USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 694 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 21 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0366) USER MOD Set 1.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.0873 X(o=0.087,f=0) USER MOD Single : A 23 MET CE :methyl -144:sc= -5.78! (180deg=-11.1!) USER MOD Single : A 25 HIS : no HD1:sc= -2.85! C(o=-2.9!,f=-4.8!) USER MOD Single : A 27 MET CE :methyl 157:sc= -1.8! (180deg=-2.8!) USER MOD Single : A 37 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.17) USER MOD Single : A 47 CYS SG : rot 95:sc= -6.95! USER MOD Single : A 48 SER OG : rot 18:sc= 0.305 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -2.15 K(o=-2.2,f=-3.4!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -160:sc= -0.41 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -76:sc= -3.59! USER MOD Single : A 82 GLN : amide:sc= -1.24 K(o=-1.2,f=-1.8) USER MOD Single : A 83 THR OG1 : rot 122:sc= 0.394 USER MOD Single : A 93 GLN : amide:sc= -1.91! C(o=-1.9!,f=-2.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0146 USER MOD Single : A 97 GLN :FLIP amide:sc= -5.13! C(o=-9.9!,f=-5.1!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -179:sc= -0.237! USER MOD ----------------------------------------------------------------- ATOM 219 N VAL A 17 9.335 10.565 -2.043 1.00 0.00 N ATOM 220 CA VAL A 17 8.532 9.582 -1.324 1.00 0.00 C ATOM 221 C VAL A 17 7.395 10.253 -0.561 1.00 0.00 C ATOM 222 O VAL A 17 7.550 11.358 -0.040 1.00 0.00 O ATOM 223 CB VAL A 17 9.391 8.771 -0.335 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.533 7.763 0.415 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.530 8.076 -1.065 1.00 0.00 C ATOM 0 HA VAL A 17 8.115 8.906 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 17 9.822 9.458 0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.157 7.199 1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.756 8.288 0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.071 7.078 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.127 7.508 -0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.122 7.400 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.159 8.822 -1.551 1.00 0.00 H new ATOM 235 N VAL A 18 6.253 9.577 -0.499 1.00 0.00 N ATOM 236 CA VAL A 18 5.089 10.107 0.202 1.00 0.00 C ATOM 237 C VAL A 18 4.673 9.191 1.348 1.00 0.00 C ATOM 238 O VAL A 18 4.770 7.968 1.244 1.00 0.00 O ATOM 239 CB VAL A 18 3.894 10.291 -0.753 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.363 10.830 -2.096 1.00 0.00 C ATOM 241 CG2 VAL A 18 3.145 8.979 -0.927 1.00 0.00 C ATOM 0 H VAL A 18 6.108 8.662 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 18 5.377 11.079 0.603 1.00 0.00 H new ATOM 0 HB VAL A 18 3.209 11.018 -0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.506 10.954 -2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.851 11.794 -1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.068 10.129 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.304 9.127 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.818 8.228 -1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.776 8.640 0.041 1.00 0.00 H new ATOM 251 N ILE A 19 4.209 9.791 2.439 1.00 0.00 N ATOM 252 CA ILE A 19 3.777 9.028 3.603 1.00 0.00 C ATOM 253 C ILE A 19 2.262 9.093 3.771 1.00 0.00 C ATOM 254 O ILE A 19 1.636 10.108 3.466 1.00 0.00 O ATOM 255 CB ILE A 19 4.447 9.540 4.892 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.947 9.742 4.667 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.203 8.569 6.038 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.620 8.567 3.992 1.00 0.00 C ATOM 0 H ILE A 19 4.123 10.802 2.541 1.00 0.00 H new ATOM 0 HA ILE A 19 4.078 7.994 3.433 1.00 0.00 H new ATOM 0 HB ILE A 19 4.006 10.501 5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.098 10.635 4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.429 9.924 5.628 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.683 8.945 6.942 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.131 8.471 6.210 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.620 7.594 5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.681 8.780 3.864 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.500 7.676 4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.164 8.398 3.016 1.00 0.00 H new ATOM 270 N ILE A 20 1.680 8.003 4.260 1.00 0.00 N ATOM 271 CA ILE A 20 0.239 7.937 4.472 1.00 0.00 C ATOM 272 C ILE A 20 -0.088 7.459 5.882 1.00 0.00 C ATOM 273 O ILE A 20 0.541 6.535 6.399 1.00 0.00 O ATOM 274 CB ILE A 20 -0.437 6.998 3.455 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.155 7.211 2.060 1.00 0.00 C ATOM 276 CG2 ILE A 20 -1.940 7.229 3.439 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.456 8.378 1.316 1.00 0.00 C ATOM 0 H ILE A 20 2.184 7.154 4.517 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.146 8.947 4.335 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.251 5.967 3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.229 7.371 2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.016 6.303 1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.404 6.558 2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.349 7.032 4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.146 8.262 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.011 8.469 0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.526 8.211 1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.294 9.295 1.882 1.00 0.00 H new ATOM 289 N LYS A 21 -1.077 8.094 6.502 1.00 0.00 N ATOM 290 CA LYS A 21 -1.492 7.734 7.852 1.00 0.00 C ATOM 291 C LYS A 21 -2.950 7.286 7.872 1.00 0.00 C ATOM 292 O LYS A 21 -3.729 7.636 6.987 1.00 0.00 O ATOM 293 CB LYS A 21 -1.298 8.919 8.801 1.00 0.00 C ATOM 294 CG LYS A 21 0.060 8.938 9.481 1.00 0.00 C ATOM 295 CD LYS A 21 1.188 9.052 8.470 1.00 0.00 C ATOM 296 CE LYS A 21 2.547 9.084 9.153 1.00 0.00 C ATOM 297 NZ LYS A 21 2.775 10.367 9.874 1.00 0.00 N ATOM 0 H LYS A 21 -1.607 8.862 6.090 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.871 6.903 8.187 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.428 9.846 8.243 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.076 8.894 9.564 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.108 9.776 10.177 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.187 8.028 10.068 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.146 8.209 7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.056 9.957 7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.620 8.254 9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.331 8.941 8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.753 10.399 10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.614 11.163 9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.117 10.436 10.676 1.00 0.00 H new ATOM 311 N ASN A 22 -3.312 6.511 8.889 1.00 0.00 N ATOM 312 CA ASN A 22 -4.677 6.017 9.025 1.00 0.00 C ATOM 313 C ASN A 22 -5.153 5.371 7.727 1.00 0.00 C ATOM 314 O ASN A 22 -6.189 5.746 7.179 1.00 0.00 O ATOM 315 CB ASN A 22 -5.619 7.158 9.415 1.00 0.00 C ATOM 316 CG ASN A 22 -6.828 6.670 10.189 1.00 0.00 C ATOM 317 OD1 ASN A 22 -6.726 6.317 11.364 1.00 0.00 O ATOM 318 ND2 ASN A 22 -7.982 6.649 9.532 1.00 0.00 N ATOM 0 H ASN A 22 -2.679 6.212 9.631 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.687 5.262 9.811 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.075 7.885 10.017 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.952 7.675 8.515 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.830 6.331 10.001 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.020 6.951 8.558 1.00 0.00 H new ATOM 325 N MET A 23 -4.389 4.397 7.243 1.00 0.00 N ATOM 326 CA MET A 23 -4.734 3.698 6.010 1.00 0.00 C ATOM 327 C MET A 23 -4.892 2.201 6.260 1.00 0.00 C ATOM 328 O MET A 23 -5.493 1.488 5.458 1.00 0.00 O ATOM 329 CB MET A 23 -3.663 3.938 4.945 1.00 0.00 C ATOM 330 CG MET A 23 -2.251 3.648 5.427 1.00 0.00 C ATOM 331 SD MET A 23 -1.155 3.127 4.093 1.00 0.00 S ATOM 332 CE MET A 23 -2.088 1.763 3.403 1.00 0.00 C ATOM 0 H MET A 23 -3.528 4.074 7.685 1.00 0.00 H new ATOM 0 HA MET A 23 -5.686 4.092 5.653 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.878 3.313 4.078 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.719 4.974 4.612 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.842 4.541 5.900 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.284 2.870 6.190 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.402 0.982 3.075 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.760 1.361 4.161 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.671 2.115 2.552 1.00 0.00 H new ATOM 342 N PHE A 24 -4.348 1.732 7.379 1.00 0.00 N ATOM 343 CA PHE A 24 -4.428 0.320 7.734 1.00 0.00 C ATOM 344 C PHE A 24 -4.248 0.126 9.236 1.00 0.00 C ATOM 345 O PHE A 24 -4.145 1.094 9.991 1.00 0.00 O ATOM 346 CB PHE A 24 -3.366 -0.479 6.975 1.00 0.00 C ATOM 347 CG PHE A 24 -1.959 -0.133 7.370 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.416 -0.623 8.547 1.00 0.00 C ATOM 349 CD2 PHE A 24 -1.179 0.681 6.565 1.00 0.00 C ATOM 350 CE1 PHE A 24 -0.122 -0.305 8.914 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.116 1.001 6.926 1.00 0.00 C ATOM 352 CZ PHE A 24 0.646 0.506 8.101 1.00 0.00 C ATOM 0 H PHE A 24 -3.847 2.309 8.055 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.417 -0.044 7.454 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.532 -1.543 7.146 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.488 -0.306 5.906 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.011 -1.260 9.185 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.588 1.070 5.644 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.288 -0.690 9.836 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.713 1.638 6.290 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.659 0.752 8.384 1.00 0.00 H new ATOM 362 N HIS A 25 -4.212 -1.132 9.665 1.00 0.00 N ATOM 363 CA HIS A 25 -4.045 -1.454 11.077 1.00 0.00 C ATOM 364 C HIS A 25 -3.332 -2.792 11.249 1.00 0.00 C ATOM 365 O HIS A 25 -3.563 -3.745 10.505 1.00 0.00 O ATOM 366 CB HIS A 25 -5.404 -1.494 11.777 1.00 0.00 C ATOM 367 CG HIS A 25 -5.344 -1.116 13.225 1.00 0.00 C ATOM 368 ND1 HIS A 25 -5.161 -2.036 14.236 1.00 0.00 N ATOM 369 CD2 HIS A 25 -5.441 0.091 13.831 1.00 0.00 C ATOM 370 CE1 HIS A 25 -5.150 -1.412 15.400 1.00 0.00 C ATOM 371 NE2 HIS A 25 -5.318 -0.120 15.182 1.00 0.00 N ATOM 0 H HIS A 25 -4.296 -1.945 9.054 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.433 -0.675 11.532 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.088 -0.820 11.262 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.819 -2.498 11.689 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.588 1.043 13.342 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -5.025 -1.879 16.366 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.351 0.603 15.901 1.00 0.00 H new ATOM 379 N PRO A 26 -2.445 -2.866 12.252 1.00 0.00 N ATOM 380 CA PRO A 26 -1.680 -4.082 12.544 1.00 0.00 C ATOM 381 C PRO A 26 -2.556 -5.196 13.106 1.00 0.00 C ATOM 382 O PRO A 26 -2.438 -6.353 12.704 1.00 0.00 O ATOM 383 CB PRO A 26 -0.665 -3.619 13.592 1.00 0.00 C ATOM 384 CG PRO A 26 -1.305 -2.443 14.246 1.00 0.00 C ATOM 385 CD PRO A 26 -2.120 -1.768 13.178 1.00 0.00 C ATOM 0 HA PRO A 26 -1.225 -4.503 11.647 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.454 -4.408 14.314 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.284 -3.347 13.131 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.935 -2.755 15.079 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.554 -1.765 14.651 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.019 -1.309 13.589 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.557 -0.977 12.682 1.00 0.00 H new ATOM 393 N MET A 27 -3.434 -4.840 14.038 1.00 0.00 N ATOM 394 CA MET A 27 -4.331 -5.810 14.654 1.00 0.00 C ATOM 395 C MET A 27 -5.293 -6.392 13.624 1.00 0.00 C ATOM 396 O MET A 27 -5.963 -7.393 13.881 1.00 0.00 O ATOM 397 CB MET A 27 -5.118 -5.159 15.793 1.00 0.00 C ATOM 398 CG MET A 27 -5.933 -6.147 16.611 1.00 0.00 C ATOM 399 SD MET A 27 -4.990 -7.615 17.068 1.00 0.00 S ATOM 400 CE MET A 27 -3.435 -6.878 17.564 1.00 0.00 C ATOM 0 H MET A 27 -3.543 -3.886 14.383 1.00 0.00 H new ATOM 0 HA MET A 27 -3.725 -6.621 15.058 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.423 -4.639 16.453 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.787 -4.405 15.377 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.293 -5.655 17.515 1.00 0.00 H new ATOM 0 HG3 MET A 27 -6.812 -6.447 16.040 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.909 -7.556 18.235 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.822 -6.693 16.682 1.00 0.00 H new ATOM 0 HE3 MET A 27 -3.626 -5.936 18.077 1.00 0.00 H new ATOM 410 N ASP A 28 -5.356 -5.760 12.457 1.00 0.00 N ATOM 411 CA ASP A 28 -6.236 -6.216 11.387 1.00 0.00 C ATOM 412 C ASP A 28 -5.582 -7.338 10.587 1.00 0.00 C ATOM 413 O ASP A 28 -6.265 -8.202 10.036 1.00 0.00 O ATOM 414 CB ASP A 28 -6.592 -5.053 10.460 1.00 0.00 C ATOM 415 CG ASP A 28 -7.836 -4.313 10.912 1.00 0.00 C ATOM 416 OD1 ASP A 28 -7.919 -3.968 12.109 1.00 0.00 O ATOM 417 OD2 ASP A 28 -8.725 -4.078 10.068 1.00 0.00 O ATOM 0 H ASP A 28 -4.808 -4.931 12.228 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.149 -6.602 11.841 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.754 -4.357 10.417 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.745 -5.431 9.449 1.00 0.00 H new ATOM 422 N PHE A 29 -4.254 -7.318 10.525 1.00 0.00 N ATOM 423 CA PHE A 29 -3.508 -8.333 9.790 1.00 0.00 C ATOM 424 C PHE A 29 -3.409 -9.625 10.596 1.00 0.00 C ATOM 425 O PHE A 29 -3.281 -10.711 10.032 1.00 0.00 O ATOM 426 CB PHE A 29 -2.106 -7.820 9.453 1.00 0.00 C ATOM 427 CG PHE A 29 -2.087 -6.396 8.975 1.00 0.00 C ATOM 428 CD1 PHE A 29 -2.966 -5.970 7.992 1.00 0.00 C ATOM 429 CD2 PHE A 29 -1.192 -5.484 9.510 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.950 -4.660 7.551 1.00 0.00 C ATOM 431 CE2 PHE A 29 -1.171 -4.173 9.072 1.00 0.00 C ATOM 432 CZ PHE A 29 -2.053 -3.760 8.092 1.00 0.00 C ATOM 0 H PHE A 29 -3.673 -6.610 10.975 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.043 -8.543 8.864 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.474 -7.907 10.337 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.669 -8.458 8.685 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.671 -6.669 7.566 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.502 -5.801 10.278 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.639 -4.340 6.783 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.466 -3.473 9.495 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.041 -2.736 7.750 1.00 0.00 H new ATOM 442 N GLU A 30 -3.468 -9.497 11.918 1.00 0.00 N ATOM 443 CA GLU A 30 -3.383 -10.655 12.801 1.00 0.00 C ATOM 444 C GLU A 30 -4.570 -11.590 12.587 1.00 0.00 C ATOM 445 O GLU A 30 -4.470 -12.797 12.806 1.00 0.00 O ATOM 446 CB GLU A 30 -3.331 -10.206 14.262 1.00 0.00 C ATOM 447 CG GLU A 30 -2.158 -9.292 14.577 1.00 0.00 C ATOM 448 CD GLU A 30 -0.927 -10.056 15.026 1.00 0.00 C ATOM 449 OE1 GLU A 30 -0.226 -10.616 14.157 1.00 0.00 O ATOM 450 OE2 GLU A 30 -0.666 -10.093 16.246 1.00 0.00 O ATOM 0 H GLU A 30 -3.574 -8.605 12.401 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.468 -11.197 12.562 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.259 -9.690 14.508 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.277 -11.087 14.902 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.913 -8.703 13.693 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.449 -8.589 15.357 1.00 0.00 H new ATOM 457 N ASP A 31 -5.692 -11.023 12.157 1.00 0.00 N ATOM 458 CA ASP A 31 -6.899 -11.805 11.913 1.00 0.00 C ATOM 459 C ASP A 31 -6.896 -12.382 10.501 1.00 0.00 C ATOM 460 O ASP A 31 -7.404 -13.478 10.266 1.00 0.00 O ATOM 461 CB ASP A 31 -8.143 -10.941 12.122 1.00 0.00 C ATOM 462 CG ASP A 31 -9.360 -11.761 12.502 1.00 0.00 C ATOM 463 OD1 ASP A 31 -9.265 -12.555 13.461 1.00 0.00 O ATOM 464 OD2 ASP A 31 -10.408 -11.608 11.840 1.00 0.00 O ATOM 0 H ASP A 31 -5.791 -10.025 11.970 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.917 -12.631 12.624 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.945 -10.207 12.903 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.354 -10.385 11.208 1.00 0.00 H new ATOM 469 N ASP A 32 -6.320 -11.636 9.564 1.00 0.00 N ATOM 470 CA ASP A 32 -6.251 -12.073 8.174 1.00 0.00 C ATOM 471 C ASP A 32 -5.253 -11.229 7.388 1.00 0.00 C ATOM 472 O ASP A 32 -5.185 -10.008 7.533 1.00 0.00 O ATOM 473 CB ASP A 32 -7.632 -11.991 7.522 1.00 0.00 C ATOM 474 CG ASP A 32 -8.421 -13.277 7.672 1.00 0.00 C ATOM 475 OD1 ASP A 32 -8.003 -14.301 7.091 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.455 -13.260 8.371 1.00 0.00 O ATOM 0 H ASP A 32 -5.894 -10.726 9.742 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.913 -13.109 8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.193 -11.170 7.968 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.517 -11.760 6.463 1.00 0.00 H new ATOM 481 N PRO A 33 -4.457 -11.893 6.537 1.00 0.00 N ATOM 482 CA PRO A 33 -3.447 -11.223 5.711 1.00 0.00 C ATOM 483 C PRO A 33 -4.070 -10.366 4.615 1.00 0.00 C ATOM 484 O PRO A 33 -3.582 -9.276 4.313 1.00 0.00 O ATOM 485 CB PRO A 33 -2.662 -12.386 5.099 1.00 0.00 C ATOM 486 CG PRO A 33 -3.618 -13.529 5.096 1.00 0.00 C ATOM 487 CD PRO A 33 -4.483 -13.348 6.313 1.00 0.00 C ATOM 0 HA PRO A 33 -2.834 -10.536 6.294 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.326 -12.149 4.090 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.773 -12.615 5.686 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.219 -13.533 4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.088 -14.481 5.132 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.497 -13.710 6.143 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.089 -13.894 7.171 1.00 0.00 H new ATOM 495 N LEU A 34 -5.150 -10.863 4.023 1.00 0.00 N ATOM 496 CA LEU A 34 -5.841 -10.141 2.960 1.00 0.00 C ATOM 497 C LEU A 34 -5.843 -8.641 3.233 1.00 0.00 C ATOM 498 O LEU A 34 -5.504 -7.840 2.361 1.00 0.00 O ATOM 499 CB LEU A 34 -7.278 -10.648 2.823 1.00 0.00 C ATOM 500 CG LEU A 34 -7.460 -11.943 2.030 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.504 -11.654 0.538 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.344 -12.926 2.352 1.00 0.00 C ATOM 0 H LEU A 34 -5.567 -11.763 4.261 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.308 -10.321 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.686 -10.797 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.874 -9.868 2.348 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.409 -12.394 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.634 -12.587 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.338 -10.987 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.571 -11.180 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.489 -13.842 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.383 -12.483 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.360 -13.158 3.417 1.00 0.00 H new ATOM 514 N VAL A 35 -6.225 -8.266 4.450 1.00 0.00 N ATOM 515 CA VAL A 35 -6.268 -6.862 4.839 1.00 0.00 C ATOM 516 C VAL A 35 -5.030 -6.118 4.351 1.00 0.00 C ATOM 517 O VAL A 35 -5.132 -5.129 3.625 1.00 0.00 O ATOM 518 CB VAL A 35 -6.378 -6.706 6.367 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.519 -5.239 6.746 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.548 -7.518 6.902 1.00 0.00 C ATOM 0 H VAL A 35 -6.509 -8.916 5.183 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.154 -6.432 4.373 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.463 -7.087 6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.595 -5.149 7.830 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.646 -4.687 6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.417 -4.828 6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.611 -7.396 7.983 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.473 -7.169 6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.399 -8.571 6.663 1.00 0.00 H new ATOM 530 N LEU A 36 -3.860 -6.601 4.755 1.00 0.00 N ATOM 531 CA LEU A 36 -2.599 -5.982 4.358 1.00 0.00 C ATOM 532 C LEU A 36 -2.380 -6.109 2.854 1.00 0.00 C ATOM 533 O LEU A 36 -1.831 -5.209 2.219 1.00 0.00 O ATOM 534 CB LEU A 36 -1.434 -6.626 5.111 1.00 0.00 C ATOM 535 CG LEU A 36 -0.108 -5.865 5.074 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.183 -4.621 5.946 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.036 -6.764 5.520 1.00 0.00 C ATOM 0 H LEU A 36 -3.758 -7.418 5.357 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.646 -4.923 4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.727 -6.754 6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.269 -7.623 4.701 1.00 0.00 H new ATOM 0 HG LEU A 36 0.082 -5.553 4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.769 -4.092 5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.976 -3.968 5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.396 -4.910 6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.972 -6.206 5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.853 -7.107 6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.104 -7.624 4.854 1.00 0.00 H new ATOM 549 N ASN A 37 -2.815 -7.230 2.290 1.00 0.00 N ATOM 550 CA ASN A 37 -2.668 -7.474 0.860 1.00 0.00 C ATOM 551 C ASN A 37 -3.399 -6.408 0.048 1.00 0.00 C ATOM 552 O ASN A 37 -2.782 -5.656 -0.705 1.00 0.00 O ATOM 553 CB ASN A 37 -3.204 -8.861 0.499 1.00 0.00 C ATOM 554 CG ASN A 37 -2.161 -9.948 0.678 1.00 0.00 C ATOM 555 OD1 ASN A 37 -1.055 -9.855 0.147 1.00 0.00 O ATOM 556 ND2 ASN A 37 -2.511 -10.985 1.430 1.00 0.00 N ATOM 0 H ASN A 37 -3.273 -7.985 2.801 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.606 -7.427 0.617 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.070 -9.086 1.121 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.547 -8.857 -0.536 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.851 -11.747 1.587 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.440 -11.020 1.851 1.00 0.00 H new ATOM 563 N GLU A 38 -4.717 -6.350 0.209 1.00 0.00 N ATOM 564 CA GLU A 38 -5.532 -5.376 -0.508 1.00 0.00 C ATOM 565 C GLU A 38 -5.021 -3.958 -0.269 1.00 0.00 C ATOM 566 O GLU A 38 -4.944 -3.151 -1.196 1.00 0.00 O ATOM 567 CB GLU A 38 -6.995 -5.483 -0.074 1.00 0.00 C ATOM 568 CG GLU A 38 -7.174 -6.025 1.334 1.00 0.00 C ATOM 569 CD GLU A 38 -8.402 -5.463 2.023 1.00 0.00 C ATOM 570 OE1 GLU A 38 -9.527 -5.786 1.587 1.00 0.00 O ATOM 571 OE2 GLU A 38 -8.239 -4.701 2.999 1.00 0.00 O ATOM 0 H GLU A 38 -5.243 -6.966 0.829 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.460 -5.595 -1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.457 -4.498 -0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.526 -6.129 -0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.250 -7.112 1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.290 -5.788 1.926 1.00 0.00 H new ATOM 578 N ILE A 39 -4.675 -3.663 0.979 1.00 0.00 N ATOM 579 CA ILE A 39 -4.171 -2.344 1.340 1.00 0.00 C ATOM 580 C ILE A 39 -2.893 -2.015 0.576 1.00 0.00 C ATOM 581 O ILE A 39 -2.806 -0.987 -0.095 1.00 0.00 O ATOM 582 CB ILE A 39 -3.894 -2.241 2.852 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.208 -2.238 3.635 1.00 0.00 C ATOM 584 CG2 ILE A 39 -3.085 -0.990 3.158 1.00 0.00 C ATOM 585 CD1 ILE A 39 -5.020 -2.352 5.131 1.00 0.00 C ATOM 0 H ILE A 39 -4.734 -4.320 1.757 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.946 -1.626 1.072 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.313 -3.110 3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.751 -1.319 3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.829 -3.065 3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.897 -0.931 4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.135 -1.032 2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.642 -0.109 2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.993 -2.343 5.622 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.505 -3.284 5.363 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.426 -1.511 5.488 1.00 0.00 H new ATOM 597 N ARG A 40 -1.904 -2.896 0.683 1.00 0.00 N ATOM 598 CA ARG A 40 -0.630 -2.700 0.001 1.00 0.00 C ATOM 599 C ARG A 40 -0.842 -2.459 -1.490 1.00 0.00 C ATOM 600 O ARG A 40 -0.469 -1.412 -2.019 1.00 0.00 O ATOM 601 CB ARG A 40 0.276 -3.916 0.209 1.00 0.00 C ATOM 602 CG ARG A 40 1.699 -3.705 -0.282 1.00 0.00 C ATOM 603 CD ARG A 40 2.314 -5.003 -0.780 1.00 0.00 C ATOM 604 NE ARG A 40 1.813 -5.375 -2.101 1.00 0.00 N ATOM 605 CZ ARG A 40 2.140 -6.504 -2.720 1.00 0.00 C ATOM 606 NH1 ARG A 40 2.963 -7.367 -2.141 1.00 0.00 N ATOM 607 NH2 ARG A 40 1.642 -6.771 -3.921 1.00 0.00 N ATOM 0 H ARG A 40 -1.960 -3.752 1.235 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.150 -1.820 0.428 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.300 -4.164 1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.155 -4.773 -0.309 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.703 -2.968 -1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.308 -3.299 0.526 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.398 -4.899 -0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.097 -5.802 -0.072 1.00 0.00 H new ATOM 0 HE ARG A 40 1.177 -4.733 -2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.347 -7.165 -1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.212 -8.233 -2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.008 -6.109 -4.369 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.893 -7.638 -4.396 1.00 0.00 H new ATOM 621 N GLU A 41 -1.444 -3.436 -2.163 1.00 0.00 N ATOM 622 CA GLU A 41 -1.704 -3.330 -3.593 1.00 0.00 C ATOM 623 C GLU A 41 -2.478 -2.054 -3.912 1.00 0.00 C ATOM 624 O GLU A 41 -2.280 -1.441 -4.962 1.00 0.00 O ATOM 625 CB GLU A 41 -2.487 -4.550 -4.084 1.00 0.00 C ATOM 626 CG GLU A 41 -3.993 -4.355 -4.063 1.00 0.00 C ATOM 627 CD GLU A 41 -4.752 -5.668 -4.094 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.166 -6.701 -3.709 1.00 0.00 O ATOM 629 OE2 GLU A 41 -5.931 -5.661 -4.504 1.00 0.00 O ATOM 0 H GLU A 41 -1.760 -4.309 -1.740 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.744 -3.291 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.174 -4.787 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.232 -5.409 -3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.271 -3.800 -3.167 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.289 -3.748 -4.919 1.00 0.00 H new ATOM 636 N ASP A 42 -3.360 -1.660 -3.000 1.00 0.00 N ATOM 637 CA ASP A 42 -4.163 -0.457 -3.183 1.00 0.00 C ATOM 638 C ASP A 42 -3.275 0.779 -3.287 1.00 0.00 C ATOM 639 O ASP A 42 -3.493 1.642 -4.139 1.00 0.00 O ATOM 640 CB ASP A 42 -5.149 -0.296 -2.024 1.00 0.00 C ATOM 641 CG ASP A 42 -6.479 -0.970 -2.297 1.00 0.00 C ATOM 642 OD1 ASP A 42 -7.003 -0.813 -3.420 1.00 0.00 O ATOM 643 OD2 ASP A 42 -6.996 -1.652 -1.388 1.00 0.00 O ATOM 0 H ASP A 42 -3.537 -2.156 -2.127 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.721 -0.560 -4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.712 -0.716 -1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.314 0.765 -1.836 1.00 0.00 H new ATOM 648 N LEU A 43 -2.276 0.859 -2.416 1.00 0.00 N ATOM 649 CA LEU A 43 -1.355 1.990 -2.410 1.00 0.00 C ATOM 650 C LEU A 43 -0.509 2.011 -3.679 1.00 0.00 C ATOM 651 O LEU A 43 -0.065 3.070 -4.123 1.00 0.00 O ATOM 652 CB LEU A 43 -0.448 1.927 -1.180 1.00 0.00 C ATOM 653 CG LEU A 43 -0.927 2.702 0.048 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.076 2.576 1.184 1.00 0.00 C ATOM 655 CD2 LEU A 43 -1.158 4.165 -0.301 1.00 0.00 C ATOM 0 H LEU A 43 -2.083 0.154 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.944 2.906 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.323 0.881 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.537 2.302 -1.460 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.874 2.273 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.282 3.134 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.192 1.526 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.038 2.978 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.499 4.701 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.227 4.606 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.915 4.238 -1.082 1.00 0.00 H new ATOM 667 N ARG A 44 -0.292 0.835 -4.258 1.00 0.00 N ATOM 668 CA ARG A 44 0.500 0.718 -5.477 1.00 0.00 C ATOM 669 C ARG A 44 -0.340 1.057 -6.705 1.00 0.00 C ATOM 670 O ARG A 44 0.166 1.606 -7.684 1.00 0.00 O ATOM 671 CB ARG A 44 1.067 -0.696 -5.609 1.00 0.00 C ATOM 672 CG ARG A 44 2.288 -0.781 -6.511 1.00 0.00 C ATOM 673 CD ARG A 44 2.979 -2.130 -6.388 1.00 0.00 C ATOM 674 NE ARG A 44 3.762 -2.455 -7.577 1.00 0.00 N ATOM 675 CZ ARG A 44 4.250 -3.664 -7.828 1.00 0.00 C ATOM 676 NH1 ARG A 44 4.036 -4.659 -6.977 1.00 0.00 N ATOM 677 NH2 ARG A 44 4.953 -3.882 -8.932 1.00 0.00 N ATOM 0 H ARG A 44 -0.653 -0.050 -3.903 1.00 0.00 H new ATOM 0 HA ARG A 44 1.325 1.428 -5.414 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.331 -1.066 -4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.291 -1.355 -5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.989 -0.617 -7.546 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.989 0.013 -6.252 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.631 -2.125 -5.515 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.232 -2.906 -6.223 1.00 0.00 H new ATOM 0 HE ARG A 44 3.944 -1.712 -8.252 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.495 -4.496 -6.127 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.412 -5.587 -7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.119 -3.120 -9.589 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.327 -4.811 -9.123 1.00 0.00 H new ATOM 691 N VAL A 45 -1.626 0.726 -6.646 1.00 0.00 N ATOM 692 CA VAL A 45 -2.536 0.996 -7.753 1.00 0.00 C ATOM 693 C VAL A 45 -3.062 2.426 -7.696 1.00 0.00 C ATOM 694 O VAL A 45 -3.427 3.003 -8.719 1.00 0.00 O ATOM 695 CB VAL A 45 -3.729 0.021 -7.748 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.272 -1.381 -7.379 1.00 0.00 C ATOM 697 CG2 VAL A 45 -4.810 0.507 -6.794 1.00 0.00 C ATOM 0 H VAL A 45 -2.061 0.271 -5.844 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.967 0.858 -8.672 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.151 -0.014 -8.752 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.129 -2.055 -7.381 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.536 -1.727 -8.105 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.823 -1.368 -6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.645 -0.194 -6.803 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.402 0.573 -5.785 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.158 1.491 -7.109 1.00 0.00 H new ATOM 707 N GLU A 46 -3.096 2.991 -6.493 1.00 0.00 N ATOM 708 CA GLU A 46 -3.578 4.354 -6.304 1.00 0.00 C ATOM 709 C GLU A 46 -2.532 5.368 -6.759 1.00 0.00 C ATOM 710 O GLU A 46 -2.848 6.326 -7.467 1.00 0.00 O ATOM 711 CB GLU A 46 -3.931 4.594 -4.835 1.00 0.00 C ATOM 712 CG GLU A 46 -2.760 5.083 -3.999 1.00 0.00 C ATOM 713 CD GLU A 46 -3.177 5.515 -2.607 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.376 5.385 -2.280 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.306 5.983 -1.844 1.00 0.00 O ATOM 0 H GLU A 46 -2.796 2.526 -5.636 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.474 4.484 -6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.737 5.326 -4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.311 3.667 -4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.017 4.289 -3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.280 5.920 -4.507 1.00 0.00 H new ATOM 722 N CYS A 47 -1.288 5.152 -6.348 1.00 0.00 N ATOM 723 CA CYS A 47 -0.196 6.047 -6.712 1.00 0.00 C ATOM 724 C CYS A 47 0.170 5.888 -8.184 1.00 0.00 C ATOM 725 O CYS A 47 0.824 6.752 -8.768 1.00 0.00 O ATOM 726 CB CYS A 47 1.029 5.773 -5.838 1.00 0.00 C ATOM 727 SG CYS A 47 0.813 6.228 -4.101 1.00 0.00 S ATOM 0 H CYS A 47 -1.010 4.365 -5.762 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.529 7.072 -6.547 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.274 4.713 -5.897 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.880 6.320 -6.243 1.00 0.00 H new ATOM 0 HG CYS A 47 0.431 5.186 -3.424 1.00 0.00 H new ATOM 733 N SER A 48 -0.255 4.778 -8.778 1.00 0.00 N ATOM 734 CA SER A 48 0.032 4.503 -10.181 1.00 0.00 C ATOM 735 C SER A 48 -0.921 5.272 -11.091 1.00 0.00 C ATOM 736 O SER A 48 -0.558 5.665 -12.200 1.00 0.00 O ATOM 737 CB SER A 48 -0.076 3.003 -10.461 1.00 0.00 C ATOM 738 OG SER A 48 0.241 2.712 -11.811 1.00 0.00 O ATOM 0 H SER A 48 -0.800 4.054 -8.309 1.00 0.00 H new ATOM 0 HA SER A 48 1.050 4.832 -10.389 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.598 2.457 -9.800 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.087 2.660 -10.240 1.00 0.00 H new ATOM 0 HG SER A 48 0.724 3.469 -12.204 1.00 0.00 H new ATOM 744 N LYS A 49 -2.143 5.483 -10.614 1.00 0.00 N ATOM 745 CA LYS A 49 -3.151 6.205 -11.382 1.00 0.00 C ATOM 746 C LYS A 49 -2.536 7.409 -12.088 1.00 0.00 C ATOM 747 O LYS A 49 -2.858 7.697 -13.241 1.00 0.00 O ATOM 748 CB LYS A 49 -4.288 6.663 -10.467 1.00 0.00 C ATOM 749 CG LYS A 49 -4.960 5.526 -9.717 1.00 0.00 C ATOM 750 CD LYS A 49 -5.494 4.469 -10.668 1.00 0.00 C ATOM 751 CE LYS A 49 -6.183 3.339 -9.917 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.277 2.726 -10.720 1.00 0.00 N ATOM 0 H LYS A 49 -2.460 5.164 -9.698 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.551 5.528 -12.137 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.897 7.381 -9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.036 7.185 -11.064 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.247 5.071 -9.029 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.778 5.920 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.197 4.926 -11.364 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.674 4.065 -11.262 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.450 2.575 -9.659 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.590 3.720 -8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.721 1.961 -10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.989 3.449 -10.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.885 2.339 -11.602 1.00 0.00 H new ATOM 766 N PHE A 50 -1.649 8.110 -11.390 1.00 0.00 N ATOM 767 CA PHE A 50 -0.989 9.283 -11.950 1.00 0.00 C ATOM 768 C PHE A 50 0.190 8.876 -12.829 1.00 0.00 C ATOM 769 O PHE A 50 0.501 9.540 -13.817 1.00 0.00 O ATOM 770 CB PHE A 50 -0.508 10.208 -10.830 1.00 0.00 C ATOM 771 CG PHE A 50 -1.483 10.330 -9.694 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.554 9.350 -8.717 1.00 0.00 C ATOM 773 CD2 PHE A 50 -2.328 11.424 -9.602 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.450 9.459 -7.671 1.00 0.00 C ATOM 775 CE2 PHE A 50 -3.226 11.539 -8.558 1.00 0.00 C ATOM 776 CZ PHE A 50 -3.287 10.555 -7.590 1.00 0.00 C ATOM 0 H PHE A 50 -1.371 7.886 -10.435 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.713 9.816 -12.566 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.442 9.836 -10.445 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.318 11.198 -11.244 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.902 8.491 -8.774 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.284 12.196 -10.356 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.496 8.687 -6.917 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.879 12.397 -8.499 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.987 10.642 -6.772 1.00 0.00 H new ATOM 786 N GLY A 51 0.844 7.778 -12.461 1.00 0.00 N ATOM 787 CA GLY A 51 1.981 7.300 -13.226 1.00 0.00 C ATOM 788 C GLY A 51 2.361 5.876 -12.872 1.00 0.00 C ATOM 789 O GLY A 51 1.728 4.926 -13.330 1.00 0.00 O ATOM 0 H GLY A 51 0.607 7.211 -11.647 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.749 7.357 -14.290 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.834 7.955 -13.050 1.00 0.00 H new ATOM 793 N GLN A 52 3.399 5.728 -12.055 1.00 0.00 N ATOM 794 CA GLN A 52 3.864 4.409 -11.642 1.00 0.00 C ATOM 795 C GLN A 52 4.371 4.436 -10.204 1.00 0.00 C ATOM 796 O GLN A 52 4.370 5.482 -9.555 1.00 0.00 O ATOM 797 CB GLN A 52 4.971 3.919 -12.576 1.00 0.00 C ATOM 798 CG GLN A 52 4.462 3.452 -13.931 1.00 0.00 C ATOM 799 CD GLN A 52 5.584 3.065 -14.874 1.00 0.00 C ATOM 800 OE1 GLN A 52 5.777 1.888 -15.177 1.00 0.00 O ATOM 801 NE2 GLN A 52 6.331 4.057 -15.344 1.00 0.00 N ATOM 0 H GLN A 52 3.934 6.505 -11.666 1.00 0.00 H new ATOM 0 HA GLN A 52 3.021 3.721 -11.698 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.691 4.723 -12.725 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.504 3.099 -12.095 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.799 2.598 -13.791 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.868 4.245 -14.385 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.135 5.019 -15.066 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.101 3.857 -15.983 1.00 0.00 H new ATOM 810 N ILE A 53 4.802 3.279 -9.712 1.00 0.00 N ATOM 811 CA ILE A 53 5.312 3.171 -8.351 1.00 0.00 C ATOM 812 C ILE A 53 6.751 2.668 -8.342 1.00 0.00 C ATOM 813 O ILE A 53 7.003 1.473 -8.499 1.00 0.00 O ATOM 814 CB ILE A 53 4.444 2.227 -7.498 1.00 0.00 C ATOM 815 CG1 ILE A 53 2.989 2.272 -7.968 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.544 2.601 -6.026 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.336 3.623 -7.782 1.00 0.00 C ATOM 0 H ILE A 53 4.808 2.404 -10.236 1.00 0.00 H new ATOM 0 HA ILE A 53 5.277 4.172 -7.920 1.00 0.00 H new ATOM 0 HB ILE A 53 4.813 1.209 -7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.948 2.000 -9.023 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.416 1.522 -7.422 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.925 1.925 -5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.581 2.521 -5.700 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.197 3.625 -5.886 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.306 3.581 -8.137 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.345 3.889 -6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.885 4.374 -8.350 1.00 0.00 H new ATOM 829 N ARG A 54 7.693 3.588 -8.154 1.00 0.00 N ATOM 830 CA ARG A 54 9.107 3.237 -8.124 1.00 0.00 C ATOM 831 C ARG A 54 9.396 2.236 -7.009 1.00 0.00 C ATOM 832 O ARG A 54 10.252 1.363 -7.150 1.00 0.00 O ATOM 833 CB ARG A 54 9.961 4.492 -7.930 1.00 0.00 C ATOM 834 CG ARG A 54 10.270 5.225 -9.225 1.00 0.00 C ATOM 835 CD ARG A 54 11.492 4.642 -9.918 1.00 0.00 C ATOM 836 NE ARG A 54 11.232 3.311 -10.459 1.00 0.00 N ATOM 837 CZ ARG A 54 11.519 2.186 -9.813 1.00 0.00 C ATOM 838 NH1 ARG A 54 12.072 2.232 -8.609 1.00 0.00 N ATOM 839 NH2 ARG A 54 11.252 1.012 -10.371 1.00 0.00 N ATOM 0 H ARG A 54 7.502 4.581 -8.020 1.00 0.00 H new ATOM 0 HA ARG A 54 9.361 2.775 -9.078 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.444 5.172 -7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.898 4.213 -7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.410 5.166 -9.892 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.439 6.281 -9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.803 5.306 -10.724 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.320 4.590 -9.211 1.00 0.00 H new ATOM 0 HE ARG A 54 10.807 3.241 -11.383 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.278 3.132 -8.177 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.291 1.367 -8.115 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.826 0.973 -11.297 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.473 0.149 -9.874 1.00 0.00 H new ATOM 853 N LYS A 55 8.675 2.368 -5.901 1.00 0.00 N ATOM 854 CA LYS A 55 8.851 1.476 -4.762 1.00 0.00 C ATOM 855 C LYS A 55 7.699 1.621 -3.773 1.00 0.00 C ATOM 856 O LYS A 55 7.209 2.726 -3.534 1.00 0.00 O ATOM 857 CB LYS A 55 10.180 1.767 -4.060 1.00 0.00 C ATOM 858 CG LYS A 55 10.387 0.960 -2.790 1.00 0.00 C ATOM 859 CD LYS A 55 11.105 -0.349 -3.072 1.00 0.00 C ATOM 860 CE LYS A 55 10.121 -1.476 -3.346 1.00 0.00 C ATOM 861 NZ LYS A 55 10.787 -2.656 -3.963 1.00 0.00 N ATOM 0 H LYS A 55 7.962 3.085 -5.768 1.00 0.00 H new ATOM 0 HA LYS A 55 8.860 0.451 -5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.998 1.560 -4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.228 2.829 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.965 1.546 -2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.422 0.754 -2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.766 -0.225 -3.930 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.733 -0.612 -2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.643 -1.775 -2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.333 -1.117 -4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.083 -3.402 -4.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.222 -2.377 -4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.522 -3.015 -3.321 1.00 0.00 H new ATOM 875 N LEU A 56 7.272 0.501 -3.200 1.00 0.00 N ATOM 876 CA LEU A 56 6.178 0.505 -2.235 1.00 0.00 C ATOM 877 C LEU A 56 6.538 -0.318 -1.002 1.00 0.00 C ATOM 878 O LEU A 56 7.003 -1.453 -1.113 1.00 0.00 O ATOM 879 CB LEU A 56 4.904 -0.047 -2.877 1.00 0.00 C ATOM 880 CG LEU A 56 3.586 0.411 -2.253 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.100 1.693 -2.913 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.533 -0.682 -2.367 1.00 0.00 C ATOM 0 H LEU A 56 7.666 -0.421 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 56 6.003 1.535 -1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.901 0.233 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.943 -1.136 -2.837 1.00 0.00 H new ATOM 0 HG LEU A 56 3.758 0.613 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.161 2.004 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.846 2.477 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.945 1.518 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.601 -0.338 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.364 -0.916 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.878 -1.576 -1.847 1.00 0.00 H new ATOM 894 N LEU A 57 6.317 0.260 0.174 1.00 0.00 N ATOM 895 CA LEU A 57 6.615 -0.420 1.429 1.00 0.00 C ATOM 896 C LEU A 57 5.552 -0.116 2.480 1.00 0.00 C ATOM 897 O LEU A 57 5.332 1.042 2.838 1.00 0.00 O ATOM 898 CB LEU A 57 7.993 0.000 1.945 1.00 0.00 C ATOM 899 CG LEU A 57 9.124 -0.005 0.917 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.167 1.046 1.266 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.762 -1.384 0.831 1.00 0.00 C ATOM 0 H LEU A 57 5.932 1.198 0.284 1.00 0.00 H new ATOM 0 HA LEU A 57 6.616 -1.493 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.912 1.004 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.270 -0.664 2.764 1.00 0.00 H new ATOM 0 HG LEU A 57 8.703 0.240 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.965 1.028 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.702 2.032 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.583 0.833 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.565 -1.368 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.168 -1.658 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.010 -2.115 0.533 1.00 0.00 H new ATOM 913 N LEU A 58 4.897 -1.161 2.971 1.00 0.00 N ATOM 914 CA LEU A 58 3.857 -1.007 3.983 1.00 0.00 C ATOM 915 C LEU A 58 4.401 -1.316 5.374 1.00 0.00 C ATOM 916 O LEU A 58 4.899 -2.413 5.627 1.00 0.00 O ATOM 917 CB LEU A 58 2.673 -1.923 3.670 1.00 0.00 C ATOM 918 CG LEU A 58 1.297 -1.409 4.094 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.197 -2.274 3.497 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.185 -1.372 5.611 1.00 0.00 C ATOM 0 H LEU A 58 5.067 -2.125 2.685 1.00 0.00 H new ATOM 0 HA LEU A 58 3.520 0.029 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.655 -2.106 2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.845 -2.884 4.154 1.00 0.00 H new ATOM 0 HG LEU A 58 1.178 -0.393 3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.775 -1.893 3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.264 -2.249 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.313 -3.301 3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.199 -1.004 5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.326 -2.376 6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.950 -0.710 6.016 1.00 0.00 H new ATOM 932 N PHE A 59 4.301 -0.343 6.273 1.00 0.00 N ATOM 933 CA PHE A 59 4.782 -0.511 7.639 1.00 0.00 C ATOM 934 C PHE A 59 3.666 -1.015 8.550 1.00 0.00 C ATOM 935 O PHE A 59 3.235 -0.316 9.467 1.00 0.00 O ATOM 936 CB PHE A 59 5.334 0.811 8.175 1.00 0.00 C ATOM 937 CG PHE A 59 6.307 1.476 7.242 1.00 0.00 C ATOM 938 CD1 PHE A 59 7.077 0.723 6.371 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.451 2.854 7.238 1.00 0.00 C ATOM 940 CE1 PHE A 59 7.972 1.331 5.512 1.00 0.00 C ATOM 941 CE2 PHE A 59 7.344 3.468 6.381 1.00 0.00 C ATOM 942 CZ PHE A 59 8.106 2.706 5.517 1.00 0.00 C ATOM 0 H PHE A 59 3.891 0.571 6.080 1.00 0.00 H new ATOM 0 HA PHE A 59 5.581 -1.252 7.627 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.504 1.491 8.367 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.825 0.630 9.131 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.977 -0.352 6.363 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.859 3.455 7.912 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.566 0.732 4.838 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.446 4.543 6.387 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.805 3.184 4.847 1.00 0.00 H new ATOM 952 N ASP A 60 3.202 -2.233 8.289 1.00 0.00 N ATOM 953 CA ASP A 60 2.137 -2.831 9.085 1.00 0.00 C ATOM 954 C ASP A 60 2.459 -2.749 10.574 1.00 0.00 C ATOM 955 O ASP A 60 1.577 -2.903 11.419 1.00 0.00 O ATOM 956 CB ASP A 60 1.924 -4.290 8.676 1.00 0.00 C ATOM 957 CG ASP A 60 3.180 -5.124 8.834 1.00 0.00 C ATOM 958 OD1 ASP A 60 3.972 -5.191 7.872 1.00 0.00 O ATOM 959 OD2 ASP A 60 3.370 -5.711 9.921 1.00 0.00 O ATOM 0 H ASP A 60 3.547 -2.825 7.533 1.00 0.00 H new ATOM 0 HA ASP A 60 1.220 -2.272 8.899 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.126 -4.721 9.281 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.594 -4.329 7.638 1.00 0.00 H new ATOM 964 N ARG A 61 3.727 -2.506 10.887 1.00 0.00 N ATOM 965 CA ARG A 61 4.166 -2.406 12.274 1.00 0.00 C ATOM 966 C ARG A 61 3.499 -1.223 12.971 1.00 0.00 C ATOM 967 O ARG A 61 2.839 -1.386 13.998 1.00 0.00 O ATOM 968 CB ARG A 61 5.687 -2.260 12.341 1.00 0.00 C ATOM 969 CG ARG A 61 6.427 -3.588 12.343 1.00 0.00 C ATOM 970 CD ARG A 61 6.282 -4.308 11.012 1.00 0.00 C ATOM 971 NE ARG A 61 7.377 -3.994 10.097 1.00 0.00 N ATOM 972 CZ ARG A 61 8.641 -4.338 10.318 1.00 0.00 C ATOM 973 NH1 ARG A 61 8.967 -5.004 11.417 1.00 0.00 N ATOM 974 NH2 ARG A 61 9.581 -4.016 9.439 1.00 0.00 N ATOM 0 H ARG A 61 4.469 -2.375 10.199 1.00 0.00 H new ATOM 0 HA ARG A 61 3.873 -3.321 12.788 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.024 -1.667 11.491 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.951 -1.705 13.241 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.483 -3.417 12.552 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.041 -4.219 13.143 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.250 -5.384 11.184 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.334 -4.031 10.551 1.00 0.00 H new ATOM 0 HE ARG A 61 7.159 -3.483 9.242 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.247 -5.253 12.095 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.938 -5.267 11.585 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.334 -3.504 8.592 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.551 -4.281 9.610 1.00 0.00 H new ATOM 988 N HIS A 62 3.678 -0.033 12.406 1.00 0.00 N ATOM 989 CA HIS A 62 3.093 1.177 12.973 1.00 0.00 C ATOM 990 C HIS A 62 1.576 1.052 13.074 1.00 0.00 C ATOM 991 O HIS A 62 0.876 0.877 12.077 1.00 0.00 O ATOM 992 CB HIS A 62 3.461 2.393 12.122 1.00 0.00 C ATOM 993 CG HIS A 62 3.652 3.646 12.920 1.00 0.00 C ATOM 994 ND1 HIS A 62 2.775 4.054 13.902 1.00 0.00 N ATOM 995 CD2 HIS A 62 4.628 4.584 12.876 1.00 0.00 C ATOM 996 CE1 HIS A 62 3.202 5.188 14.428 1.00 0.00 C ATOM 997 NE2 HIS A 62 4.325 5.531 13.823 1.00 0.00 N ATOM 0 H HIS A 62 4.223 0.119 11.557 1.00 0.00 H new ATOM 0 HA HIS A 62 3.496 1.310 13.977 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.378 2.178 11.573 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.678 2.559 11.382 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.485 4.587 12.219 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.716 5.741 15.218 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.877 6.364 14.026 1.00 0.00 H new ATOM 1005 N PRO A 63 1.055 1.144 14.306 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.384 1.044 14.567 1.00 0.00 C ATOM 1007 C PRO A 63 -1.153 2.253 14.046 1.00 0.00 C ATOM 1008 O PRO A 63 -2.366 2.355 14.228 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.464 0.977 16.094 1.00 0.00 C ATOM 1010 CG PRO A 63 0.775 1.653 16.569 1.00 0.00 C ATOM 1011 CD PRO A 63 1.831 1.353 15.541 1.00 0.00 C ATOM 0 HA PRO A 63 -0.830 0.186 14.065 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.357 1.480 16.466 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.511 -0.055 16.443 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.620 2.727 16.667 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.070 1.282 17.551 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.537 2.177 15.438 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.410 0.469 15.806 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.440 3.166 13.396 1.00 0.00 N ATOM 1020 CA ASP A 64 -1.056 4.369 12.846 1.00 0.00 C ATOM 1021 C ASP A 64 -1.145 4.288 11.326 1.00 0.00 C ATOM 1022 O ASP A 64 -1.194 5.309 10.641 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.261 5.609 13.258 1.00 0.00 C ATOM 1024 CG ASP A 64 -0.358 5.892 14.744 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -0.485 4.925 15.525 1.00 0.00 O ATOM 1026 OD2 ASP A 64 -0.306 7.079 15.126 1.00 0.00 O ATOM 0 H ASP A 64 0.565 3.097 13.237 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.067 4.445 13.247 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.785 5.473 12.985 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.626 6.472 12.702 1.00 0.00 H new ATOM 1031 N GLY A 65 -1.163 3.065 10.803 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.244 2.873 9.367 1.00 0.00 C ATOM 1033 C GLY A 65 -0.266 3.748 8.609 1.00 0.00 C ATOM 1034 O GLY A 65 -0.657 4.737 7.990 1.00 0.00 O ATOM 0 H GLY A 65 -1.123 2.204 11.349 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.048 1.827 9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.258 3.091 9.031 1.00 0.00 H new ATOM 1038 N VAL A 66 1.012 3.385 8.659 1.00 0.00 N ATOM 1039 CA VAL A 66 2.050 4.145 7.972 1.00 0.00 C ATOM 1040 C VAL A 66 2.602 3.369 6.781 1.00 0.00 C ATOM 1041 O VAL A 66 2.958 2.197 6.902 1.00 0.00 O ATOM 1042 CB VAL A 66 3.209 4.498 8.923 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.298 5.255 8.178 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.699 5.307 10.106 1.00 0.00 C ATOM 0 H VAL A 66 1.353 2.570 9.168 1.00 0.00 H new ATOM 0 HA VAL A 66 1.587 5.066 7.618 1.00 0.00 H new ATOM 0 HB VAL A 66 3.639 3.572 9.304 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.109 5.496 8.865 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.682 4.636 7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.885 6.176 7.767 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.531 5.548 10.768 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.243 6.229 9.746 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.957 4.724 10.653 1.00 0.00 H new ATOM 1054 N ALA A 67 2.671 4.031 5.631 1.00 0.00 N ATOM 1055 CA ALA A 67 3.182 3.404 4.418 1.00 0.00 C ATOM 1056 C ALA A 67 4.189 4.309 3.716 1.00 0.00 C ATOM 1057 O ALA A 67 4.257 5.507 3.988 1.00 0.00 O ATOM 1058 CB ALA A 67 2.036 3.058 3.480 1.00 0.00 C ATOM 0 H ALA A 67 2.380 5.001 5.514 1.00 0.00 H new ATOM 0 HA ALA A 67 3.695 2.485 4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.432 2.591 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.355 2.368 3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.499 3.967 3.211 1.00 0.00 H new ATOM 1064 N SER A 68 4.969 3.727 2.811 1.00 0.00 N ATOM 1065 CA SER A 68 5.976 4.480 2.072 1.00 0.00 C ATOM 1066 C SER A 68 5.855 4.223 0.573 1.00 0.00 C ATOM 1067 O SER A 68 6.182 3.140 0.088 1.00 0.00 O ATOM 1068 CB SER A 68 7.379 4.105 2.553 1.00 0.00 C ATOM 1069 OG SER A 68 8.366 4.531 1.630 1.00 0.00 O ATOM 0 H SER A 68 4.923 2.737 2.572 1.00 0.00 H new ATOM 0 HA SER A 68 5.808 5.541 2.256 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.567 4.559 3.526 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.444 3.025 2.687 1.00 0.00 H new ATOM 0 HG SER A 68 9.254 4.281 1.961 1.00 0.00 H new ATOM 1075 N VAL A 69 5.382 5.229 -0.157 1.00 0.00 N ATOM 1076 CA VAL A 69 5.218 5.114 -1.601 1.00 0.00 C ATOM 1077 C VAL A 69 6.211 6.004 -2.339 1.00 0.00 C ATOM 1078 O VAL A 69 6.026 7.217 -2.430 1.00 0.00 O ATOM 1079 CB VAL A 69 3.788 5.489 -2.035 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.461 4.872 -3.386 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.781 5.053 -0.983 1.00 0.00 C ATOM 0 H VAL A 69 5.106 6.132 0.228 1.00 0.00 H new ATOM 0 HA VAL A 69 5.407 4.072 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 69 3.729 6.573 -2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.447 5.148 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.165 5.239 -4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.536 3.787 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.776 5.326 -1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.839 3.973 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.005 5.547 -0.038 1.00 0.00 H new ATOM 1091 N SER A 70 7.267 5.392 -2.866 1.00 0.00 N ATOM 1092 CA SER A 70 8.293 6.129 -3.595 1.00 0.00 C ATOM 1093 C SER A 70 7.821 6.466 -5.006 1.00 0.00 C ATOM 1094 O SER A 70 7.000 5.755 -5.585 1.00 0.00 O ATOM 1095 CB SER A 70 9.587 5.315 -3.659 1.00 0.00 C ATOM 1096 OG SER A 70 9.840 4.661 -2.427 1.00 0.00 O ATOM 0 H SER A 70 7.434 4.388 -2.802 1.00 0.00 H new ATOM 0 HA SER A 70 8.484 7.061 -3.062 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.517 4.577 -4.458 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.422 5.972 -3.904 1.00 0.00 H new ATOM 0 HG SER A 70 10.788 4.420 -2.374 1.00 0.00 H new ATOM 1102 N PHE A 71 8.346 7.557 -5.554 1.00 0.00 N ATOM 1103 CA PHE A 71 7.979 7.991 -6.897 1.00 0.00 C ATOM 1104 C PHE A 71 9.221 8.276 -7.735 1.00 0.00 C ATOM 1105 O PHE A 71 10.312 8.477 -7.200 1.00 0.00 O ATOM 1106 CB PHE A 71 7.098 9.240 -6.829 1.00 0.00 C ATOM 1107 CG PHE A 71 5.724 8.976 -6.281 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.510 8.916 -4.913 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.648 8.788 -7.133 1.00 0.00 C ATOM 1110 CE1 PHE A 71 4.247 8.672 -4.406 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.383 8.544 -6.632 1.00 0.00 C ATOM 1112 CZ PHE A 71 3.183 8.487 -5.267 1.00 0.00 C ATOM 0 H PHE A 71 9.027 8.157 -5.089 1.00 0.00 H new ATOM 0 HA PHE A 71 7.419 7.185 -7.372 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.590 9.989 -6.208 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.006 9.665 -7.829 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.339 9.061 -4.236 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.799 8.833 -8.201 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.093 8.626 -3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.553 8.398 -7.307 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.195 8.298 -4.873 1.00 0.00 H new ATOM 1122 N ARG A 72 9.048 8.292 -9.053 1.00 0.00 N ATOM 1123 CA ARG A 72 10.155 8.551 -9.966 1.00 0.00 C ATOM 1124 C ARG A 72 10.270 10.041 -10.272 1.00 0.00 C ATOM 1125 O ARG A 72 11.363 10.608 -10.243 1.00 0.00 O ATOM 1126 CB ARG A 72 9.966 7.766 -11.265 1.00 0.00 C ATOM 1127 CG ARG A 72 10.974 8.123 -12.345 1.00 0.00 C ATOM 1128 CD ARG A 72 12.402 7.978 -11.843 1.00 0.00 C ATOM 1129 NE ARG A 72 13.382 8.307 -12.875 1.00 0.00 N ATOM 1130 CZ ARG A 72 13.599 9.541 -13.315 1.00 0.00 C ATOM 1131 NH1 ARG A 72 12.911 10.558 -12.815 1.00 0.00 N ATOM 1132 NH2 ARG A 72 14.508 9.761 -14.257 1.00 0.00 N ATOM 0 H ARG A 72 8.152 8.129 -9.512 1.00 0.00 H new ATOM 0 HA ARG A 72 11.076 8.225 -9.483 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.040 6.700 -11.049 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.960 7.946 -11.645 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.824 7.479 -13.211 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.806 9.148 -12.677 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.551 8.629 -10.981 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.564 6.955 -11.502 1.00 0.00 H new ATOM 0 HE ARG A 72 13.929 7.547 -13.280 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.212 10.394 -12.090 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.080 11.505 -13.155 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.041 8.982 -14.644 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.674 10.709 -14.594 1.00 0.00 H new ATOM 1146 N ASP A 73 9.137 10.669 -10.564 1.00 0.00 N ATOM 1147 CA ASP A 73 9.110 12.094 -10.875 1.00 0.00 C ATOM 1148 C ASP A 73 8.476 12.887 -9.736 1.00 0.00 C ATOM 1149 O ASP A 73 7.514 12.451 -9.104 1.00 0.00 O ATOM 1150 CB ASP A 73 8.341 12.340 -12.174 1.00 0.00 C ATOM 1151 CG ASP A 73 6.943 11.755 -12.139 1.00 0.00 C ATOM 1152 OD1 ASP A 73 6.704 10.837 -11.326 1.00 0.00 O ATOM 1153 OD2 ASP A 73 6.088 12.215 -12.924 1.00 0.00 O ATOM 0 H ASP A 73 8.224 10.214 -10.592 1.00 0.00 H new ATOM 0 HA ASP A 73 10.138 12.433 -11.001 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.278 13.413 -12.358 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.893 11.905 -13.007 1.00 0.00 H new ATOM 1158 N PRO A 74 9.029 14.079 -9.465 1.00 0.00 N ATOM 1159 CA PRO A 74 8.534 14.957 -8.401 1.00 0.00 C ATOM 1160 C PRO A 74 7.170 15.554 -8.730 1.00 0.00 C ATOM 1161 O PRO A 74 6.428 15.958 -7.835 1.00 0.00 O ATOM 1162 CB PRO A 74 9.595 16.058 -8.327 1.00 0.00 C ATOM 1163 CG PRO A 74 10.212 16.081 -9.683 1.00 0.00 C ATOM 1164 CD PRO A 74 10.178 14.661 -10.178 1.00 0.00 C ATOM 0 HA PRO A 74 8.391 14.420 -7.463 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.149 17.021 -8.078 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.337 15.842 -7.558 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.659 16.741 -10.352 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.235 16.455 -9.640 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.045 14.615 -11.259 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.103 14.133 -9.948 1.00 0.00 H new ATOM 1172 N GLU A 75 6.846 15.605 -10.018 1.00 0.00 N ATOM 1173 CA GLU A 75 5.570 16.153 -10.463 1.00 0.00 C ATOM 1174 C GLU A 75 4.414 15.246 -10.049 1.00 0.00 C ATOM 1175 O GLU A 75 3.384 15.718 -9.569 1.00 0.00 O ATOM 1176 CB GLU A 75 5.570 16.335 -11.982 1.00 0.00 C ATOM 1177 CG GLU A 75 6.617 17.319 -12.477 1.00 0.00 C ATOM 1178 CD GLU A 75 6.290 17.878 -13.848 1.00 0.00 C ATOM 1179 OE1 GLU A 75 5.824 17.104 -14.710 1.00 0.00 O ATOM 1180 OE2 GLU A 75 6.501 19.091 -14.059 1.00 0.00 O ATOM 0 H GLU A 75 7.449 15.274 -10.771 1.00 0.00 H new ATOM 0 HA GLU A 75 5.436 17.125 -9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.740 15.368 -12.455 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.584 16.676 -12.299 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.704 18.140 -11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.587 16.824 -12.513 1.00 0.00 H new ATOM 1187 N GLU A 76 4.594 13.943 -10.239 1.00 0.00 N ATOM 1188 CA GLU A 76 3.566 12.971 -9.887 1.00 0.00 C ATOM 1189 C GLU A 76 3.333 12.948 -8.379 1.00 0.00 C ATOM 1190 O GLU A 76 2.231 13.223 -7.906 1.00 0.00 O ATOM 1191 CB GLU A 76 3.963 11.576 -10.375 1.00 0.00 C ATOM 1192 CG GLU A 76 2.781 10.645 -10.583 1.00 0.00 C ATOM 1193 CD GLU A 76 3.148 9.185 -10.397 1.00 0.00 C ATOM 1194 OE1 GLU A 76 4.051 8.704 -11.112 1.00 0.00 O ATOM 1195 OE2 GLU A 76 2.531 8.524 -9.535 1.00 0.00 O ATOM 0 H GLU A 76 5.442 13.536 -10.635 1.00 0.00 H new ATOM 0 HA GLU A 76 2.638 13.268 -10.376 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.510 11.670 -11.313 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.645 11.128 -9.652 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.988 10.908 -9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.381 10.790 -11.587 1.00 0.00 H new ATOM 1202 N ALA A 77 4.380 12.616 -7.630 1.00 0.00 N ATOM 1203 CA ALA A 77 4.291 12.557 -6.176 1.00 0.00 C ATOM 1204 C ALA A 77 3.733 13.858 -5.608 1.00 0.00 C ATOM 1205 O ALA A 77 2.723 13.856 -4.904 1.00 0.00 O ATOM 1206 CB ALA A 77 5.656 12.259 -5.575 1.00 0.00 C ATOM 0 H ALA A 77 5.299 12.384 -8.006 1.00 0.00 H new ATOM 0 HA ALA A 77 3.606 11.751 -5.911 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.574 12.218 -4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.016 11.300 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.357 13.045 -5.857 1.00 0.00 H new ATOM 1212 N ASP A 78 4.397 14.966 -5.917 1.00 0.00 N ATOM 1213 CA ASP A 78 3.968 16.274 -5.437 1.00 0.00 C ATOM 1214 C ASP A 78 2.497 16.515 -5.761 1.00 0.00 C ATOM 1215 O ASP A 78 1.837 17.338 -5.125 1.00 0.00 O ATOM 1216 CB ASP A 78 4.827 17.376 -6.057 1.00 0.00 C ATOM 1217 CG ASP A 78 4.470 18.753 -5.533 1.00 0.00 C ATOM 1218 OD1 ASP A 78 4.408 18.919 -4.297 1.00 0.00 O ATOM 1219 OD2 ASP A 78 4.253 19.665 -6.358 1.00 0.00 O ATOM 0 H ASP A 78 5.235 14.984 -6.498 1.00 0.00 H new ATOM 0 HA ASP A 78 4.092 16.295 -4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.878 17.173 -5.850 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.707 17.360 -7.140 1.00 0.00 H new ATOM 1224 N TYR A 79 1.989 15.794 -6.754 1.00 0.00 N ATOM 1225 CA TYR A 79 0.597 15.932 -7.165 1.00 0.00 C ATOM 1226 C TYR A 79 -0.257 14.812 -6.581 1.00 0.00 C ATOM 1227 O TYR A 79 -1.477 14.939 -6.471 1.00 0.00 O ATOM 1228 CB TYR A 79 0.491 15.927 -8.691 1.00 0.00 C ATOM 1229 CG TYR A 79 -0.932 15.963 -9.199 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -1.951 16.514 -8.431 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.259 15.446 -10.447 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.253 16.548 -8.891 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.558 15.477 -10.915 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.552 16.029 -10.134 1.00 0.00 C ATOM 1235 OH TYR A 79 -4.847 16.061 -10.597 1.00 0.00 O ATOM 0 H TYR A 79 2.521 15.108 -7.290 1.00 0.00 H new ATOM 0 HA TYR A 79 0.225 16.883 -6.785 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.031 16.787 -9.087 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.984 15.035 -9.078 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.721 16.922 -7.458 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.484 15.012 -11.061 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.033 16.979 -8.281 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.794 15.071 -11.888 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.886 15.656 -11.489 1.00 0.00 H new ATOM 1245 N CYS A 80 0.392 13.714 -6.209 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.307 12.569 -5.636 1.00 0.00 C ATOM 1247 C CYS A 80 -0.565 12.779 -4.147 1.00 0.00 C ATOM 1248 O CYS A 80 -1.565 12.303 -3.608 1.00 0.00 O ATOM 1249 CB CYS A 80 0.505 11.291 -5.849 1.00 0.00 C ATOM 1250 SG CYS A 80 0.726 10.838 -7.586 1.00 0.00 S ATOM 0 H CYS A 80 1.401 13.592 -6.294 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.267 12.470 -6.143 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.486 11.415 -5.389 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.012 10.469 -5.330 1.00 0.00 H new ATOM 0 HG CYS A 80 -0.376 10.321 -8.043 1.00 0.00 H new ATOM 1256 N ILE A 81 0.342 13.493 -3.490 1.00 0.00 N ATOM 1257 CA ILE A 81 0.212 13.766 -2.064 1.00 0.00 C ATOM 1258 C ILE A 81 -0.939 14.728 -1.790 1.00 0.00 C ATOM 1259 O ILE A 81 -1.478 14.767 -0.685 1.00 0.00 O ATOM 1260 CB ILE A 81 1.510 14.357 -1.483 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.655 15.824 -1.890 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.713 13.551 -1.948 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.957 16.784 -0.952 1.00 0.00 C ATOM 0 H ILE A 81 1.175 13.893 -3.922 1.00 0.00 H new ATOM 0 HA ILE A 81 0.008 12.812 -1.578 1.00 0.00 H new ATOM 0 HB ILE A 81 1.461 14.305 -0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.714 16.077 -1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.254 15.955 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.623 13.981 -1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.611 12.519 -1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.768 13.575 -3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.102 17.806 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.109 16.557 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.374 16.682 0.050 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.310 15.501 -2.806 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.398 16.463 -2.675 1.00 0.00 C ATOM 1277 C GLN A 82 -3.730 15.836 -3.074 1.00 0.00 C ATOM 1278 O GLN A 82 -4.793 16.283 -2.643 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.123 17.697 -3.536 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.592 17.365 -4.921 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.442 18.593 -5.798 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.379 18.998 -6.486 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.258 19.194 -5.778 1.00 0.00 N ATOM 0 H GLN A 82 -0.874 15.480 -3.728 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.458 16.765 -1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.043 18.272 -3.637 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.403 18.335 -3.023 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.625 16.870 -4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.266 16.658 -5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.492 18.825 -5.193 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.098 20.025 -6.348 1.00 0.00 H new ATOM 1292 N THR A 83 -3.665 14.798 -3.902 1.00 0.00 N ATOM 1293 CA THR A 83 -4.865 14.110 -4.361 1.00 0.00 C ATOM 1294 C THR A 83 -5.116 12.842 -3.553 1.00 0.00 C ATOM 1295 O THR A 83 -6.236 12.333 -3.508 1.00 0.00 O ATOM 1296 CB THR A 83 -4.766 13.743 -5.853 1.00 0.00 C ATOM 1297 OG1 THR A 83 -4.951 14.913 -6.659 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.807 12.697 -6.223 1.00 0.00 C ATOM 0 H THR A 83 -2.793 14.415 -4.268 1.00 0.00 H new ATOM 0 HA THR A 83 -5.698 14.799 -4.218 1.00 0.00 H new ATOM 0 HB THR A 83 -3.775 13.328 -6.037 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.164 15.046 -7.228 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.718 12.454 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.646 11.797 -5.629 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.804 13.090 -6.024 1.00 0.00 H new ATOM 1306 N LEU A 84 -4.066 12.336 -2.914 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.172 11.127 -2.106 1.00 0.00 C ATOM 1308 C LEU A 84 -4.419 11.471 -0.641 1.00 0.00 C ATOM 1309 O LEU A 84 -4.698 10.592 0.175 1.00 0.00 O ATOM 1310 CB LEU A 84 -2.900 10.288 -2.238 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.603 9.733 -3.631 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.208 9.128 -3.679 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.648 8.700 -4.028 1.00 0.00 C ATOM 0 H LEU A 84 -3.132 12.745 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.020 10.549 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.053 10.897 -1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.967 9.452 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.645 10.556 -4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.015 8.738 -4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.471 9.894 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.138 8.318 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.420 8.316 -5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.639 7.879 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.634 9.164 -4.035 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.316 12.754 -0.314 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.531 13.215 1.052 1.00 0.00 C ATOM 1327 C ASP A 85 -5.991 13.046 1.459 1.00 0.00 C ATOM 1328 O ASP A 85 -6.352 13.255 2.617 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.117 14.681 1.190 1.00 0.00 C ATOM 1330 CG ASP A 85 -5.257 15.635 0.894 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -6.033 15.360 -0.045 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -5.374 16.657 1.602 1.00 0.00 O ATOM 0 H ASP A 85 -4.085 13.494 -0.977 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.915 12.608 1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.752 14.859 2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.289 14.887 0.512 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.828 12.668 0.498 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.240 12.478 0.776 1.00 0.00 C ATOM 1339 C GLY A 86 -8.715 11.079 0.437 1.00 0.00 C ATOM 1340 O GLY A 86 -9.915 10.804 0.449 1.00 0.00 O ATOM 0 H GLY A 86 -6.554 12.490 -0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.429 12.677 1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.820 13.203 0.206 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.773 10.194 0.132 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.102 8.817 -0.216 1.00 0.00 C ATOM 1346 C ARG A 87 -8.740 8.095 0.968 1.00 0.00 C ATOM 1347 O ARG A 87 -8.655 8.555 2.107 1.00 0.00 O ATOM 1348 CB ARG A 87 -6.847 8.068 -0.667 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.419 8.397 -2.087 1.00 0.00 C ATOM 1350 CD ARG A 87 -7.081 7.474 -3.098 1.00 0.00 C ATOM 1351 NE ARG A 87 -8.386 7.973 -3.523 1.00 0.00 N ATOM 1352 CZ ARG A 87 -8.998 7.578 -4.634 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -8.426 6.682 -5.427 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -10.184 8.078 -4.953 1.00 0.00 N ATOM 0 H ARG A 87 -6.775 10.406 0.119 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.819 8.838 -1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.029 8.304 0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.027 6.996 -0.590 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.676 9.432 -2.315 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.336 8.312 -2.170 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.434 7.366 -3.968 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.197 6.482 -2.661 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.853 8.663 -2.934 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.514 6.295 -5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.898 6.380 -6.279 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.627 8.767 -4.345 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.653 7.774 -5.806 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.378 6.964 0.690 1.00 0.00 N ATOM 1369 CA TRP A 88 -10.031 6.180 1.732 1.00 0.00 C ATOM 1370 C TRP A 88 -9.558 4.731 1.700 1.00 0.00 C ATOM 1371 O TRP A 88 -9.627 4.068 0.665 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.551 6.236 1.565 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.135 7.576 1.897 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.081 8.705 1.130 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -12.859 7.926 3.081 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.728 9.737 1.767 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.215 9.284 2.965 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.242 7.225 4.227 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -13.934 9.952 3.953 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -13.956 7.889 5.207 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.297 9.240 5.065 1.00 0.00 C ATOM 0 H TRP A 88 -9.457 6.569 -0.247 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.762 6.610 2.697 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.806 5.981 0.536 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -12.008 5.480 2.204 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.601 8.776 0.165 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.829 10.686 1.407 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -12.985 6.183 4.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.196 10.994 3.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.256 7.357 6.098 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -14.857 9.730 5.848 1.00 0.00 H new ATOM 1392 N PHE A 89 -9.076 4.244 2.839 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.591 2.873 2.940 1.00 0.00 C ATOM 1394 C PHE A 89 -9.291 2.130 4.074 1.00 0.00 C ATOM 1395 O PHE A 89 -9.519 2.687 5.147 1.00 0.00 O ATOM 1396 CB PHE A 89 -7.077 2.861 3.165 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.282 2.984 1.897 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.507 4.033 1.021 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.309 2.049 1.581 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -5.777 4.148 -0.147 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.575 2.159 0.414 1.00 0.00 C ATOM 1402 CZ PHE A 89 -4.809 3.210 -0.450 1.00 0.00 C ATOM 0 H PHE A 89 -9.011 4.779 3.705 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.817 2.364 2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.810 3.680 3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.800 1.936 3.670 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.262 4.770 1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.122 1.225 2.254 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.963 4.970 -0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.820 1.424 0.179 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.236 3.299 -1.361 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.629 0.868 3.827 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.300 0.069 4.836 1.00 0.00 C ATOM 1414 C GLY A 90 -11.636 0.656 5.246 1.00 0.00 C ATOM 1415 O GLY A 90 -12.273 0.174 6.182 1.00 0.00 O ATOM 0 H GLY A 90 -9.450 0.385 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.452 -0.940 4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.659 -0.016 5.714 1.00 0.00 H new ATOM 1419 N GLY A 91 -12.061 1.703 4.545 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.327 2.340 4.858 1.00 0.00 C ATOM 1421 C GLY A 91 -13.149 3.737 5.419 1.00 0.00 C ATOM 1422 O GLY A 91 -14.069 4.555 5.369 1.00 0.00 O ATOM 0 H GLY A 91 -11.552 2.121 3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.938 2.389 3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.870 1.729 5.579 1.00 0.00 H new ATOM 1426 N ARG A 92 -11.965 4.011 5.956 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.671 5.318 6.531 1.00 0.00 C ATOM 1428 C ARG A 92 -10.836 6.160 5.571 1.00 0.00 C ATOM 1429 O ARG A 92 -10.337 5.657 4.565 1.00 0.00 O ATOM 1430 CB ARG A 92 -10.934 5.159 7.862 1.00 0.00 C ATOM 1431 CG ARG A 92 -11.400 3.965 8.678 1.00 0.00 C ATOM 1432 CD ARG A 92 -12.625 4.304 9.512 1.00 0.00 C ATOM 1433 NE ARG A 92 -13.868 4.011 8.803 1.00 0.00 N ATOM 1434 CZ ARG A 92 -15.047 4.516 9.148 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -15.144 5.333 10.187 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -16.133 4.203 8.453 1.00 0.00 N ATOM 0 H ARG A 92 -11.194 3.345 6.005 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.617 5.831 6.706 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.866 5.060 7.667 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.068 6.066 8.452 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.631 3.135 8.011 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.594 3.633 9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.597 3.739 10.444 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.601 5.360 9.779 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.828 3.384 7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.312 5.576 10.724 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -16.051 5.719 10.449 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -16.063 3.574 7.653 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -17.038 4.591 8.719 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.688 7.441 5.891 1.00 0.00 N ATOM 1451 CA GLN A 93 -9.914 8.352 5.055 1.00 0.00 C ATOM 1452 C GLN A 93 -8.436 8.313 5.432 1.00 0.00 C ATOM 1453 O GLN A 93 -8.077 7.885 6.529 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.448 9.779 5.188 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.271 10.615 3.931 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.326 12.104 4.208 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.387 12.531 5.361 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.306 12.905 3.149 1.00 0.00 N ATOM 0 H GLN A 93 -11.093 7.872 6.722 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.016 8.029 4.019 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.507 9.739 5.442 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.940 10.272 6.017 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.315 10.370 3.468 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.049 10.354 3.213 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.255 12.509 2.211 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.342 13.917 3.274 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.585 8.760 4.515 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.147 8.777 4.752 1.00 0.00 C ATOM 1469 C ILE A 94 -5.520 10.069 4.239 1.00 0.00 C ATOM 1470 O ILE A 94 -6.016 10.681 3.293 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.452 7.580 4.077 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.181 7.884 2.602 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.302 6.325 4.217 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.651 6.697 1.828 1.00 0.00 C ATOM 0 H ILE A 94 -7.866 9.115 3.601 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.004 8.710 5.831 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.498 7.406 4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.103 8.229 2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.464 8.702 2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.797 5.488 3.735 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.448 6.101 5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.270 6.487 3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.482 6.985 0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.712 6.364 2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.377 5.885 1.865 1.00 0.00 H new ATOM 1486 N THR A 95 -4.425 10.480 4.871 1.00 0.00 N ATOM 1487 CA THR A 95 -3.729 11.699 4.479 1.00 0.00 C ATOM 1488 C THR A 95 -2.416 11.380 3.773 1.00 0.00 C ATOM 1489 O THR A 95 -1.830 10.318 3.982 1.00 0.00 O ATOM 1490 CB THR A 95 -3.439 12.596 5.697 1.00 0.00 C ATOM 1491 OG1 THR A 95 -2.827 13.819 5.270 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.528 11.886 6.688 1.00 0.00 C ATOM 0 H THR A 95 -4.001 9.986 5.657 1.00 0.00 H new ATOM 0 HA THR A 95 -4.387 12.232 3.793 1.00 0.00 H new ATOM 0 HB THR A 95 -4.385 12.817 6.191 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.647 14.385 6.050 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.337 12.539 7.540 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.009 10.971 7.033 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.584 11.639 6.202 1.00 0.00 H new ATOM 1500 N ALA A 96 -1.958 12.306 2.937 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.713 12.124 2.202 1.00 0.00 C ATOM 1502 C ALA A 96 0.199 13.337 2.359 1.00 0.00 C ATOM 1503 O ALA A 96 -0.271 14.454 2.573 1.00 0.00 O ATOM 1504 CB ALA A 96 -1.001 11.865 0.731 1.00 0.00 C ATOM 0 H ALA A 96 -2.431 13.190 2.752 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.198 11.258 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.062 11.731 0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.607 10.964 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.541 12.714 0.311 1.00 0.00 H new ATOM 1510 N GLN A 97 1.504 13.108 2.252 1.00 0.00 N ATOM 1511 CA GLN A 97 2.481 14.182 2.383 1.00 0.00 C ATOM 1512 C GLN A 97 3.843 13.747 1.852 1.00 0.00 C ATOM 1513 O GLN A 97 4.110 12.555 1.703 1.00 0.00 O ATOM 1514 CB GLN A 97 2.604 14.612 3.846 1.00 0.00 C ATOM 1515 CG GLN A 97 2.755 13.448 4.812 1.00 0.00 C ATOM 1516 CD GLN A 97 1.425 12.962 5.353 1.00 0.00 C ATOM 1517 OE1 GLN A 97 0.759 12.095 4.599 1.00 0.00 O flip ATOM 1518 NE2 GLN A 97 0.999 13.362 6.437 1.00 0.00 N flip ATOM 0 H GLN A 97 1.909 12.189 2.075 1.00 0.00 H new ATOM 0 HA GLN A 97 2.134 15.029 1.791 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.464 15.274 3.950 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.722 15.190 4.122 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.260 12.625 4.307 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.392 13.751 5.643 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.543 14.029 6.984 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.102 13.027 6.788 1.00 0.00 H new ATOM 1527 N ALA A 98 4.701 14.722 1.568 1.00 0.00 N ATOM 1528 CA ALA A 98 6.035 14.440 1.056 1.00 0.00 C ATOM 1529 C ALA A 98 7.025 14.217 2.194 1.00 0.00 C ATOM 1530 O ALA A 98 7.150 15.050 3.092 1.00 0.00 O ATOM 1531 CB ALA A 98 6.507 15.574 0.158 1.00 0.00 C ATOM 0 H ALA A 98 4.495 15.714 1.684 1.00 0.00 H new ATOM 0 HA ALA A 98 5.985 13.523 0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.505 15.349 -0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.820 15.684 -0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.534 16.503 0.728 1.00 0.00 H new ATOM 1537 N TRP A 99 7.725 13.090 2.152 1.00 0.00 N ATOM 1538 CA TRP A 99 8.703 12.758 3.181 1.00 0.00 C ATOM 1539 C TRP A 99 10.028 13.466 2.921 1.00 0.00 C ATOM 1540 O TRP A 99 10.398 13.710 1.773 1.00 0.00 O ATOM 1541 CB TRP A 99 8.922 11.245 3.237 1.00 0.00 C ATOM 1542 CG TRP A 99 9.815 10.815 4.362 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.713 11.180 5.674 1.00 0.00 C ATOM 1544 CD2 TRP A 99 10.945 9.941 4.273 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.712 10.586 6.406 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.481 9.820 5.570 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.556 9.248 3.225 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.598 9.035 5.843 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.664 8.469 3.498 1.00 0.00 C ATOM 1550 CH2 TRP A 99 13.176 8.367 4.798 1.00 0.00 C ATOM 0 H TRP A 99 7.634 12.390 1.416 1.00 0.00 H new ATOM 0 HA TRP A 99 8.313 13.097 4.141 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.957 10.749 3.339 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.353 10.912 2.293 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.958 11.839 6.077 1.00 0.00 H new ATOM 0 HE1 TRP A 99 10.858 10.697 7.409 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.169 9.320 2.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 12.994 8.956 6.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 13.144 7.929 2.695 1.00 0.00 H new ATOM 0 HH2 TRP A 99 14.043 7.749 4.979 1.00 0.00 H new ATOM 1561 N ASP A 100 10.739 13.794 3.995 1.00 0.00 N ATOM 1562 CA ASP A 100 12.025 14.474 3.882 1.00 0.00 C ATOM 1563 C ASP A 100 13.176 13.504 4.129 1.00 0.00 C ATOM 1564 O ASP A 100 13.953 13.203 3.224 1.00 0.00 O ATOM 1565 CB ASP A 100 12.099 15.636 4.873 1.00 0.00 C ATOM 1566 CG ASP A 100 11.495 16.911 4.317 1.00 0.00 C ATOM 1567 OD1 ASP A 100 11.850 17.288 3.181 1.00 0.00 O ATOM 1568 OD2 ASP A 100 10.669 17.532 5.018 1.00 0.00 O ATOM 0 H ASP A 100 10.447 13.600 4.953 1.00 0.00 H new ATOM 0 HA ASP A 100 12.115 14.865 2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.579 15.361 5.790 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.140 15.817 5.139 1.00 0.00 H new ATOM 1573 N GLY A 101 13.279 13.018 5.363 1.00 0.00 N ATOM 1574 CA GLY A 101 14.339 12.088 5.707 1.00 0.00 C ATOM 1575 C GLY A 101 14.741 12.182 7.165 1.00 0.00 C ATOM 1576 O GLY A 101 15.906 12.429 7.482 1.00 0.00 O ATOM 0 H GLY A 101 12.648 13.252 6.130 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.012 11.072 5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.209 12.285 5.080 1.00 0.00 H new ATOM 1580 N THR A 102 13.776 11.986 8.058 1.00 0.00 N ATOM 1581 CA THR A 102 14.034 12.052 9.491 1.00 0.00 C ATOM 1582 C THR A 102 13.394 10.876 10.220 1.00 0.00 C ATOM 1583 O THR A 102 13.947 10.358 11.190 1.00 0.00 O ATOM 1584 CB THR A 102 13.506 13.366 10.096 1.00 0.00 C ATOM 1585 OG1 THR A 102 13.555 13.301 11.526 1.00 0.00 O ATOM 1586 CG2 THR A 102 12.079 13.635 9.645 1.00 0.00 C ATOM 0 H THR A 102 12.807 11.780 7.813 1.00 0.00 H new ATOM 0 HA THR A 102 15.116 12.010 9.620 1.00 0.00 H new ATOM 0 HB THR A 102 14.140 14.181 9.747 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.219 14.141 11.903 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.728 14.568 10.085 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.049 13.713 8.558 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.435 12.817 9.968 1.00 0.00 H new ATOM 1594 N THR A 103 12.224 10.458 9.747 1.00 0.00 N ATOM 1595 CA THR A 103 11.508 9.344 10.354 1.00 0.00 C ATOM 1596 C THR A 103 12.356 8.077 10.348 1.00 0.00 C ATOM 1597 O THR A 103 13.234 7.911 9.502 1.00 0.00 O ATOM 1598 CB THR A 103 10.181 9.063 9.623 1.00 0.00 C ATOM 1599 OG1 THR A 103 9.287 8.353 10.487 1.00 0.00 O ATOM 1600 CG2 THR A 103 10.421 8.255 8.357 1.00 0.00 C ATOM 0 H THR A 103 11.752 10.875 8.945 1.00 0.00 H new ATOM 0 HA THR A 103 11.293 9.630 11.384 1.00 0.00 H new ATOM 0 HB THR A 103 9.735 10.018 9.345 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.449 8.172 10.013 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.470 8.069 7.858 1.00 0.00 H new ATOM 0 HG22 THR A 103 11.078 8.812 7.689 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.887 7.304 8.615 1.00 0.00 H new ATOM 1608 N ASP A 104 12.087 7.186 11.296 1.00 0.00 N ATOM 1609 CA ASP A 104 12.824 5.932 11.399 1.00 0.00 C ATOM 1610 C ASP A 104 11.910 4.740 11.135 1.00 0.00 C ATOM 1611 O ASP A 104 12.177 3.627 11.588 1.00 0.00 O ATOM 1612 CB ASP A 104 13.464 5.804 12.782 1.00 0.00 C ATOM 1613 CG ASP A 104 14.822 6.474 12.856 1.00 0.00 C ATOM 1614 OD1 ASP A 104 15.750 6.011 12.162 1.00 0.00 O ATOM 1615 OD2 ASP A 104 14.956 7.461 13.610 1.00 0.00 O ATOM 0 H ASP A 104 11.364 7.309 12.004 1.00 0.00 H new ATOM 0 HA ASP A 104 13.609 5.938 10.643 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.803 6.246 13.527 1.00 0.00 H new ATOM 0 HB3 ASP A 104 13.568 4.749 13.035 1.00 0.00 H new ATOM 1620 N TYR A 105 10.829 4.982 10.401 1.00 0.00 N ATOM 1621 CA TYR A 105 9.873 3.929 10.079 1.00 0.00 C ATOM 1622 C TYR A 105 10.582 2.704 9.511 1.00 0.00 C ATOM 1623 O TYR A 105 10.611 1.645 10.138 1.00 0.00 O ATOM 1624 CB TYR A 105 8.835 4.442 9.079 1.00 0.00 C ATOM 1625 CG TYR A 105 8.029 5.614 9.590 1.00 0.00 C ATOM 1626 CD1 TYR A 105 7.496 5.609 10.873 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.798 6.726 8.789 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.758 6.678 11.344 1.00 0.00 C ATOM 1629 CE2 TYR A 105 7.062 7.799 9.252 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.544 7.771 10.530 1.00 0.00 C ATOM 1631 OH TYR A 105 5.810 8.837 10.995 1.00 0.00 O ATOM 0 H TYR A 105 10.593 5.898 10.018 1.00 0.00 H new ATOM 0 HA TYR A 105 9.368 3.638 11.000 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.342 4.734 8.159 1.00 0.00 H new ATOM 0 HB3 TYR A 105 8.156 3.629 8.824 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.661 4.755 11.513 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.201 6.751 7.787 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.351 6.658 12.344 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.893 8.656 8.617 1.00 0.00 H new ATOM 0 HH TYR A 105 5.754 9.524 10.299 1.00 0.00 H new