USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=16 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 79 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 83 THR OG1 : rot 133:sc= 1.36 USER MOD Set 2.1: A 21 LYS NZ :NH3+ 179:sc= 0.0297 (180deg=0) USER MOD Set 2.2: A 105 TYR OH : rot 165:sc= 0.0308 USER MOD Single : A 22 ASN : amide:sc= 0.00787 X(o=0.0079,f=0) USER MOD Single : A 23 MET CE :methyl -141:sc= -5.91! (180deg=-12.3!) USER MOD Single : A 25 HIS : no HD1:sc= -4.08! C(o=-4.1!,f=-8.2!) USER MOD Single : A 27 MET CE :methyl -155:sc= -1.99! (180deg=-3.89!) USER MOD Single : A 37 ASN : amide:sc= -0.532 X(o=-0.53,f=-0.072) USER MOD Single : A 47 CYS SG : rot 91:sc= -5.42! USER MOD Single : A 48 SER OG : rot 180:sc= 0 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=-0.089) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS :FLIP no HE2:sc= -5.07! C(o=-5.8!,f=-5.1!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 82:sc= -0.0374 USER MOD Single : A 80 CYS SG : rot -48:sc= -2.89! USER MOD Single : A 82 GLN : amide:sc= -0.721 X(o=-0.72,f=-0.9) USER MOD Single : A 93 GLN : amide:sc= -2.07! C(o=-2.1!,f=-2.6!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN :FLIP amide:sc= -4.78! C(o=-10!,f=-4.8!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -142:sc= 2.06 USER MOD ----------------------------------------------------------------- ATOM 219 N VAL A 17 9.199 10.759 -2.146 1.00 0.00 N ATOM 220 CA VAL A 17 8.467 9.775 -1.358 1.00 0.00 C ATOM 221 C VAL A 17 7.320 10.426 -0.593 1.00 0.00 C ATOM 222 O VAL A 17 7.426 11.569 -0.148 1.00 0.00 O ATOM 223 CB VAL A 17 9.392 9.054 -0.360 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.597 8.086 0.502 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.510 8.331 -1.096 1.00 0.00 C ATOM 0 HA VAL A 17 8.063 9.045 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 17 9.842 9.800 0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.268 7.586 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.836 8.634 1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.116 7.343 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.154 7.827 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.081 7.595 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.097 9.052 -1.665 1.00 0.00 H new ATOM 235 N VAL A 18 6.223 9.690 -0.443 1.00 0.00 N ATOM 236 CA VAL A 18 5.056 10.195 0.271 1.00 0.00 C ATOM 237 C VAL A 18 4.630 9.235 1.375 1.00 0.00 C ATOM 238 O VAL A 18 4.749 8.017 1.234 1.00 0.00 O ATOM 239 CB VAL A 18 3.869 10.422 -0.684 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.341 11.065 -1.979 1.00 0.00 C ATOM 241 CG2 VAL A 18 3.151 9.110 -0.962 1.00 0.00 C ATOM 0 H VAL A 18 6.118 8.743 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 18 5.344 11.149 0.714 1.00 0.00 H new ATOM 0 HB VAL A 18 3.164 11.101 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.489 11.218 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.807 12.026 -1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.066 10.413 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.315 9.289 -1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.845 8.406 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.778 8.694 -0.026 1.00 0.00 H new ATOM 251 N ILE A 19 4.131 9.790 2.474 1.00 0.00 N ATOM 252 CA ILE A 19 3.685 8.983 3.603 1.00 0.00 C ATOM 253 C ILE A 19 2.169 9.047 3.760 1.00 0.00 C ATOM 254 O ILE A 19 1.537 10.031 3.374 1.00 0.00 O ATOM 255 CB ILE A 19 4.346 9.438 4.917 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.854 9.608 4.723 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.059 8.439 6.028 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.516 8.419 4.064 1.00 0.00 C ATOM 0 H ILE A 19 4.025 10.796 2.607 1.00 0.00 H new ATOM 0 HA ILE A 19 3.983 7.956 3.393 1.00 0.00 H new ATOM 0 HB ILE A 19 3.925 10.402 5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.036 10.496 4.118 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.320 9.781 5.693 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.533 8.775 6.950 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.982 8.363 6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.456 7.462 5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.584 8.609 3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.365 7.532 4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.077 8.258 3.079 1.00 0.00 H new ATOM 270 N ILE A 20 1.593 7.994 4.330 1.00 0.00 N ATOM 271 CA ILE A 20 0.152 7.933 4.541 1.00 0.00 C ATOM 272 C ILE A 20 -0.177 7.473 5.957 1.00 0.00 C ATOM 273 O ILE A 20 0.477 6.582 6.500 1.00 0.00 O ATOM 274 CB ILE A 20 -0.524 6.984 3.534 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.138 7.106 2.160 1.00 0.00 C ATOM 276 CG2 ILE A 20 -2.012 7.285 3.439 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.297 8.330 1.386 1.00 0.00 C ATOM 0 H ILE A 20 2.102 7.172 4.654 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.232 8.942 4.391 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.402 5.959 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.220 7.133 2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.092 6.216 1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.476 6.606 2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.473 7.151 4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.155 8.314 3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.212 8.351 0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.375 8.295 1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.043 9.227 1.951 1.00 0.00 H new ATOM 289 N LYS A 21 -1.196 8.085 6.550 1.00 0.00 N ATOM 290 CA LYS A 21 -1.616 7.737 7.902 1.00 0.00 C ATOM 291 C LYS A 21 -3.088 7.338 7.929 1.00 0.00 C ATOM 292 O LYS A 21 -3.877 7.783 7.097 1.00 0.00 O ATOM 293 CB LYS A 21 -1.379 8.915 8.850 1.00 0.00 C ATOM 294 CG LYS A 21 -0.044 8.855 9.572 1.00 0.00 C ATOM 295 CD LYS A 21 1.120 8.973 8.603 1.00 0.00 C ATOM 296 CE LYS A 21 2.453 9.004 9.334 1.00 0.00 C ATOM 297 NZ LYS A 21 2.709 10.327 9.966 1.00 0.00 N ATOM 0 H LYS A 21 -1.747 8.825 6.115 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.021 6.886 8.233 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.434 9.844 8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.181 8.944 9.588 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.010 9.659 10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.032 7.916 10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.104 8.132 7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.009 9.880 8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.466 8.228 10.099 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.256 8.775 8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.619 10.301 10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.739 11.063 9.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.947 10.543 10.641 1.00 0.00 H new ATOM 311 N ASN A 22 -3.451 6.496 8.891 1.00 0.00 N ATOM 312 CA ASN A 22 -4.829 6.038 9.027 1.00 0.00 C ATOM 313 C ASN A 22 -5.285 5.306 7.768 1.00 0.00 C ATOM 314 O ASN A 22 -6.391 5.527 7.276 1.00 0.00 O ATOM 315 CB ASN A 22 -5.757 7.221 9.307 1.00 0.00 C ATOM 316 CG ASN A 22 -6.956 6.829 10.148 1.00 0.00 C ATOM 317 OD1 ASN A 22 -6.821 6.501 11.327 1.00 0.00 O ATOM 318 ND2 ASN A 22 -8.138 6.862 9.544 1.00 0.00 N ATOM 0 H ASN A 22 -2.810 6.117 9.588 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.874 5.344 9.866 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.198 8.004 9.819 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.101 7.641 8.362 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.981 6.609 10.059 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.203 7.140 8.565 1.00 0.00 H new ATOM 325 N MET A 23 -4.425 4.434 7.252 1.00 0.00 N ATOM 326 CA MET A 23 -4.740 3.668 6.052 1.00 0.00 C ATOM 327 C MET A 23 -4.830 2.178 6.365 1.00 0.00 C ATOM 328 O MET A 23 -5.378 1.401 5.583 1.00 0.00 O ATOM 329 CB MET A 23 -3.683 3.912 4.974 1.00 0.00 C ATOM 330 CG MET A 23 -2.264 3.619 5.436 1.00 0.00 C ATOM 331 SD MET A 23 -1.167 3.181 4.075 1.00 0.00 S ATOM 332 CE MET A 23 -2.118 1.891 3.274 1.00 0.00 C ATOM 0 H MET A 23 -3.504 4.240 7.646 1.00 0.00 H new ATOM 0 HA MET A 23 -5.710 4.002 5.682 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.910 3.291 4.107 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.743 4.950 4.647 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.866 4.493 5.951 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.283 2.804 6.159 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.448 1.099 2.940 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.841 1.481 3.979 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.645 2.307 2.415 1.00 0.00 H new ATOM 342 N PHE A 24 -4.288 1.786 7.514 1.00 0.00 N ATOM 343 CA PHE A 24 -4.306 0.388 7.930 1.00 0.00 C ATOM 344 C PHE A 24 -3.906 0.252 9.396 1.00 0.00 C ATOM 345 O PHE A 24 -3.574 1.238 10.055 1.00 0.00 O ATOM 346 CB PHE A 24 -3.363 -0.439 7.053 1.00 0.00 C ATOM 347 CG PHE A 24 -1.912 -0.111 7.258 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.236 -0.569 8.377 1.00 0.00 C ATOM 349 CD2 PHE A 24 -1.224 0.656 6.331 1.00 0.00 C ATOM 350 CE1 PHE A 24 0.099 -0.267 8.568 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.112 0.960 6.517 1.00 0.00 C ATOM 352 CZ PHE A 24 0.774 0.497 7.636 1.00 0.00 C ATOM 0 H PHE A 24 -3.831 2.416 8.173 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.323 0.013 7.813 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.521 -1.497 7.261 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.619 -0.278 6.006 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.758 -1.169 9.108 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.737 1.020 5.453 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.614 -0.628 9.446 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.637 1.559 5.788 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.818 0.732 7.783 1.00 0.00 H new ATOM 362 N HIS A 25 -3.941 -0.977 9.901 1.00 0.00 N ATOM 363 CA HIS A 25 -3.582 -1.244 11.289 1.00 0.00 C ATOM 364 C HIS A 25 -2.935 -2.618 11.429 1.00 0.00 C ATOM 365 O HIS A 25 -3.346 -3.592 10.796 1.00 0.00 O ATOM 366 CB HIS A 25 -4.819 -1.156 12.183 1.00 0.00 C ATOM 367 CG HIS A 25 -4.513 -0.746 13.591 1.00 0.00 C ATOM 368 ND1 HIS A 25 -4.285 -1.652 14.606 1.00 0.00 N ATOM 369 CD2 HIS A 25 -4.397 0.481 14.150 1.00 0.00 C ATOM 370 CE1 HIS A 25 -4.043 -0.999 15.728 1.00 0.00 C ATOM 371 NE2 HIS A 25 -4.104 0.296 15.479 1.00 0.00 N ATOM 0 H HIS A 25 -4.214 -1.804 9.370 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.861 -0.490 11.603 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.520 -0.443 11.750 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.318 -2.125 12.196 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.513 1.429 13.645 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.831 -1.448 16.687 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -3.957 1.039 16.163 1.00 0.00 H new ATOM 379 N PRO A 26 -1.899 -2.702 12.276 1.00 0.00 N ATOM 380 CA PRO A 26 -1.173 -3.952 12.518 1.00 0.00 C ATOM 381 C PRO A 26 -2.010 -4.969 13.287 1.00 0.00 C ATOM 382 O PRO A 26 -1.536 -6.057 13.613 1.00 0.00 O ATOM 383 CB PRO A 26 0.030 -3.508 13.353 1.00 0.00 C ATOM 384 CG PRO A 26 -0.416 -2.256 14.025 1.00 0.00 C ATOM 385 CD PRO A 26 -1.355 -1.582 13.063 1.00 0.00 C ATOM 0 HA PRO A 26 -0.902 -4.452 11.588 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.309 -4.270 14.081 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.904 -3.331 12.726 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.916 -2.476 14.968 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.433 -1.613 14.256 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.142 -1.038 13.585 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.835 -0.862 12.431 1.00 0.00 H new ATOM 393 N MET A 27 -3.256 -4.607 13.574 1.00 0.00 N ATOM 394 CA MET A 27 -4.159 -5.489 14.304 1.00 0.00 C ATOM 395 C MET A 27 -5.034 -6.287 13.343 1.00 0.00 C ATOM 396 O MET A 27 -5.439 -7.410 13.645 1.00 0.00 O ATOM 397 CB MET A 27 -5.037 -4.678 15.258 1.00 0.00 C ATOM 398 CG MET A 27 -5.824 -5.535 16.237 1.00 0.00 C ATOM 399 SD MET A 27 -4.925 -5.841 17.770 1.00 0.00 S ATOM 400 CE MET A 27 -3.648 -6.957 17.197 1.00 0.00 C ATOM 0 H MET A 27 -3.663 -3.709 13.312 1.00 0.00 H new ATOM 0 HA MET A 27 -3.555 -6.188 14.883 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.408 -3.986 15.818 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.733 -4.075 14.674 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.769 -5.043 16.467 1.00 0.00 H new ATOM 0 HG3 MET A 27 -6.067 -6.488 15.766 1.00 0.00 H new ATOM 0 HE1 MET A 27 -3.302 -7.572 18.028 1.00 0.00 H new ATOM 0 HE2 MET A 27 -4.051 -7.599 16.414 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.812 -6.381 16.800 1.00 0.00 H new ATOM 410 N ASP A 28 -5.321 -5.701 12.186 1.00 0.00 N ATOM 411 CA ASP A 28 -6.148 -6.359 11.181 1.00 0.00 C ATOM 412 C ASP A 28 -5.384 -7.495 10.508 1.00 0.00 C ATOM 413 O ASP A 28 -5.956 -8.536 10.185 1.00 0.00 O ATOM 414 CB ASP A 28 -6.612 -5.348 10.131 1.00 0.00 C ATOM 415 CG ASP A 28 -7.155 -4.076 10.752 1.00 0.00 C ATOM 416 OD1 ASP A 28 -8.033 -4.174 11.635 1.00 0.00 O ATOM 417 OD2 ASP A 28 -6.701 -2.982 10.357 1.00 0.00 O ATOM 0 H ASP A 28 -4.994 -4.772 11.921 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.021 -6.778 11.682 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.777 -5.101 9.475 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.383 -5.803 9.509 1.00 0.00 H new ATOM 422 N PHE A 29 -4.088 -7.287 10.298 1.00 0.00 N ATOM 423 CA PHE A 29 -3.246 -8.293 9.661 1.00 0.00 C ATOM 424 C PHE A 29 -3.135 -9.540 10.533 1.00 0.00 C ATOM 425 O PHE A 29 -2.914 -10.642 10.032 1.00 0.00 O ATOM 426 CB PHE A 29 -1.853 -7.723 9.387 1.00 0.00 C ATOM 427 CG PHE A 29 -1.872 -6.306 8.888 1.00 0.00 C ATOM 428 CD1 PHE A 29 -2.795 -5.906 7.935 1.00 0.00 C ATOM 429 CD2 PHE A 29 -0.969 -5.374 9.374 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.814 -4.603 7.474 1.00 0.00 C ATOM 431 CE2 PHE A 29 -0.984 -4.070 8.917 1.00 0.00 C ATOM 432 CZ PHE A 29 -1.909 -3.684 7.966 1.00 0.00 C ATOM 0 H PHE A 29 -3.598 -6.431 10.560 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.709 -8.573 8.715 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.264 -7.769 10.303 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.350 -8.352 8.652 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.507 -6.620 7.548 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.245 -5.670 10.119 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.537 -4.304 6.729 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.274 -3.354 9.303 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.924 -2.665 7.608 1.00 0.00 H new ATOM 442 N GLU A 30 -3.289 -9.357 11.841 1.00 0.00 N ATOM 443 CA GLU A 30 -3.205 -10.467 12.783 1.00 0.00 C ATOM 444 C GLU A 30 -4.408 -11.394 12.641 1.00 0.00 C ATOM 445 O GLU A 30 -4.327 -12.585 12.941 1.00 0.00 O ATOM 446 CB GLU A 30 -3.118 -9.942 14.217 1.00 0.00 C ATOM 447 CG GLU A 30 -1.946 -9.003 14.452 1.00 0.00 C ATOM 448 CD GLU A 30 -0.696 -9.731 14.903 1.00 0.00 C ATOM 449 OE1 GLU A 30 0.031 -10.258 14.035 1.00 0.00 O ATOM 450 OE2 GLU A 30 -0.444 -9.775 16.126 1.00 0.00 O ATOM 0 H GLU A 30 -3.472 -8.451 12.272 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.303 -11.035 12.556 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.044 -9.422 14.461 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.038 -10.788 14.900 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.732 -8.458 13.533 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.223 -8.264 15.204 1.00 0.00 H new ATOM 457 N ASP A 31 -5.524 -10.838 12.181 1.00 0.00 N ATOM 458 CA ASP A 31 -6.746 -11.614 11.998 1.00 0.00 C ATOM 459 C ASP A 31 -6.816 -12.192 10.588 1.00 0.00 C ATOM 460 O ASP A 31 -7.391 -13.259 10.373 1.00 0.00 O ATOM 461 CB ASP A 31 -7.973 -10.743 12.268 1.00 0.00 C ATOM 462 CG ASP A 31 -9.247 -11.351 11.715 1.00 0.00 C ATOM 463 OD1 ASP A 31 -9.343 -12.596 11.677 1.00 0.00 O ATOM 464 OD2 ASP A 31 -10.149 -10.582 11.321 1.00 0.00 O ATOM 0 H ASP A 31 -5.608 -9.853 11.928 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.733 -12.440 12.709 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.081 -10.595 13.343 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.821 -9.759 11.825 1.00 0.00 H new ATOM 469 N ASP A 32 -6.230 -11.480 9.633 1.00 0.00 N ATOM 470 CA ASP A 32 -6.226 -11.922 8.243 1.00 0.00 C ATOM 471 C ASP A 32 -5.243 -11.101 7.414 1.00 0.00 C ATOM 472 O ASP A 32 -5.148 -9.881 7.548 1.00 0.00 O ATOM 473 CB ASP A 32 -7.630 -11.813 7.647 1.00 0.00 C ATOM 474 CG ASP A 32 -8.438 -13.082 7.833 1.00 0.00 C ATOM 475 OD1 ASP A 32 -7.866 -14.180 7.668 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.643 -12.977 8.145 1.00 0.00 O ATOM 0 H ASP A 32 -5.751 -10.594 9.795 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.910 -12.965 8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.156 -10.980 8.113 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.554 -11.587 6.583 1.00 0.00 H new ATOM 481 N PRO A 33 -4.492 -11.785 6.538 1.00 0.00 N ATOM 482 CA PRO A 33 -3.502 -11.139 5.671 1.00 0.00 C ATOM 483 C PRO A 33 -4.150 -10.277 4.592 1.00 0.00 C ATOM 484 O PRO A 33 -3.656 -9.198 4.265 1.00 0.00 O ATOM 485 CB PRO A 33 -2.761 -12.319 5.038 1.00 0.00 C ATOM 486 CG PRO A 33 -3.736 -13.445 5.079 1.00 0.00 C ATOM 487 CD PRO A 33 -4.552 -13.241 6.326 1.00 0.00 C ATOM 0 HA PRO A 33 -2.855 -10.460 6.227 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.459 -12.094 4.015 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.854 -12.560 5.592 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.371 -13.444 4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.222 -14.406 5.102 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.578 -13.586 6.196 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.136 -13.788 7.172 1.00 0.00 H new ATOM 495 N LEU A 34 -5.260 -10.760 4.044 1.00 0.00 N ATOM 496 CA LEU A 34 -5.977 -10.033 3.002 1.00 0.00 C ATOM 497 C LEU A 34 -5.942 -8.531 3.263 1.00 0.00 C ATOM 498 O LEU A 34 -5.615 -7.743 2.376 1.00 0.00 O ATOM 499 CB LEU A 34 -7.427 -10.514 2.923 1.00 0.00 C ATOM 500 CG LEU A 34 -7.662 -11.813 2.152 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.752 -11.539 0.659 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.555 -12.816 2.446 1.00 0.00 C ATOM 0 H LEU A 34 -5.683 -11.651 4.304 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.482 -10.229 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.801 -10.645 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.025 -9.728 2.462 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.609 -12.241 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.919 -12.475 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.580 -10.857 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.821 -11.088 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.739 -13.735 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.595 -12.396 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.538 -13.037 3.513 1.00 0.00 H new ATOM 514 N VAL A 35 -6.279 -8.140 4.488 1.00 0.00 N ATOM 515 CA VAL A 35 -6.282 -6.732 4.868 1.00 0.00 C ATOM 516 C VAL A 35 -5.041 -6.019 4.345 1.00 0.00 C ATOM 517 O VAL A 35 -5.139 -5.018 3.633 1.00 0.00 O ATOM 518 CB VAL A 35 -6.352 -6.563 6.397 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.480 -5.093 6.767 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.508 -7.369 6.970 1.00 0.00 C ATOM 0 H VAL A 35 -6.554 -8.779 5.234 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.170 -6.286 4.420 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.426 -6.942 6.830 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.528 -4.994 7.851 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.615 -4.546 6.390 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.388 -4.684 6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.542 -7.238 8.052 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.445 -7.023 6.533 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.367 -8.424 6.737 1.00 0.00 H new ATOM 530 N LEU A 36 -3.872 -6.540 4.701 1.00 0.00 N ATOM 531 CA LEU A 36 -2.608 -5.953 4.267 1.00 0.00 C ATOM 532 C LEU A 36 -2.436 -6.088 2.758 1.00 0.00 C ATOM 533 O LEU A 36 -1.855 -5.218 2.110 1.00 0.00 O ATOM 534 CB LEU A 36 -1.438 -6.624 4.988 1.00 0.00 C ATOM 535 CG LEU A 36 -0.100 -5.885 4.928 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.077 -4.741 5.930 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.052 -6.846 5.185 1.00 0.00 C ATOM 0 H LEU A 36 -3.773 -7.368 5.289 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.622 -4.893 4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.710 -6.757 6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.300 -7.619 4.566 1.00 0.00 H new ATOM 0 HG LEU A 36 0.018 -5.467 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.882 -4.227 5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.879 -4.040 5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.218 -5.136 6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.996 -6.303 5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.939 -7.294 6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.047 -7.631 4.428 1.00 0.00 H new ATOM 549 N ASN A 37 -2.946 -7.183 2.204 1.00 0.00 N ATOM 550 CA ASN A 37 -2.850 -7.430 0.770 1.00 0.00 C ATOM 551 C ASN A 37 -3.583 -6.350 -0.019 1.00 0.00 C ATOM 552 O ASN A 37 -2.978 -5.628 -0.810 1.00 0.00 O ATOM 553 CB ASN A 37 -3.426 -8.806 0.430 1.00 0.00 C ATOM 554 CG ASN A 37 -2.421 -9.923 0.643 1.00 0.00 C ATOM 555 OD1 ASN A 37 -1.342 -9.923 0.051 1.00 0.00 O ATOM 556 ND2 ASN A 37 -2.774 -10.881 1.492 1.00 0.00 N ATOM 0 H ASN A 37 -3.430 -7.913 2.726 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.796 -7.405 0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.306 -8.991 1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.757 -8.812 -0.609 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.140 -11.658 1.676 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.679 -10.839 1.960 1.00 0.00 H new ATOM 563 N GLU A 38 -4.890 -6.247 0.204 1.00 0.00 N ATOM 564 CA GLU A 38 -5.705 -5.255 -0.487 1.00 0.00 C ATOM 565 C GLU A 38 -5.163 -3.847 -0.255 1.00 0.00 C ATOM 566 O GLU A 38 -5.081 -3.042 -1.183 1.00 0.00 O ATOM 567 CB GLU A 38 -7.158 -5.337 -0.014 1.00 0.00 C ATOM 568 CG GLU A 38 -7.308 -5.864 1.403 1.00 0.00 C ATOM 569 CD GLU A 38 -8.504 -5.272 2.122 1.00 0.00 C ATOM 570 OE1 GLU A 38 -9.645 -5.666 1.798 1.00 0.00 O ATOM 571 OE2 GLU A 38 -8.301 -4.416 3.008 1.00 0.00 O ATOM 0 H GLU A 38 -5.406 -6.837 0.857 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.665 -5.470 -1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.607 -4.346 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.717 -5.981 -0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.407 -6.949 1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.403 -5.641 1.967 1.00 0.00 H new ATOM 578 N ILE A 39 -4.794 -3.560 0.989 1.00 0.00 N ATOM 579 CA ILE A 39 -4.259 -2.251 1.343 1.00 0.00 C ATOM 580 C ILE A 39 -2.963 -1.965 0.592 1.00 0.00 C ATOM 581 O ILE A 39 -2.838 -0.946 -0.088 1.00 0.00 O ATOM 582 CB ILE A 39 -3.997 -2.140 2.856 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.312 -2.249 3.632 1.00 0.00 C ATOM 584 CG2 ILE A 39 -3.293 -0.830 3.178 1.00 0.00 C ATOM 585 CD1 ILE A 39 -5.124 -2.604 5.091 1.00 0.00 C ATOM 0 H ILE A 39 -4.856 -4.216 1.768 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.011 -1.516 1.058 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.348 -2.962 3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.845 -1.301 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.941 -3.004 3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.115 -0.767 4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.341 -0.789 2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.918 0.006 2.864 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.097 -2.664 5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.619 -3.567 5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.521 -1.837 5.577 1.00 0.00 H new ATOM 597 N ARG A 40 -2.000 -2.873 0.718 1.00 0.00 N ATOM 598 CA ARG A 40 -0.713 -2.719 0.051 1.00 0.00 C ATOM 599 C ARG A 40 -0.901 -2.478 -1.444 1.00 0.00 C ATOM 600 O ARG A 40 -0.495 -1.442 -1.971 1.00 0.00 O ATOM 601 CB ARG A 40 0.152 -3.961 0.273 1.00 0.00 C ATOM 602 CG ARG A 40 1.596 -3.785 -0.168 1.00 0.00 C ATOM 603 CD ARG A 40 1.821 -4.331 -1.569 1.00 0.00 C ATOM 604 NE ARG A 40 3.210 -4.727 -1.785 1.00 0.00 N ATOM 605 CZ ARG A 40 3.753 -5.820 -1.261 1.00 0.00 C ATOM 606 NH1 ARG A 40 3.028 -6.622 -0.494 1.00 0.00 N ATOM 607 NH2 ARG A 40 5.024 -6.113 -1.504 1.00 0.00 N ATOM 0 H ARG A 40 -2.087 -3.723 1.276 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.210 -1.853 0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.133 -4.222 1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.285 -4.799 -0.270 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.859 -2.728 -0.142 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.256 -4.295 0.533 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.170 -5.190 -1.733 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.541 -3.574 -2.302 1.00 0.00 H new ATOM 0 HE ARG A 40 3.795 -4.131 -2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.050 -6.400 -0.305 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.448 -7.461 -0.093 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.585 -5.499 -2.094 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.440 -6.953 -1.101 1.00 0.00 H new ATOM 621 N GLU A 41 -1.518 -3.441 -2.121 1.00 0.00 N ATOM 622 CA GLU A 41 -1.758 -3.332 -3.555 1.00 0.00 C ATOM 623 C GLU A 41 -2.495 -2.038 -3.887 1.00 0.00 C ATOM 624 O GLU A 41 -2.235 -1.409 -4.913 1.00 0.00 O ATOM 625 CB GLU A 41 -2.566 -4.533 -4.052 1.00 0.00 C ATOM 626 CG GLU A 41 -4.069 -4.315 -4.012 1.00 0.00 C ATOM 627 CD GLU A 41 -4.849 -5.614 -4.057 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.336 -6.632 -3.546 1.00 0.00 O ATOM 629 OE2 GLU A 41 -5.972 -5.613 -4.602 1.00 0.00 O ATOM 0 H GLU A 41 -1.860 -4.305 -1.700 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.791 -3.319 -4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.268 -4.762 -5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.317 -5.404 -3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.329 -3.771 -3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.364 -3.689 -4.854 1.00 0.00 H new ATOM 636 N ASP A 42 -3.415 -1.647 -3.013 1.00 0.00 N ATOM 637 CA ASP A 42 -4.190 -0.427 -3.212 1.00 0.00 C ATOM 638 C ASP A 42 -3.272 0.785 -3.338 1.00 0.00 C ATOM 639 O ASP A 42 -3.461 1.631 -4.213 1.00 0.00 O ATOM 640 CB ASP A 42 -5.167 -0.224 -2.053 1.00 0.00 C ATOM 641 CG ASP A 42 -6.513 -0.874 -2.310 1.00 0.00 C ATOM 642 OD1 ASP A 42 -6.947 -0.894 -3.481 1.00 0.00 O ATOM 643 OD2 ASP A 42 -7.132 -1.361 -1.341 1.00 0.00 O ATOM 0 H ASP A 42 -3.643 -2.157 -2.159 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.754 -0.531 -4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.735 -0.637 -1.141 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.309 0.843 -1.884 1.00 0.00 H new ATOM 648 N LEU A 43 -2.279 0.863 -2.459 1.00 0.00 N ATOM 649 CA LEU A 43 -1.332 1.972 -2.471 1.00 0.00 C ATOM 650 C LEU A 43 -0.486 1.952 -3.740 1.00 0.00 C ATOM 651 O LEU A 43 -0.034 2.995 -4.213 1.00 0.00 O ATOM 652 CB LEU A 43 -0.427 1.909 -1.239 1.00 0.00 C ATOM 653 CG LEU A 43 -0.881 2.728 -0.030 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.108 2.581 1.116 1.00 0.00 C ATOM 655 CD2 LEU A 43 -1.047 4.192 -0.410 1.00 0.00 C ATOM 0 H LEU A 43 -2.109 0.171 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.899 2.902 -2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.336 0.867 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.569 2.245 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.847 2.348 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.232 3.171 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.177 1.532 1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.089 2.935 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.370 4.760 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.095 4.586 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.795 4.281 -1.198 1.00 0.00 H new ATOM 667 N ARG A 44 -0.277 0.759 -4.286 1.00 0.00 N ATOM 668 CA ARG A 44 0.514 0.603 -5.501 1.00 0.00 C ATOM 669 C ARG A 44 -0.318 0.928 -6.738 1.00 0.00 C ATOM 670 O ARG A 44 0.211 1.378 -7.754 1.00 0.00 O ATOM 671 CB ARG A 44 1.059 -0.823 -5.600 1.00 0.00 C ATOM 672 CG ARG A 44 2.340 -0.931 -6.412 1.00 0.00 C ATOM 673 CD ARG A 44 2.989 -2.296 -6.251 1.00 0.00 C ATOM 674 NE ARG A 44 3.798 -2.658 -7.412 1.00 0.00 N ATOM 675 CZ ARG A 44 4.450 -3.810 -7.523 1.00 0.00 C ATOM 676 NH1 ARG A 44 4.388 -4.708 -6.548 1.00 0.00 N ATOM 677 NH2 ARG A 44 5.165 -4.067 -8.610 1.00 0.00 N ATOM 0 H ARG A 44 -0.644 -0.114 -3.907 1.00 0.00 H new ATOM 0 HA ARG A 44 1.349 1.302 -5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.243 -1.203 -4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.299 -1.463 -6.049 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.121 -0.753 -7.465 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.038 -0.156 -6.097 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.615 -2.297 -5.359 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.216 -3.049 -6.099 1.00 0.00 H new ATOM 0 HE ARG A 44 3.866 -1.990 -8.180 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.839 -4.515 -5.711 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.890 -5.592 -6.636 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.215 -3.380 -9.362 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.665 -4.952 -8.694 1.00 0.00 H new ATOM 691 N VAL A 45 -1.624 0.697 -6.643 1.00 0.00 N ATOM 692 CA VAL A 45 -2.530 0.966 -7.753 1.00 0.00 C ATOM 693 C VAL A 45 -3.052 2.398 -7.703 1.00 0.00 C ATOM 694 O VAL A 45 -3.428 2.968 -8.726 1.00 0.00 O ATOM 695 CB VAL A 45 -3.725 -0.005 -7.750 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.280 -1.399 -7.333 1.00 0.00 C ATOM 697 CG2 VAL A 45 -4.826 0.509 -6.834 1.00 0.00 C ATOM 0 H VAL A 45 -2.078 0.324 -5.809 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.958 0.823 -8.670 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.125 -0.066 -8.762 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.138 -2.071 -7.337 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.529 -1.766 -8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.854 -1.360 -6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.663 -0.189 -6.844 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.441 0.600 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.164 1.485 -7.183 1.00 0.00 H new ATOM 707 N GLU A 46 -3.071 2.973 -6.504 1.00 0.00 N ATOM 708 CA GLU A 46 -3.547 4.338 -6.320 1.00 0.00 C ATOM 709 C GLU A 46 -2.500 5.347 -6.785 1.00 0.00 C ATOM 710 O GLU A 46 -2.810 6.286 -7.518 1.00 0.00 O ATOM 711 CB GLU A 46 -3.895 4.588 -4.851 1.00 0.00 C ATOM 712 CG GLU A 46 -2.725 5.097 -4.027 1.00 0.00 C ATOM 713 CD GLU A 46 -3.135 5.511 -2.627 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.330 5.370 -2.293 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.262 5.977 -1.866 1.00 0.00 O ATOM 0 H GLU A 46 -2.762 2.514 -5.647 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.445 4.466 -6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.709 5.311 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.263 3.661 -4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.964 4.319 -3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.270 5.947 -4.535 1.00 0.00 H new ATOM 722 N CYS A 47 -1.261 5.145 -6.351 1.00 0.00 N ATOM 723 CA CYS A 47 -0.168 6.037 -6.721 1.00 0.00 C ATOM 724 C CYS A 47 0.227 5.838 -8.181 1.00 0.00 C ATOM 725 O CYS A 47 0.885 6.690 -8.778 1.00 0.00 O ATOM 726 CB CYS A 47 1.042 5.798 -5.816 1.00 0.00 C ATOM 727 SG CYS A 47 0.741 6.160 -4.070 1.00 0.00 S ATOM 0 H CYS A 47 -0.988 4.372 -5.743 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.511 7.064 -6.593 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.354 4.758 -5.912 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.871 6.413 -6.166 1.00 0.00 H new ATOM 0 HG CYS A 47 0.329 5.084 -3.468 1.00 0.00 H new ATOM 733 N SER A 48 -0.179 4.707 -8.749 1.00 0.00 N ATOM 734 CA SER A 48 0.137 4.393 -10.137 1.00 0.00 C ATOM 735 C SER A 48 -0.813 5.116 -11.087 1.00 0.00 C ATOM 736 O SER A 48 -0.449 5.448 -12.216 1.00 0.00 O ATOM 737 CB SER A 48 0.060 2.884 -10.371 1.00 0.00 C ATOM 738 OG SER A 48 0.067 2.581 -11.756 1.00 0.00 O ATOM 0 H SER A 48 -0.727 3.993 -8.269 1.00 0.00 H new ATOM 0 HA SER A 48 1.153 4.733 -10.338 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.903 2.394 -9.884 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.847 2.488 -9.914 1.00 0.00 H new ATOM 0 HG SER A 48 0.019 1.610 -11.879 1.00 0.00 H new ATOM 744 N LYS A 49 -2.035 5.356 -10.622 1.00 0.00 N ATOM 745 CA LYS A 49 -3.040 6.040 -11.428 1.00 0.00 C ATOM 746 C LYS A 49 -2.454 7.285 -12.087 1.00 0.00 C ATOM 747 O LYS A 49 -2.837 7.649 -13.199 1.00 0.00 O ATOM 748 CB LYS A 49 -4.241 6.426 -10.562 1.00 0.00 C ATOM 749 CG LYS A 49 -4.791 5.275 -9.738 1.00 0.00 C ATOM 750 CD LYS A 49 -4.988 4.028 -10.583 1.00 0.00 C ATOM 751 CE LYS A 49 -5.867 3.008 -9.876 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.314 3.258 -10.118 1.00 0.00 N ATOM 0 H LYS A 49 -2.353 5.087 -9.691 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.369 5.357 -12.211 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.950 7.235 -9.892 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.032 6.813 -11.204 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.108 5.055 -8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.742 5.567 -9.292 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.441 4.301 -11.536 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.019 3.582 -10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.609 2.006 -10.220 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.668 3.038 -8.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.878 2.541 -9.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.566 4.204 -9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.510 3.204 -11.138 1.00 0.00 H new ATOM 766 N PHE A 50 -1.522 7.933 -11.395 1.00 0.00 N ATOM 767 CA PHE A 50 -0.883 9.136 -11.913 1.00 0.00 C ATOM 768 C PHE A 50 0.338 8.783 -12.758 1.00 0.00 C ATOM 769 O PHE A 50 0.654 9.469 -13.728 1.00 0.00 O ATOM 770 CB PHE A 50 -0.472 10.057 -10.763 1.00 0.00 C ATOM 771 CG PHE A 50 -1.507 10.160 -9.678 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.636 9.159 -8.729 1.00 0.00 C ATOM 773 CD2 PHE A 50 -2.349 11.258 -9.608 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.588 9.251 -7.731 1.00 0.00 C ATOM 775 CE2 PHE A 50 -3.302 11.356 -8.612 1.00 0.00 C ATOM 776 CZ PHE A 50 -3.421 10.351 -7.672 1.00 0.00 C ATOM 0 H PHE A 50 -1.193 7.644 -10.474 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.603 9.655 -12.545 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.460 9.692 -10.331 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.272 11.053 -11.159 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.986 8.298 -8.769 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.260 12.047 -10.340 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.680 8.463 -6.998 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.953 12.217 -8.569 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.164 10.425 -6.892 1.00 0.00 H new ATOM 786 N GLY A 51 1.020 7.707 -12.379 1.00 0.00 N ATOM 787 CA GLY A 51 2.199 7.281 -13.111 1.00 0.00 C ATOM 788 C GLY A 51 2.575 5.842 -12.817 1.00 0.00 C ATOM 789 O GLY A 51 1.994 4.915 -13.381 1.00 0.00 O ATOM 0 H GLY A 51 0.778 7.123 -11.579 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.020 7.395 -14.180 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.036 7.931 -12.856 1.00 0.00 H new ATOM 793 N GLN A 52 3.550 5.655 -11.934 1.00 0.00 N ATOM 794 CA GLN A 52 4.004 4.319 -11.569 1.00 0.00 C ATOM 795 C GLN A 52 4.513 4.290 -10.132 1.00 0.00 C ATOM 796 O GLN A 52 4.528 5.314 -9.448 1.00 0.00 O ATOM 797 CB GLN A 52 5.107 3.854 -12.522 1.00 0.00 C ATOM 798 CG GLN A 52 4.598 3.481 -13.905 1.00 0.00 C ATOM 799 CD GLN A 52 5.713 3.067 -14.845 1.00 0.00 C ATOM 800 OE1 GLN A 52 6.578 2.267 -14.487 1.00 0.00 O ATOM 801 NE2 GLN A 52 5.698 3.610 -16.057 1.00 0.00 N ATOM 0 H GLN A 52 4.041 6.412 -11.458 1.00 0.00 H new ATOM 0 HA GLN A 52 3.155 3.640 -11.648 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.850 4.646 -12.619 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.614 2.993 -12.086 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.881 2.665 -13.816 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.064 4.330 -14.332 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.962 4.269 -16.312 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.422 3.368 -16.733 1.00 0.00 H new ATOM 810 N ILE A 53 4.930 3.112 -9.680 1.00 0.00 N ATOM 811 CA ILE A 53 5.440 2.951 -8.324 1.00 0.00 C ATOM 812 C ILE A 53 6.847 2.363 -8.332 1.00 0.00 C ATOM 813 O ILE A 53 7.021 1.145 -8.361 1.00 0.00 O ATOM 814 CB ILE A 53 4.522 2.046 -7.481 1.00 0.00 C ATOM 815 CG1 ILE A 53 3.077 2.149 -7.972 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.616 2.421 -6.009 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.462 3.515 -7.760 1.00 0.00 C ATOM 0 H ILE A 53 4.925 2.255 -10.233 1.00 0.00 H new ATOM 0 HA ILE A 53 5.467 3.945 -7.877 1.00 0.00 H new ATOM 0 HB ILE A 53 4.851 1.013 -7.594 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.045 1.906 -9.034 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.472 1.403 -7.456 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.962 1.773 -5.426 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.644 2.300 -5.668 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.309 3.459 -5.878 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.437 3.514 -8.132 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.462 3.753 -6.696 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.043 4.263 -8.299 1.00 0.00 H new ATOM 829 N ARG A 54 7.847 3.237 -8.305 1.00 0.00 N ATOM 830 CA ARG A 54 9.240 2.805 -8.308 1.00 0.00 C ATOM 831 C ARG A 54 9.512 1.839 -7.159 1.00 0.00 C ATOM 832 O ARG A 54 10.275 0.883 -7.304 1.00 0.00 O ATOM 833 CB ARG A 54 10.172 4.014 -8.204 1.00 0.00 C ATOM 834 CG ARG A 54 10.522 4.631 -9.548 1.00 0.00 C ATOM 835 CD ARG A 54 9.281 5.124 -10.275 1.00 0.00 C ATOM 836 NE ARG A 54 9.484 5.192 -11.720 1.00 0.00 N ATOM 837 CZ ARG A 54 9.361 4.146 -12.529 1.00 0.00 C ATOM 838 NH1 ARG A 54 9.038 2.958 -12.038 1.00 0.00 N ATOM 839 NH2 ARG A 54 9.562 4.287 -13.833 1.00 0.00 N ATOM 0 H ARG A 54 7.719 4.249 -8.281 1.00 0.00 H new ATOM 0 HA ARG A 54 9.432 2.288 -9.248 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.702 4.772 -7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.091 3.711 -7.702 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.212 5.462 -9.400 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.038 3.895 -10.164 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.445 4.459 -10.057 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.009 6.111 -9.900 1.00 0.00 H new ATOM 0 HE ARG A 54 9.734 6.092 -12.130 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.883 2.845 -11.036 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.944 2.157 -12.662 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.811 5.199 -14.215 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.467 3.483 -14.453 1.00 0.00 H new ATOM 853 N LYS A 55 8.884 2.094 -6.017 1.00 0.00 N ATOM 854 CA LYS A 55 9.057 1.248 -4.842 1.00 0.00 C ATOM 855 C LYS A 55 7.933 1.477 -3.836 1.00 0.00 C ATOM 856 O LYS A 55 7.554 2.617 -3.562 1.00 0.00 O ATOM 857 CB LYS A 55 10.410 1.525 -4.183 1.00 0.00 C ATOM 858 CG LYS A 55 10.537 0.941 -2.786 1.00 0.00 C ATOM 859 CD LYS A 55 10.936 -0.525 -2.829 1.00 0.00 C ATOM 860 CE LYS A 55 11.707 -0.929 -1.582 1.00 0.00 C ATOM 861 NZ LYS A 55 12.310 -2.284 -1.718 1.00 0.00 N ATOM 0 H LYS A 55 8.250 2.881 -5.880 1.00 0.00 H new ATOM 0 HA LYS A 55 9.024 0.208 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.201 1.117 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.567 2.603 -4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.279 1.505 -2.221 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.589 1.046 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.043 -1.144 -2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.547 -0.711 -3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.493 -0.199 -1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.039 -0.913 -0.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.827 -2.523 -0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.558 -2.984 -1.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.967 -2.292 -2.524 1.00 0.00 H new ATOM 875 N LEU A 56 7.404 0.388 -3.289 1.00 0.00 N ATOM 876 CA LEU A 56 6.324 0.471 -2.312 1.00 0.00 C ATOM 877 C LEU A 56 6.673 -0.308 -1.047 1.00 0.00 C ATOM 878 O LEU A 56 7.217 -1.411 -1.115 1.00 0.00 O ATOM 879 CB LEU A 56 5.024 -0.066 -2.913 1.00 0.00 C ATOM 880 CG LEU A 56 3.732 0.388 -2.233 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.313 1.757 -2.745 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.624 -0.630 -2.458 1.00 0.00 C ATOM 0 H LEU A 56 7.705 -0.562 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 56 6.188 1.519 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.982 0.230 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.059 -1.155 -2.890 1.00 0.00 H new ATOM 0 HG LEU A 56 3.915 0.464 -1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.392 2.064 -2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.099 2.482 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.148 1.708 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.712 -0.290 -1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.441 -0.739 -3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.923 -1.592 -2.041 1.00 0.00 H new ATOM 894 N LEU A 57 6.355 0.271 0.105 1.00 0.00 N ATOM 895 CA LEU A 57 6.633 -0.369 1.386 1.00 0.00 C ATOM 896 C LEU A 57 5.504 -0.113 2.379 1.00 0.00 C ATOM 897 O LEU A 57 5.086 1.028 2.579 1.00 0.00 O ATOM 898 CB LEU A 57 7.956 0.142 1.958 1.00 0.00 C ATOM 899 CG LEU A 57 9.202 -0.131 1.114 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.358 0.746 1.569 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.585 -1.602 1.189 1.00 0.00 C ATOM 0 H LEU A 57 5.904 1.183 0.179 1.00 0.00 H new ATOM 0 HA LEU A 57 6.708 -1.443 1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.872 1.218 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.102 -0.307 2.941 1.00 0.00 H new ATOM 0 HG LEU A 57 8.975 0.113 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.236 0.538 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.082 1.795 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.586 0.535 2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.473 -1.778 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.793 -1.871 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.763 -2.212 0.814 1.00 0.00 H new ATOM 913 N LEU A 58 5.015 -1.181 2.999 1.00 0.00 N ATOM 914 CA LEU A 58 3.935 -1.072 3.975 1.00 0.00 C ATOM 915 C LEU A 58 4.419 -1.460 5.368 1.00 0.00 C ATOM 916 O LEU A 58 4.837 -2.595 5.598 1.00 0.00 O ATOM 917 CB LEU A 58 2.760 -1.961 3.565 1.00 0.00 C ATOM 918 CG LEU A 58 1.366 -1.420 3.884 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.301 -2.225 3.156 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.118 -1.438 5.385 1.00 0.00 C ATOM 0 H LEU A 58 5.349 -2.132 2.844 1.00 0.00 H new ATOM 0 HA LEU A 58 3.605 -0.033 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.822 -2.139 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.874 -2.928 4.055 1.00 0.00 H new ATOM 0 HG LEU A 58 1.310 -0.388 3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.684 -1.825 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.467 -2.160 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.355 -3.268 3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.121 -1.050 5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.194 -2.461 5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.861 -0.816 5.884 1.00 0.00 H new ATOM 932 N PHE A 59 4.357 -0.510 6.296 1.00 0.00 N ATOM 933 CA PHE A 59 4.788 -0.752 7.668 1.00 0.00 C ATOM 934 C PHE A 59 3.675 -1.409 8.479 1.00 0.00 C ATOM 935 O PHE A 59 2.819 -0.729 9.044 1.00 0.00 O ATOM 936 CB PHE A 59 5.211 0.560 8.331 1.00 0.00 C ATOM 937 CG PHE A 59 6.134 1.389 7.485 1.00 0.00 C ATOM 938 CD1 PHE A 59 6.894 0.802 6.485 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.243 2.755 7.689 1.00 0.00 C ATOM 940 CE1 PHE A 59 7.744 1.563 5.704 1.00 0.00 C ATOM 941 CE2 PHE A 59 7.091 3.520 6.910 1.00 0.00 C ATOM 942 CZ PHE A 59 7.843 2.923 5.918 1.00 0.00 C ATOM 0 H PHE A 59 4.012 0.434 6.123 1.00 0.00 H new ATOM 0 HA PHE A 59 5.642 -1.429 7.640 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.320 1.144 8.563 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.701 0.337 9.279 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.821 -0.262 6.314 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.659 3.227 8.465 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.330 1.094 4.927 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.165 4.584 7.077 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.508 3.519 5.310 1.00 0.00 H new ATOM 952 N ASP A 60 3.694 -2.737 8.531 1.00 0.00 N ATOM 953 CA ASP A 60 2.687 -3.487 9.273 1.00 0.00 C ATOM 954 C ASP A 60 3.040 -3.550 10.756 1.00 0.00 C ATOM 955 O ASP A 60 2.700 -4.512 11.444 1.00 0.00 O ATOM 956 CB ASP A 60 2.556 -4.902 8.707 1.00 0.00 C ATOM 957 CG ASP A 60 3.792 -5.743 8.957 1.00 0.00 C ATOM 958 OD1 ASP A 60 4.896 -5.301 8.577 1.00 0.00 O ATOM 959 OD2 ASP A 60 3.655 -6.843 9.532 1.00 0.00 O ATOM 0 H ASP A 60 4.395 -3.316 8.068 1.00 0.00 H new ATOM 0 HA ASP A 60 1.733 -2.971 9.167 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.691 -5.391 9.155 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.370 -4.845 7.635 1.00 0.00 H new ATOM 964 N ARG A 61 3.723 -2.518 11.240 1.00 0.00 N ATOM 965 CA ARG A 61 4.124 -2.457 12.641 1.00 0.00 C ATOM 966 C ARG A 61 3.502 -1.247 13.331 1.00 0.00 C ATOM 967 O ARG A 61 3.033 -1.340 14.466 1.00 0.00 O ATOM 968 CB ARG A 61 5.648 -2.396 12.755 1.00 0.00 C ATOM 969 CG ARG A 61 6.372 -3.196 11.684 1.00 0.00 C ATOM 970 CD ARG A 61 5.910 -4.644 11.663 1.00 0.00 C ATOM 971 NE ARG A 61 6.960 -5.547 11.200 1.00 0.00 N ATOM 972 CZ ARG A 61 8.035 -5.854 11.917 1.00 0.00 C ATOM 973 NH1 ARG A 61 8.200 -5.333 13.125 1.00 0.00 N ATOM 974 NH2 ARG A 61 8.947 -6.684 11.427 1.00 0.00 N ATOM 0 H ARG A 61 4.010 -1.713 10.683 1.00 0.00 H new ATOM 0 HA ARG A 61 3.766 -3.360 13.136 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.967 -1.355 12.697 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.946 -2.766 13.736 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.196 -2.743 10.708 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.446 -3.158 11.864 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.594 -4.938 12.664 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.039 -4.737 11.014 1.00 0.00 H new ATOM 0 HE ARG A 61 6.862 -5.965 10.275 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.501 -4.695 13.505 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.026 -5.570 13.674 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.823 -7.087 10.498 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.772 -6.919 11.979 1.00 0.00 H new ATOM 988 N HIS A 62 3.503 -0.112 12.640 1.00 0.00 N ATOM 989 CA HIS A 62 2.939 1.117 13.187 1.00 0.00 C ATOM 990 C HIS A 62 1.436 0.975 13.405 1.00 0.00 C ATOM 991 O HIS A 62 0.671 0.717 12.476 1.00 0.00 O ATOM 992 CB HIS A 62 3.221 2.293 12.251 1.00 0.00 C ATOM 993 CG HIS A 62 3.428 3.592 12.967 1.00 0.00 C ATOM 994 ND1 HIS A 62 4.370 4.551 12.808 1.00 0.00 N flip ATOM 995 CD2 HIS A 62 2.607 4.029 13.986 1.00 0.00 C flip ATOM 996 CE1 HIS A 62 4.103 5.540 13.723 1.00 0.00 C flip ATOM 997 NE2 HIS A 62 3.034 5.201 14.421 1.00 0.00 N flip ATOM 0 H HIS A 62 3.888 -0.017 11.700 1.00 0.00 H new ATOM 0 HA HIS A 62 3.412 1.307 14.150 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.107 2.070 11.657 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.389 2.400 11.555 1.00 0.00 H new ATOM 0 HD1 HIS A 62 5.136 4.541 12.134 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.749 3.496 14.368 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.674 6.448 13.851 1.00 0.00 H new ATOM 1005 N PRO A 63 1.001 1.147 14.662 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.413 1.042 15.032 1.00 0.00 C ATOM 1007 C PRO A 63 -1.243 2.198 14.483 1.00 0.00 C ATOM 1008 O PRO A 63 -2.440 2.299 14.755 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.384 1.084 16.562 1.00 0.00 C ATOM 1010 CG PRO A 63 0.871 1.814 16.897 1.00 0.00 C ATOM 1011 CD PRO A 63 1.857 1.457 15.820 1.00 0.00 C ATOM 0 HA PRO A 63 -0.875 0.142 14.626 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.259 1.597 16.961 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.383 0.080 16.986 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.700 2.890 16.929 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.243 1.521 17.879 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.536 2.282 15.608 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.472 0.603 16.105 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.601 3.067 13.710 1.00 0.00 N ATOM 1020 CA ASP A 64 -1.280 4.215 13.122 1.00 0.00 C ATOM 1021 C ASP A 64 -1.276 4.127 11.599 1.00 0.00 C ATOM 1022 O ASP A 64 -1.447 5.130 10.908 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.612 5.515 13.572 1.00 0.00 C ATOM 1024 CG ASP A 64 -1.077 5.960 14.945 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -2.263 5.744 15.268 1.00 0.00 O ATOM 1026 OD2 ASP A 64 -0.254 6.525 15.696 1.00 0.00 O ATOM 0 H ASP A 64 0.389 2.998 13.476 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.314 4.210 13.466 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.469 5.379 13.584 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.826 6.300 12.847 1.00 0.00 H new ATOM 1031 N GLY A 65 -1.078 2.918 11.081 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.054 2.721 9.644 1.00 0.00 C ATOM 1033 C GLY A 65 -0.112 3.680 8.943 1.00 0.00 C ATOM 1034 O GLY A 65 -0.467 4.829 8.679 1.00 0.00 O ATOM 0 H GLY A 65 -0.934 2.072 11.632 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.753 1.696 9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.061 2.849 9.246 1.00 0.00 H new ATOM 1038 N VAL A 66 1.094 3.209 8.642 1.00 0.00 N ATOM 1039 CA VAL A 66 2.091 4.033 7.969 1.00 0.00 C ATOM 1040 C VAL A 66 2.677 3.309 6.762 1.00 0.00 C ATOM 1041 O VAL A 66 3.183 2.193 6.880 1.00 0.00 O ATOM 1042 CB VAL A 66 3.234 4.424 8.924 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.318 5.185 8.176 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.698 5.247 10.086 1.00 0.00 C ATOM 0 H VAL A 66 1.404 2.261 8.854 1.00 0.00 H new ATOM 0 HA VAL A 66 1.582 4.937 7.635 1.00 0.00 H new ATOM 0 HB VAL A 66 3.676 3.513 9.327 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.117 5.453 8.867 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.721 4.557 7.381 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.894 6.091 7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.519 5.515 10.751 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.230 6.154 9.704 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.961 4.662 10.636 1.00 0.00 H new ATOM 1054 N ALA A 67 2.607 3.952 5.601 1.00 0.00 N ATOM 1055 CA ALA A 67 3.133 3.371 4.372 1.00 0.00 C ATOM 1056 C ALA A 67 4.090 4.333 3.676 1.00 0.00 C ATOM 1057 O ALA A 67 4.039 5.543 3.897 1.00 0.00 O ATOM 1058 CB ALA A 67 1.994 2.990 3.439 1.00 0.00 C ATOM 0 H ALA A 67 2.191 4.876 5.486 1.00 0.00 H new ATOM 0 HA ALA A 67 3.690 2.471 4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.401 2.557 2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.350 2.261 3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.413 3.879 3.192 1.00 0.00 H new ATOM 1064 N SER A 68 4.963 3.787 2.836 1.00 0.00 N ATOM 1065 CA SER A 68 5.935 4.596 2.111 1.00 0.00 C ATOM 1066 C SER A 68 5.887 4.294 0.616 1.00 0.00 C ATOM 1067 O SER A 68 6.286 3.216 0.175 1.00 0.00 O ATOM 1068 CB SER A 68 7.344 4.342 2.649 1.00 0.00 C ATOM 1069 OG SER A 68 8.221 5.401 2.304 1.00 0.00 O ATOM 0 H SER A 68 5.017 2.787 2.641 1.00 0.00 H new ATOM 0 HA SER A 68 5.680 5.645 2.260 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.309 4.234 3.733 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.726 3.404 2.247 1.00 0.00 H new ATOM 0 HG SER A 68 9.115 5.215 2.661 1.00 0.00 H new ATOM 1075 N VAL A 69 5.394 5.254 -0.160 1.00 0.00 N ATOM 1076 CA VAL A 69 5.294 5.093 -1.606 1.00 0.00 C ATOM 1077 C VAL A 69 6.357 5.916 -2.325 1.00 0.00 C ATOM 1078 O VAL A 69 6.291 7.145 -2.355 1.00 0.00 O ATOM 1079 CB VAL A 69 3.903 5.508 -2.121 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.644 4.912 -3.497 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.823 5.087 -1.137 1.00 0.00 C ATOM 0 H VAL A 69 5.058 6.152 0.188 1.00 0.00 H new ATOM 0 HA VAL A 69 5.452 4.036 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 69 3.877 6.594 -2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.657 5.216 -3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.401 5.268 -4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.689 3.825 -3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.847 5.388 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.846 4.004 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.001 5.566 -0.174 1.00 0.00 H new ATOM 1091 N SER A 70 7.336 5.230 -2.906 1.00 0.00 N ATOM 1092 CA SER A 70 8.416 5.897 -3.624 1.00 0.00 C ATOM 1093 C SER A 70 7.950 6.353 -5.003 1.00 0.00 C ATOM 1094 O SER A 70 7.113 5.708 -5.634 1.00 0.00 O ATOM 1095 CB SER A 70 9.619 4.962 -3.762 1.00 0.00 C ATOM 1096 OG SER A 70 9.982 4.409 -2.509 1.00 0.00 O ATOM 0 H SER A 70 7.404 4.212 -2.894 1.00 0.00 H new ATOM 0 HA SER A 70 8.712 6.776 -3.051 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.382 4.161 -4.462 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.464 5.510 -4.179 1.00 0.00 H new ATOM 0 HG SER A 70 9.402 3.645 -2.308 1.00 0.00 H new ATOM 1102 N PHE A 71 8.500 7.472 -5.466 1.00 0.00 N ATOM 1103 CA PHE A 71 8.141 8.017 -6.770 1.00 0.00 C ATOM 1104 C PHE A 71 9.389 8.356 -7.579 1.00 0.00 C ATOM 1105 O PHE A 71 10.493 8.429 -7.038 1.00 0.00 O ATOM 1106 CB PHE A 71 7.273 9.265 -6.603 1.00 0.00 C ATOM 1107 CG PHE A 71 5.875 8.966 -6.143 1.00 0.00 C ATOM 1108 CD1 PHE A 71 4.923 8.500 -7.035 1.00 0.00 C ATOM 1109 CD2 PHE A 71 5.512 9.152 -4.819 1.00 0.00 C ATOM 1110 CE1 PHE A 71 3.635 8.223 -6.616 1.00 0.00 C ATOM 1111 CE2 PHE A 71 4.226 8.877 -4.393 1.00 0.00 C ATOM 1112 CZ PHE A 71 3.286 8.413 -5.293 1.00 0.00 C ATOM 0 H PHE A 71 9.195 8.018 -4.957 1.00 0.00 H new ATOM 0 HA PHE A 71 7.574 7.259 -7.310 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.748 9.934 -5.886 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.228 9.796 -7.554 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.190 8.351 -8.071 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.242 9.516 -4.111 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.903 7.859 -7.322 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.956 9.025 -3.358 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.280 8.199 -4.963 1.00 0.00 H new ATOM 1122 N ARG A 72 9.206 8.562 -8.879 1.00 0.00 N ATOM 1123 CA ARG A 72 10.317 8.891 -9.765 1.00 0.00 C ATOM 1124 C ARG A 72 10.258 10.356 -10.189 1.00 0.00 C ATOM 1125 O ARG A 72 11.261 11.068 -10.140 1.00 0.00 O ATOM 1126 CB ARG A 72 10.297 7.990 -11.000 1.00 0.00 C ATOM 1127 CG ARG A 72 11.124 8.524 -12.158 1.00 0.00 C ATOM 1128 CD ARG A 72 12.614 8.408 -11.877 1.00 0.00 C ATOM 1129 NE ARG A 72 13.089 7.032 -12.003 1.00 0.00 N ATOM 1130 CZ ARG A 72 14.370 6.706 -12.131 1.00 0.00 C ATOM 1131 NH1 ARG A 72 15.300 7.651 -12.150 1.00 0.00 N ATOM 1132 NH2 ARG A 72 14.724 5.431 -12.239 1.00 0.00 N ATOM 0 H ARG A 72 8.299 8.507 -9.342 1.00 0.00 H new ATOM 0 HA ARG A 72 11.246 8.725 -9.219 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.668 7.003 -10.725 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.266 7.863 -11.330 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.880 7.973 -13.066 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.867 9.568 -12.340 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.164 9.046 -12.568 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.823 8.773 -10.871 1.00 0.00 H new ATOM 0 HE ARG A 72 12.399 6.281 -11.992 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.032 8.632 -12.066 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.283 7.397 -12.248 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.012 4.701 -12.224 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.708 5.182 -12.337 1.00 0.00 H new ATOM 1146 N ASP A 73 9.076 10.798 -10.606 1.00 0.00 N ATOM 1147 CA ASP A 73 8.886 12.177 -11.039 1.00 0.00 C ATOM 1148 C ASP A 73 8.418 13.051 -9.879 1.00 0.00 C ATOM 1149 O ASP A 73 7.712 12.601 -8.976 1.00 0.00 O ATOM 1150 CB ASP A 73 7.872 12.240 -12.182 1.00 0.00 C ATOM 1151 CG ASP A 73 8.424 11.678 -13.477 1.00 0.00 C ATOM 1152 OD1 ASP A 73 9.634 11.853 -13.732 1.00 0.00 O ATOM 1153 OD2 ASP A 73 7.647 11.062 -14.236 1.00 0.00 O ATOM 0 H ASP A 73 8.236 10.221 -10.653 1.00 0.00 H new ATOM 0 HA ASP A 73 9.845 12.556 -11.393 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.977 11.685 -11.901 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.569 13.275 -12.338 1.00 0.00 H new ATOM 1158 N PRO A 74 8.820 14.330 -9.902 1.00 0.00 N ATOM 1159 CA PRO A 74 8.454 15.294 -8.859 1.00 0.00 C ATOM 1160 C PRO A 74 6.973 15.656 -8.899 1.00 0.00 C ATOM 1161 O PRO A 74 6.307 15.693 -7.865 1.00 0.00 O ATOM 1162 CB PRO A 74 9.313 16.517 -9.189 1.00 0.00 C ATOM 1163 CG PRO A 74 9.583 16.407 -10.650 1.00 0.00 C ATOM 1164 CD PRO A 74 9.663 14.935 -10.947 1.00 0.00 C ATOM 0 HA PRO A 74 8.622 14.896 -7.858 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.790 17.444 -8.952 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.239 16.517 -8.614 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.790 16.880 -11.230 1.00 0.00 H new ATOM 0 HG3 PRO A 74 10.514 16.909 -10.914 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.291 14.706 -11.946 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.689 14.570 -10.897 1.00 0.00 H new ATOM 1172 N GLU A 75 6.466 15.922 -10.099 1.00 0.00 N ATOM 1173 CA GLU A 75 5.063 16.282 -10.271 1.00 0.00 C ATOM 1174 C GLU A 75 4.151 15.142 -9.829 1.00 0.00 C ATOM 1175 O GLU A 75 3.113 15.370 -9.208 1.00 0.00 O ATOM 1176 CB GLU A 75 4.781 16.638 -11.732 1.00 0.00 C ATOM 1177 CG GLU A 75 5.517 17.879 -12.210 1.00 0.00 C ATOM 1178 CD GLU A 75 5.157 18.260 -13.632 1.00 0.00 C ATOM 1179 OE1 GLU A 75 5.644 17.592 -14.568 1.00 0.00 O ATOM 1180 OE2 GLU A 75 4.386 19.227 -13.809 1.00 0.00 O ATOM 0 H GLU A 75 7.005 15.895 -10.965 1.00 0.00 H new ATOM 0 HA GLU A 75 4.858 17.151 -9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.061 15.794 -12.363 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.709 16.790 -11.860 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.287 18.712 -11.546 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.591 17.707 -12.145 1.00 0.00 H new ATOM 1187 N GLU A 76 4.546 13.915 -10.154 1.00 0.00 N ATOM 1188 CA GLU A 76 3.763 12.740 -9.791 1.00 0.00 C ATOM 1189 C GLU A 76 3.544 12.676 -8.283 1.00 0.00 C ATOM 1190 O GLU A 76 2.418 12.505 -7.815 1.00 0.00 O ATOM 1191 CB GLU A 76 4.462 11.466 -10.271 1.00 0.00 C ATOM 1192 CG GLU A 76 3.831 10.189 -9.740 1.00 0.00 C ATOM 1193 CD GLU A 76 2.754 9.646 -10.659 1.00 0.00 C ATOM 1194 OE1 GLU A 76 2.303 10.392 -11.553 1.00 0.00 O ATOM 1195 OE2 GLU A 76 2.363 8.472 -10.485 1.00 0.00 O ATOM 0 H GLU A 76 5.403 13.709 -10.668 1.00 0.00 H new ATOM 0 HA GLU A 76 2.791 12.818 -10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.448 11.442 -11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.508 11.499 -9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.605 9.433 -9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.402 10.382 -8.757 1.00 0.00 H new ATOM 1202 N ALA A 77 4.628 12.815 -7.527 1.00 0.00 N ATOM 1203 CA ALA A 77 4.555 12.775 -6.072 1.00 0.00 C ATOM 1204 C ALA A 77 3.814 13.990 -5.525 1.00 0.00 C ATOM 1205 O ALA A 77 2.717 13.867 -4.980 1.00 0.00 O ATOM 1206 CB ALA A 77 5.953 12.694 -5.475 1.00 0.00 C ATOM 0 H ALA A 77 5.567 12.956 -7.898 1.00 0.00 H new ATOM 0 HA ALA A 77 3.997 11.883 -5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.883 12.665 -4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.449 11.791 -5.831 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.529 13.568 -5.778 1.00 0.00 H new ATOM 1212 N ASP A 78 4.421 15.163 -5.674 1.00 0.00 N ATOM 1213 CA ASP A 78 3.818 16.401 -5.196 1.00 0.00 C ATOM 1214 C ASP A 78 2.323 16.430 -5.496 1.00 0.00 C ATOM 1215 O ASP A 78 1.542 17.032 -4.759 1.00 0.00 O ATOM 1216 CB ASP A 78 4.503 17.609 -5.838 1.00 0.00 C ATOM 1217 CG ASP A 78 4.307 18.880 -5.036 1.00 0.00 C ATOM 1218 OD1 ASP A 78 3.145 19.203 -4.710 1.00 0.00 O ATOM 1219 OD2 ASP A 78 5.315 19.552 -4.735 1.00 0.00 O ATOM 0 H ASP A 78 5.330 15.282 -6.122 1.00 0.00 H new ATOM 0 HA ASP A 78 3.954 16.448 -4.116 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.569 17.407 -5.938 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.110 17.754 -6.844 1.00 0.00 H new ATOM 1224 N TYR A 79 1.931 15.776 -6.584 1.00 0.00 N ATOM 1225 CA TYR A 79 0.530 15.729 -6.985 1.00 0.00 C ATOM 1226 C TYR A 79 -0.180 14.540 -6.344 1.00 0.00 C ATOM 1227 O TYR A 79 -1.366 14.613 -6.018 1.00 0.00 O ATOM 1228 CB TYR A 79 0.415 15.645 -8.508 1.00 0.00 C ATOM 1229 CG TYR A 79 -1.001 15.443 -8.998 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -2.069 16.080 -8.379 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.270 14.614 -10.080 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.364 15.898 -8.824 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.562 14.427 -10.532 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.606 15.071 -9.901 1.00 0.00 C ATOM 1235 OH TYR A 79 -4.894 14.886 -10.347 1.00 0.00 O ATOM 0 H TYR A 79 2.564 15.271 -7.204 1.00 0.00 H new ATOM 0 HA TYR A 79 0.050 16.645 -6.642 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.815 16.560 -8.945 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.035 14.823 -8.866 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.884 16.729 -7.536 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.455 14.107 -10.576 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.183 16.401 -8.331 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.754 13.780 -11.375 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.890 14.275 -11.114 1.00 0.00 H new ATOM 1245 N CYS A 80 0.553 13.447 -6.167 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.005 12.241 -5.565 1.00 0.00 C ATOM 1247 C CYS A 80 -0.238 12.437 -4.070 1.00 0.00 C ATOM 1248 O CYS A 80 -0.906 11.628 -3.425 1.00 0.00 O ATOM 1249 CB CYS A 80 0.928 11.052 -5.797 1.00 0.00 C ATOM 1250 SG CYS A 80 0.758 10.288 -7.428 1.00 0.00 S ATOM 0 H CYS A 80 1.535 13.371 -6.432 1.00 0.00 H new ATOM 0 HA CYS A 80 -0.965 12.038 -6.040 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.959 11.382 -5.668 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.736 10.299 -5.033 1.00 0.00 H new ATOM 0 HG CYS A 80 -0.500 10.077 -7.679 1.00 0.00 H new ATOM 1256 N ILE A 81 0.319 13.513 -3.526 1.00 0.00 N ATOM 1257 CA ILE A 81 0.173 13.814 -2.108 1.00 0.00 C ATOM 1258 C ILE A 81 -1.045 14.696 -1.855 1.00 0.00 C ATOM 1259 O ILE A 81 -1.610 14.691 -0.762 1.00 0.00 O ATOM 1260 CB ILE A 81 1.425 14.516 -1.549 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.368 16.017 -1.840 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.685 13.903 -2.143 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.625 16.809 -0.787 1.00 0.00 C ATOM 0 H ILE A 81 0.876 14.191 -4.046 1.00 0.00 H new ATOM 0 HA ILE A 81 0.041 12.861 -1.596 1.00 0.00 H new ATOM 0 HB ILE A 81 1.450 14.376 -0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.385 16.402 -1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.889 16.174 -2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.561 14.409 -1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.729 12.844 -1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.669 14.016 -3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.625 17.865 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.402 16.451 -0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.117 16.683 0.178 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.445 15.449 -2.875 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.598 16.335 -2.763 1.00 0.00 C ATOM 1277 C GLN A 82 -3.877 15.620 -3.186 1.00 0.00 C ATOM 1278 O GLN A 82 -4.976 16.000 -2.782 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.391 17.585 -3.620 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.779 17.296 -4.981 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.722 18.523 -5.868 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.640 18.785 -6.646 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.640 19.285 -5.757 1.00 0.00 N ATOM 0 H GLN A 82 -0.988 15.463 -3.787 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.698 16.631 -1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.351 18.082 -3.761 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.748 18.281 -3.082 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.771 16.903 -4.846 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.360 16.519 -5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.097 19.031 -5.099 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.546 20.124 -6.329 1.00 0.00 H new ATOM 1292 N THR A 83 -3.726 14.581 -4.002 1.00 0.00 N ATOM 1293 CA THR A 83 -4.869 13.814 -4.481 1.00 0.00 C ATOM 1294 C THR A 83 -5.119 12.593 -3.602 1.00 0.00 C ATOM 1295 O THR A 83 -6.236 12.078 -3.540 1.00 0.00 O ATOM 1296 CB THR A 83 -4.665 13.351 -5.936 1.00 0.00 C ATOM 1297 OG1 THR A 83 -4.862 14.451 -6.832 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.628 12.227 -6.286 1.00 0.00 C ATOM 0 H THR A 83 -2.823 14.252 -4.345 1.00 0.00 H new ATOM 0 HA THR A 83 -5.735 14.475 -4.436 1.00 0.00 H new ATOM 0 HB THR A 83 -3.645 12.979 -6.036 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.132 14.476 -7.485 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.465 11.917 -7.318 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.456 11.380 -5.621 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.654 12.577 -6.170 1.00 0.00 H new ATOM 1306 N LEU A 84 -4.073 12.135 -2.923 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.179 10.974 -2.046 1.00 0.00 C ATOM 1308 C LEU A 84 -4.444 11.402 -0.606 1.00 0.00 C ATOM 1309 O LEU A 84 -4.799 10.582 0.240 1.00 0.00 O ATOM 1310 CB LEU A 84 -2.899 10.140 -2.115 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.538 9.576 -3.489 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.147 8.961 -3.466 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.570 8.548 -3.932 1.00 0.00 C ATOM 0 H LEU A 84 -3.142 12.550 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.019 10.368 -2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.069 10.756 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.993 9.308 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.539 10.396 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.908 8.565 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.417 9.723 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.118 8.154 -2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.297 8.157 -4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.602 7.731 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.551 9.019 -3.990 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.272 12.691 -0.337 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.496 13.230 1.000 1.00 0.00 C ATOM 1327 C ASP A 85 -5.962 13.097 1.401 1.00 0.00 C ATOM 1328 O ASP A 85 -6.335 13.392 2.536 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.069 14.697 1.061 1.00 0.00 C ATOM 1330 CG ASP A 85 -4.728 15.537 -0.016 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -5.638 15.020 -0.698 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -4.335 16.711 -0.175 1.00 0.00 O ATOM 0 H ASP A 85 -3.978 13.383 -1.027 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.892 12.655 1.702 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.320 15.105 2.040 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.986 14.762 0.956 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.790 12.652 0.460 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.205 12.489 0.734 1.00 0.00 C ATOM 1339 C GLY A 86 -8.698 11.089 0.426 1.00 0.00 C ATOM 1340 O GLY A 86 -9.891 10.805 0.539 1.00 0.00 O ATOM 0 H GLY A 86 -6.505 12.402 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.397 12.716 1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.772 13.209 0.143 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.779 10.212 0.035 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.128 8.835 -0.293 1.00 0.00 C ATOM 1346 C ARG A 87 -8.790 8.144 0.896 1.00 0.00 C ATOM 1347 O ARG A 87 -8.722 8.629 2.025 1.00 0.00 O ATOM 1348 CB ARG A 87 -6.880 8.059 -0.718 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.444 8.340 -2.146 1.00 0.00 C ATOM 1350 CD ARG A 87 -7.100 7.382 -3.128 1.00 0.00 C ATOM 1351 NE ARG A 87 -8.407 7.860 -3.570 1.00 0.00 N ATOM 1352 CZ ARG A 87 -9.019 7.420 -4.664 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -8.446 6.495 -5.422 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -10.208 7.904 -5.001 1.00 0.00 N ATOM 0 H ARG A 87 -6.787 10.431 -0.062 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.837 8.853 -1.121 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.061 8.306 -0.042 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.072 6.992 -0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.700 9.366 -2.411 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.360 8.253 -2.220 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.451 7.250 -3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.211 6.404 -2.660 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.876 8.571 -3.008 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.533 6.119 -5.166 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.918 6.159 -6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.653 8.615 -4.420 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.677 7.565 -5.841 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.430 7.011 0.632 1.00 0.00 N ATOM 1369 CA TRP A 88 -10.105 6.253 1.680 1.00 0.00 C ATOM 1370 C TRP A 88 -9.643 4.800 1.685 1.00 0.00 C ATOM 1371 O TRP A 88 -9.771 4.094 0.685 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.621 6.318 1.489 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.199 7.671 1.779 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.119 8.782 0.990 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -12.943 8.053 2.941 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.769 9.833 1.592 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.284 9.411 2.789 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.357 7.380 4.093 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -14.017 10.106 3.747 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -14.084 8.071 5.044 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.408 9.423 4.866 1.00 0.00 C ATOM 0 H TRP A 88 -9.496 6.597 -0.298 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.847 6.700 2.640 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.863 6.040 0.463 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -12.094 5.582 2.139 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.619 8.828 0.034 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.854 10.775 1.209 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -13.113 6.338 4.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.268 11.148 3.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.408 7.561 5.939 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -14.977 9.936 5.627 1.00 0.00 H new ATOM 1392 N PHE A 89 -9.105 4.359 2.818 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.623 2.989 2.952 1.00 0.00 C ATOM 1394 C PHE A 89 -9.294 2.290 4.130 1.00 0.00 C ATOM 1395 O PHE A 89 -9.494 2.885 5.188 1.00 0.00 O ATOM 1396 CB PHE A 89 -7.104 2.977 3.135 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.343 3.064 1.843 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.597 4.087 0.943 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.375 2.125 1.529 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -5.899 4.170 -0.247 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.674 2.203 0.340 1.00 0.00 C ATOM 1402 CZ PHE A 89 -4.935 3.227 -0.549 1.00 0.00 C ATOM 0 H PHE A 89 -8.992 4.930 3.656 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.877 2.449 2.040 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.817 3.812 3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.816 2.064 3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.349 4.827 1.174 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.165 1.323 2.221 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.107 4.971 -0.941 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.922 1.463 0.106 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.387 3.291 -1.478 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.642 1.021 3.938 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.288 0.261 4.992 1.00 0.00 C ATOM 1414 C GLY A 90 -11.639 0.832 5.374 1.00 0.00 C ATOM 1415 O GLY A 90 -12.277 0.358 6.313 1.00 0.00 O ATOM 0 H GLY A 90 -9.488 0.506 3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.412 -0.772 4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.643 0.243 5.870 1.00 0.00 H new ATOM 1419 N GLY A 91 -12.075 1.855 4.645 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.355 2.476 4.930 1.00 0.00 C ATOM 1421 C GLY A 91 -13.209 3.882 5.477 1.00 0.00 C ATOM 1422 O GLY A 91 -14.174 4.646 5.511 1.00 0.00 O ATOM 0 H GLY A 91 -11.565 2.264 3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.952 2.504 4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.900 1.864 5.649 1.00 0.00 H new ATOM 1426 N ARG A 92 -11.999 4.224 5.908 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.731 5.547 6.459 1.00 0.00 C ATOM 1428 C ARG A 92 -10.851 6.361 5.515 1.00 0.00 C ATOM 1429 O ARG A 92 -10.250 5.817 4.589 1.00 0.00 O ATOM 1430 CB ARG A 92 -11.055 5.426 7.826 1.00 0.00 C ATOM 1431 CG ARG A 92 -11.667 4.356 8.716 1.00 0.00 C ATOM 1432 CD ARG A 92 -10.715 3.944 9.827 1.00 0.00 C ATOM 1433 NE ARG A 92 -11.428 3.514 11.027 1.00 0.00 N ATOM 1434 CZ ARG A 92 -12.088 4.344 11.827 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -12.126 5.641 11.555 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -12.712 3.877 12.901 1.00 0.00 N ATOM 0 H ARG A 92 -11.190 3.604 5.886 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.683 6.064 6.577 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.998 5.205 7.681 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.112 6.387 8.336 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.595 4.729 9.150 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.925 3.484 8.114 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.076 3.134 9.475 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.062 4.781 10.074 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.419 2.522 11.264 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.648 6.003 10.730 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.633 6.277 12.171 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.685 2.880 13.113 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.218 4.515 13.514 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.781 7.666 5.757 1.00 0.00 N ATOM 1451 CA GLN A 93 -9.976 8.554 4.927 1.00 0.00 C ATOM 1452 C GLN A 93 -8.511 8.514 5.349 1.00 0.00 C ATOM 1453 O GLN A 93 -8.191 8.148 6.481 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.505 9.987 5.014 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.276 10.798 3.749 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.339 12.293 3.994 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.371 12.745 5.139 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.357 13.069 2.918 1.00 0.00 N ATOM 0 H GLN A 93 -11.272 8.131 6.521 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.048 8.210 3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.573 9.959 5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.025 10.493 5.852 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.303 10.543 3.330 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.025 10.524 3.006 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.329 12.652 1.988 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.399 14.083 3.021 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.626 8.892 4.434 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.195 8.900 4.712 1.00 0.00 C ATOM 1469 C ILE A 94 -5.547 10.191 4.224 1.00 0.00 C ATOM 1470 O ILE A 94 -6.025 10.822 3.281 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.487 7.702 4.052 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.511 7.843 2.529 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.143 6.398 4.479 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.769 6.740 1.808 1.00 0.00 C ATOM 0 H ILE A 94 -7.874 9.197 3.493 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.083 8.827 5.794 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.448 7.688 4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.547 7.855 2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.074 8.803 2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.631 5.561 4.004 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.078 6.296 5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.190 6.402 4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.828 6.905 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.724 6.741 2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.219 5.778 2.053 1.00 0.00 H new ATOM 1486 N THR A 95 -4.452 10.579 4.872 1.00 0.00 N ATOM 1487 CA THR A 95 -3.737 11.794 4.504 1.00 0.00 C ATOM 1488 C THR A 95 -2.412 11.468 3.824 1.00 0.00 C ATOM 1489 O THR A 95 -1.819 10.419 4.070 1.00 0.00 O ATOM 1490 CB THR A 95 -3.465 12.680 5.735 1.00 0.00 C ATOM 1491 OG1 THR A 95 -2.883 13.923 5.325 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.535 11.977 6.712 1.00 0.00 C ATOM 0 H THR A 95 -4.042 10.069 5.654 1.00 0.00 H new ATOM 0 HA THR A 95 -4.375 12.338 3.808 1.00 0.00 H new ATOM 0 HB THR A 95 -4.415 12.871 6.235 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.715 14.481 6.113 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.357 12.621 7.573 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.993 11.045 7.044 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.587 11.760 6.220 1.00 0.00 H new ATOM 1500 N ALA A 96 -1.953 12.375 2.967 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.697 12.185 2.254 1.00 0.00 C ATOM 1502 C ALA A 96 0.238 13.371 2.463 1.00 0.00 C ATOM 1503 O ALA A 96 -0.211 14.495 2.682 1.00 0.00 O ATOM 1504 CB ALA A 96 -0.960 11.972 0.770 1.00 0.00 C ATOM 0 H ALA A 96 -2.433 13.249 2.750 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.210 11.297 2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.013 11.831 0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.584 11.088 0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.472 12.844 0.362 1.00 0.00 H new ATOM 1510 N GLN A 97 1.540 13.111 2.393 1.00 0.00 N ATOM 1511 CA GLN A 97 2.538 14.159 2.577 1.00 0.00 C ATOM 1512 C GLN A 97 3.911 13.692 2.104 1.00 0.00 C ATOM 1513 O GLN A 97 4.181 12.493 2.041 1.00 0.00 O ATOM 1514 CB GLN A 97 2.607 14.575 4.047 1.00 0.00 C ATOM 1515 CG GLN A 97 2.704 13.402 5.008 1.00 0.00 C ATOM 1516 CD GLN A 97 1.346 12.920 5.480 1.00 0.00 C ATOM 1517 OE1 GLN A 97 0.702 12.082 4.675 1.00 0.00 O flip ATOM 1518 NE2 GLN A 97 0.880 13.297 6.555 1.00 0.00 N flip ATOM 0 H GLN A 97 1.928 12.185 2.211 1.00 0.00 H new ATOM 0 HA GLN A 97 2.240 15.019 1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.470 15.225 4.192 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.722 15.162 4.292 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.228 12.580 4.520 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.302 13.693 5.871 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.409 13.942 7.142 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.035 12.965 6.859 1.00 0.00 H new ATOM 1527 N ALA A 98 4.773 14.646 1.771 1.00 0.00 N ATOM 1528 CA ALA A 98 6.118 14.333 1.305 1.00 0.00 C ATOM 1529 C ALA A 98 7.037 13.989 2.472 1.00 0.00 C ATOM 1530 O ALA A 98 7.026 14.663 3.502 1.00 0.00 O ATOM 1531 CB ALA A 98 6.686 15.498 0.509 1.00 0.00 C ATOM 0 H ALA A 98 4.564 15.643 1.815 1.00 0.00 H new ATOM 0 HA ALA A 98 6.056 13.460 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.691 15.250 0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.048 15.695 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.726 16.385 1.141 1.00 0.00 H new ATOM 1537 N TRP A 99 7.830 12.937 2.305 1.00 0.00 N ATOM 1538 CA TRP A 99 8.755 12.504 3.346 1.00 0.00 C ATOM 1539 C TRP A 99 10.044 13.318 3.302 1.00 0.00 C ATOM 1540 O TRP A 99 10.488 13.738 2.233 1.00 0.00 O ATOM 1541 CB TRP A 99 9.072 11.016 3.188 1.00 0.00 C ATOM 1542 CG TRP A 99 9.829 10.444 4.349 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.659 10.749 5.669 1.00 0.00 C ATOM 1544 CD2 TRP A 99 10.876 9.469 4.292 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.537 10.023 6.437 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.294 9.230 5.616 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.499 8.774 3.253 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.307 8.326 5.924 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.505 7.877 3.560 1.00 0.00 C ATOM 1550 CH2 TRP A 99 12.900 7.659 4.887 1.00 0.00 C ATOM 0 H TRP A 99 7.851 12.368 1.459 1.00 0.00 H new ATOM 0 HA TRP A 99 8.277 12.666 4.312 1.00 0.00 H new ATOM 0 HB2 TRP A 99 8.140 10.464 3.064 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.653 10.870 2.277 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.940 11.457 6.053 1.00 0.00 H new ATOM 0 HE1 TRP A 99 10.613 10.067 7.453 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.200 8.935 2.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 12.614 8.157 6.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 12.995 7.335 2.764 1.00 0.00 H new ATOM 0 HH2 TRP A 99 13.688 6.950 5.095 1.00 0.00 H new ATOM 1561 N ASP A 100 10.640 13.537 4.469 1.00 0.00 N ATOM 1562 CA ASP A 100 11.880 14.300 4.563 1.00 0.00 C ATOM 1563 C ASP A 100 13.008 13.437 5.120 1.00 0.00 C ATOM 1564 O ASP A 100 13.866 13.921 5.857 1.00 0.00 O ATOM 1565 CB ASP A 100 11.679 15.532 5.446 1.00 0.00 C ATOM 1566 CG ASP A 100 10.403 16.281 5.114 1.00 0.00 C ATOM 1567 OD1 ASP A 100 10.129 16.481 3.913 1.00 0.00 O ATOM 1568 OD2 ASP A 100 9.680 16.668 6.056 1.00 0.00 O ATOM 0 H ASP A 100 10.285 13.197 5.363 1.00 0.00 H new ATOM 0 HA ASP A 100 12.157 14.623 3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.655 15.226 6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.531 16.202 5.329 1.00 0.00 H new ATOM 1573 N GLY A 101 12.998 12.156 4.763 1.00 0.00 N ATOM 1574 CA GLY A 101 14.025 11.247 5.238 1.00 0.00 C ATOM 1575 C GLY A 101 14.452 11.546 6.661 1.00 0.00 C ATOM 1576 O GLY A 101 15.633 11.775 6.928 1.00 0.00 O ATOM 0 H GLY A 101 12.298 11.732 4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.654 10.224 5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.893 11.309 4.581 1.00 0.00 H new ATOM 1580 N THR A 102 13.490 11.548 7.578 1.00 0.00 N ATOM 1581 CA THR A 102 13.772 11.825 8.981 1.00 0.00 C ATOM 1582 C THR A 102 13.140 10.774 9.887 1.00 0.00 C ATOM 1583 O THR A 102 13.771 10.286 10.825 1.00 0.00 O ATOM 1584 CB THR A 102 13.260 13.218 9.393 1.00 0.00 C ATOM 1585 OG1 THR A 102 13.382 13.385 10.810 1.00 0.00 O ATOM 1586 CG2 THR A 102 11.808 13.404 8.979 1.00 0.00 C ATOM 0 H THR A 102 12.508 11.361 7.374 1.00 0.00 H new ATOM 0 HA THR A 102 14.855 11.796 9.097 1.00 0.00 H new ATOM 0 HB THR A 102 13.866 13.969 8.885 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.056 14.274 11.064 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.468 14.395 9.280 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.723 13.304 7.897 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.192 12.646 9.463 1.00 0.00 H new ATOM 1594 N THR A 103 11.888 10.430 9.601 1.00 0.00 N ATOM 1595 CA THR A 103 11.169 9.437 10.390 1.00 0.00 C ATOM 1596 C THR A 103 11.926 8.115 10.431 1.00 0.00 C ATOM 1597 O THR A 103 12.669 7.784 9.507 1.00 0.00 O ATOM 1598 CB THR A 103 9.756 9.190 9.830 1.00 0.00 C ATOM 1599 OG1 THR A 103 8.891 8.723 10.871 1.00 0.00 O ATOM 1600 CG2 THR A 103 9.792 8.173 8.699 1.00 0.00 C ATOM 0 H THR A 103 11.351 10.824 8.829 1.00 0.00 H new ATOM 0 HA THR A 103 11.086 9.836 11.401 1.00 0.00 H new ATOM 0 HB THR A 103 9.375 10.133 9.437 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.288 8.038 10.513 1.00 0.00 H new ATOM 0 HG21 THR A 103 8.782 8.015 8.320 1.00 0.00 H new ATOM 0 HG22 THR A 103 10.428 8.545 7.895 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.192 7.230 9.071 1.00 0.00 H new ATOM 1608 N ASP A 104 11.732 7.361 11.508 1.00 0.00 N ATOM 1609 CA ASP A 104 12.395 6.072 11.669 1.00 0.00 C ATOM 1610 C ASP A 104 11.380 4.934 11.659 1.00 0.00 C ATOM 1611 O ASP A 104 11.395 4.068 12.534 1.00 0.00 O ATOM 1612 CB ASP A 104 13.198 6.046 12.971 1.00 0.00 C ATOM 1613 CG ASP A 104 14.440 6.913 12.903 1.00 0.00 C ATOM 1614 OD1 ASP A 104 14.331 8.128 13.168 1.00 0.00 O ATOM 1615 OD2 ASP A 104 15.521 6.375 12.585 1.00 0.00 O ATOM 0 H ASP A 104 11.121 7.620 12.282 1.00 0.00 H new ATOM 0 HA ASP A 104 13.076 5.934 10.829 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.566 6.386 13.791 1.00 0.00 H new ATOM 0 HB3 ASP A 104 13.487 5.019 13.196 1.00 0.00 H new ATOM 1620 N TYR A 105 10.499 4.942 10.665 1.00 0.00 N ATOM 1621 CA TYR A 105 9.474 3.912 10.544 1.00 0.00 C ATOM 1622 C TYR A 105 10.095 2.565 10.189 1.00 0.00 C ATOM 1623 O TYR A 105 10.192 1.673 11.031 1.00 0.00 O ATOM 1624 CB TYR A 105 8.446 4.308 9.483 1.00 0.00 C ATOM 1625 CG TYR A 105 7.623 5.519 9.859 1.00 0.00 C ATOM 1626 CD1 TYR A 105 7.025 5.616 11.109 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.443 6.567 8.964 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.271 6.720 11.457 1.00 0.00 C ATOM 1629 CE2 TYR A 105 6.693 7.676 9.304 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.109 7.748 10.552 1.00 0.00 C ATOM 1631 OH TYR A 105 5.359 8.850 10.894 1.00 0.00 O ATOM 0 H TYR A 105 10.474 5.650 9.931 1.00 0.00 H new ATOM 0 HA TYR A 105 8.974 3.818 11.508 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.963 4.508 8.545 1.00 0.00 H new ATOM 0 HB3 TYR A 105 7.777 3.466 9.305 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.152 4.814 11.821 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.897 6.513 7.986 1.00 0.00 H new ATOM 0 HE1 TYR A 105 5.811 6.778 12.432 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.564 8.482 8.597 1.00 0.00 H new ATOM 0 HH TYR A 105 5.534 9.575 10.258 1.00 0.00 H new