.925 -6.501 1.00 61.33 H new ATOM 0 HB3 TRP A 72 9.228 -1.263 -5.838 1.00 61.33 H new ATOM 0 HD1 TRP A 72 6.939 -4.276 -5.573 1.00 73.20 H new ATOM 0 HE1 TRP A 72 7.912 -6.009 -3.920 1.00 45.31 H new ATOM 0 HE3 TRP A 72 10.653 -1.395 -3.555 1.00 65.43 H new ATOM 0 HZ2 TRP A 72 9.981 -6.091 -2.021 1.00 43.34 H new ATOM 0 HZ3 TRP A 72 12.091 -2.376 -1.812 1.00 24.45 H new ATOM 0 HH2 TRP A 72 11.757 -4.697 -1.058 1.00 63.32 H new ATOM 1152 N ALA A 73 7.761 1.767 -5.186 1.00 4.02 N ATOM 1153 CA ALA A 73 7.561 3.052 -5.875 1.00 55.34 C ATOM 1154 C ALA A 73 8.387 3.165 -7.173 1.00 41.32 C ATOM 1155 O ALA A 73 9.428 3.825 -7.201 1.00 21.50 O ATOM 1156 CB ALA A 73 7.881 4.212 -4.935 1.00 40.50 C ATOM 0 H ALA A 73 8.298 1.833 -4.322 1.00 4.02 H new ATOM 0 HA ALA A 73 6.511 3.100 -6.164 1.00 55.34 H new ATOM 0 HB1 ALA A 73 7.729 5.156 -5.458 1.00 40.50 H new ATOM 0 HB2 ALA A 73 7.224 4.168 -4.066 1.00 40.50 H new ATOM 0 HB3 ALA A 73 8.919 4.141 -4.609 1.00 40.50 H new ATOM 1162 N ALA A 74 7.910 2.506 -8.235 1.00 12.22 N ATOM 1163 CA ALA A 74 8.541 2.539 -9.571 1.00 3.32 C ATOM 1164 C ALA A 74 10.015 2.089 -9.563 1.00 62.14 C ATOM 1165 O ALA A 74 10.347 1.010 -10.059 1.00 53.55 O ATOM 1166 CB ALA A 74 8.415 3.926 -10.193 1.00 74.20 C ATOM 0 H ALA A 74 7.070 1.929 -8.197 1.00 12.22 H new ATOM 0 HA ALA A 74 7.998 1.816 -10.180 1.00 3.32 H new ATOM 0 HB1 ALA A 74 8.886 3.928 -11.176 1.00 74.20 H new ATOM 0 HB2 ALA A 74 7.361 4.185 -10.295 1.00 74.20 H new ATOM 0 HB3 ALA A 74 8.908 4.658 -9.553 1.00 74.20 H new ATOM 1172 N ASN A 75 10.899 2.934 -9.032 1.00 20.01 N ATOM 1173 CA ASN A 75 12.338 2.640 -8.983 1.00 14.42 C ATOM 1174 C ASN A 75 12.709 1.859 -7.711 1.00 63.34 C ATOM 1175 O ASN A 75 12.838 2.436 -6.628 1.00 1.30 O ATOM 1176 CB ASN A 75 13.145 3.945 -9.055 1.00 22.13 C ATOM 1177 CG ASN A 75 12.815 4.761 -10.293 1.00 21.55 C ATOM 1178 OD1 ASN A 75 12.444 4.218 -11.330 1.00 55.41 O ATOM 1179 ND2 ASN A 75 12.935 6.072 -10.198 1.00 63.31 N ATOM 0 H ASN A 75 10.645 3.835 -8.626 1.00 20.01 H new ATOM 0 HA ASN A 75 12.583 2.016 -9.843 1.00 14.42 H new ATOM 0 HB2 ASN A 75 12.945 4.542 -8.165 1.00 22.13 H new ATOM 0 HB3 ASN A 75 14.210 3.712 -9.050 1.00 22.13 H new ATOM 0 HD21 ASN A 75 12.717 6.664 -11.000 1.00 63.31 H new ATOM 0 HD22 ASN A 75 13.246 6.494 -9.323 1.00 63.31 H new ATOM 1186 N ALA A 76 12.878 0.544 -7.847 1.00 11.20 N ATOM 1187 CA ALA A 76 13.207 -0.314 -6.703 1.00 24.13 C ATOM 1188 C ALA A 76 13.950 -1.596 -7.121 1.00 53.24 C ATOM 1189 O ALA A 76 14.146 -2.501 -6.306 1.00 50.22 O ATOM 1190 CB ALA A 76 11.935 -0.665 -5.940 1.00 54.02 C ATOM 0 H ALA A 76 12.793 0.048 -8.734 1.00 11.20 H new ATOM 0 HA ALA A 76 13.883 0.247 -6.057 1.00 24.13 H new ATOM 0 HB1 ALA A 76 12.184 -1.302 -5.091 1.00 54.02 H new ATOM 0 HB2 ALA A 76 11.462 0.249 -5.581 1.00 54.02 H new ATOM 0 HB3 ALA A 76 11.248 -1.193 -6.601 1.00 54.02 H new ATOM 1196 N GLY A 77 14.356 -1.678 -8.386 1.00 3.12 N ATOM 1197 CA GLY A 77 15.103 -2.843 -8.869 1.00 33.54 C ATOM 1198 C GLY A 77 14.235 -4.071 -9.164 1.00 31.41 C ATOM 1199 O GLY A 77 14.515 -4.825 -10.101 1.00 42.13 O ATOM 0 H GLY A 77 14.184 -0.961 -9.091 1.00 3.12 H new ATOM 0 HA2 GLY A 77 15.639 -2.565 -9.776 1.00 33.54 H new ATOM 0 HA3 GLY A 77 15.853 -3.113 -8.125 1.00 33.54 H new ATOM 1203 N VAL A 78 13.194 -4.278 -8.359 1.00 13.23 N ATOM 1204 CA VAL A 78 12.295 -5.434 -8.504 1.00 3.30 C ATOM 1205 C VAL A 78 11.682 -5.528 -9.917 1.00 31.05 C ATOM 1206 O VAL A 78 11.475 -4.515 -10.588 1.00 22.41 O ATOM 1207 CB VAL A 78 11.160 -5.377 -7.447 1.00 22.54 C ATOM 1208 CG1 VAL A 78 10.262 -6.615 -7.524 1.00 44.30 C ATOM 1209 CG2 VAL A 78 11.745 -5.218 -6.043 1.00 74.42 C ATOM 0 H VAL A 78 12.946 -3.656 -7.590 1.00 13.23 H new ATOM 0 HA VAL A 78 12.901 -6.326 -8.345 1.00 3.30 H new ATOM 0 HB VAL A 78 10.541 -4.507 -7.666 1.00 22.54 H new ATOM 0 HG11 VAL A 78 9.478 -6.543 -6.770 1.00 44.30 H new ATOM 0 HG12 VAL A 78 9.810 -6.675 -8.514 1.00 44.30 H new ATOM 0 HG13 VAL A 78 10.859 -7.509 -7.343 1.00 44.30 H new ATOM 0 HG21 VAL A 78 10.936 -5.180 -5.314 1.00 74.42 H new ATOM 0 HG22 VAL A 78 12.394 -6.065 -5.821 1.00 74.42 H new ATOM 0 HG23 VAL A 78 12.323 -4.295 -5.992 1.00 74.42 H new ATOM 1219 N THR A 79 11.402 -6.760 -10.358 1.00 31.02 N ATOM 1220 CA THR A 79 10.838 -7.011 -11.698 1.00 22.11 C ATOM 1221 C THR A 79 9.445 -6.377 -11.881 1.00 35.12 C ATOM 1222 O THR A 79 8.869 -5.828 -10.942 1.00 45.24 O ATOM 1223 CB THR A 79 10.741 -8.529 -11.996 1.00 14.55 C ATOM 1224 OG1 THR A 79 10.269 -8.745 -13.334 1.00 62.42 O ATOM 1225 CG2 THR A 79 9.811 -9.228 -11.007 1.00 21.11 C ATOM 0 H THR A 79 11.556 -7.605 -9.807 1.00 31.02 H new ATOM 0 HA THR A 79 11.526 -6.542 -12.402 1.00 22.11 H new ATOM 0 HB THR A 79 11.740 -8.952 -11.891 1.00 14.55 H new ATOM 0 HG1 THR A 79 10.214 -9.707 -13.510 1.00 62.42 H new ATOM 0 HG21 THR A 79 9.763 -10.291 -11.242 1.00 21.11 H new ATOM 0 HG22 THR A 79 10.192 -9.097 -9.994 1.00 21.11 H new ATOM 0 HG23 THR A 79 8.813 -8.796 -11.078 1.00 21.11 H new ATOM 1233 N ALA A 80 8.900 -6.480 -13.094 1.00 1.14 N ATOM 1234 CA ALA A 80 7.638 -5.814 -13.446 1.00 1.24 C ATOM 1235 C ALA A 80 6.411 -6.440 -12.755 1.00 51.34 C ATOM 1236 O ALA A 80 5.647 -7.188 -13.371 1.00 35.43 O ATOM 1237 CB ALA A 80 7.455 -5.812 -14.958 1.00 75.20 C ATOM 0 H ALA A 80 9.312 -7.020 -13.855 1.00 1.14 H new ATOM 0 HA ALA A 80 7.707 -4.789 -13.082 1.00 1.24 H new ATOM 0 HB1 ALA A 80 6.517 -5.317 -15.210 1.00 75.20 H new ATOM 0 HB2 ALA A 80 8.284 -5.279 -15.424 1.00 75.20 H new ATOM 0 HB3 ALA A 80 7.433 -6.839 -15.323 1.00 75.20 H new ATOM 1243 N SER A 81 6.247 -6.133 -11.470 1.00 34.42 N ATOM 1244 CA SER A 81 5.061 -6.533 -10.692 1.00 34.33 C ATOM 1245 C SER A 81 4.927 -8.059 -10.510 1.00 72.43 C ATOM 1246 O SER A 81 4.560 -8.781 -11.433 1.00 50.50 O ATOM 1247 CB SER A 81 3.772 -5.966 -11.316 1.00 33.03 C ATOM 1248 OG SER A 81 3.730 -4.549 -11.219 1.00 73.20 O ATOM 0 H SER A 81 6.930 -5.599 -10.932 1.00 34.42 H new ATOM 0 HA SER A 81 5.206 -6.107 -9.699 1.00 34.33 H new ATOM 0 HB2 SER A 81 3.712 -6.263 -12.363 1.00 33.03 H new ATOM 0 HB3 SER A 81 2.904 -6.393 -10.813 1.00 33.03 H new ATOM 0 HG SER A 81 2.902 -4.218 -11.625 1.00 73.20 H new ATOM 1254 N PRO A 82 5.251 -8.561 -9.298 1.00 25.11 N ATOM 1255 CA PRO A 82 4.903 -9.941 -8.853 1.00 34.24 C ATOM 1256 C PRO A 82 3.414 -10.305 -9.178 1.00 44.25 C ATOM 1257 O PRO A 82 2.647 -9.406 -9.538 1.00 21.23 O ATOM 1258 CB PRO A 82 5.197 -9.845 -7.364 1.00 32.20 C ATOM 1259 CG PRO A 82 6.328 -8.886 -7.264 1.00 51.23 C ATOM 1260 CD PRO A 82 6.025 -7.829 -8.273 1.00 31.35 C ATOM 0 HA PRO A 82 5.455 -10.738 -9.352 1.00 34.24 H new ATOM 0 HB2 PRO A 82 4.327 -9.491 -6.811 1.00 32.20 H new ATOM 0 HB3 PRO A 82 5.464 -10.817 -6.950 1.00 32.20 H new ATOM 0 HG2 PRO A 82 6.402 -8.465 -6.261 1.00 51.23 H new ATOM 0 HG3 PRO A 82 7.279 -9.374 -7.476 1.00 51.23 H new ATOM 0 HD2 PRO A 82 5.449 -7.011 -7.840 1.00 31.35 H new ATOM 0 HD3 PRO A 82 6.934 -7.394 -8.688 1.00 31.35 H new ATOM 1268 N PRO A 83 2.904 -11.584 -9.063 1.00 64.15 N ATOM 1269 CA PRO A 83 3.133 -12.675 -8.078 1.00 64.52 C ATOM 1270 C PRO A 83 3.906 -12.430 -6.760 1.00 53.45 C ATOM 1271 O PRO A 83 4.991 -12.972 -6.552 1.00 24.55 O ATOM 1272 CB PRO A 83 3.760 -13.698 -9.014 1.00 74.00 C ATOM 1273 CG PRO A 83 2.921 -13.548 -10.277 1.00 42.32 C ATOM 1274 CD PRO A 83 2.152 -12.227 -10.140 1.00 42.14 C ATOM 0 HA PRO A 83 2.212 -12.942 -7.560 1.00 64.52 H new ATOM 0 HB2 PRO A 83 4.813 -13.487 -9.199 1.00 74.00 H new ATOM 0 HB3 PRO A 83 3.704 -14.708 -8.607 1.00 74.00 H new ATOM 0 HG2 PRO A 83 3.555 -13.537 -11.164 1.00 42.32 H new ATOM 0 HG3 PRO A 83 2.233 -14.387 -10.387 1.00 42.32 H new ATOM 0 HD2 PRO A 83 2.166 -11.643 -11.060 1.00 42.14 H new ATOM 0 HD3 PRO A 83 1.106 -12.383 -9.878 1.00 42.14 H new ATOM 1282 N THR A 84 3.296 -11.587 -5.891 1.00 23.33 N ATOM 1283 CA THR A 84 3.601 -11.445 -4.430 1.00 0.40 C ATOM 1284 C THR A 84 3.442 -9.976 -3.976 1.00 3.12 C ATOM 1285 O THR A 84 2.632 -9.676 -3.101 1.00 44.15 O ATOM 1286 CB THR A 84 4.990 -11.992 -3.951 1.00 71.12 C ATOM 1287 OG1 THR A 84 5.066 -11.945 -2.515 1.00 34.53 O ATOM 1288 CG2 THR A 84 6.175 -11.225 -4.523 1.00 1.21 C ATOM 0 H THR A 84 2.549 -10.960 -6.191 1.00 23.33 H new ATOM 0 HA THR A 84 2.863 -12.090 -3.952 1.00 0.40 H new ATOM 0 HB THR A 84 5.054 -13.016 -4.318 1.00 71.12 H new ATOM 0 HG1 THR A 84 5.935 -12.289 -2.222 1.00 34.53 H new ATOM 0 HG21 THR A 84 7.103 -11.658 -4.149 1.00 1.21 H new ATOM 0 HG22 THR A 84 6.158 -11.287 -5.611 1.00 1.21 H new ATOM 0 HG23 THR A 84 6.113 -10.180 -4.218 1.00 1.21 H new ATOM 1296 N ASP A 85 4.212 -9.074 -4.582 1.00 55.13 N ATOM 1297 CA ASP A 85 4.095 -7.629 -4.347 1.00 34.31 C ATOM 1298 C ASP A 85 3.534 -6.926 -5.602 1.00 12.35 C ATOM 1299 O ASP A 85 3.076 -7.586 -6.539 1.00 52.32 O ATOM 1300 CB ASP A 85 5.475 -7.049 -4.005 1.00 61.32 C ATOM 1301 CG ASP A 85 6.189 -7.831 -2.915 1.00 23.14 C ATOM 1302 OD1 ASP A 85 5.684 -7.868 -1.774 1.00 43.40 O ATOM 1303 OD2 ASP A 85 7.263 -8.404 -3.195 1.00 31.11 O ATOM 0 H ASP A 85 4.939 -9.322 -5.253 1.00 55.13 H new ATOM 0 HA ASP A 85 3.412 -7.461 -3.514 1.00 34.31 H new ATOM 0 HB2 ASP A 85 6.093 -7.040 -4.903 1.00 61.32 H new ATOM 0 HB3 ASP A 85 5.360 -6.013 -3.686 1.00 61.32 H new ATOM 1308 N LEU A 86 3.589 -5.593 -5.627 1.00 63.51 N ATOM 1309 CA LEU A 86 3.136 -4.812 -6.795 1.00 62.10 C ATOM 1310 C LEU A 86 4.047 -3.601 -7.054 1.00 42.51 C ATOM 1311 O LEU A 86 4.450 -2.899 -6.122 1.00 5.21 O ATOM 1312 CB LEU A 86 1.685 -4.330 -6.599 1.00 52.44 C ATOM 1313 CG LEU A 86 0.604 -5.420 -6.696 1.00 33.22 C ATOM 1314 CD1 LEU A 86 -0.774 -4.844 -6.373 1.00 3.10 C ATOM 1315 CD2 LEU A 86 0.611 -6.064 -8.084 1.00 60.21 C ATOM 0 H LEU A 86 3.941 -5.026 -4.856 1.00 63.51 H new ATOM 0 HA LEU A 86 3.184 -5.472 -7.661 1.00 62.10 H new ATOM 0 HB2 LEU A 86 1.608 -3.853 -5.622 1.00 52.44 H new ATOM 0 HB3 LEU A 86 1.472 -3.564 -7.345 1.00 52.44 H new ATOM 0 HG LEU A 86 0.830 -6.192 -5.961 1.00 33.22 H new ATOM 0 HD11 LEU A 86 -1.524 -5.631 -6.447 1.00 3.10 H new ATOM 0 HD12 LEU A 86 -0.771 -4.440 -5.361 1.00 3.10 H new ATOM 0 HD13 LEU A 86 -1.011 -4.049 -7.080 1.00 3.10 H new ATOM 0 HD21 LEU A 86 -0.161 -6.832 -8.132 1.00 60.21 H new ATOM 0 HD22 LEU A 86 0.413 -5.303 -8.839 1.00 60.21 H new ATOM 0 HD23 LEU A 86 1.585 -6.516 -8.271 1.00 60.21 H new ATOM 1327 N ILE A 87 4.374 -3.359 -8.328 1.00 64.10 N ATOM 1328 CA ILE A 87 5.164 -2.185 -8.717 1.00 71.23 C ATOM 1329 C ILE A 87 4.251 -0.995 -9.062 1.00 21.12 C ATOM 1330 O ILE A 87 3.373 -1.080 -9.926 1.00 50.25 O ATOM 1331 CB ILE A 87 6.128 -2.498 -9.903 1.00 44.52 C ATOM 1332 CG1 ILE A 87 7.423 -3.165 -9.394 1.00 3.30 C ATOM 1333 CG2 ILE A 87 6.468 -1.232 -10.695 1.00 40.35 C ATOM 1334 CD1 ILE A 87 7.208 -4.421 -8.577 1.00 3.11 C ATOM 0 H ILE A 87 4.104 -3.960 -9.107 1.00 64.10 H new ATOM 0 HA ILE A 87 5.777 -1.913 -7.858 1.00 71.23 H new ATOM 0 HB ILE A 87 5.613 -3.190 -10.569 1.00 44.52 H new ATOM 0 HG12 ILE A 87 8.051 -3.408 -10.251 1.00 3.30 H new ATOM 0 HG13 ILE A 87 7.973 -2.444 -8.789 1.00 3.30 H new ATOM 0 HG21 ILE A 87 7.141 -1.485 -11.514 1.00 40.35 H new ATOM 0 HG22 ILE A 87 5.553 -0.798 -11.098 1.00 40.35 H new ATOM 0 HG23 ILE A 87 6.952 -0.510 -10.037 1.00 40.35 H new ATOM 0 HD11 ILE A 87 8.172 -4.820 -8.262 1.00 3.11 H new ATOM 0 HD12 ILE A 87 6.609 -4.185 -7.698 1.00 3.11 H new ATOM 0 HD13 ILE A 87 6.688 -5.164 -9.182 1.00 3.11 H new ATOM 1346 N TRP A 88 4.477 0.113 -8.369 1.00 24.40 N ATOM 1347 CA TRP A 88 3.661 1.320 -8.501 1.00 65.10 C ATOM 1348 C TRP A 88 4.253 2.274 -9.556 1.00 52.40 C ATOM 1349 O TRP A 88 5.301 2.876 -9.340 1.00 43.03 O ATOM 1350 CB TRP A 88 3.585 1.998 -7.129 1.00 34.24 C ATOM 1351 CG TRP A 88 2.664 3.172 -7.061 1.00 62.02 C ATOM 1352 CD1 TRP A 88 1.390 3.244 -7.538 1.00 44.12 C ATOM 1353 CD2 TRP A 88 2.938 4.433 -6.446 1.00 24.31 C ATOM 1354 NE1 TRP A 88 0.862 4.482 -7.275 1.00 2.44 N ATOM 1355 CE2 TRP A 88 1.793 5.230 -6.604 1.00 15.42 C ATOM 1356 CE3 TRP A 88 4.048 4.965 -5.785 1.00 23.35 C ATOM 1357 CZ2 TRP A 88 1.723 6.530 -6.122 1.00 33.23 C ATOM 1358 CZ3 TRP A 88 3.977 6.257 -5.306 1.00 45.52 C ATOM 1359 CH2 TRP A 88 2.822 7.028 -5.479 1.00 52.14 C ATOM 0 H TRP A 88 5.236 0.204 -7.694 1.00 24.40 H new ATOM 0 HA TRP A 88 2.659 1.054 -8.839 1.00 65.10 H new ATOM 0 HB2 TRP A 88 3.266 1.261 -6.392 1.00 34.24 H new ATOM 0 HB3 TRP A 88 4.586 2.322 -6.843 1.00 34.24 H new ATOM 0 HD1 TRP A 88 0.873 2.445 -8.048 1.00 44.12 H new ATOM 0 HE1 TRP A 88 -0.073 4.795 -7.537 1.00 2.44 H new ATOM 0 HE3 TRP A 88 4.944 4.377 -5.652 1.00 23.35 H new ATOM 0 HZ2 TRP A 88 0.832 7.127 -6.250 1.00 33.23 H new ATOM 0 HZ3 TRP A 88 4.826 6.680 -4.790 1.00 45.52 H new ATOM 0 HH2 TRP A 88 2.798 8.038 -5.097 1.00 52.14 H new ATOM 1370 N LYS A 89 3.571 2.404 -10.695 1.00 43.31 N ATOM 1371 CA LYS A 89 4.087 3.190 -11.832 1.00 30.12 C ATOM 1372 C LYS A 89 3.587 4.650 -11.840 1.00 33.05 C ATOM 1373 O LYS A 89 3.905 5.415 -12.756 1.00 71.34 O ATOM 1374 CB LYS A 89 3.701 2.507 -13.152 1.00 70.34 C ATOM 1375 CG LYS A 89 4.336 1.130 -13.352 1.00 24.25 C ATOM 1376 CD LYS A 89 3.837 0.467 -14.635 1.00 74.55 C ATOM 1377 CE LYS A 89 4.526 -0.869 -14.899 1.00 53.30 C ATOM 1378 NZ LYS A 89 5.971 -0.711 -15.223 1.00 2.25 N ATOM 0 H LYS A 89 2.659 1.978 -10.861 1.00 43.31 H new ATOM 0 HA LYS A 89 5.171 3.227 -11.722 1.00 30.12 H new ATOM 0 HB2 LYS A 89 2.617 2.404 -13.192 1.00 70.34 H new ATOM 0 HB3 LYS A 89 3.991 3.153 -13.981 1.00 70.34 H new ATOM 0 HG2 LYS A 89 5.421 1.230 -13.390 1.00 24.25 H new ATOM 0 HG3 LYS A 89 4.105 0.493 -12.498 1.00 24.25 H new ATOM 0 HD2 LYS A 89 2.760 0.311 -14.567 1.00 74.55 H new ATOM 0 HD3 LYS A 89 4.009 1.136 -15.478 1.00 74.55 H new ATOM 0 HE2 LYS A 89 4.421 -1.508 -14.022 1.00 53.30 H new ATOM 0 HE3 LYS A 89 4.025 -1.376 -15.724 1.00 53.30 H new ATOM 0 HZ1 LYS A 89 6.361 -1.626 -15.525 1.00 2.25 H new ATOM 0 HZ2 LYS A 89 6.081 -0.017 -15.990 1.00 2.25 H new ATOM 0 HZ3 LYS A 89 6.481 -0.379 -14.380 1.00 2.25 H new ATOM 1392 N ASN A 90 2.808 5.043 -10.835 1.00 70.53 N ATOM 1393 CA ASN A 90 2.284 6.419 -10.768 1.00 31.35 C ATOM 1394 C ASN A 90 3.376 7.426 -10.370 1.00 72.52 C ATOM 1395 O ASN A 90 3.451 8.525 -10.924 1.00 60.41 O ATOM 1396 CB ASN A 90 1.111 6.505 -9.789 1.00 44.23 C ATOM 1397 CG ASN A 90 -0.094 5.717 -10.264 1.00 61.02 C ATOM 1398 OD1 ASN A 90 -0.225 4.531 -9.988 1.00 65.53 O ATOM 1399 ND2 ASN A 90 -0.984 6.368 -10.981 1.00 12.14 N ATOM 0 H ASN A 90 2.524 4.442 -10.061 1.00 70.53 H new ATOM 0 HA ASN A 90 1.934 6.680 -11.767 1.00 31.35 H new ATOM 0 HB2 ASN A 90 1.426 6.131 -8.815 1.00 44.23 H new ATOM 0 HB3 ASN A 90 0.829 7.549 -9.654 1.00 44.23 H new ATOM 0 HD21 ASN A 90 -1.814 5.885 -11.325 1.00 12.14 H new ATOM 0 HD22 ASN A 90 -0.844 7.356 -11.193 1.00 12.14 H new ATOM 1406 N GLN A 91 4.224 7.048 -9.418 1.00 33.53 N ATOM 1407 CA GLN A 91 5.304 7.925 -8.954 1.00 62.11 C ATOM 1408 C GLN A 91 6.521 7.097 -8.512 1.00 71.40 C ATOM 1409 O GLN A 91 6.386 5.929 -8.151 1.00 1.23 O ATOM 1410 CB GLN A 91 4.805 8.815 -7.804 1.00 32.12 C ATOM 1411 CG GLN A 91 5.670 10.044 -7.553 1.00 3.00 C ATOM 1412 CD GLN A 91 5.145 10.918 -6.425 1.00 35.02 C ATOM 1413 OE1 GLN A 91 3.953 10.953 -6.145 1.00 45.23 O ATOM 1414 NE2 GLN A 91 6.032 11.639 -5.772 1.00 14.11 N ATOM 0 H GLN A 91 4.188 6.142 -8.951 1.00 33.53 H new ATOM 0 HA GLN A 91 5.613 8.566 -9.780 1.00 62.11 H new ATOM 0 HB2 GLN A 91 3.787 9.138 -8.023 1.00 32.12 H new ATOM 0 HB3 GLN A 91 4.761 8.221 -6.891 1.00 32.12 H new ATOM 0 HG2 GLN A 91 6.685 9.725 -7.316 1.00 3.00 H new ATOM 0 HG3 GLN A 91 5.727 10.635 -8.467 1.00 3.00 H new ATOM 0 HE21 GLN A 91 7.018 11.589 -6.028 1.00 14.11 H new ATOM 0 HE22 GLN A 91 5.733 12.248 -5.010 1.00 14.11 H new ATOM 1423 N ASN A 92 7.702 7.707 -8.542 1.00 11.04 N ATOM 1424 CA ASN A 92 8.951 6.990 -8.266 1.00 63.23 C ATOM 1425 C ASN A 92 9.351 7.056 -6.780 1.00 45.01 C ATOM 1426 O ASN A 92 8.699 7.717 -5.971 1.00 4.43 O ATOM 1427 CB ASN A 92 10.072 7.565 -9.137 1.00 63.42 C ATOM 1428 CG ASN A 92 9.698 7.603 -10.607 1.00 23.53 C ATOM 1429 OD1 ASN A 92 9.122 8.573 -11.086 1.00 73.44 O ATOM 1430 ND2 ASN A 92 10.031 6.559 -11.337 1.00 63.44 N ATOM 0 H ASN A 92 7.825 8.697 -8.754 1.00 11.04 H new ATOM 0 HA ASN A 92 8.789 5.939 -8.507 1.00 63.23 H new ATOM 0 HB2 ASN A 92 10.311 8.573 -8.799 1.00 63.42 H new ATOM 0 HB3 ASN A 92 10.973 6.965 -9.009 1.00 63.42 H new ATOM 0 HD21 ASN A 92 9.810 6.541 -12.333 1.00 63.44 H new ATOM 0 HD22 ASN A 92 10.510 5.768 -10.907 1.00 63.44 H new ATOM 1437 N SER A 93 10.435 6.353 -6.442 1.00 15.52 N ATOM 1438 CA SER A 93 10.972 6.323 -5.072 1.00 60.30 C ATOM 1439 C SER A 93 11.360 7.729 -4.588 1.00 4.13 C ATOM 1440 O SER A 93 12.155 8.420 -5.232 1.00 72.21 O ATOM 1441 CB SER A 93 12.198 5.397 -5.011 1.00 11.32 C ATOM 1442 OG SER A 93 12.725 5.283 -3.694 1.00 15.21 O ATOM 0 H SER A 93 10.966 5.789 -7.105 1.00 15.52 H new ATOM 0 HA SER A 93 10.190 5.943 -4.414 1.00 60.30 H new ATOM 0 HB2 SER A 93 11.922 4.408 -5.376 1.00 11.32 H new ATOM 0 HB3 SER A 93 12.972 5.778 -5.678 1.00 11.32 H new ATOM 0 HG SER A 93 12.095 5.676 -3.054 1.00 15.21 H new ATOM 1448 N TRP A 94 10.812 8.136 -3.445 1.00 61.52 N ATOM 1449 CA TRP A 94 11.031 9.488 -2.912 1.00 33.02 C ATOM 1450 C TRP A 94 12.016 9.480 -1.731 1.00 23.34 C ATOM 1451 O TRP A 94 12.615 8.452 -1.411 1.00 24.01 O ATOM 1452 CB TRP A 94 9.691 10.116 -2.482 1.00 3.31 C ATOM 1453 CG TRP A 94 9.041 9.450 -1.294 1.00 12.33 C ATOM 1454 CD1 TRP A 94 9.075 9.875 0.008 1.00 33.53 C ATOM 1455 CD2 TRP A 94 8.254 8.249 -1.300 1.00 73.02 C ATOM 1456 NE1 TRP A 94 8.361 9.014 0.805 1.00 5.32 N ATOM 1457 CE2 TRP A 94 7.849 8.006 0.027 1.00 30.24 C ATOM 1458 CE3 TRP A 94 7.853 7.355 -2.300 1.00 34.42 C ATOM 1459 CZ2 TRP A 94 7.064 6.909 0.377 1.00 44.21 C ATOM 1460 CZ3 TRP A 94 7.075 6.267 -1.948 1.00 23.53 C ATOM 1461 CH2 TRP A 94 6.689 6.052 -0.620 1.00 15.44 C ATOM 0 H TRP A 94 10.211 7.550 -2.865 1.00 61.52 H new ATOM 0 HA TRP A 94 11.470 10.090 -3.708 1.00 33.02 H new ATOM 0 HB2 TRP A 94 9.856 11.168 -2.248 1.00 3.31 H new ATOM 0 HB3 TRP A 94 9.001 10.081 -3.325 1.00 3.31 H new ATOM 0 HD1 TRP A 94 9.589 10.759 0.357 1.00 33.53 H new ATOM 0 HE1 TRP A 94 8.232 9.108 1.812 1.00 5.32 H new ATOM 0 HE3 TRP A 94 8.146 7.512 -3.328 1.00 34.42 H new ATOM 0 HZ2 TRP A 94 6.762 6.742 1.400 1.00 44.21 H new ATOM 0 HZ3 TRP A 94 6.760 5.571 -2.711 1.00 23.53 H new ATOM 0 HH2 TRP A 94 6.083 5.192 -0.378 1.00 15.44 H new ATOM 1472 N GLY A 95 12.184 10.636 -1.091 1.00 43.24 N ATOM 1473 CA GLY A 95 13.065 10.739 0.069 1.00 52.01 C ATOM 1474 C GLY A 95 12.791 11.983 0.910 1.00 32.51 C ATOM 1475 O GLY A 95 13.287 13.066 0.604 1.00 5.15 O ATOM 0 H GLY A 95 11.725 11.508 -1.354 1.00 43.24 H new ATOM 0 HA2 GLY A 95 12.945 9.852 0.691 1.00 52.01 H new ATOM 0 HA3 GLY A 95 14.102 10.754 -0.268 1.00 52.01 H new ATOM 1479 N THR A 96 11.993 11.831 1.962 1.00 61.50 N ATOM 1480 CA THR A 96 11.647 12.954 2.848 1.00 33.13 C ATOM 1481 C THR A 96 10.979 12.465 4.137 1.00 63.42 C ATOM 1482 O THR A 96 10.464 11.347 4.194 1.00 54.55 O ATOM 1483 CB THR A 96 10.704 13.974 2.160 1.00 51.44 C ATOM 1484 OG1 THR A 96 10.362 15.025 3.079 1.00 20.31 O ATOM 1485 CG2 THR A 96 9.428 13.298 1.661 1.00 33.21 C ATOM 0 H THR A 96 11.569 10.942 2.228 1.00 61.50 H new ATOM 0 HA THR A 96 12.589 13.448 3.086 1.00 33.13 H new ATOM 0 HB THR A 96 11.231 14.393 1.302 1.00 51.44 H new ATOM 0 HG1 THR A 96 10.204 15.855 2.583 1.00 20.31 H new ATOM 0 HG21 THR A 96 8.787 14.039 1.183 1.00 33.21 H new ATOM 0 HG22 THR A 96 9.685 12.522 0.940 1.00 33.21 H new ATOM 0 HG23 THR A 96 8.900 12.850 2.503 1.00 33.21 H new ATOM 1493 N GLY A 97 10.987 13.311 5.167 1.00 44.04 N ATOM 1494 CA GLY A 97 10.376 12.955 6.447 1.00 14.03 C ATOM 1495 C GLY A 97 8.958 13.500 6.607 1.00 41.20 C ATOM 1496 O GLY A 97 8.340 13.347 7.665 1.00 14.42 O ATOM 0 H GLY A 97 11.406 14.240 5.141 1.00 44.04 H new ATOM 0 HA2 GLY A 97 10.354 11.869 6.543 1.00 14.03 H new ATOM 0 HA3 GLY A 97 10.998 13.334 7.258 1.00 14.03 H new ATOM 1500 N GLU A 98 8.443 14.137 5.556 1.00 64.31 N ATOM 1501 CA GLU A 98 7.091 14.708 5.577 1.00 61.43 C ATOM 1502 C GLU A 98 6.001 13.623 5.616 1.00 50.14 C ATOM 1503 O GLU A 98 6.221 12.481 5.202 1.00 21.13 O ATOM 1504 CB GLU A 98 6.875 15.621 4.359 1.00 2.03 C ATOM 1505 CG GLU A 98 7.804 16.833 4.320 1.00 62.31 C ATOM 1506 CD GLU A 98 7.692 17.702 5.564 1.00 5.12 C ATOM 1507 OE1 GLU A 98 6.666 18.397 5.720 1.00 0.54 O ATOM 1508 OE2 GLU A 98 8.621 17.681 6.401 1.00 11.32 O ATOM 0 H GLU A 98 8.941 14.272 4.676 1.00 64.31 H new ATOM 0 HA GLU A 98 7.007 15.294 6.492 1.00 61.43 H new ATOM 0 HB2 GLU A 98 7.018 15.037 3.450 1.00 2.03 H new ATOM 0 HB3 GLU A 98 5.842 15.968 4.356 1.00 2.03 H new ATOM 0 HG2 GLU A 98 8.834 16.492 4.212 1.00 62.31 H new ATOM 0 HG3 GLU A 98 7.573 17.434 3.441 1.00 62.31 H new ATOM 1515 N ASP A 99 4.822 13.999 6.111 1.00 23.13 N ATOM 1516 CA ASP A 99 3.694 13.072 6.247 1.00 42.33 C ATOM 1517 C ASP A 99 3.285 12.430 4.908 1.00 32.43 C ATOM 1518 O ASP A 99 2.449 12.967 4.176 1.00 33.10 O ATOM 1519 CB ASP A 99 2.480 13.790 6.867 1.00 31.14 C ATOM 1520 CG ASP A 99 2.295 13.472 8.339 1.00 11.34 C ATOM 1521 OD1 ASP A 99 2.859 14.192 9.187 1.00 24.34 O ATOM 1522 OD2 ASP A 99 1.571 12.500 8.652 1.00 42.23 O ATOM 0 H ASP A 99 4.620 14.947 6.428 1.00 23.13 H new ATOM 0 HA ASP A 99 4.028 12.270 6.905 1.00 42.33 H new ATOM 0 HB2 ASP A 99 2.600 14.867 6.745 1.00 31.14 H new ATOM 0 HB3 ASP A 99 1.579 13.506 6.323 1.00 31.14 H new ATOM 1527 N VAL A 100 3.885 11.290 4.583 1.00 42.23 N ATOM 1528 CA VAL A 100 3.394 10.462 3.483 1.00 11.01 C ATOM 1529 C VAL A 100 2.205 9.611 3.967 1.00 62.51 C ATOM 1530 O VAL A 100 2.340 8.438 4.318 1.00 13.01 O ATOM 1531 CB VAL A 100 4.513 9.572 2.871 1.00 30.23 C ATOM 1532 CG1 VAL A 100 5.186 8.701 3.932 1.00 13.24 C ATOM 1533 CG2 VAL A 100 3.968 8.719 1.720 1.00 54.42 C ATOM 0 H VAL A 100 4.706 10.919 5.060 1.00 42.23 H new ATOM 0 HA VAL A 100 3.058 11.124 2.685 1.00 11.01 H new ATOM 0 HB VAL A 100 5.276 10.238 2.467 1.00 30.23 H new ATOM 0 HG11 VAL A 100 5.962 8.094 3.466 1.00 13.24 H new ATOM 0 HG12 VAL A 100 5.633 9.338 4.695 1.00 13.24 H new ATOM 0 HG13 VAL A 100 4.443 8.050 4.393 1.00 13.24 H new ATOM 0 HG21 VAL A 100 4.771 8.106 1.310 1.00 54.42 H new ATOM 0 HG22 VAL A 100 3.172 8.074 2.091 1.00 54.42 H new ATOM 0 HG23 VAL A 100 3.574 9.370 0.940 1.00 54.42 H new ATOM 1543 N LYS A 101 1.037 10.241 4.029 1.00 2.13 N ATOM 1544 CA LYS A 101 -0.159 9.613 4.595 1.00 62.02 C ATOM 1545 C LYS A 101 -0.935 8.825 3.530 1.00 52.41 C ATOM 1546 O LYS A 101 -1.595 9.401 2.664 1.00 41.51 O ATOM 1547 CB LYS A 101 -1.046 10.685 5.251 1.00 10.02 C ATOM 1548 CG LYS A 101 -2.298 10.134 5.930 1.00 45.11 C ATOM 1549 CD LYS A 101 -3.019 11.190 6.777 1.00 11.34 C ATOM 1550 CE LYS A 101 -2.343 11.430 8.133 1.00 1.35 C ATOM 1551 NZ LYS A 101 -1.043 12.152 8.025 1.00 13.31 N ATOM 0 H LYS A 101 0.889 11.193 3.693 1.00 2.13 H new ATOM 0 HA LYS A 101 0.151 8.898 5.358 1.00 62.02 H new ATOM 0 HB2 LYS A 101 -0.455 11.227 5.989 1.00 10.02 H new ATOM 0 HB3 LYS A 101 -1.346 11.406 4.491 1.00 10.02 H new ATOM 0 HG2 LYS A 101 -2.981 9.753 5.171 1.00 45.11 H new ATOM 0 HG3 LYS A 101 -2.023 9.291 6.563 1.00 45.11 H new ATOM 0 HD2 LYS A 101 -3.056 12.129 6.224 1.00 11.34 H new ATOM 0 HD3 LYS A 101 -4.050 10.875 6.941 1.00 11.34 H new ATOM 0 HE2 LYS A 101 -3.017 12.003 8.771 1.00 1.35 H new ATOM 0 HE3 LYS A 101 -2.178 10.471 8.624 1.00 1.35 H new ATOM 0 HZ1 LYS A 101 -0.926 12.781 8.845 1.00 13.31 H new ATOM 0 HZ2 LYS A 101 -0.264 11.463 8.003 1.00 13.31 H new ATOM 0 HZ3 LYS A 101 -1.031 12.716 7.152 1.00 13.31 H new ATOM 1565 N VAL A 102 -0.831 7.504 3.603 1.00 74.53 N ATOM 1566 CA VAL A 102 -1.487 6.610 2.646 1.00 1.40 C ATOM 1567 C VAL A 102 -2.887 6.201 3.127 1.00 13.44 C ATOM 1568 O VAL A 102 -3.048 5.656 4.222 1.00 44.15 O ATOM 1569 CB VAL A 102 -0.637 5.338 2.408 1.00 64.14 C ATOM 1570 CG1 VAL A 102 -1.314 4.403 1.410 1.00 33.30 C ATOM 1571 CG2 VAL A 102 0.769 5.712 1.939 1.00 21.24 C ATOM 0 H VAL A 102 -0.293 7.020 4.322 1.00 74.53 H new ATOM 0 HA VAL A 102 -1.585 7.160 1.710 1.00 1.40 H new ATOM 0 HB VAL A 102 -0.551 4.806 3.355 1.00 64.14 H new ATOM 0 HG11 VAL A 102 -0.695 3.518 1.262 1.00 33.30 H new ATOM 0 HG12 VAL A 102 -2.289 4.103 1.795 1.00 33.30 H new ATOM 0 HG13 VAL A 102 -1.443 4.918 0.458 1.00 33.30 H new ATOM 0 HG21 VAL A 102 1.352 4.805 1.777 1.00 21.24 H new ATOM 0 HG22 VAL A 102 0.704 6.273 1.007 1.00 21.24 H new ATOM 0 HG23 VAL A 102 1.255 6.325 2.698 1.00 21.24 H new ATOM 1581 N ILE A 103 -3.893 6.471 2.300 1.00 0.34 N ATOM 1582 CA ILE A 103 -5.285 6.139 2.618 1.00 13.40 C ATOM 1583 C ILE A 103 -5.769 4.939 1.783 1.00 30.43 C ATOM 1584 O ILE A 103 -5.815 5.010 0.555 1.00 32.15 O ATOM 1585 CB ILE A 103 -6.221 7.345 2.338 1.00 12.31 C ATOM 1586 CG1 ILE A 103 -5.640 8.645 2.928 1.00 31.55 C ATOM 1587 CG2 ILE A 103 -7.618 7.079 2.900 1.00 61.33 C ATOM 1588 CD1 ILE A 103 -5.515 8.646 4.438 1.00 14.45 C ATOM 0 H ILE A 103 -3.771 6.924 1.394 1.00 0.34 H new ATOM 0 HA ILE A 103 -5.321 5.886 3.678 1.00 13.40 H new ATOM 0 HB ILE A 103 -6.298 7.470 1.258 1.00 12.31 H new ATOM 0 HG12 ILE A 103 -4.655 8.818 2.494 1.00 31.55 H new ATOM 0 HG13 ILE A 103 -6.272 9.480 2.627 1.00 31.55 H new ATOM 0 HG21 ILE A 103 -8.262 7.934 2.695 1.00 61.33 H new ATOM 0 HG22 ILE A 103 -8.036 6.189 2.429 1.00 61.33 H new ATOM 0 HG23 ILE A 103 -7.553 6.923 3.977 1.00 61.33 H new ATOM 0 HD11 ILE A 103 -5.098 9.598 4.768 1.00 14.45 H new ATOM 0 HD12 ILE A 103 -6.499 8.507 4.885 1.00 14.45 H new ATOM 0 HD13 ILE A 103 -4.857 7.834 4.749 1.00 14.45 H new ATOM 1600 N LEU A 104 -6.125 3.841 2.449 1.00 54.12 N ATOM 1601 CA LEU A 104 -6.631 2.647 1.755 1.00 43.33 C ATOM 1602 C LEU A 104 -8.163 2.671 1.646 1.00 0.25 C ATOM 1603 O LEU A 104 -8.867 2.736 2.655 1.00 34.14 O ATOM 1604 CB LEU A 104 -6.185 1.369 2.480 1.00 30.00 C ATOM 1605 CG LEU A 104 -4.668 1.119 2.515 1.00 5.51 C ATOM 1606 CD1 LEU A 104 -4.366 -0.200 3.219 1.00 34.30 C ATOM 1607 CD2 LEU A 104 -4.082 1.132 1.102 1.00 53.25 C ATOM 0 H LEU A 104 -6.074 3.749 3.464 1.00 54.12 H new ATOM 0 HA LEU A 104 -6.213 2.653 0.748 1.00 43.33 H new ATOM 0 HB2 LEU A 104 -6.552 1.408 3.506 1.00 30.00 H new ATOM 0 HB3 LEU A 104 -6.665 0.515 2.002 1.00 30.00 H new ATOM 0 HG LEU A 104 -4.197 1.925 3.078 1.00 5.51 H new ATOM 0 HD11 LEU A 104 -3.289 -0.365 3.237 1.00 34.30 H new ATOM 0 HD12 LEU A 104 -4.744 -0.162 4.241 1.00 34.30 H new ATOM 0 HD13 LEU A 104 -4.849 -1.017 2.683 1.00 34.30 H new ATOM 0 HD21 LEU A 104 -3.008 0.953 1.152 1.00 53.25 H new ATOM 0 HD22 LEU A 104 -4.553 0.350 0.506 1.00 53.25 H new ATOM 0 HD23 LEU A 104 -4.267 2.102 0.640 1.00 53.25 H new ATOM 1619 N LYS A 105 -8.675 2.616 0.416 1.00 61.01 N ATOM 1620 CA LYS A 105 -10.126 2.605 0.174 1.00 65.41 C ATOM 1621 C LYS A 105 -10.523 1.475 -0.786 1.00 11.22 C ATOM 1622 O LYS A 105 -9.667 0.851 -1.409 1.00 24.32 O ATOM 1623 CB LYS A 105 -10.581 3.949 -0.412 1.00 25.23 C ATOM 1624 CG LYS A 105 -10.210 5.155 0.443 1.00 40.40 C ATOM 1625 CD LYS A 105 -10.777 6.450 -0.130 1.00 54.43 C ATOM 1626 CE LYS A 105 -10.352 7.662 0.689 1.00 44.41 C ATOM 1627 NZ LYS A 105 -10.977 8.917 0.198 1.00 65.41 N ATOM 0 H LYS A 105 -8.109 2.578 -0.432 1.00 61.01 H new ATOM 0 HA LYS A 105 -10.617 2.438 1.133 1.00 65.41 H new ATOM 0 HB2 LYS A 105 -10.142 4.069 -1.402 1.00 25.23 H new ATOM 0 HB3 LYS A 105 -11.663 3.929 -0.544 1.00 25.23 H new ATOM 0 HG2 LYS A 105 -10.584 5.011 1.457 1.00 40.40 H new ATOM 0 HG3 LYS A 105 -9.125 5.232 0.512 1.00 40.40 H new ATOM 0 HD2 LYS A 105 -10.440 6.570 -1.160 1.00 54.43 H new ATOM 0 HD3 LYS A 105 -11.865 6.391 -0.155 1.00 54.43 H new ATOM 0 HE2 LYS A 105 -10.624 7.507 1.733 1.00 44.41 H new ATOM 0 HE3 LYS A 105 -9.267 7.760 0.654 1.00 44.41 H new ATOM 0 HZ1 LYS A 105 -10.660 9.715 0.784 1.00 65.41 H new ATOM 0 HZ2 LYS A 105 -10.697 9.081 -0.790 1.00 65.41 H new ATOM 0 HZ3 LYS A 105 -12.012 8.835 0.256 1.00 65.41 H new ATOM 1641 N ASN A 106 -11.825 1.209 -0.895 1.00 42.21 N ATOM 1642 CA ASN A 106 -12.338 0.270 -1.901 1.00 52.22 C ATOM 1643 C ASN A 106 -12.838 1.015 -3.152 1.00 45.32 C ATOM 1644 O ASN A 106 -12.882 2.246 -3.180 1.00 73.02 O ATOM 1645 CB ASN A 106 -13.464 -0.590 -1.320 1.00 71.03 C ATOM 1646 CG ASN A 106 -12.992 -1.498 -0.204 1.00 74.41 C ATOM 1647 OD1 ASN A 106 -13.039 -1.141 0.965 1.00 23.52 O ATOM 1648 ND2 ASN A 106 -12.526 -2.679 -0.554 1.00 31.40 N ATOM 0 H ASN A 106 -12.543 1.627 -0.303 1.00 42.21 H new ATOM 0 HA ASN A 106 -11.514 -0.381 -2.193 1.00 52.22 H new ATOM 0 HB2 ASN A 106 -14.254 0.060 -0.944 1.00 71.03 H new ATOM 0 HB3 ASN A 106 -13.900 -1.195 -2.115 1.00 71.03 H new ATOM 0 HD21 ASN A 106 -12.191 -3.327 0.159 1.00 31.40 H new ATOM 0 HD22 ASN A 106 -12.501 -2.946 -1.538 1.00 31.40 H new ATOM 1655 N SER A 107 -13.243 0.257 -4.170 1.00 3.12 N ATOM 1656 CA SER A 107 -13.626 0.825 -5.476 1.00 75.03 C ATOM 1657 C SER A 107 -14.775 1.850 -5.368 1.00 11.41 C ATOM 1658 O SER A 107 -14.821 2.815 -6.128 1.00 13.44 O ATOM 1659 CB SER A 107 -14.021 -0.296 -6.447 1.00 10.44 C ATOM 1660 OG SER A 107 -14.099 0.179 -7.785 1.00 41.45 O ATOM 0 H SER A 107 -13.317 -0.759 -4.121 1.00 3.12 H new ATOM 0 HA SER A 107 -12.753 1.356 -5.856 1.00 75.03 H new ATOM 0 HB2 SER A 107 -13.292 -1.104 -6.388 1.00 10.44 H new ATOM 0 HB3 SER A 107 -14.983 -0.713 -6.151 1.00 10.44 H new ATOM 0 HG SER A 107 -14.351 -0.558 -8.380 1.00 41.45 H new ATOM 1666 N GLN A 108 -15.699 1.648 -4.425 1.00 41.15 N ATOM 1667 CA GLN A 108 -16.830 2.577 -4.252 1.00 12.53 C ATOM 1668 C GLN A 108 -16.414 3.887 -3.552 1.00 44.21 C ATOM 1669 O GLN A 108 -17.249 4.769 -3.329 1.00 10.42 O ATOM 1670 CB GLN A 108 -17.971 1.915 -3.463 1.00 61.51 C ATOM 1671 CG GLN A 108 -18.620 0.731 -4.175 1.00 15.45 C ATOM 1672 CD GLN A 108 -19.844 0.207 -3.437 1.00 72.11 C ATOM 1673 OE1 GLN A 108 -20.547 0.958 -2.767 1.00 12.35 O ATOM 1674 NE2 GLN A 108 -20.116 -1.078 -3.557 1.00 32.21 N ATOM 0 H GLN A 108 -15.692 0.862 -3.775 1.00 41.15 H new ATOM 0 HA GLN A 108 -17.178 2.827 -5.254 1.00 12.53 H new ATOM 0 HB2 GLN A 108 -17.585 1.579 -2.501 1.00 61.51 H new ATOM 0 HB3 GLN A 108 -18.736 2.663 -3.255 1.00 61.51 H new ATOM 0 HG2 GLN A 108 -18.908 1.030 -5.183 1.00 15.45 H new ATOM 0 HG3 GLN A 108 -17.890 -0.072 -4.277 1.00 15.45 H new ATOM 0 HE21 GLN A 108 -19.513 -1.677 -4.121 1.00 32.21 H new ATOM 0 HE22 GLN A 108 -20.930 -1.473 -3.086 1.00 32.21 H new ATOM 1683 N GLY A 109 -15.130 4.016 -3.217 1.00 24.23 N ATOM 1684 CA GLY A 109 -14.639 5.223 -2.549 1.00 12.32 C ATOM 1685 C GLY A 109 -14.871 5.216 -1.041 1.00 2.54 C ATOM 1686 O GLY A 109 -15.052 6.267 -0.423 1.00 30.00 O ATOM 0 H GLY A 109 -14.417 3.308 -3.394 1.00 24.23 H new ATOM 0 HA2 GLY A 109 -13.572 5.329 -2.745 1.00 12.32 H new ATOM 0 HA3 GLY A 109 -15.131 6.094 -2.981 1.00 12.32 H new ATOM 1690 N GLU A 110 -14.867 4.027 -0.448 1.00 1.21 N ATOM 1691 CA GLU A 110 -15.081 3.869 0.996 1.00 61.23 C ATOM 1692 C GLU A 110 -13.750 3.600 1.723 1.00 61.43 C ATOM 1693 O GLU A 110 -12.995 2.701 1.350 1.00 51.40 O ATOM 1694 CB GLU A 110 -16.081 2.731 1.243 1.00 42.50 C ATOM 1695 CG GLU A 110 -15.645 1.384 0.675 1.00 13.24 C ATOM 1696 CD GLU A 110 -16.755 0.344 0.688 1.00 33.14 C ATOM 1697 OE1 GLU A 110 -16.952 -0.319 1.727 1.00 51.13 O ATOM 1698 OE2 GLU A 110 -17.434 0.180 -0.351 1.00 24.32 O ATOM 0 H GLU A 110 -14.717 3.149 -0.945 1.00 1.21 H new ATOM 0 HA GLU A 110 -15.492 4.795 1.398 1.00 61.23 H new ATOM 0 HB2 GLU A 110 -16.238 2.627 2.317 1.00 42.50 H new ATOM 0 HB3 GLU A 110 -17.041 3.004 0.805 1.00 42.50 H new ATOM 0 HG2 GLU A 110 -15.298 1.523 -0.349 1.00 13.24 H new ATOM 0 HG3 GLU A 110 -14.798 1.010 1.251 1.00 13.24 H new ATOM 1705 N GLU A 111 -13.463 4.393 2.754 1.00 51.01 N ATOM 1706 CA GLU A 111 -12.187 4.300 3.475 1.00 4.41 C ATOM 1707 C GLU A 111 -12.152 3.093 4.431 1.00 45.11 C ATOM 1708 O GLU A 111 -13.137 2.791 5.108 1.00 52.00 O ATOM 1709 CB GLU A 111 -11.933 5.600 4.254 1.00 12.30 C ATOM 1710 CG GLU A 111 -10.554 5.677 4.900 1.00 10.51 C ATOM 1711 CD GLU A 111 -10.350 6.954 5.703 1.00 41.22 C ATOM 1712 OE1 GLU A 111 -10.174 8.031 5.089 1.00 40.34 O ATOM 1713 OE2 GLU A 111 -10.371 6.892 6.950 1.00 44.34 O ATOM 0 H GLU A 111 -14.095 5.109 3.112 1.00 51.01 H new ATOM 0 HA GLU A 111 -11.398 4.154 2.737 1.00 4.41 H new ATOM 0 HB2 GLU A 111 -12.054 6.446 3.578 1.00 12.30 H new ATOM 0 HB3 GLU A 111 -12.692 5.701 5.030 1.00 12.30 H new ATOM 0 HG2 GLU A 111 -10.415 4.816 5.554 1.00 10.51 H new ATOM 0 HG3 GLU A 111 -9.790 5.615 4.125 1.00 10.51 H new ATOM 1720 N VAL A 112 -11.010 2.407 4.473 1.00 13.41 N ATOM 1721 CA VAL A 112 -10.821 1.248 5.357 1.00 44.12 C ATOM 1722 C VAL A 112 -9.773 1.540 6.447 1.00 15.12 C ATOM 1723 O VAL A 112 -10.081 1.527 7.640 1.00 4.41 O ATOM 1724 CB VAL A 112 -10.383 -0.004 4.551 1.00 12.14 C ATOM 1725 CG1 VAL A 112 -10.238 -1.226 5.461 1.00 30.12 C ATOM 1726 CG2 VAL A 112 -11.371 -0.282 3.421 1.00 33.21 C ATOM 0 H VAL A 112 -10.195 2.633 3.903 1.00 13.41 H new ATOM 0 HA VAL A 112 -11.782 1.051 5.833 1.00 44.12 H new ATOM 0 HB VAL A 112 -9.406 0.200 4.113 1.00 12.14 H new ATOM 0 HG11 VAL A 112 -9.930 -2.087 4.868 1.00 30.12 H new ATOM 0 HG12 VAL A 112 -9.487 -1.024 6.224 1.00 30.12 H new ATOM 0 HG13 VAL A 112 -11.194 -1.438 5.940 1.00 30.12 H new ATOM 0 HG21 VAL A 112 -11.050 -1.163 2.865 1.00 33.21 H new ATOM 0 HG22 VAL A 112 -12.362 -0.458 3.839 1.00 33.21 H new ATOM 0 HG23 VAL A 112 -11.408 0.577 2.750 1.00 33.21 H new ATOM 1736 N ALA A 113 -8.536 1.809 6.030 1.00 62.45 N ATOM 1737 CA ALA A 113 -7.440 2.084 6.970 1.00 4.15 C ATOM 1738 C ALA A 113 -6.465 3.130 6.410 1.00 11.15 C ATOM 1739 O ALA A 113 -6.443 3.388 5.206 1.00 53.42 O ATOM 1740 CB ALA A 113 -6.697 0.794 7.301 1.00 0.41 C ATOM 0 H ALA A 113 -8.264 1.843 5.048 1.00 62.45 H new ATOM 0 HA ALA A 113 -7.876 2.492 7.882 1.00 4.15 H new ATOM 0 HB1 ALA A 113 -5.887 1.009 7.998 1.00 0.41 H new ATOM 0 HB2 ALA A 113 -7.387 0.083 7.755 1.00 0.41 H new ATOM 0 HB3 ALA A 113 -6.285 0.367 6.387 1.00 0.41 H new ATOM 1746 N GLN A 114 -5.657 3.727 7.286 1.00 1.11 N ATOM 1747 CA GLN A 114 -4.672 4.734 6.868 1.00 3.42 C ATOM 1748 C GLN A 114 -3.451 4.761 7.801 1.00 12.24 C ATOM 1749 O GLN A 114 -3.524 4.331 8.957 1.00 72.23 O ATOM 1750 CB GLN A 114 -5.320 6.125 6.808 1.00 61.44 C ATOM 1751 CG GLN A 114 -5.915 6.603 8.130 1.00 41.04 C ATOM 1752 CD GLN A 114 -6.540 7.985 8.020 1.00 3.40 C ATOM 1753 OE1 GLN A 114 -5.884 9.000 8.235 1.00 73.33 O ATOM 1754 NE2 GLN A 114 -7.811 8.038 7.678 1.00 2.41 N ATOM 0 H GLN A 114 -5.662 3.534 8.288 1.00 1.11 H new ATOM 0 HA GLN A 114 -4.324 4.456 5.873 1.00 3.42 H new ATOM 0 HB2 GLN A 114 -4.572 6.846 6.479 1.00 61.44 H new ATOM 0 HB3 GLN A 114 -6.106 6.114 6.053 1.00 61.44 H new ATOM 0 HG2 GLN A 114 -6.670 5.891 8.463 1.00 41.04 H new ATOM 0 HG3 GLN A 114 -5.135 6.620 8.891 1.00 41.04 H new ATOM 0 HE21 GLN A 114 -8.329 7.176 7.506 1.00 2.41 H new ATOM 0 HE22 GLN A 114 -8.277 8.941 7.585 1.00 2.41 H new ATOM 1763 N ARG A 115 -2.330 5.270 7.289 1.00 71.42 N ATOM 1764 CA ARG A 115 -1.085 5.368 8.064 1.00 42.32 C ATOM 1765 C ARG A 115 -0.086 6.327 7.385 1.00 75.43 C ATOM 1766 O ARG A 115 -0.162 6.559 6.178 1.00 61.41 O ATOM 1767 CB ARG A 115 -0.453 3.972 8.232 1.00 15.41 C ATOM 1768 CG ARG A 115 0.812 3.954 9.084 1.00 44.51 C ATOM 1769 CD ARG A 115 1.369 2.544 9.247 1.00 74.14 C ATOM 1770 NE ARG A 115 0.463 1.665 9.990 1.00 50.34 N ATOM 1771 CZ ARG A 115 0.837 0.555 10.575 1.00 3.52 C ATOM 1772 NH1 ARG A 115 2.073 0.172 10.533 1.00 35.12 N ATOM 1773 NH2 ARG A 115 -0.027 -0.163 11.212 1.00 72.35 N ATOM 0 H ARG A 115 -2.255 5.624 6.335 1.00 71.42 H new ATOM 0 HA ARG A 115 -1.326 5.770 9.048 1.00 42.32 H new ATOM 0 HB2 ARG A 115 -1.189 3.305 8.681 1.00 15.41 H new ATOM 0 HB3 ARG A 115 -0.219 3.571 7.246 1.00 15.41 H new ATOM 0 HG2 ARG A 115 1.568 4.592 8.625 1.00 44.51 H new ATOM 0 HG3 ARG A 115 0.594 4.374 10.066 1.00 44.51 H new ATOM 0 HD2 ARG A 115 1.559 2.116 8.263 1.00 74.14 H new ATOM 0 HD3 ARG A 115 2.327 2.593 9.764 1.00 74.14 H new ATOM 0 HE ARG A 115 -0.519 1.934 10.056 1.00 50.34 H new ATOM 0 HH11 ARG A 115 2.765 0.737 10.041 1.00 35.12 H new ATOM 0 HH12 ARG A 115 2.354 -0.694 10.992 1.00 35.12 H new ATOM 0 HH21 ARG A 115 -1.001 0.135 11.260 1.00 72.35 H new ATOM 0 HH22 ARG A 115 0.265 -1.028 11.667 1.00 72.35 H new ATOM 1787 N SER A 116 0.840 6.890 8.164 1.00 32.21 N ATOM 1788 CA SER A 116 1.862 7.805 7.625 1.00 64.55 C ATOM 1789 C SER A 116 3.226 7.577 8.297 1.00 75.14 C ATOM 1790 O SER A 116 3.460 6.527 8.905 1.00 24.21 O ATOM 1791 CB SER A 116 1.424 9.266 7.815 1.00 65.55 C ATOM 1792 OG SER A 116 1.336 9.618 9.188 1.00 43.31 O ATOM 0 H SER A 116 0.908 6.732 9.169 1.00 32.21 H new ATOM 0 HA SER A 116 1.967 7.596 6.560 1.00 64.55 H new ATOM 0 HB2 SER A 116 2.134 9.926 7.316 1.00 65.55 H new ATOM 0 HB3 SER A 116 0.456 9.420 7.338 1.00 65.55 H new ATOM 0 HG SER A 116 1.395 10.592 9.280 1.00 43.31 H new ATOM 1798 N THR A 117 4.128 8.553 8.174 1.00 4.12 N ATOM 1799 CA THR A 117 5.449 8.477 8.808 1.00 32.33 C ATOM 1800 C THR A 117 5.346 8.398 10.338 1.00 63.32 C ATOM 1801 O THR A 117 5.230 9.416 11.023 1.00 60.11 O ATOM 1802 CB THR A 117 6.329 9.694 8.427 1.00 4.41 C ATOM 1803 OG1 THR A 117 5.573 10.906 8.568 1.00 53.22 O ATOM 1804 CG2 THR A 117 6.847 9.588 6.998 1.00 34.41 C ATOM 0 H THR A 117 3.969 9.408 7.640 1.00 4.12 H new ATOM 0 HA THR A 117 5.914 7.563 8.438 1.00 32.33 H new ATOM 0 HB THR A 117 7.186 9.706 9.101 1.00 4.41 H new ATOM 0 HG1 THR A 117 5.151 10.927 9.452 1.00 53.22 H new ATOM 0 HG21 THR A 117 7.460 10.459 6.768 1.00 34.41 H new ATOM 0 HG22 THR A 117 7.448 8.684 6.895 1.00 34.41 H new ATOM 0 HG23 THR A 117 6.004 9.544 6.308 1.00 34.41 H new ATOM 1812 N VAL A 118 5.368 7.180 10.870 1.00 43.40 N ATOM 1813 CA VAL A 118 5.347 6.977 12.321 1.00 4.15 C ATOM 1814 C VAL A 118 6.661 7.461 12.961 1.00 74.25 C ATOM 1815 O VAL A 118 7.610 6.694 13.141 1.00 61.32 O ATOM 1816 CB VAL A 118 5.101 5.491 12.693 1.00 74.51 C ATOM 1817 CG1 VAL A 118 4.978 5.317 14.208 1.00 1.45 C ATOM 1818 CG2 VAL A 118 3.858 4.953 11.983 1.00 41.33 C ATOM 0 H VAL A 118 5.400 6.319 10.324 1.00 43.40 H new ATOM 0 HA VAL A 118 4.518 7.567 12.712 1.00 4.15 H new ATOM 0 HB VAL A 118 5.963 4.914 12.357 1.00 74.51 H new ATOM 0 HG11 VAL A 118 4.806 4.266 14.441 1.00 1.45 H new ATOM 0 HG12 VAL A 118 5.898 5.649 14.688 1.00 1.45 H new ATOM 0 HG13 VAL A 118 4.142 5.912 14.576 1.00 1.45 H new ATOM 0 HG21 VAL A 118 3.705 3.910 12.258 1.00 41.33 H new ATOM 0 HG22 VAL A 118 2.988 5.538 12.280 1.00 41.33 H new ATOM 0 HG23 VAL A 118 3.995 5.027 10.904 1.00 41.33 H new