USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 569 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 68 ASN : amide:sc= 0.306 X(o=0.48,f=0.13) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0.174 USER MOD Set 2.1: A 35 LYS NZ :NH3+ 144:sc= 1.16 (180deg=-0.971) USER MOD Set 2.2: A 38 THR OG1 : rot -170:sc= -1.23! USER MOD Set 3.1: A 25 GLN : amide:sc= -0.35 X(o=-1.2,f=-1.1) USER MOD Set 3.2: A 88 GLN : amide:sc= -0.834! X(o=-1.2!,f=-1.1) USER MOD Single : A 17 HIS : no HE2:sc= -1.93! C(o=-1.9!,f=-2.7!) USER MOD Single : A 19 ASN : amide:sc= -0.67 K(o=-0.67,f=-2.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc=-0.00889 USER MOD Single : A 31 GLN : amide:sc= -0.0291 X(o=-0.029,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 41 SER OG : rot 180:sc=-0.00376 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0244 (180deg=-0.269) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.231 USER MOD Single : A 48 CYS SG : rot 58:sc= 1.03 USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-2.2,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -136:sc= -0.564 (180deg=-1.67) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.0157 F(o=-1.2,f=-0.016) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 75 GLN : amide:sc= 0.966 K(o=0.97,f=-0.066) USER MOD Single : A 78 MET CE :methyl -115:sc= -2.15! (180deg=-2.98!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -6.465 11.430 9.517 1.00 0.00 N ATOM 243 CA HIS A 17 -5.995 10.430 8.602 1.00 0.00 C ATOM 244 C HIS A 17 -7.150 9.522 8.225 1.00 0.00 C ATOM 245 O HIS A 17 -8.203 9.552 8.863 1.00 0.00 O ATOM 246 CB HIS A 17 -4.857 9.611 9.246 1.00 0.00 C ATOM 247 CG HIS A 17 -5.282 8.706 10.374 1.00 0.00 C ATOM 248 ND1 HIS A 17 -5.542 9.142 11.652 1.00 0.00 N ATOM 249 CD2 HIS A 17 -5.481 7.379 10.391 1.00 0.00 C ATOM 250 CE1 HIS A 17 -5.882 8.112 12.402 1.00 0.00 C ATOM 251 NE2 HIS A 17 -5.858 7.030 11.662 1.00 0.00 N ATOM 0 HA HIS A 17 -5.604 10.911 7.705 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.383 9.005 8.473 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.100 10.301 9.619 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -5.481 10.109 11.970 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.365 6.707 9.554 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.138 8.153 13.451 1.00 0.00 H new ATOM 260 N ILE A 18 -6.964 8.710 7.211 1.00 0.00 N ATOM 261 CA ILE A 18 -8.016 7.810 6.772 1.00 0.00 C ATOM 262 C ILE A 18 -7.574 6.359 6.834 1.00 0.00 C ATOM 263 O ILE A 18 -6.397 6.053 7.040 1.00 0.00 O ATOM 264 CB ILE A 18 -8.521 8.132 5.350 1.00 0.00 C ATOM 265 CG1 ILE A 18 -7.365 8.126 4.336 1.00 0.00 C ATOM 266 CG2 ILE A 18 -9.242 9.471 5.339 1.00 0.00 C ATOM 267 CD1 ILE A 18 -7.813 8.242 2.895 1.00 0.00 C ATOM 0 H ILE A 18 -6.099 8.650 6.673 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.842 7.963 7.466 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.225 7.355 5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.690 8.951 4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.794 7.205 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.593 9.687 4.330 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.093 9.432 6.019 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.557 10.256 5.660 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.941 8.231 2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.463 7.403 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.358 9.176 2.757 1.00 0.00 H new ATOM 279 N ASN A 19 -8.523 5.466 6.674 1.00 0.00 N ATOM 280 CA ASN A 19 -8.259 4.040 6.720 1.00 0.00 C ATOM 281 C ASN A 19 -8.183 3.490 5.317 1.00 0.00 C ATOM 282 O ASN A 19 -8.923 3.912 4.445 1.00 0.00 O ATOM 283 CB ASN A 19 -9.371 3.321 7.492 1.00 0.00 C ATOM 284 CG ASN A 19 -9.588 3.901 8.870 1.00 0.00 C ATOM 285 OD1 ASN A 19 -8.982 3.471 9.841 1.00 0.00 O ATOM 286 ND2 ASN A 19 -10.453 4.897 8.961 1.00 0.00 N ATOM 0 H ASN A 19 -9.501 5.704 6.508 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.309 3.875 7.228 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.300 3.382 6.925 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.121 2.264 7.582 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.634 5.334 9.865 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.939 5.228 8.128 1.00 0.00 H new ATOM 293 N LEU A 20 -7.283 2.570 5.089 1.00 0.00 N ATOM 294 CA LEU A 20 -7.148 1.941 3.788 1.00 0.00 C ATOM 295 C LEU A 20 -7.035 0.440 3.936 1.00 0.00 C ATOM 296 O LEU A 20 -6.763 -0.074 5.026 1.00 0.00 O ATOM 297 CB LEU A 20 -5.931 2.484 3.019 1.00 0.00 C ATOM 298 CG LEU A 20 -6.208 3.606 2.008 1.00 0.00 C ATOM 299 CD1 LEU A 20 -7.320 3.208 1.049 1.00 0.00 C ATOM 300 CD2 LEU A 20 -6.541 4.909 2.704 1.00 0.00 C ATOM 0 H LEU A 20 -6.624 2.233 5.790 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.044 2.180 3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.204 2.849 3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.464 1.654 2.489 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.297 3.762 1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.498 4.018 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.027 2.310 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.232 3.010 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.731 5.681 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.429 4.775 3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.703 5.210 3.333 1.00 0.00 H new ATOM 312 N LYS A 21 -7.258 -0.267 2.854 1.00 0.00 N ATOM 313 CA LYS A 21 -7.169 -1.708 2.845 1.00 0.00 C ATOM 314 C LYS A 21 -6.421 -2.177 1.622 1.00 0.00 C ATOM 315 O LYS A 21 -6.463 -1.544 0.576 1.00 0.00 O ATOM 316 CB LYS A 21 -8.560 -2.322 2.843 1.00 0.00 C ATOM 317 CG LYS A 21 -9.357 -2.033 4.088 1.00 0.00 C ATOM 318 CD LYS A 21 -10.820 -2.424 3.928 1.00 0.00 C ATOM 319 CE LYS A 21 -10.983 -3.919 3.717 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.404 -4.307 3.565 1.00 0.00 N ATOM 0 H LYS A 21 -7.507 0.141 1.953 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.635 -2.023 3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.109 -1.951 1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.470 -3.402 2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.926 -2.576 4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.289 -0.971 4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.377 -2.119 4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.249 -1.888 3.081 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.428 -4.222 2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.550 -4.454 4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.470 -5.335 3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.930 -4.041 4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.812 -3.817 2.743 1.00 0.00 H new ATOM 334 N VAL A 22 -5.733 -3.279 1.749 1.00 0.00 N ATOM 335 CA VAL A 22 -5.020 -3.859 0.626 1.00 0.00 C ATOM 336 C VAL A 22 -5.403 -5.312 0.455 1.00 0.00 C ATOM 337 O VAL A 22 -5.155 -6.147 1.335 1.00 0.00 O ATOM 338 CB VAL A 22 -3.483 -3.748 0.761 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.809 -4.502 -0.362 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.040 -2.299 0.738 1.00 0.00 C ATOM 0 H VAL A 22 -5.646 -3.801 2.621 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.313 -3.284 -0.253 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.194 -4.184 1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.727 -4.418 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.097 -5.552 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.116 -4.080 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.955 -2.249 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.342 -1.841 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.503 -1.764 1.567 1.00 0.00 H new ATOM 350 N ALA A 23 -6.026 -5.612 -0.661 1.00 0.00 N ATOM 351 CA ALA A 23 -6.440 -6.954 -0.969 1.00 0.00 C ATOM 352 C ALA A 23 -5.347 -7.673 -1.723 1.00 0.00 C ATOM 353 O ALA A 23 -4.954 -7.272 -2.818 1.00 0.00 O ATOM 354 CB ALA A 23 -7.729 -6.947 -1.774 1.00 0.00 C ATOM 0 H ALA A 23 -6.259 -4.928 -1.381 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.628 -7.483 -0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.025 -7.972 -1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.515 -6.460 -1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.573 -6.404 -2.706 1.00 0.00 H new ATOM 360 N GLY A 24 -4.853 -8.728 -1.141 1.00 0.00 N ATOM 361 CA GLY A 24 -3.810 -9.479 -1.757 1.00 0.00 C ATOM 362 C GLY A 24 -4.370 -10.502 -2.707 1.00 0.00 C ATOM 363 O GLY A 24 -5.516 -10.928 -2.562 1.00 0.00 O ATOM 0 H GLY A 24 -5.161 -9.085 -0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.141 -8.806 -2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.214 -9.976 -0.991 1.00 0.00 H new ATOM 367 N GLN A 25 -3.567 -10.928 -3.665 1.00 0.00 N ATOM 368 CA GLN A 25 -4.001 -11.918 -4.650 1.00 0.00 C ATOM 369 C GLN A 25 -4.325 -13.257 -3.980 1.00 0.00 C ATOM 370 O GLN A 25 -4.979 -14.122 -4.561 1.00 0.00 O ATOM 371 CB GLN A 25 -2.939 -12.084 -5.755 1.00 0.00 C ATOM 372 CG GLN A 25 -1.557 -12.484 -5.255 1.00 0.00 C ATOM 373 CD GLN A 25 -1.447 -13.963 -4.933 1.00 0.00 C ATOM 374 OE1 GLN A 25 -2.078 -14.800 -5.576 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.668 -14.287 -3.929 1.00 0.00 N ATOM 0 H GLN A 25 -2.607 -10.606 -3.787 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.918 -11.557 -5.117 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.286 -12.836 -6.463 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.855 -11.145 -6.303 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.815 -12.226 -6.011 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.318 -11.905 -4.363 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.162 -13.561 -3.422 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.568 -15.265 -3.656 1.00 0.00 H new ATOM 384 N ASP A 26 -3.872 -13.409 -2.737 1.00 0.00 N ATOM 385 CA ASP A 26 -4.106 -14.622 -1.960 1.00 0.00 C ATOM 386 C ASP A 26 -5.566 -14.701 -1.503 1.00 0.00 C ATOM 387 O ASP A 26 -6.060 -15.766 -1.140 1.00 0.00 O ATOM 388 CB ASP A 26 -3.164 -14.659 -0.748 1.00 0.00 C ATOM 389 CG ASP A 26 -3.336 -15.907 0.099 1.00 0.00 C ATOM 390 OD1 ASP A 26 -3.009 -17.012 -0.387 1.00 0.00 O ATOM 391 OD2 ASP A 26 -3.801 -15.791 1.249 1.00 0.00 O ATOM 0 H ASP A 26 -3.334 -12.697 -2.243 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.901 -15.485 -2.594 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.132 -14.601 -1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.342 -13.779 -0.129 1.00 0.00 H new ATOM 396 N GLY A 27 -6.263 -13.573 -1.543 1.00 0.00 N ATOM 397 CA GLY A 27 -7.660 -13.548 -1.132 1.00 0.00 C ATOM 398 C GLY A 27 -7.851 -12.947 0.246 1.00 0.00 C ATOM 399 O GLY A 27 -8.935 -13.010 0.822 1.00 0.00 O ATOM 0 H GLY A 27 -5.890 -12.675 -1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.238 -12.976 -1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.055 -14.564 -1.139 1.00 0.00 H new ATOM 403 N SER A 28 -6.805 -12.350 0.773 1.00 0.00 N ATOM 404 CA SER A 28 -6.859 -11.748 2.082 1.00 0.00 C ATOM 405 C SER A 28 -6.737 -10.256 1.948 1.00 0.00 C ATOM 406 O SER A 28 -6.278 -9.750 0.924 1.00 0.00 O ATOM 407 CB SER A 28 -5.741 -12.288 2.975 1.00 0.00 C ATOM 408 OG SER A 28 -5.863 -11.808 4.308 1.00 0.00 O ATOM 0 H SER A 28 -5.900 -12.270 0.309 1.00 0.00 H new ATOM 0 HA SER A 28 -7.813 -11.997 2.546 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.768 -13.378 2.975 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.774 -11.993 2.568 1.00 0.00 H new ATOM 0 HG SER A 28 -5.135 -12.172 4.855 1.00 0.00 H new ATOM 414 N VAL A 29 -7.127 -9.545 2.964 1.00 0.00 N ATOM 415 CA VAL A 29 -7.067 -8.116 2.925 1.00 0.00 C ATOM 416 C VAL A 29 -6.561 -7.563 4.247 1.00 0.00 C ATOM 417 O VAL A 29 -6.932 -8.037 5.331 1.00 0.00 O ATOM 418 CB VAL A 29 -8.445 -7.494 2.570 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.451 -7.707 3.688 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.309 -6.017 2.242 1.00 0.00 C ATOM 0 H VAL A 29 -7.492 -9.934 3.833 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.365 -7.840 2.138 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.818 -8.006 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.405 -7.260 3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.586 -8.775 3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.084 -7.239 4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.289 -5.607 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.900 -5.489 3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.641 -5.894 1.390 1.00 0.00 H new ATOM 430 N VAL A 30 -5.687 -6.599 4.164 1.00 0.00 N ATOM 431 CA VAL A 30 -5.156 -5.953 5.339 1.00 0.00 C ATOM 432 C VAL A 30 -5.823 -4.605 5.536 1.00 0.00 C ATOM 433 O VAL A 30 -5.999 -3.849 4.584 1.00 0.00 O ATOM 434 CB VAL A 30 -3.627 -5.762 5.227 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.088 -4.974 6.413 1.00 0.00 C ATOM 436 CG2 VAL A 30 -2.939 -7.107 5.129 1.00 0.00 C ATOM 0 H VAL A 30 -5.321 -6.237 3.283 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.362 -6.593 6.197 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.418 -5.193 4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.010 -4.853 6.310 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.562 -3.993 6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.306 -5.511 7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.862 -6.960 5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.161 -7.695 6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.298 -7.636 4.246 1.00 0.00 H new ATOM 446 N GLN A 31 -6.215 -4.309 6.764 1.00 0.00 N ATOM 447 CA GLN A 31 -6.841 -3.047 7.086 1.00 0.00 C ATOM 448 C GLN A 31 -5.883 -2.216 7.912 1.00 0.00 C ATOM 449 O GLN A 31 -5.375 -2.669 8.939 1.00 0.00 O ATOM 450 CB GLN A 31 -8.117 -3.285 7.857 1.00 0.00 C ATOM 451 CG GLN A 31 -8.948 -4.414 7.291 1.00 0.00 C ATOM 452 CD GLN A 31 -10.295 -4.516 7.938 1.00 0.00 C ATOM 453 OE1 GLN A 31 -10.471 -5.219 8.929 1.00 0.00 O ATOM 454 NE2 GLN A 31 -11.250 -3.813 7.394 1.00 0.00 N ATOM 0 H GLN A 31 -6.107 -4.937 7.560 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.085 -2.515 6.166 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.871 -3.507 8.895 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.710 -2.370 7.859 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.074 -4.266 6.219 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.414 -5.355 7.422 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.058 -3.243 6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.189 -3.834 7.792 1.00 0.00 H new ATOM 463 N PHE A 32 -5.638 -1.016 7.482 1.00 0.00 N ATOM 464 CA PHE A 32 -4.656 -0.163 8.122 1.00 0.00 C ATOM 465 C PHE A 32 -5.035 1.294 8.028 1.00 0.00 C ATOM 466 O PHE A 32 -5.943 1.673 7.293 1.00 0.00 O ATOM 467 CB PHE A 32 -3.275 -0.383 7.507 1.00 0.00 C ATOM 468 CG PHE A 32 -3.261 -0.245 6.013 1.00 0.00 C ATOM 469 CD1 PHE A 32 -3.784 -1.247 5.213 1.00 0.00 C ATOM 470 CD2 PHE A 32 -2.750 0.886 5.409 1.00 0.00 C ATOM 471 CE1 PHE A 32 -3.798 -1.125 3.852 1.00 0.00 C ATOM 472 CE2 PHE A 32 -2.763 1.015 4.047 1.00 0.00 C ATOM 473 CZ PHE A 32 -3.289 0.008 3.263 1.00 0.00 C ATOM 0 H PHE A 32 -6.106 -0.592 6.681 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.627 -0.435 9.177 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.575 0.333 7.938 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.919 -1.378 7.776 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.187 -2.138 5.671 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.336 1.677 6.017 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.208 -1.916 3.241 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.362 1.905 3.585 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.301 0.110 2.188 1.00 0.00 H new ATOM 483 N LYS A 33 -4.342 2.110 8.778 1.00 0.00 N ATOM 484 CA LYS A 33 -4.609 3.524 8.812 1.00 0.00 C ATOM 485 C LYS A 33 -3.418 4.300 8.265 1.00 0.00 C ATOM 486 O LYS A 33 -2.269 4.013 8.600 1.00 0.00 O ATOM 487 CB LYS A 33 -4.923 3.940 10.243 1.00 0.00 C ATOM 488 CG LYS A 33 -5.905 2.999 10.919 1.00 0.00 C ATOM 489 CD LYS A 33 -6.295 3.467 12.312 1.00 0.00 C ATOM 490 CE LYS A 33 -5.087 3.543 13.230 1.00 0.00 C ATOM 491 NZ LYS A 33 -5.484 3.699 14.651 1.00 0.00 N ATOM 0 H LYS A 33 -3.576 1.813 9.383 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.470 3.750 8.182 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.999 3.972 10.820 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.333 4.950 10.243 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.801 2.911 10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.464 2.004 10.984 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.768 4.447 12.249 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.032 2.784 12.734 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.487 2.640 13.117 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.458 4.382 12.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.632 3.747 15.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.035 4.574 14.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.063 2.885 14.941 1.00 0.00 H new ATOM 505 N ILE A 34 -3.685 5.272 7.409 1.00 0.00 N ATOM 506 CA ILE A 34 -2.632 6.071 6.805 1.00 0.00 C ATOM 507 C ILE A 34 -3.050 7.543 6.751 1.00 0.00 C ATOM 508 O ILE A 34 -4.239 7.863 6.664 1.00 0.00 O ATOM 509 CB ILE A 34 -2.277 5.552 5.378 1.00 0.00 C ATOM 510 CG1 ILE A 34 -1.103 6.341 4.785 1.00 0.00 C ATOM 511 CG2 ILE A 34 -3.492 5.624 4.462 1.00 0.00 C ATOM 512 CD1 ILE A 34 -0.590 5.790 3.472 1.00 0.00 C ATOM 0 H ILE A 34 -4.628 5.528 7.115 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.740 5.980 7.425 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.974 4.508 5.463 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.412 7.376 4.637 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.286 6.353 5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.223 5.257 3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.293 5.009 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.830 6.657 4.387 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.239 6.403 3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.248 4.765 3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.392 5.804 2.734 1.00 0.00 H new ATOM 524 N LYS A 35 -2.089 8.444 6.826 1.00 0.00 N ATOM 525 CA LYS A 35 -2.390 9.863 6.821 1.00 0.00 C ATOM 526 C LYS A 35 -2.461 10.400 5.414 1.00 0.00 C ATOM 527 O LYS A 35 -1.861 9.852 4.496 1.00 0.00 O ATOM 528 CB LYS A 35 -1.368 10.638 7.645 1.00 0.00 C ATOM 529 CG LYS A 35 -1.116 10.009 9.000 1.00 0.00 C ATOM 530 CD LYS A 35 -0.537 10.998 10.018 1.00 0.00 C ATOM 531 CE LYS A 35 0.978 11.180 9.869 1.00 0.00 C ATOM 532 NZ LYS A 35 1.350 11.986 8.679 1.00 0.00 N ATOM 0 H LYS A 35 -1.096 8.220 6.891 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.370 9.997 7.280 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.429 10.694 7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.718 11.661 7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.051 9.603 9.386 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.429 9.171 8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.028 11.964 9.900 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.760 10.648 11.026 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.371 11.662 10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.451 10.201 9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.177 12.575 8.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.581 11.351 7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.553 12.597 8.411 1.00 0.00 H new ATOM 546 N ARG A 36 -3.181 11.489 5.251 1.00 0.00 N ATOM 547 CA ARG A 36 -3.387 12.103 3.948 1.00 0.00 C ATOM 548 C ARG A 36 -2.066 12.598 3.368 1.00 0.00 C ATOM 549 O ARG A 36 -1.839 12.542 2.164 1.00 0.00 O ATOM 550 CB ARG A 36 -4.376 13.270 4.058 1.00 0.00 C ATOM 551 CG ARG A 36 -5.623 12.974 4.891 1.00 0.00 C ATOM 552 CD ARG A 36 -6.317 11.689 4.453 1.00 0.00 C ATOM 553 NE ARG A 36 -6.688 11.706 3.034 1.00 0.00 N ATOM 554 CZ ARG A 36 -7.907 12.036 2.569 1.00 0.00 C ATOM 555 NH1 ARG A 36 -8.876 12.385 3.412 1.00 0.00 N ATOM 556 NH2 ARG A 36 -8.148 12.018 1.262 1.00 0.00 N ATOM 0 H ARG A 36 -3.643 11.978 6.018 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.800 11.348 3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.860 14.126 4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.687 13.561 3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.345 12.895 5.942 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.320 13.808 4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.658 10.841 4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.212 11.539 5.057 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.973 11.450 2.353 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.697 12.403 4.416 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.798 12.634 3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.409 11.754 0.611 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.072 12.268 0.910 1.00 0.00 H new ATOM 570 N HIS A 37 -1.183 13.068 4.240 1.00 0.00 N ATOM 571 CA HIS A 37 0.116 13.585 3.821 1.00 0.00 C ATOM 572 C HIS A 37 1.190 12.515 3.950 1.00 0.00 C ATOM 573 O HIS A 37 2.381 12.779 3.771 1.00 0.00 O ATOM 574 CB HIS A 37 0.499 14.800 4.667 1.00 0.00 C ATOM 575 CG HIS A 37 -0.311 16.028 4.374 1.00 0.00 C ATOM 576 ND1 HIS A 37 -1.211 16.575 5.264 1.00 0.00 N ATOM 577 CD2 HIS A 37 -0.338 16.828 3.284 1.00 0.00 C ATOM 578 CE1 HIS A 37 -1.752 17.653 4.734 1.00 0.00 C ATOM 579 NE2 HIS A 37 -1.238 17.829 3.533 1.00 0.00 N ATOM 0 H HIS A 37 -1.343 13.102 5.247 1.00 0.00 H new ATOM 0 HA HIS A 37 0.041 13.882 2.775 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.386 14.546 5.721 1.00 0.00 H new ATOM 0 HB3 HIS A 37 1.553 15.025 4.504 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.243 16.701 2.383 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -2.491 18.285 5.204 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -1.473 18.588 2.893 1.00 0.00 H new ATOM 588 N THR A 38 0.773 11.315 4.270 1.00 0.00 N ATOM 589 CA THR A 38 1.682 10.214 4.445 1.00 0.00 C ATOM 590 C THR A 38 1.831 9.418 3.153 1.00 0.00 C ATOM 591 O THR A 38 0.840 9.070 2.515 1.00 0.00 O ATOM 592 CB THR A 38 1.227 9.290 5.600 1.00 0.00 C ATOM 593 OG1 THR A 38 1.450 9.951 6.850 1.00 0.00 O ATOM 594 CG2 THR A 38 1.985 7.973 5.585 1.00 0.00 C ATOM 0 H THR A 38 -0.208 11.076 4.416 1.00 0.00 H new ATOM 0 HA THR A 38 2.655 10.630 4.707 1.00 0.00 H new ATOM 0 HB THR A 38 0.166 9.075 5.469 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.313 9.317 7.584 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.642 7.347 6.409 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.805 7.460 4.640 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.052 8.166 5.696 1.00 0.00 H new ATOM 602 N PRO A 39 3.078 9.146 2.744 1.00 0.00 N ATOM 603 CA PRO A 39 3.363 8.386 1.526 1.00 0.00 C ATOM 604 C PRO A 39 2.929 6.932 1.643 1.00 0.00 C ATOM 605 O PRO A 39 2.895 6.357 2.741 1.00 0.00 O ATOM 606 CB PRO A 39 4.886 8.470 1.404 1.00 0.00 C ATOM 607 CG PRO A 39 5.363 8.715 2.790 1.00 0.00 C ATOM 608 CD PRO A 39 4.311 9.557 3.438 1.00 0.00 C ATOM 0 HA PRO A 39 2.827 8.782 0.664 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.302 7.547 0.999 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.186 9.276 0.734 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.500 7.777 3.328 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.326 9.225 2.788 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.251 9.372 4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.510 10.621 3.309 1.00 0.00 H new ATOM 616 N LEU A 40 2.596 6.332 0.514 1.00 0.00 N ATOM 617 CA LEU A 40 2.181 4.941 0.466 1.00 0.00 C ATOM 618 C LEU A 40 3.305 3.988 0.854 1.00 0.00 C ATOM 619 O LEU A 40 3.076 2.809 1.040 1.00 0.00 O ATOM 620 CB LEU A 40 1.633 4.572 -0.912 1.00 0.00 C ATOM 621 CG LEU A 40 0.367 5.302 -1.345 1.00 0.00 C ATOM 622 CD1 LEU A 40 -0.212 4.684 -2.599 1.00 0.00 C ATOM 623 CD2 LEU A 40 -0.659 5.341 -0.226 1.00 0.00 C ATOM 0 H LEU A 40 2.606 6.795 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 40 1.384 4.832 1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.410 4.762 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.434 3.500 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 40 0.639 6.332 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.115 5.223 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.519 4.744 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.458 3.639 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.550 5.868 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.926 4.323 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.238 5.859 0.636 1.00 0.00 H new ATOM 635 N SER A 41 4.528 4.494 0.949 1.00 0.00 N ATOM 636 CA SER A 41 5.676 3.673 1.338 1.00 0.00 C ATOM 637 C SER A 41 5.366 2.854 2.596 1.00 0.00 C ATOM 638 O SER A 41 5.690 1.661 2.678 1.00 0.00 O ATOM 639 CB SER A 41 6.898 4.562 1.565 1.00 0.00 C ATOM 640 OG SER A 41 6.573 5.658 2.406 1.00 0.00 O ATOM 0 H SER A 41 4.755 5.471 0.762 1.00 0.00 H new ATOM 0 HA SER A 41 5.891 2.974 0.530 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.700 3.977 2.015 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.269 4.929 0.608 1.00 0.00 H new ATOM 0 HG SER A 41 7.369 6.214 2.541 1.00 0.00 H new ATOM 672 N LEU A 43 2.317 2.184 3.553 1.00 0.00 N ATOM 673 CA LEU A 43 1.198 1.340 3.128 1.00 0.00 C ATOM 674 C LEU A 43 1.712 0.035 2.527 1.00 0.00 C ATOM 675 O LEU A 43 1.314 -1.059 2.946 1.00 0.00 O ATOM 676 CB LEU A 43 0.301 2.109 2.114 1.00 0.00 C ATOM 677 CG LEU A 43 -0.773 1.290 1.362 1.00 0.00 C ATOM 678 CD1 LEU A 43 -1.918 2.180 0.930 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.179 0.641 0.128 1.00 0.00 C ATOM 0 HA LEU A 43 0.592 1.092 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.201 2.914 2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.951 2.575 1.374 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.140 0.523 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.663 1.584 0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.374 2.637 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.543 2.960 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.949 0.069 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.208 1.412 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.632 -0.025 0.422 1.00 0.00 H new ATOM 691 N MET A 44 2.606 0.147 1.541 1.00 0.00 N ATOM 692 CA MET A 44 3.178 -1.023 0.892 1.00 0.00 C ATOM 693 C MET A 44 3.905 -1.887 1.898 1.00 0.00 C ATOM 694 O MET A 44 3.827 -3.116 1.856 1.00 0.00 O ATOM 695 CB MET A 44 4.136 -0.636 -0.246 1.00 0.00 C ATOM 696 CG MET A 44 3.460 -0.215 -1.545 1.00 0.00 C ATOM 697 SD MET A 44 2.863 1.473 -1.532 1.00 0.00 S ATOM 698 CE MET A 44 2.245 1.615 -3.201 1.00 0.00 C ATOM 0 H MET A 44 2.946 1.038 1.179 1.00 0.00 H new ATOM 0 HA MET A 44 2.351 -1.587 0.461 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.771 0.181 0.096 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.790 -1.483 -0.453 1.00 0.00 H new ATOM 0 HG2 MET A 44 4.166 -0.335 -2.367 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.624 -0.885 -1.743 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.837 2.614 -3.354 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.058 1.443 -3.906 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.462 0.874 -3.363 1.00 0.00 H new ATOM 708 N LYS A 45 4.610 -1.248 2.818 1.00 0.00 N ATOM 709 CA LYS A 45 5.348 -1.971 3.828 1.00 0.00 C ATOM 710 C LYS A 45 4.401 -2.639 4.827 1.00 0.00 C ATOM 711 O LYS A 45 4.612 -3.776 5.212 1.00 0.00 O ATOM 712 CB LYS A 45 6.348 -1.052 4.545 1.00 0.00 C ATOM 713 CG LYS A 45 7.176 -1.753 5.621 1.00 0.00 C ATOM 714 CD LYS A 45 7.966 -2.933 5.058 1.00 0.00 C ATOM 715 CE LYS A 45 9.167 -2.479 4.235 1.00 0.00 C ATOM 716 NZ LYS A 45 10.188 -1.792 5.070 1.00 0.00 N ATOM 0 H LYS A 45 4.684 -0.233 2.882 1.00 0.00 H new ATOM 0 HA LYS A 45 5.916 -2.756 3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.023 -0.620 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.803 -0.225 5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.864 -1.038 6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.516 -2.104 6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.307 -3.565 5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.311 -3.544 4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.619 -3.342 3.747 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.832 -1.806 3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.086 -1.742 4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.863 -0.830 5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.329 -2.323 5.953 1.00 0.00 H new ATOM 730 N ALA A 46 3.338 -1.936 5.216 1.00 0.00 N ATOM 731 CA ALA A 46 2.364 -2.471 6.169 1.00 0.00 C ATOM 732 C ALA A 46 1.800 -3.790 5.664 1.00 0.00 C ATOM 733 O ALA A 46 1.762 -4.792 6.386 1.00 0.00 O ATOM 734 CB ALA A 46 1.239 -1.474 6.403 1.00 0.00 C ATOM 0 H ALA A 46 3.129 -0.994 4.886 1.00 0.00 H new ATOM 0 HA ALA A 46 2.873 -2.646 7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.526 -1.891 7.114 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.651 -0.548 6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.733 -1.268 5.460 1.00 0.00 H new ATOM 740 N TYR A 47 1.376 -3.799 4.410 1.00 0.00 N ATOM 741 CA TYR A 47 0.855 -5.004 3.799 1.00 0.00 C ATOM 742 C TYR A 47 1.955 -6.068 3.675 1.00 0.00 C ATOM 743 O TYR A 47 1.716 -7.270 3.897 1.00 0.00 O ATOM 744 CB TYR A 47 0.255 -4.690 2.425 1.00 0.00 C ATOM 745 CG TYR A 47 -0.069 -5.923 1.622 1.00 0.00 C ATOM 746 CD1 TYR A 47 -1.262 -6.600 1.806 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.829 -6.416 0.689 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.555 -7.736 1.081 1.00 0.00 C ATOM 749 CE2 TYR A 47 0.549 -7.547 -0.042 1.00 0.00 C ATOM 750 CZ TYR A 47 -0.645 -8.206 0.156 1.00 0.00 C ATOM 751 OH TYR A 47 -0.925 -9.346 -0.568 1.00 0.00 O ATOM 0 H TYR A 47 1.384 -2.983 3.798 1.00 0.00 H new ATOM 0 HA TYR A 47 0.067 -5.400 4.439 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.653 -4.102 2.558 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.955 -4.072 1.863 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.975 -6.233 2.529 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.766 -5.903 0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.490 -8.254 1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.260 -7.916 -0.766 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.181 -9.539 -1.176 1.00 0.00 H new ATOM 761 N CYS A 48 3.159 -5.620 3.330 1.00 0.00 N ATOM 762 CA CYS A 48 4.316 -6.502 3.168 1.00 0.00 C ATOM 763 C CYS A 48 4.638 -7.216 4.473 1.00 0.00 C ATOM 764 O CYS A 48 4.968 -8.394 4.486 1.00 0.00 O ATOM 765 CB CYS A 48 5.525 -5.689 2.667 1.00 0.00 C ATOM 766 SG CYS A 48 7.145 -6.292 3.197 1.00 0.00 S ATOM 0 H CYS A 48 3.362 -4.636 3.154 1.00 0.00 H new ATOM 0 HA CYS A 48 4.078 -7.265 2.426 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.502 -5.672 1.577 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.412 -4.659 3.005 1.00 0.00 H new ATOM 0 HG CYS A 48 7.298 -7.523 2.808 1.00 0.00 H new ATOM 772 N GLU A 49 4.503 -6.503 5.567 1.00 0.00 N ATOM 773 CA GLU A 49 4.771 -7.044 6.890 1.00 0.00 C ATOM 774 C GLU A 49 3.758 -8.116 7.253 1.00 0.00 C ATOM 775 O GLU A 49 4.110 -9.194 7.728 1.00 0.00 O ATOM 776 CB GLU A 49 4.713 -5.923 7.913 1.00 0.00 C ATOM 777 CG GLU A 49 5.767 -4.862 7.706 1.00 0.00 C ATOM 778 CD GLU A 49 7.136 -5.318 8.130 1.00 0.00 C ATOM 779 OE1 GLU A 49 7.324 -5.603 9.331 1.00 0.00 O ATOM 780 OE2 GLU A 49 8.032 -5.399 7.274 1.00 0.00 O ATOM 0 H GLU A 49 4.204 -5.528 5.570 1.00 0.00 H new ATOM 0 HA GLU A 49 5.763 -7.495 6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.728 -5.458 7.874 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.827 -6.347 8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.792 -4.580 6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.495 -3.969 8.269 1.00 0.00 H new ATOM 787 N ARG A 50 2.491 -7.815 7.010 1.00 0.00 N ATOM 788 CA ARG A 50 1.392 -8.724 7.326 1.00 0.00 C ATOM 789 C ARG A 50 1.527 -10.046 6.593 1.00 0.00 C ATOM 790 O ARG A 50 1.388 -11.114 7.180 1.00 0.00 O ATOM 791 CB ARG A 50 0.066 -8.077 6.960 1.00 0.00 C ATOM 792 CG ARG A 50 -0.240 -6.827 7.747 1.00 0.00 C ATOM 793 CD ARG A 50 -0.499 -7.142 9.203 1.00 0.00 C ATOM 794 NE ARG A 50 -1.675 -8.003 9.375 1.00 0.00 N ATOM 795 CZ ARG A 50 -2.446 -8.015 10.464 1.00 0.00 C ATOM 796 NH1 ARG A 50 -2.163 -7.228 11.490 1.00 0.00 N ATOM 797 NH2 ARG A 50 -3.500 -8.819 10.525 1.00 0.00 N ATOM 0 H ARG A 50 2.193 -6.935 6.589 1.00 0.00 H new ATOM 0 HA ARG A 50 1.427 -8.925 8.397 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.072 -7.834 5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.735 -8.799 7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.595 -6.131 7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.111 -6.330 7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.376 -7.633 9.630 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.645 -6.214 9.755 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.919 -8.634 8.612 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.353 -6.609 11.450 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.755 -7.240 12.321 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.722 -9.429 9.739 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.088 -8.827 11.358 1.00 0.00 H new ATOM 811 N GLN A 51 1.791 -9.972 5.307 1.00 0.00 N ATOM 812 CA GLN A 51 1.907 -11.173 4.487 1.00 0.00 C ATOM 813 C GLN A 51 3.308 -11.781 4.558 1.00 0.00 C ATOM 814 O GLN A 51 3.499 -12.964 4.273 1.00 0.00 O ATOM 815 CB GLN A 51 1.515 -10.879 3.033 1.00 0.00 C ATOM 816 CG GLN A 51 0.061 -11.221 2.701 1.00 0.00 C ATOM 817 CD GLN A 51 -0.962 -10.448 3.528 1.00 0.00 C ATOM 818 OE1 GLN A 51 -0.671 -9.198 3.836 1.00 0.00 O flip ATOM 819 NE2 GLN A 51 -2.027 -10.970 3.860 1.00 0.00 N flip ATOM 0 H GLN A 51 1.930 -9.098 4.801 1.00 0.00 H new ATOM 0 HA GLN A 51 1.213 -11.910 4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.685 -9.822 2.828 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.171 -11.442 2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.116 -11.022 1.644 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.095 -12.289 2.855 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.221 -11.939 3.606 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.715 -10.434 4.389 1.00 0.00 H new ATOM 828 N GLY A 52 4.286 -10.977 4.937 1.00 0.00 N ATOM 829 CA GLY A 52 5.650 -11.466 5.056 1.00 0.00 C ATOM 830 C GLY A 52 6.376 -11.501 3.725 1.00 0.00 C ATOM 831 O GLY A 52 7.505 -11.985 3.630 1.00 0.00 O ATOM 0 H GLY A 52 4.164 -9.991 5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.201 -10.830 5.749 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.637 -12.468 5.485 1.00 0.00 H new ATOM 835 N LEU A 53 5.728 -11.005 2.690 1.00 0.00 N ATOM 836 CA LEU A 53 6.300 -10.976 1.353 1.00 0.00 C ATOM 837 C LEU A 53 7.130 -9.715 1.123 1.00 0.00 C ATOM 838 O LEU A 53 7.219 -8.855 1.985 1.00 0.00 O ATOM 839 CB LEU A 53 5.189 -11.113 0.291 1.00 0.00 C ATOM 840 CG LEU A 53 3.963 -10.189 0.447 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.303 -8.751 0.112 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.812 -10.684 -0.415 1.00 0.00 C ATOM 0 H LEU A 53 4.790 -10.610 2.749 1.00 0.00 H new ATOM 0 HA LEU A 53 6.975 -11.826 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.630 -10.930 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.840 -12.145 0.295 1.00 0.00 H new ATOM 0 HG LEU A 53 3.655 -10.218 1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.416 -8.130 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.088 -8.397 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.651 -8.690 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.955 -10.021 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.118 -10.693 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.536 -11.693 -0.109 1.00 0.00 H new ATOM 854 N SER A 54 7.739 -9.619 -0.040 1.00 0.00 N ATOM 855 CA SER A 54 8.549 -8.472 -0.403 1.00 0.00 C ATOM 856 C SER A 54 7.703 -7.478 -1.205 1.00 0.00 C ATOM 857 O SER A 54 7.040 -7.858 -2.171 1.00 0.00 O ATOM 858 CB SER A 54 9.743 -8.941 -1.238 1.00 0.00 C ATOM 859 OG SER A 54 10.515 -9.901 -0.533 1.00 0.00 O ATOM 0 H SER A 54 7.687 -10.336 -0.764 1.00 0.00 H new ATOM 0 HA SER A 54 8.913 -7.978 0.498 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.389 -9.372 -2.175 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.368 -8.086 -1.496 1.00 0.00 H new ATOM 0 HG SER A 54 11.270 -10.185 -1.089 1.00 0.00 H new ATOM 865 N MET A 55 7.732 -6.201 -0.818 1.00 0.00 N ATOM 866 CA MET A 55 6.934 -5.169 -1.504 1.00 0.00 C ATOM 867 C MET A 55 7.402 -4.971 -2.946 1.00 0.00 C ATOM 868 O MET A 55 6.645 -4.535 -3.805 1.00 0.00 O ATOM 869 CB MET A 55 6.984 -3.823 -0.758 1.00 0.00 C ATOM 870 CG MET A 55 8.381 -3.235 -0.622 1.00 0.00 C ATOM 871 SD MET A 55 8.395 -1.432 -0.676 1.00 0.00 S ATOM 872 CE MET A 55 7.509 -1.029 0.824 1.00 0.00 C ATOM 0 H MET A 55 8.293 -5.853 -0.040 1.00 0.00 H new ATOM 0 HA MET A 55 5.904 -5.524 -1.512 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.350 -3.107 -1.281 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.560 -3.956 0.237 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.820 -3.568 0.319 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.012 -3.622 -1.422 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.793 -0.233 0.621 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.979 -1.912 1.182 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.215 -0.696 1.585 1.00 0.00 H new ATOM 882 N ARG A 56 8.653 -5.300 -3.208 1.00 0.00 N ATOM 883 CA ARG A 56 9.222 -5.146 -4.541 1.00 0.00 C ATOM 884 C ARG A 56 8.797 -6.295 -5.458 1.00 0.00 C ATOM 885 O ARG A 56 8.979 -6.245 -6.672 1.00 0.00 O ATOM 886 CB ARG A 56 10.742 -5.085 -4.447 1.00 0.00 C ATOM 887 CG ARG A 56 11.379 -6.355 -3.917 1.00 0.00 C ATOM 888 CD ARG A 56 12.862 -6.168 -3.674 1.00 0.00 C ATOM 889 NE ARG A 56 13.128 -5.217 -2.588 1.00 0.00 N ATOM 890 CZ ARG A 56 14.102 -5.370 -1.686 1.00 0.00 C ATOM 891 NH1 ARG A 56 14.898 -6.435 -1.737 1.00 0.00 N ATOM 892 NH2 ARG A 56 14.277 -4.457 -0.735 1.00 0.00 N ATOM 0 H ARG A 56 9.300 -5.677 -2.515 1.00 0.00 H new ATOM 0 HA ARG A 56 8.847 -4.217 -4.970 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.149 -4.872 -5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.023 -4.253 -3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.891 -6.649 -2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.225 -7.166 -4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.313 -7.130 -3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.337 -5.815 -4.589 1.00 0.00 H new ATOM 0 HE ARG A 56 12.534 -4.391 -2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.765 -7.136 -2.466 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.641 -6.550 -1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.668 -3.640 -0.694 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.020 -4.574 -0.046 1.00 0.00 H new ATOM 906 N GLN A 57 8.233 -7.332 -4.867 1.00 0.00 N ATOM 907 CA GLN A 57 7.808 -8.512 -5.606 1.00 0.00 C ATOM 908 C GLN A 57 6.320 -8.467 -5.893 1.00 0.00 C ATOM 909 O GLN A 57 5.729 -9.433 -6.374 1.00 0.00 O ATOM 910 CB GLN A 57 8.145 -9.757 -4.802 1.00 0.00 C ATOM 911 CG GLN A 57 9.619 -9.893 -4.488 1.00 0.00 C ATOM 912 CD GLN A 57 10.463 -10.150 -5.716 1.00 0.00 C ATOM 913 OE1 GLN A 57 10.909 -9.089 -6.359 1.00 0.00 O flip ATOM 914 NE2 GLN A 57 10.703 -11.295 -6.087 1.00 0.00 N flip ATOM 0 H GLN A 57 8.056 -7.383 -3.864 1.00 0.00 H new ATOM 0 HA GLN A 57 8.335 -8.536 -6.560 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.583 -9.740 -3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.817 -10.637 -5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.966 -8.983 -3.999 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.760 -10.709 -3.779 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.338 -12.089 -5.560 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.267 -11.453 -6.922 1.00 0.00 H new ATOM 923 N ILE A 58 5.707 -7.350 -5.601 1.00 0.00 N ATOM 924 CA ILE A 58 4.290 -7.197 -5.797 1.00 0.00 C ATOM 925 C ILE A 58 3.974 -5.847 -6.397 1.00 0.00 C ATOM 926 O ILE A 58 4.855 -5.002 -6.556 1.00 0.00 O ATOM 927 CB ILE A 58 3.515 -7.359 -4.472 1.00 0.00 C ATOM 928 CG1 ILE A 58 4.101 -6.446 -3.410 1.00 0.00 C ATOM 929 CG2 ILE A 58 3.555 -8.795 -4.004 1.00 0.00 C ATOM 930 CD1 ILE A 58 3.277 -6.372 -2.148 1.00 0.00 C ATOM 0 H ILE A 58 6.173 -6.525 -5.223 1.00 0.00 H new ATOM 0 HA ILE A 58 3.975 -7.982 -6.484 1.00 0.00 H new ATOM 0 HB ILE A 58 2.475 -7.081 -4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.103 -6.793 -3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.206 -5.443 -3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.003 -8.888 -3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.101 -9.437 -4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.590 -9.098 -3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.759 -5.701 -1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.282 -5.995 -2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.194 -7.366 -1.709 1.00 0.00 H new ATOM 942 N ARG A 59 2.720 -5.639 -6.718 1.00 0.00 N ATOM 943 CA ARG A 59 2.276 -4.401 -7.299 1.00 0.00 C ATOM 944 C ARG A 59 0.952 -3.991 -6.721 1.00 0.00 C ATOM 945 O ARG A 59 0.116 -4.838 -6.387 1.00 0.00 O ATOM 946 CB ARG A 59 2.185 -4.500 -8.814 1.00 0.00 C ATOM 947 CG ARG A 59 3.525 -4.570 -9.515 1.00 0.00 C ATOM 948 CD ARG A 59 4.410 -3.399 -9.124 1.00 0.00 C ATOM 949 NE ARG A 59 5.505 -3.204 -10.073 1.00 0.00 N ATOM 950 CZ ARG A 59 6.604 -2.494 -9.819 1.00 0.00 C ATOM 951 NH1 ARG A 59 6.799 -1.962 -8.617 1.00 0.00 N ATOM 952 NH2 ARG A 59 7.515 -2.330 -10.767 1.00 0.00 N ATOM 0 H ARG A 59 1.979 -6.327 -6.582 1.00 0.00 H new ATOM 0 HA ARG A 59 3.015 -3.638 -7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.605 -5.385 -9.074 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.636 -3.637 -9.191 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.023 -5.506 -9.262 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.374 -4.571 -10.595 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.809 -2.491 -9.071 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.819 -3.569 -8.128 1.00 0.00 H new ATOM 0 HE ARG A 59 5.422 -3.641 -10.991 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.105 -2.096 -7.881 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.643 -1.420 -8.430 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.374 -2.746 -11.687 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.357 -1.787 -10.576 1.00 0.00 H new ATOM 966 N PHE A 60 0.761 -2.695 -6.596 1.00 0.00 N ATOM 967 CA PHE A 60 -0.445 -2.141 -6.025 1.00 0.00 C ATOM 968 C PHE A 60 -1.204 -1.346 -7.068 1.00 0.00 C ATOM 969 O PHE A 60 -0.642 -0.470 -7.735 1.00 0.00 O ATOM 970 CB PHE A 60 -0.105 -1.235 -4.831 1.00 0.00 C ATOM 971 CG PHE A 60 0.475 -1.954 -3.643 1.00 0.00 C ATOM 972 CD1 PHE A 60 1.737 -2.529 -3.702 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.245 -2.047 -2.463 1.00 0.00 C ATOM 974 CE1 PHE A 60 2.265 -3.182 -2.602 1.00 0.00 C ATOM 975 CE2 PHE A 60 0.281 -2.699 -1.362 1.00 0.00 C ATOM 976 CZ PHE A 60 1.535 -3.267 -1.433 1.00 0.00 C ATOM 0 H PHE A 60 1.442 -1.994 -6.889 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.070 -2.964 -5.680 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.603 -0.474 -5.159 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.010 -0.715 -4.518 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.312 -2.466 -4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.229 -1.605 -2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.248 -3.625 -2.658 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.290 -2.763 -0.448 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.946 -3.778 -0.575 1.00 0.00 H new ATOM 986 N ARG A 61 -2.477 -1.648 -7.222 1.00 0.00 N ATOM 987 CA ARG A 61 -3.311 -0.923 -8.162 1.00 0.00 C ATOM 988 C ARG A 61 -4.617 -0.506 -7.515 1.00 0.00 C ATOM 989 O ARG A 61 -5.270 -1.288 -6.818 1.00 0.00 O ATOM 990 CB ARG A 61 -3.536 -1.731 -9.451 1.00 0.00 C ATOM 991 CG ARG A 61 -4.336 -3.006 -9.281 1.00 0.00 C ATOM 992 CD ARG A 61 -5.786 -2.865 -9.719 1.00 0.00 C ATOM 993 NE ARG A 61 -6.480 -4.154 -9.653 1.00 0.00 N ATOM 994 CZ ARG A 61 -7.678 -4.411 -10.178 1.00 0.00 C ATOM 995 NH1 ARG A 61 -8.315 -3.489 -10.885 1.00 0.00 N ATOM 996 NH2 ARG A 61 -8.223 -5.607 -10.006 1.00 0.00 N ATOM 0 H ARG A 61 -2.957 -2.388 -6.710 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.785 -0.012 -8.449 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.045 -1.095 -10.175 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.565 -1.984 -9.876 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.865 -3.803 -9.857 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.307 -3.309 -8.234 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.294 -2.141 -9.082 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.827 -2.477 -10.737 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.008 -4.916 -9.166 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.889 -2.574 -11.031 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.231 -3.694 -11.283 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.726 -6.322 -9.475 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.139 -5.812 -10.404 1.00 0.00 H new ATOM 1010 N PHE A 62 -4.986 0.729 -7.731 1.00 0.00 N ATOM 1011 CA PHE A 62 -6.170 1.299 -7.146 1.00 0.00 C ATOM 1012 C PHE A 62 -7.028 1.933 -8.216 1.00 0.00 C ATOM 1013 O PHE A 62 -6.535 2.678 -9.043 1.00 0.00 O ATOM 1014 CB PHE A 62 -5.768 2.356 -6.116 1.00 0.00 C ATOM 1015 CG PHE A 62 -6.917 3.115 -5.532 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.653 2.584 -4.497 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.254 4.369 -6.020 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.706 3.284 -3.953 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.307 5.073 -5.482 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.035 4.531 -4.447 1.00 0.00 C ATOM 0 H PHE A 62 -4.466 1.375 -8.325 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.742 0.510 -6.658 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.221 1.870 -5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.083 3.062 -6.585 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.402 1.608 -4.108 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.684 4.797 -6.831 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.275 2.858 -3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.562 6.048 -5.871 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.862 5.080 -4.022 1.00 0.00 H new ATOM 1030 N ASP A 63 -8.312 1.631 -8.198 1.00 0.00 N ATOM 1031 CA ASP A 63 -9.277 2.202 -9.146 1.00 0.00 C ATOM 1032 C ASP A 63 -8.838 2.059 -10.597 1.00 0.00 C ATOM 1033 O ASP A 63 -9.171 2.887 -11.441 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.544 3.673 -8.818 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.905 3.882 -8.190 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.029 3.756 -6.957 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -11.866 4.161 -8.934 1.00 0.00 O ATOM 0 H ASP A 63 -8.726 0.983 -7.528 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.198 1.630 -9.035 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.773 4.038 -8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.472 4.265 -9.730 1.00 0.00 H new ATOM 1042 N GLY A 64 -8.117 0.997 -10.900 1.00 0.00 N ATOM 1043 CA GLY A 64 -7.665 0.775 -12.257 1.00 0.00 C ATOM 1044 C GLY A 64 -6.325 1.419 -12.566 1.00 0.00 C ATOM 1045 O GLY A 64 -5.810 1.282 -13.674 1.00 0.00 O ATOM 0 H GLY A 64 -7.834 0.281 -10.231 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.593 -0.298 -12.436 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.413 1.163 -12.948 1.00 0.00 H new ATOM 1049 N GLN A 65 -5.746 2.123 -11.607 1.00 0.00 N ATOM 1050 CA GLN A 65 -4.452 2.769 -11.826 1.00 0.00 C ATOM 1051 C GLN A 65 -3.420 2.332 -10.781 1.00 0.00 C ATOM 1052 O GLN A 65 -3.722 2.239 -9.594 1.00 0.00 O ATOM 1053 CB GLN A 65 -4.596 4.299 -11.844 1.00 0.00 C ATOM 1054 CG GLN A 65 -5.256 4.877 -10.608 1.00 0.00 C ATOM 1055 CD GLN A 65 -5.441 6.372 -10.691 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -4.590 7.142 -10.258 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.543 6.787 -11.271 1.00 0.00 N ATOM 0 H GLN A 65 -6.142 2.264 -10.678 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.089 2.449 -12.803 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.607 4.744 -11.956 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.176 4.588 -12.720 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.227 4.402 -10.464 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.651 4.638 -9.733 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.224 6.110 -11.616 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.719 7.786 -11.376 1.00 0.00 H new ATOM 1066 N PRO A 66 -2.195 2.038 -11.224 1.00 0.00 N ATOM 1067 CA PRO A 66 -1.102 1.627 -10.335 1.00 0.00 C ATOM 1068 C PRO A 66 -0.577 2.795 -9.496 1.00 0.00 C ATOM 1069 O PRO A 66 -0.537 3.945 -9.958 1.00 0.00 O ATOM 1070 CB PRO A 66 -0.024 1.141 -11.306 1.00 0.00 C ATOM 1071 CG PRO A 66 -0.283 1.901 -12.562 1.00 0.00 C ATOM 1072 CD PRO A 66 -1.774 2.082 -12.635 1.00 0.00 C ATOM 0 HA PRO A 66 -1.417 0.872 -9.615 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.976 1.340 -10.921 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.094 0.066 -11.471 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.227 2.864 -12.548 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.087 1.357 -13.431 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.041 3.029 -13.104 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.246 1.292 -13.220 1.00 0.00 H new ATOM 1080 N ILE A 67 -0.157 2.509 -8.274 1.00 0.00 N ATOM 1081 CA ILE A 67 0.344 3.548 -7.378 1.00 0.00 C ATOM 1082 C ILE A 67 1.699 3.187 -6.803 1.00 0.00 C ATOM 1083 O ILE A 67 1.948 2.049 -6.402 1.00 0.00 O ATOM 1084 CB ILE A 67 -0.630 3.886 -6.207 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -1.042 2.622 -5.412 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -1.853 4.645 -6.714 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -2.180 1.837 -6.022 1.00 0.00 C ATOM 0 H ILE A 67 -0.152 1.569 -7.877 1.00 0.00 H new ATOM 0 HA ILE A 67 0.433 4.436 -8.004 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.092 4.535 -5.516 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.175 1.968 -5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.324 2.920 -4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.515 4.868 -5.878 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.535 5.576 -7.183 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.384 4.034 -7.444 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.400 0.970 -5.398 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.065 2.470 -6.088 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.898 1.503 -7.020 1.00 0.00 H new ATOM 1099 N ASN A 68 2.580 4.156 -6.791 1.00 0.00 N ATOM 1100 CA ASN A 68 3.913 4.001 -6.245 1.00 0.00 C ATOM 1101 C ASN A 68 3.947 4.428 -4.789 1.00 0.00 C ATOM 1102 O ASN A 68 3.107 5.205 -4.340 1.00 0.00 O ATOM 1103 CB ASN A 68 4.915 4.823 -7.062 1.00 0.00 C ATOM 1104 CG ASN A 68 4.261 6.019 -7.743 1.00 0.00 C ATOM 1105 OD1 ASN A 68 3.808 5.928 -8.887 1.00 0.00 O ATOM 1106 ND2 ASN A 68 4.185 7.127 -7.049 1.00 0.00 N ATOM 0 H ASN A 68 2.393 5.087 -7.164 1.00 0.00 H new ATOM 0 HA ASN A 68 4.190 2.948 -6.301 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.714 5.172 -6.408 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.376 4.185 -7.816 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.740 7.952 -7.452 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.571 7.165 -6.106 1.00 0.00 H new ATOM 1113 N GLU A 69 4.933 3.929 -4.052 1.00 0.00 N ATOM 1114 CA GLU A 69 5.079 4.228 -2.623 1.00 0.00 C ATOM 1115 C GLU A 69 5.325 5.716 -2.366 1.00 0.00 C ATOM 1116 O GLU A 69 5.135 6.212 -1.257 1.00 0.00 O ATOM 1117 CB GLU A 69 6.225 3.412 -2.029 1.00 0.00 C ATOM 1118 CG GLU A 69 7.495 3.446 -2.857 1.00 0.00 C ATOM 1119 CD GLU A 69 8.712 3.012 -2.066 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.146 3.771 -1.174 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.248 1.919 -2.339 1.00 0.00 O ATOM 0 H GLU A 69 5.653 3.308 -4.421 1.00 0.00 H new ATOM 0 HA GLU A 69 4.140 3.957 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.444 3.786 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.902 2.377 -1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.378 2.796 -3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.652 4.456 -3.235 1.00 0.00 H new ATOM 1128 N THR A 70 5.739 6.425 -3.390 1.00 0.00 N ATOM 1129 CA THR A 70 6.036 7.835 -3.276 1.00 0.00 C ATOM 1130 C THR A 70 4.763 8.676 -3.339 1.00 0.00 C ATOM 1131 O THR A 70 4.776 9.875 -3.045 1.00 0.00 O ATOM 1132 CB THR A 70 6.992 8.268 -4.392 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.423 7.927 -5.660 1.00 0.00 O ATOM 1134 CG2 THR A 70 8.321 7.562 -4.248 1.00 0.00 C ATOM 0 H THR A 70 5.880 6.042 -4.325 1.00 0.00 H new ATOM 0 HA THR A 70 6.510 7.997 -2.308 1.00 0.00 H new ATOM 0 HB THR A 70 7.147 9.345 -4.324 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.031 8.204 -6.377 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.990 7.879 -5.048 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.763 7.812 -3.284 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.169 6.484 -4.308 1.00 0.00 H new ATOM 1142 N ASP A 71 3.661 8.047 -3.713 1.00 0.00 N ATOM 1143 CA ASP A 71 2.387 8.740 -3.821 1.00 0.00 C ATOM 1144 C ASP A 71 1.656 8.741 -2.488 1.00 0.00 C ATOM 1145 O ASP A 71 1.955 7.939 -1.606 1.00 0.00 O ATOM 1146 CB ASP A 71 1.513 8.102 -4.907 1.00 0.00 C ATOM 1147 CG ASP A 71 1.332 9.008 -6.104 1.00 0.00 C ATOM 1148 OD1 ASP A 71 0.500 9.927 -6.031 1.00 0.00 O ATOM 1149 OD2 ASP A 71 2.028 8.809 -7.124 1.00 0.00 O ATOM 0 H ASP A 71 3.623 7.055 -3.948 1.00 0.00 H new ATOM 0 HA ASP A 71 2.590 9.773 -4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.965 7.164 -5.229 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.537 7.858 -4.488 1.00 0.00 H new ATOM 1154 N THR A 72 0.718 9.651 -2.330 1.00 0.00 N ATOM 1155 CA THR A 72 -0.059 9.757 -1.100 1.00 0.00 C ATOM 1156 C THR A 72 -1.540 9.497 -1.376 1.00 0.00 C ATOM 1157 O THR A 72 -2.008 9.709 -2.494 1.00 0.00 O ATOM 1158 CB THR A 72 0.099 11.160 -0.472 1.00 0.00 C ATOM 1159 OG1 THR A 72 -0.176 12.166 -1.456 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.499 11.353 0.076 1.00 0.00 C ATOM 0 H THR A 72 0.469 10.337 -3.042 1.00 0.00 H new ATOM 0 HA THR A 72 0.317 9.007 -0.404 1.00 0.00 H new ATOM 0 HB THR A 72 -0.610 11.249 0.351 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.076 13.054 -1.053 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.585 12.348 0.513 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.697 10.603 0.841 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.224 11.247 -0.731 1.00 0.00 H new ATOM 1168 N PRO A 73 -2.310 9.055 -0.360 1.00 0.00 N ATOM 1169 CA PRO A 73 -3.744 8.771 -0.526 1.00 0.00 C ATOM 1170 C PRO A 73 -4.559 10.044 -0.799 1.00 0.00 C ATOM 1171 O PRO A 73 -5.724 9.988 -1.200 1.00 0.00 O ATOM 1172 CB PRO A 73 -4.141 8.154 0.821 1.00 0.00 C ATOM 1173 CG PRO A 73 -3.139 8.676 1.787 1.00 0.00 C ATOM 1174 CD PRO A 73 -1.853 8.791 1.025 1.00 0.00 C ATOM 0 HA PRO A 73 -3.938 8.121 -1.379 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.153 8.443 1.106 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.120 7.065 0.779 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.446 9.644 2.183 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.030 8.004 2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.229 9.600 1.405 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.263 7.877 1.088 1.00 0.00 H new ATOM 1182 N ALA A 74 -3.941 11.194 -0.587 1.00 0.00 N ATOM 1183 CA ALA A 74 -4.597 12.470 -0.819 1.00 0.00 C ATOM 1184 C ALA A 74 -4.257 13.010 -2.196 1.00 0.00 C ATOM 1185 O ALA A 74 -4.935 13.883 -2.719 1.00 0.00 O ATOM 1186 CB ALA A 74 -4.200 13.470 0.249 1.00 0.00 C ATOM 0 H ALA A 74 -2.980 11.270 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.674 12.312 -0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.700 14.420 0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.494 13.093 1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.120 13.617 0.226 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.207 12.474 -2.797 1.00 0.00 N ATOM 1193 CA GLN A 75 -2.755 12.924 -4.106 1.00 0.00 C ATOM 1194 C GLN A 75 -3.765 12.551 -5.180 1.00 0.00 C ATOM 1195 O GLN A 75 -3.970 13.281 -6.148 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.395 12.321 -4.413 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.710 12.906 -5.627 1.00 0.00 C ATOM 1198 CD GLN A 75 0.717 13.288 -5.326 1.00 0.00 C ATOM 1199 OE1 GLN A 75 1.003 14.433 -4.972 1.00 0.00 O ATOM 1200 NE2 GLN A 75 1.611 12.334 -5.419 1.00 0.00 N ATOM 0 H GLN A 75 -2.647 11.721 -2.396 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.665 14.010 -4.095 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.748 12.455 -3.546 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.512 11.247 -4.560 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.730 12.182 -6.441 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.259 13.784 -5.968 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.331 11.399 -5.716 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.587 12.526 -5.194 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.402 11.411 -5.004 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.428 10.956 -5.926 1.00 0.00 C ATOM 1211 C LEU A 76 -6.806 11.063 -5.283 1.00 0.00 C ATOM 1212 O LEU A 76 -7.823 10.720 -5.887 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.153 9.512 -6.450 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.545 8.472 -5.467 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.061 8.725 -5.231 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.297 8.450 -4.147 1.00 0.00 C ATOM 0 H LEU A 76 -4.227 10.777 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.402 11.611 -6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.095 9.108 -6.820 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.483 9.591 -7.306 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.650 7.493 -5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.670 7.979 -4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.525 8.658 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.924 9.720 -4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.846 7.712 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.246 9.435 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.339 8.187 -4.326 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.818 11.558 -4.040 1.00 0.00 N ATOM 1229 CA GLU A 77 -8.036 11.748 -3.256 1.00 0.00 C ATOM 1230 C GLU A 77 -8.919 10.512 -3.205 1.00 0.00 C ATOM 1231 O GLU A 77 -10.074 10.531 -3.636 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.822 12.964 -3.737 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.281 14.272 -3.202 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.377 14.352 -1.690 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -9.428 14.779 -1.177 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -7.401 13.991 -1.006 1.00 0.00 O ATOM 0 H GLU A 77 -5.970 11.840 -3.548 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.708 11.931 -2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.807 12.991 -4.827 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.864 12.858 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.240 14.385 -3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.834 15.101 -3.645 1.00 0.00 H new ATOM 1243 N MET A 78 -8.373 9.426 -2.690 1.00 0.00 N ATOM 1244 CA MET A 78 -9.143 8.207 -2.518 1.00 0.00 C ATOM 1245 C MET A 78 -10.107 8.360 -1.354 1.00 0.00 C ATOM 1246 O MET A 78 -10.038 9.333 -0.590 1.00 0.00 O ATOM 1247 CB MET A 78 -8.226 7.002 -2.296 1.00 0.00 C ATOM 1248 CG MET A 78 -7.194 7.204 -1.206 1.00 0.00 C ATOM 1249 SD MET A 78 -6.233 5.717 -0.856 1.00 0.00 S ATOM 1250 CE MET A 78 -5.726 5.214 -2.496 1.00 0.00 C ATOM 0 H MET A 78 -7.402 9.362 -2.384 1.00 0.00 H new ATOM 0 HA MET A 78 -9.713 8.031 -3.431 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.837 6.135 -2.047 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.713 6.772 -3.230 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.517 8.006 -1.499 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.696 7.528 -0.294 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.183 4.255 -2.740 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.045 5.963 -3.221 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.641 5.117 -2.528 1.00 0.00 H new ATOM 1260 N GLU A 79 -11.003 7.413 -1.202 1.00 0.00 N ATOM 1261 CA GLU A 79 -11.989 7.484 -0.151 1.00 0.00 C ATOM 1262 C GLU A 79 -11.522 6.705 1.074 1.00 0.00 C ATOM 1263 O GLU A 79 -10.607 5.881 0.993 1.00 0.00 O ATOM 1264 CB GLU A 79 -13.341 6.956 -0.652 1.00 0.00 C ATOM 1265 CG GLU A 79 -14.512 7.295 0.258 1.00 0.00 C ATOM 1266 CD GLU A 79 -14.690 8.790 0.444 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.923 9.394 1.228 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -15.601 9.367 -0.184 1.00 0.00 O ATOM 0 H GLU A 79 -11.069 6.584 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.115 8.527 0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.534 7.365 -1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.279 5.873 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.426 6.873 -0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.360 6.827 1.230 1.00 0.00 H new ATOM 1275 N ASP A 80 -12.140 6.967 2.211 1.00 0.00 N ATOM 1276 CA ASP A 80 -11.781 6.285 3.437 1.00 0.00 C ATOM 1277 C ASP A 80 -12.319 4.868 3.433 1.00 0.00 C ATOM 1278 O ASP A 80 -13.440 4.612 2.985 1.00 0.00 O ATOM 1279 CB ASP A 80 -12.283 7.037 4.676 1.00 0.00 C ATOM 1280 CG ASP A 80 -13.792 7.168 4.727 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -14.331 8.122 4.131 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -14.446 6.324 5.371 1.00 0.00 O ATOM 0 H ASP A 80 -12.893 7.648 2.309 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.693 6.254 3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.940 6.518 5.571 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.838 8.032 4.694 1.00 0.00 H new ATOM 1287 N GLU A 81 -11.481 3.945 3.884 1.00 0.00 N ATOM 1288 CA GLU A 81 -11.811 2.524 4.006 1.00 0.00 C ATOM 1289 C GLU A 81 -11.815 1.847 2.645 1.00 0.00 C ATOM 1290 O GLU A 81 -12.346 0.744 2.480 1.00 0.00 O ATOM 1291 CB GLU A 81 -13.140 2.304 4.740 1.00 0.00 C ATOM 1292 CG GLU A 81 -13.179 2.924 6.126 1.00 0.00 C ATOM 1293 CD GLU A 81 -14.366 2.465 6.930 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -15.505 2.848 6.594 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -14.167 1.709 7.906 1.00 0.00 O ATOM 0 H GLU A 81 -10.531 4.164 4.183 1.00 0.00 H new ATOM 0 HA GLU A 81 -11.032 2.062 4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.950 2.722 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -13.326 1.233 4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.263 2.671 6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.204 4.010 6.034 1.00 0.00 H new ATOM 1302 N ASP A 82 -11.216 2.512 1.662 1.00 0.00 N ATOM 1303 CA ASP A 82 -11.103 1.965 0.317 1.00 0.00 C ATOM 1304 C ASP A 82 -10.129 0.786 0.308 1.00 0.00 C ATOM 1305 O ASP A 82 -9.512 0.466 1.323 1.00 0.00 O ATOM 1306 CB ASP A 82 -10.622 3.037 -0.661 1.00 0.00 C ATOM 1307 CG ASP A 82 -11.317 2.948 -2.009 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.341 1.847 -2.608 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -11.838 3.977 -2.486 1.00 0.00 O ATOM 0 H ASP A 82 -10.799 3.436 1.775 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.088 1.620 0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.797 4.023 -0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.546 2.938 -0.803 1.00 0.00 H new ATOM 1314 N THR A 83 -9.968 0.154 -0.832 1.00 0.00 N ATOM 1315 CA THR A 83 -9.093 -0.997 -0.933 1.00 0.00 C ATOM 1316 C THR A 83 -8.210 -0.915 -2.185 1.00 0.00 C ATOM 1317 O THR A 83 -8.589 -0.317 -3.195 1.00 0.00 O ATOM 1318 CB THR A 83 -9.909 -2.310 -0.958 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.004 -2.214 -0.042 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.044 -3.492 -0.552 1.00 0.00 C ATOM 0 H THR A 83 -10.430 0.415 -1.703 1.00 0.00 H new ATOM 0 HA THR A 83 -8.451 -0.995 -0.052 1.00 0.00 H new ATOM 0 HB THR A 83 -10.274 -2.463 -1.974 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.520 -3.047 -0.061 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.640 -4.404 -0.577 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.208 -3.586 -1.245 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.663 -3.335 0.457 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.037 -1.523 -2.111 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.081 -1.540 -3.209 1.00 0.00 C ATOM 1330 C ILE A 84 -5.812 -2.989 -3.588 1.00 0.00 C ATOM 1331 O ILE A 84 -5.772 -3.857 -2.721 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.728 -0.841 -2.819 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.904 0.674 -2.639 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -3.644 -1.118 -3.846 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -5.606 1.072 -1.365 1.00 0.00 C ATOM 0 H ILE A 84 -6.718 -2.023 -1.281 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.505 -0.988 -4.048 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.419 -1.266 -1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.922 1.147 -2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.466 1.066 -3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.722 -0.620 -3.545 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.471 -2.192 -3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.960 -0.741 -4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.688 2.158 -1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.603 0.632 -1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.035 0.714 -0.508 1.00 0.00 H new ATOM 1347 N ASP A 85 -5.650 -3.261 -4.868 1.00 0.00 N ATOM 1348 CA ASP A 85 -5.422 -4.626 -5.332 1.00 0.00 C ATOM 1349 C ASP A 85 -3.948 -4.917 -5.437 1.00 0.00 C ATOM 1350 O ASP A 85 -3.177 -4.118 -5.986 1.00 0.00 O ATOM 1351 CB ASP A 85 -6.061 -4.823 -6.684 1.00 0.00 C ATOM 1352 CG ASP A 85 -6.023 -6.256 -7.169 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -6.474 -7.155 -6.438 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -5.577 -6.475 -8.313 1.00 0.00 O ATOM 0 H ASP A 85 -5.671 -2.560 -5.609 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.867 -5.309 -4.608 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.098 -4.491 -6.638 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.555 -4.188 -7.412 1.00 0.00 H new ATOM 1359 N VAL A 86 -3.547 -6.044 -4.915 1.00 0.00 N ATOM 1360 CA VAL A 86 -2.171 -6.462 -4.965 1.00 0.00 C ATOM 1361 C VAL A 86 -2.006 -7.725 -5.774 1.00 0.00 C ATOM 1362 O VAL A 86 -2.728 -8.708 -5.599 1.00 0.00 O ATOM 1363 CB VAL A 86 -1.568 -6.647 -3.550 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -0.397 -7.626 -3.562 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -1.108 -5.317 -3.025 1.00 0.00 C ATOM 0 H VAL A 86 -4.167 -6.701 -4.441 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.621 -5.662 -5.460 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.343 -7.058 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.000 -7.730 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.738 -8.597 -3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.385 -7.250 -4.222 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.684 -5.446 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.351 -4.905 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.956 -4.634 -2.972 1.00 0.00 H new ATOM 1375 N PHE A 87 -1.041 -7.696 -6.649 1.00 0.00 N ATOM 1376 CA PHE A 87 -0.733 -8.814 -7.499 1.00 0.00 C ATOM 1377 C PHE A 87 0.760 -9.028 -7.534 1.00 0.00 C ATOM 1378 O PHE A 87 1.537 -8.072 -7.508 1.00 0.00 O ATOM 1379 CB PHE A 87 -1.302 -8.602 -8.905 1.00 0.00 C ATOM 1380 CG PHE A 87 -1.099 -7.216 -9.465 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -1.832 -6.148 -8.974 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -0.192 -6.986 -10.480 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -1.665 -4.886 -9.477 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -0.020 -5.717 -10.997 1.00 0.00 C ATOM 1385 CZ PHE A 87 -0.758 -4.663 -10.492 1.00 0.00 C ATOM 0 H PHE A 87 -0.438 -6.886 -6.795 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.201 -9.711 -7.093 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.842 -9.323 -9.581 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.370 -8.819 -8.886 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.547 -6.314 -8.182 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.389 -7.807 -10.874 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.243 -4.065 -9.079 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.689 -5.549 -11.794 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.625 -3.668 -10.891 1.00 0.00 H new ATOM 1395 N GLN A 88 1.178 -10.274 -7.580 1.00 0.00 N ATOM 1396 CA GLN A 88 2.587 -10.582 -7.546 1.00 0.00 C ATOM 1397 C GLN A 88 3.050 -11.114 -8.889 1.00 0.00 C ATOM 1398 O GLN A 88 2.661 -12.198 -9.310 1.00 0.00 O ATOM 1399 CB GLN A 88 2.886 -11.602 -6.441 1.00 0.00 C ATOM 1400 CG GLN A 88 1.917 -11.535 -5.260 1.00 0.00 C ATOM 1401 CD GLN A 88 2.445 -12.203 -4.002 1.00 0.00 C ATOM 1402 OE1 GLN A 88 1.678 -12.784 -3.235 1.00 0.00 O ATOM 1403 NE2 GLN A 88 3.735 -12.061 -3.745 1.00 0.00 N ATOM 0 H GLN A 88 0.564 -11.086 -7.641 1.00 0.00 H new ATOM 0 HA GLN A 88 3.132 -9.663 -7.331 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.856 -12.605 -6.867 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.900 -11.441 -6.076 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.696 -10.490 -5.041 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.977 -12.007 -5.545 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.336 -11.572 -4.408 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.128 -12.440 -2.884 1.00 0.00 H new