USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=18 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= 0.498 K(o=0.67,f=0.11) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0.168 USER MOD Set 2.1: A 35 LYS NZ :NH3+ 143:sc= 1.05 (180deg=-1.37!) USER MOD Set 2.2: A 38 THR OG1 : rot -160:sc= -1.27! USER MOD Single : A 17 HIS : no HE2:sc= -1.91 K(o=-1.9,f=-3.5!) USER MOD Single : A 19 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -2.19 K(o=-2.2,f=-4.7) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.16) USER MOD Single : A 41 SER OG : rot 81:sc= 1.22 USER MOD Single : A 44 MET CE :methyl 179:sc= 0 (180deg=-0.00125) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.239 USER MOD Single : A 48 CYS SG : rot 77:sc= -5.59! USER MOD Single : A 51 GLN :FLIP amide:sc= -0.0285 F(o=-0.92,f=-0.028) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 134:sc= -0.55 (180deg=-3.2!) USER MOD Single : A 57 GLN :FLIP amide:sc=-0.00257 F(o=-0.78,f=-0.0026) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 75 GLN :FLIP amide:sc= 0 F(o=-1.9,f=0) USER MOD Single : A 78 MET CE :methyl -111:sc= -1.9 (180deg=-2.73!) USER MOD Single : A 83 THR OG1 : rot 180:sc=-0.00087 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.24 F(o=-0.94,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -6.415 10.990 10.098 1.00 0.00 N ATOM 243 CA HIS A 17 -6.011 10.098 9.040 1.00 0.00 C ATOM 244 C HIS A 17 -7.082 9.057 8.781 1.00 0.00 C ATOM 245 O HIS A 17 -7.939 8.808 9.630 1.00 0.00 O ATOM 246 CB HIS A 17 -4.649 9.459 9.344 1.00 0.00 C ATOM 247 CG HIS A 17 -4.579 8.653 10.601 1.00 0.00 C ATOM 248 ND1 HIS A 17 -4.616 9.206 11.854 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.433 7.330 10.785 1.00 0.00 C ATOM 250 CE1 HIS A 17 -4.493 8.259 12.754 1.00 0.00 C ATOM 251 NE2 HIS A 17 -4.382 7.105 12.132 1.00 0.00 N ATOM 0 HA HIS A 17 -5.892 10.680 8.126 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.374 8.818 8.507 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.901 10.250 9.399 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -4.723 10.200 12.056 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.368 6.581 10.010 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.484 8.403 13.824 1.00 0.00 H new ATOM 260 N ILE A 18 -7.031 8.432 7.621 1.00 0.00 N ATOM 261 CA ILE A 18 -8.078 7.509 7.214 1.00 0.00 C ATOM 262 C ILE A 18 -7.608 6.070 7.185 1.00 0.00 C ATOM 263 O ILE A 18 -6.418 5.778 7.313 1.00 0.00 O ATOM 264 CB ILE A 18 -8.662 7.861 5.833 1.00 0.00 C ATOM 265 CG1 ILE A 18 -7.572 7.806 4.746 1.00 0.00 C ATOM 266 CG2 ILE A 18 -9.318 9.235 5.871 1.00 0.00 C ATOM 267 CD1 ILE A 18 -8.102 7.909 3.329 1.00 0.00 C ATOM 0 H ILE A 18 -6.278 8.545 6.943 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.854 7.613 7.972 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.423 7.121 5.583 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.863 8.616 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.019 6.872 4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.726 9.471 4.888 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.122 9.234 6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.576 9.985 6.145 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.271 7.862 2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.788 7.084 3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.629 8.855 3.206 1.00 0.00 H new ATOM 279 N ASN A 19 -8.559 5.169 7.028 1.00 0.00 N ATOM 280 CA ASN A 19 -8.282 3.750 6.952 1.00 0.00 C ATOM 281 C ASN A 19 -8.162 3.334 5.504 1.00 0.00 C ATOM 282 O ASN A 19 -8.874 3.830 4.651 1.00 0.00 O ATOM 283 CB ASN A 19 -9.413 2.944 7.604 1.00 0.00 C ATOM 284 CG ASN A 19 -9.628 3.289 9.059 1.00 0.00 C ATOM 285 OD1 ASN A 19 -9.071 2.654 9.949 1.00 0.00 O ATOM 286 ND2 ASN A 19 -10.442 4.296 9.306 1.00 0.00 N ATOM 0 H ASN A 19 -9.549 5.403 6.949 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.349 3.553 7.480 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.338 3.119 7.055 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.188 1.881 7.519 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.630 4.575 10.269 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.884 4.796 8.534 1.00 0.00 H new ATOM 293 N LEU A 20 -7.241 2.465 5.224 1.00 0.00 N ATOM 294 CA LEU A 20 -7.092 1.901 3.902 1.00 0.00 C ATOM 295 C LEU A 20 -7.018 0.400 4.002 1.00 0.00 C ATOM 296 O LEU A 20 -6.739 -0.151 5.071 1.00 0.00 O ATOM 297 CB LEU A 20 -5.843 2.444 3.196 1.00 0.00 C ATOM 298 CG LEU A 20 -6.079 3.576 2.185 1.00 0.00 C ATOM 299 CD1 LEU A 20 -7.154 3.186 1.182 1.00 0.00 C ATOM 300 CD2 LEU A 20 -6.446 4.867 2.886 1.00 0.00 C ATOM 0 H LEU A 20 -6.564 2.120 5.904 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.959 2.189 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.147 2.801 3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.354 1.618 2.679 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.147 3.741 1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.305 4.002 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.841 2.292 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.087 2.984 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.607 5.650 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.359 4.721 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.637 5.161 3.554 1.00 0.00 H new ATOM 312 N LYS A 21 -7.292 -0.270 2.918 1.00 0.00 N ATOM 313 CA LYS A 21 -7.253 -1.707 2.886 1.00 0.00 C ATOM 314 C LYS A 21 -6.533 -2.177 1.660 1.00 0.00 C ATOM 315 O LYS A 21 -6.591 -1.546 0.611 1.00 0.00 O ATOM 316 CB LYS A 21 -8.662 -2.269 2.896 1.00 0.00 C ATOM 317 CG LYS A 21 -9.435 -1.926 4.138 1.00 0.00 C ATOM 318 CD LYS A 21 -10.920 -2.186 3.973 1.00 0.00 C ATOM 319 CE LYS A 21 -11.231 -3.661 3.793 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.697 -3.900 3.691 1.00 0.00 N ATOM 0 H LYS A 21 -7.549 0.164 2.031 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.721 -2.060 3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.201 -1.893 2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.613 -3.353 2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.055 -2.512 4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.276 -0.876 4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.452 -1.809 4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.290 -1.631 3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.737 -4.031 2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.827 -4.225 4.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.875 -4.917 3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.164 -3.569 4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.077 -3.381 2.874 1.00 0.00 H new ATOM 334 N VAL A 22 -5.856 -3.278 1.778 1.00 0.00 N ATOM 335 CA VAL A 22 -5.141 -3.841 0.656 1.00 0.00 C ATOM 336 C VAL A 22 -5.521 -5.290 0.464 1.00 0.00 C ATOM 337 O VAL A 22 -5.297 -6.131 1.342 1.00 0.00 O ATOM 338 CB VAL A 22 -3.608 -3.723 0.814 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.912 -4.447 -0.311 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.179 -2.269 0.833 1.00 0.00 C ATOM 0 H VAL A 22 -5.779 -3.813 2.643 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.428 -3.264 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.327 -4.180 1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.833 -4.357 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.192 -5.500 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.207 -4.008 -1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.096 -2.211 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.474 -1.791 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.658 -1.759 1.669 1.00 0.00 H new ATOM 350 N ALA A 23 -6.114 -5.580 -0.671 1.00 0.00 N ATOM 351 CA ALA A 23 -6.517 -6.918 -1.000 1.00 0.00 C ATOM 352 C ALA A 23 -5.406 -7.612 -1.739 1.00 0.00 C ATOM 353 O ALA A 23 -4.985 -7.180 -2.813 1.00 0.00 O ATOM 354 CB ALA A 23 -7.786 -6.911 -1.831 1.00 0.00 C ATOM 0 H ALA A 23 -6.329 -4.890 -1.390 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.725 -7.459 -0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.071 -7.936 -2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.587 -6.432 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.613 -6.360 -2.755 1.00 0.00 H new ATOM 360 N GLY A 24 -4.928 -8.682 -1.179 1.00 0.00 N ATOM 361 CA GLY A 24 -3.860 -9.397 -1.785 1.00 0.00 C ATOM 362 C GLY A 24 -4.373 -10.418 -2.756 1.00 0.00 C ATOM 363 O GLY A 24 -5.544 -10.798 -2.709 1.00 0.00 O ATOM 0 H GLY A 24 -5.266 -9.075 -0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.199 -8.700 -2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.266 -9.890 -1.015 1.00 0.00 H new ATOM 367 N GLN A 25 -3.511 -10.882 -3.628 1.00 0.00 N ATOM 368 CA GLN A 25 -3.879 -11.900 -4.605 1.00 0.00 C ATOM 369 C GLN A 25 -4.208 -13.223 -3.906 1.00 0.00 C ATOM 370 O GLN A 25 -4.825 -14.123 -4.479 1.00 0.00 O ATOM 371 CB GLN A 25 -2.774 -12.083 -5.661 1.00 0.00 C ATOM 372 CG GLN A 25 -1.330 -11.998 -5.139 1.00 0.00 C ATOM 373 CD GLN A 25 -1.077 -12.779 -3.855 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.153 -12.225 -2.756 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.815 -14.058 -3.979 1.00 0.00 N ATOM 0 H GLN A 25 -2.541 -10.573 -3.688 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.775 -11.563 -5.127 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.911 -13.053 -6.139 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.906 -11.325 -6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.655 -12.365 -5.912 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.079 -10.951 -4.968 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.760 -14.480 -4.906 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.666 -14.631 -3.148 1.00 0.00 H new ATOM 384 N ASP A 26 -3.787 -13.320 -2.652 1.00 0.00 N ATOM 385 CA ASP A 26 -4.056 -14.472 -1.805 1.00 0.00 C ATOM 386 C ASP A 26 -5.545 -14.546 -1.474 1.00 0.00 C ATOM 387 O ASP A 26 -6.071 -15.593 -1.100 1.00 0.00 O ATOM 388 CB ASP A 26 -3.223 -14.352 -0.520 1.00 0.00 C ATOM 389 CG ASP A 26 -3.544 -15.417 0.504 1.00 0.00 C ATOM 390 OD1 ASP A 26 -3.138 -16.577 0.311 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.182 -15.090 1.522 1.00 0.00 O ATOM 0 H ASP A 26 -3.243 -12.592 -2.190 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.780 -15.387 -2.330 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.165 -14.410 -0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.391 -13.370 -0.077 1.00 0.00 H new ATOM 396 N GLY A 27 -6.224 -13.422 -1.635 1.00 0.00 N ATOM 397 CA GLY A 27 -7.651 -13.359 -1.361 1.00 0.00 C ATOM 398 C GLY A 27 -7.948 -12.773 0.004 1.00 0.00 C ATOM 399 O GLY A 27 -9.096 -12.757 0.457 1.00 0.00 O ATOM 0 H GLY A 27 -5.813 -12.544 -1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.140 -12.757 -2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.076 -14.361 -1.424 1.00 0.00 H new ATOM 403 N SER A 28 -6.926 -12.271 0.655 1.00 0.00 N ATOM 404 CA SER A 28 -7.062 -11.706 1.969 1.00 0.00 C ATOM 405 C SER A 28 -6.916 -10.211 1.878 1.00 0.00 C ATOM 406 O SER A 28 -6.449 -9.685 0.866 1.00 0.00 O ATOM 407 CB SER A 28 -6.005 -12.291 2.912 1.00 0.00 C ATOM 408 OG SER A 28 -6.199 -11.851 4.246 1.00 0.00 O ATOM 0 H SER A 28 -5.976 -12.244 0.284 1.00 0.00 H new ATOM 0 HA SER A 28 -8.046 -11.950 2.370 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.047 -13.380 2.877 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.011 -11.999 2.572 1.00 0.00 H new ATOM 0 HG SER A 28 -5.510 -12.243 4.823 1.00 0.00 H new ATOM 414 N VAL A 29 -7.305 -9.518 2.910 1.00 0.00 N ATOM 415 CA VAL A 29 -7.226 -8.087 2.910 1.00 0.00 C ATOM 416 C VAL A 29 -6.754 -7.575 4.263 1.00 0.00 C ATOM 417 O VAL A 29 -7.132 -8.100 5.314 1.00 0.00 O ATOM 418 CB VAL A 29 -8.592 -7.447 2.538 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.633 -7.698 3.620 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.446 -5.956 2.270 1.00 0.00 C ATOM 0 H VAL A 29 -7.682 -9.924 3.766 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.498 -7.795 2.153 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.937 -7.924 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.578 -7.238 3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.776 -8.771 3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.292 -7.265 4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.418 -5.536 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.062 -5.462 3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.753 -5.801 1.443 1.00 0.00 H new ATOM 430 N VAL A 30 -5.904 -6.582 4.245 1.00 0.00 N ATOM 431 CA VAL A 30 -5.418 -5.985 5.464 1.00 0.00 C ATOM 432 C VAL A 30 -6.065 -4.621 5.664 1.00 0.00 C ATOM 433 O VAL A 30 -6.264 -3.873 4.708 1.00 0.00 O ATOM 434 CB VAL A 30 -3.871 -5.841 5.452 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.412 -4.948 4.311 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.362 -5.316 6.786 1.00 0.00 C ATOM 0 H VAL A 30 -5.530 -6.166 3.392 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.686 -6.643 6.291 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.447 -6.833 5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.325 -4.866 4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.729 -5.379 3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.853 -3.957 4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.276 -5.225 6.751 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.802 -4.339 6.984 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.642 -6.008 7.580 1.00 0.00 H new ATOM 446 N GLN A 31 -6.429 -4.310 6.893 1.00 0.00 N ATOM 447 CA GLN A 31 -7.027 -3.038 7.213 1.00 0.00 C ATOM 448 C GLN A 31 -6.073 -2.247 8.093 1.00 0.00 C ATOM 449 O GLN A 31 -5.634 -2.721 9.141 1.00 0.00 O ATOM 450 CB GLN A 31 -8.340 -3.268 7.913 1.00 0.00 C ATOM 451 CG GLN A 31 -9.176 -4.334 7.227 1.00 0.00 C ATOM 452 CD GLN A 31 -10.511 -4.530 7.859 1.00 0.00 C ATOM 453 OE1 GLN A 31 -10.676 -5.364 8.750 1.00 0.00 O ATOM 454 NE2 GLN A 31 -11.473 -3.766 7.416 1.00 0.00 N ATOM 0 H GLN A 31 -6.317 -4.933 7.693 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.216 -2.468 6.303 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.153 -3.564 8.945 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.901 -2.334 7.946 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.313 -4.061 6.181 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.632 -5.278 7.242 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.287 -3.089 6.676 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.410 -3.846 7.810 1.00 0.00 H new ATOM 463 N PHE A 32 -5.750 -1.060 7.666 1.00 0.00 N ATOM 464 CA PHE A 32 -4.759 -0.233 8.341 1.00 0.00 C ATOM 465 C PHE A 32 -5.094 1.241 8.208 1.00 0.00 C ATOM 466 O PHE A 32 -5.953 1.621 7.425 1.00 0.00 O ATOM 467 CB PHE A 32 -3.362 -0.508 7.765 1.00 0.00 C ATOM 468 CG PHE A 32 -3.292 -0.369 6.266 1.00 0.00 C ATOM 469 CD1 PHE A 32 -3.872 -1.322 5.439 1.00 0.00 C ATOM 470 CD2 PHE A 32 -2.669 0.717 5.682 1.00 0.00 C ATOM 471 CE1 PHE A 32 -3.830 -1.192 4.075 1.00 0.00 C ATOM 472 CE2 PHE A 32 -2.624 0.851 4.320 1.00 0.00 C ATOM 473 CZ PHE A 32 -3.206 -0.103 3.513 1.00 0.00 C ATOM 0 H PHE A 32 -6.161 -0.626 6.839 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.769 -0.490 9.400 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.649 0.179 8.219 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.055 -1.516 8.043 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.363 -2.178 5.877 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.212 1.470 6.307 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.285 -1.942 3.444 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.132 1.705 3.878 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.172 0.005 2.439 1.00 0.00 H new ATOM 483 N LYS A 33 -4.420 2.069 8.977 1.00 0.00 N ATOM 484 CA LYS A 33 -4.671 3.497 8.944 1.00 0.00 C ATOM 485 C LYS A 33 -3.454 4.259 8.418 1.00 0.00 C ATOM 486 O LYS A 33 -2.317 3.946 8.757 1.00 0.00 O ATOM 487 CB LYS A 33 -5.079 4.001 10.328 1.00 0.00 C ATOM 488 CG LYS A 33 -6.176 3.169 10.967 1.00 0.00 C ATOM 489 CD LYS A 33 -6.914 3.930 12.062 1.00 0.00 C ATOM 490 CE LYS A 33 -6.012 4.255 13.240 1.00 0.00 C ATOM 491 NZ LYS A 33 -6.780 4.811 14.379 1.00 0.00 N ATOM 0 H LYS A 33 -3.694 1.780 9.633 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.497 3.681 8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.205 4.001 10.980 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.416 5.034 10.247 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.887 2.858 10.201 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.743 2.261 11.387 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.319 4.854 11.650 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.761 3.337 12.407 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.490 3.353 13.559 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.251 4.971 12.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.132 5.021 15.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.258 5.685 14.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.489 4.117 14.691 1.00 0.00 H new ATOM 505 N ILE A 34 -3.699 5.257 7.576 1.00 0.00 N ATOM 506 CA ILE A 34 -2.631 6.051 6.980 1.00 0.00 C ATOM 507 C ILE A 34 -3.066 7.519 6.833 1.00 0.00 C ATOM 508 O ILE A 34 -4.255 7.817 6.655 1.00 0.00 O ATOM 509 CB ILE A 34 -2.210 5.472 5.594 1.00 0.00 C ATOM 510 CG1 ILE A 34 -1.085 6.307 4.967 1.00 0.00 C ATOM 511 CG2 ILE A 34 -3.408 5.391 4.659 1.00 0.00 C ATOM 512 CD1 ILE A 34 -0.543 5.738 3.672 1.00 0.00 C ATOM 0 H ILE A 34 -4.637 5.537 7.289 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.769 6.006 7.645 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.830 4.462 5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.455 7.315 4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.268 6.394 5.684 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.093 4.985 3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.167 4.742 5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.823 6.388 4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.248 6.385 3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.141 4.741 3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.346 5.677 2.937 1.00 0.00 H new ATOM 524 N LYS A 35 -2.113 8.442 6.932 1.00 0.00 N ATOM 525 CA LYS A 35 -2.415 9.866 6.822 1.00 0.00 C ATOM 526 C LYS A 35 -2.533 10.275 5.371 1.00 0.00 C ATOM 527 O LYS A 35 -1.951 9.652 4.491 1.00 0.00 O ATOM 528 CB LYS A 35 -1.346 10.711 7.514 1.00 0.00 C ATOM 529 CG LYS A 35 -0.980 10.207 8.897 1.00 0.00 C ATOM 530 CD LYS A 35 -0.399 11.310 9.797 1.00 0.00 C ATOM 531 CE LYS A 35 1.083 11.586 9.520 1.00 0.00 C ATOM 532 NZ LYS A 35 1.314 12.222 8.201 1.00 0.00 N ATOM 0 H LYS A 35 -1.128 8.230 7.088 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.369 10.041 7.319 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.450 10.729 6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.700 11.739 7.592 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.866 9.786 9.372 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.254 9.399 8.804 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.968 12.228 9.651 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.521 11.022 10.841 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.480 12.231 10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.637 10.649 9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.085 12.915 8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.573 11.494 7.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.446 12.704 7.891 1.00 0.00 H new ATOM 546 N ARG A 36 -3.275 11.337 5.121 1.00 0.00 N ATOM 547 CA ARG A 36 -3.500 11.821 3.764 1.00 0.00 C ATOM 548 C ARG A 36 -2.197 12.332 3.154 1.00 0.00 C ATOM 549 O ARG A 36 -1.928 12.137 1.971 1.00 0.00 O ATOM 550 CB ARG A 36 -4.548 12.947 3.754 1.00 0.00 C ATOM 551 CG ARG A 36 -5.742 12.724 4.680 1.00 0.00 C ATOM 552 CD ARG A 36 -6.396 11.361 4.473 1.00 0.00 C ATOM 553 NE ARG A 36 -6.879 11.154 3.101 1.00 0.00 N ATOM 554 CZ ARG A 36 -8.145 11.373 2.701 1.00 0.00 C ATOM 555 NH1 ARG A 36 -9.023 11.929 3.526 1.00 0.00 N ATOM 556 NH2 ARG A 36 -8.520 11.053 1.465 1.00 0.00 N ATOM 0 H ARG A 36 -3.738 11.888 5.844 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.871 10.987 3.168 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.059 13.880 4.034 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.915 13.072 2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.416 12.813 5.716 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.481 13.507 4.510 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.678 10.579 4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.232 11.257 5.165 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.210 10.822 2.406 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.740 12.193 4.470 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.981 12.092 3.217 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.847 10.641 0.819 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.480 11.220 1.164 1.00 0.00 H new ATOM 570 N HIS A 37 -1.381 12.973 3.981 1.00 0.00 N ATOM 571 CA HIS A 37 -0.109 13.540 3.538 1.00 0.00 C ATOM 572 C HIS A 37 1.020 12.511 3.690 1.00 0.00 C ATOM 573 O HIS A 37 2.197 12.811 3.490 1.00 0.00 O ATOM 574 CB HIS A 37 0.203 14.801 4.362 1.00 0.00 C ATOM 575 CG HIS A 37 1.341 15.631 3.833 1.00 0.00 C ATOM 576 ND1 HIS A 37 2.583 15.678 4.429 1.00 0.00 N ATOM 577 CD2 HIS A 37 1.412 16.456 2.765 1.00 0.00 C ATOM 578 CE1 HIS A 37 3.364 16.493 3.749 1.00 0.00 C ATOM 579 NE2 HIS A 37 2.680 16.978 2.736 1.00 0.00 N ATOM 0 H HIS A 37 -1.578 13.115 4.972 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.185 13.808 2.484 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.692 15.421 4.405 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.433 14.503 5.385 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.617 16.665 2.064 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.393 16.724 3.984 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.035 17.636 2.042 1.00 0.00 H new ATOM 588 N THR A 38 0.653 11.297 4.041 1.00 0.00 N ATOM 589 CA THR A 38 1.612 10.236 4.237 1.00 0.00 C ATOM 590 C THR A 38 1.769 9.400 2.966 1.00 0.00 C ATOM 591 O THR A 38 0.782 8.996 2.361 1.00 0.00 O ATOM 592 CB THR A 38 1.215 9.340 5.433 1.00 0.00 C ATOM 593 OG1 THR A 38 1.450 10.049 6.649 1.00 0.00 O ATOM 594 CG2 THR A 38 2.008 8.045 5.441 1.00 0.00 C ATOM 0 H THR A 38 -0.316 11.020 4.198 1.00 0.00 H new ATOM 0 HA THR A 38 2.574 10.696 4.464 1.00 0.00 H new ATOM 0 HB THR A 38 0.158 9.090 5.339 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.510 9.413 7.392 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.705 7.438 6.294 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.817 7.496 4.519 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.072 8.270 5.516 1.00 0.00 H new ATOM 602 N PRO A 39 3.016 9.148 2.546 1.00 0.00 N ATOM 603 CA PRO A 39 3.305 8.370 1.338 1.00 0.00 C ATOM 604 C PRO A 39 2.874 6.906 1.452 1.00 0.00 C ATOM 605 O PRO A 39 2.876 6.314 2.541 1.00 0.00 O ATOM 606 CB PRO A 39 4.829 8.459 1.207 1.00 0.00 C ATOM 607 CG PRO A 39 5.311 8.767 2.579 1.00 0.00 C ATOM 608 CD PRO A 39 4.248 9.609 3.211 1.00 0.00 C ATOM 0 HA PRO A 39 2.760 8.759 0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.250 7.523 0.841 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.121 9.237 0.501 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.475 7.853 3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.262 9.298 2.548 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.204 9.459 4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.423 10.672 3.043 1.00 0.00 H new ATOM 616 N LEU A 40 2.519 6.320 0.319 1.00 0.00 N ATOM 617 CA LEU A 40 2.097 4.923 0.232 1.00 0.00 C ATOM 618 C LEU A 40 3.221 3.959 0.600 1.00 0.00 C ATOM 619 O LEU A 40 2.993 2.768 0.757 1.00 0.00 O ATOM 620 CB LEU A 40 1.591 4.614 -1.177 1.00 0.00 C ATOM 621 CG LEU A 40 0.329 5.358 -1.600 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.095 5.209 -3.086 1.00 0.00 C ATOM 623 CD2 LEU A 40 -0.876 4.864 -0.827 1.00 0.00 C ATOM 0 H LEU A 40 2.514 6.804 -0.579 1.00 0.00 H new ATOM 0 HA LEU A 40 1.291 4.782 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.384 4.846 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.402 3.543 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 40 0.471 6.415 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.810 5.747 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.945 5.619 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.019 4.153 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.763 5.411 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.018 3.800 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.716 5.026 0.239 1.00 0.00 H new ATOM 635 N SER A 41 4.443 4.470 0.697 1.00 0.00 N ATOM 636 CA SER A 41 5.601 3.655 1.054 1.00 0.00 C ATOM 637 C SER A 41 5.336 2.863 2.341 1.00 0.00 C ATOM 638 O SER A 41 5.583 1.650 2.404 1.00 0.00 O ATOM 639 CB SER A 41 6.845 4.542 1.210 1.00 0.00 C ATOM 640 OG SER A 41 8.033 3.769 1.209 1.00 0.00 O ATOM 0 H SER A 41 4.659 5.453 0.532 1.00 0.00 H new ATOM 0 HA SER A 41 5.781 2.940 0.251 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.881 5.268 0.398 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.777 5.107 2.140 1.00 0.00 H new ATOM 0 HG SER A 41 8.278 3.546 0.287 1.00 0.00 H new ATOM 672 N LEU A 43 2.388 2.272 3.541 1.00 0.00 N ATOM 673 CA LEU A 43 1.236 1.430 3.218 1.00 0.00 C ATOM 674 C LEU A 43 1.698 0.116 2.601 1.00 0.00 C ATOM 675 O LEU A 43 1.273 -0.968 3.014 1.00 0.00 O ATOM 676 CB LEU A 43 0.275 2.195 2.270 1.00 0.00 C ATOM 677 CG LEU A 43 -0.812 1.366 1.556 1.00 0.00 C ATOM 678 CD1 LEU A 43 -2.003 2.237 1.216 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.266 0.756 0.274 1.00 0.00 C ATOM 0 HA LEU A 43 0.694 1.193 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.220 2.976 2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.876 2.693 1.509 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.122 0.570 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.761 1.637 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.421 2.656 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.686 3.047 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.048 0.175 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.067 1.550 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.575 0.105 0.511 1.00 0.00 H new ATOM 691 N MET A 44 2.580 0.216 1.609 1.00 0.00 N ATOM 692 CA MET A 44 3.134 -0.951 0.949 1.00 0.00 C ATOM 693 C MET A 44 3.840 -1.827 1.952 1.00 0.00 C ATOM 694 O MET A 44 3.598 -3.030 2.023 1.00 0.00 O ATOM 695 CB MET A 44 4.105 -0.535 -0.159 1.00 0.00 C ATOM 696 CG MET A 44 3.442 -0.251 -1.496 1.00 0.00 C ATOM 697 SD MET A 44 4.522 0.618 -2.641 1.00 0.00 S ATOM 698 CE MET A 44 3.425 0.823 -4.039 1.00 0.00 C ATOM 0 H MET A 44 2.925 1.105 1.246 1.00 0.00 H new ATOM 0 HA MET A 44 2.316 -1.513 0.499 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.645 0.356 0.162 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.844 -1.324 -0.294 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.125 -1.192 -1.946 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.543 0.342 -1.331 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.943 1.363 -4.831 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.119 -0.156 -4.408 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.544 1.387 -3.731 1.00 0.00 H new ATOM 708 N LYS A 45 4.701 -1.217 2.753 1.00 0.00 N ATOM 709 CA LYS A 45 5.449 -1.938 3.763 1.00 0.00 C ATOM 710 C LYS A 45 4.509 -2.611 4.761 1.00 0.00 C ATOM 711 O LYS A 45 4.689 -3.769 5.096 1.00 0.00 O ATOM 712 CB LYS A 45 6.423 -0.994 4.484 1.00 0.00 C ATOM 713 CG LYS A 45 7.219 -1.646 5.613 1.00 0.00 C ATOM 714 CD LYS A 45 8.071 -2.815 5.126 1.00 0.00 C ATOM 715 CE LYS A 45 9.198 -2.356 4.212 1.00 0.00 C ATOM 716 NZ LYS A 45 10.142 -3.453 3.894 1.00 0.00 N ATOM 0 H LYS A 45 4.897 -0.217 2.719 1.00 0.00 H new ATOM 0 HA LYS A 45 6.027 -2.718 3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.121 -0.586 3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.860 -0.154 4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.863 -0.899 6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.532 -1.997 6.383 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.491 -3.340 5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.440 -3.527 4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.776 -1.962 3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.740 -1.539 4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.893 -3.095 3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.565 -3.812 4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.632 -4.223 3.416 1.00 0.00 H new ATOM 730 N ALA A 46 3.471 -1.893 5.184 1.00 0.00 N ATOM 731 CA ALA A 46 2.521 -2.414 6.166 1.00 0.00 C ATOM 732 C ALA A 46 1.910 -3.726 5.690 1.00 0.00 C ATOM 733 O ALA A 46 1.902 -4.724 6.415 1.00 0.00 O ATOM 734 CB ALA A 46 1.432 -1.394 6.451 1.00 0.00 C ATOM 0 H ALA A 46 3.266 -0.947 4.862 1.00 0.00 H new ATOM 0 HA ALA A 46 3.065 -2.607 7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.735 -1.801 7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.881 -0.482 6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.897 -1.166 5.529 1.00 0.00 H new ATOM 740 N TYR A 47 1.416 -3.738 4.459 1.00 0.00 N ATOM 741 CA TYR A 47 0.829 -4.937 3.888 1.00 0.00 C ATOM 742 C TYR A 47 1.875 -6.042 3.742 1.00 0.00 C ATOM 743 O TYR A 47 1.609 -7.222 4.023 1.00 0.00 O ATOM 744 CB TYR A 47 0.198 -4.631 2.523 1.00 0.00 C ATOM 745 CG TYR A 47 -0.124 -5.870 1.711 1.00 0.00 C ATOM 746 CD1 TYR A 47 -1.304 -6.564 1.908 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.764 -6.344 0.751 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.599 -7.693 1.176 1.00 0.00 C ATOM 749 CE2 TYR A 47 0.478 -7.472 0.013 1.00 0.00 C ATOM 750 CZ TYR A 47 -0.706 -8.145 0.227 1.00 0.00 C ATOM 751 OH TYR A 47 -0.995 -9.273 -0.507 1.00 0.00 O ATOM 0 H TYR A 47 1.411 -2.929 3.838 1.00 0.00 H new ATOM 0 HA TYR A 47 0.051 -5.284 4.568 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.717 -4.059 2.675 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.878 -3.999 1.952 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.007 -6.214 2.649 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.693 -5.819 0.581 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.525 -8.222 1.344 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.178 -7.827 -0.729 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.262 -9.453 -1.132 1.00 0.00 H new ATOM 761 N CYS A 48 3.066 -5.656 3.313 1.00 0.00 N ATOM 762 CA CYS A 48 4.152 -6.602 3.078 1.00 0.00 C ATOM 763 C CYS A 48 4.580 -7.291 4.365 1.00 0.00 C ATOM 764 O CYS A 48 4.970 -8.465 4.364 1.00 0.00 O ATOM 765 CB CYS A 48 5.332 -5.905 2.420 1.00 0.00 C ATOM 766 SG CYS A 48 4.949 -5.207 0.809 1.00 0.00 S ATOM 0 H CYS A 48 3.309 -4.685 3.118 1.00 0.00 H new ATOM 0 HA CYS A 48 3.783 -7.373 2.401 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.686 -5.110 3.076 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.150 -6.617 2.313 1.00 0.00 H new ATOM 0 HG CYS A 48 4.275 -4.106 0.962 1.00 0.00 H new ATOM 772 N GLU A 49 4.509 -6.570 5.460 1.00 0.00 N ATOM 773 CA GLU A 49 4.856 -7.112 6.756 1.00 0.00 C ATOM 774 C GLU A 49 3.795 -8.101 7.212 1.00 0.00 C ATOM 775 O GLU A 49 4.102 -9.161 7.749 1.00 0.00 O ATOM 776 CB GLU A 49 4.980 -5.986 7.768 1.00 0.00 C ATOM 777 CG GLU A 49 6.006 -4.949 7.377 1.00 0.00 C ATOM 778 CD GLU A 49 7.419 -5.473 7.433 1.00 0.00 C ATOM 779 OE1 GLU A 49 8.024 -5.447 8.518 1.00 0.00 O ATOM 780 OE2 GLU A 49 7.936 -5.920 6.385 1.00 0.00 O ATOM 0 H GLU A 49 4.210 -5.595 5.479 1.00 0.00 H new ATOM 0 HA GLU A 49 5.811 -7.631 6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.010 -5.503 7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.247 -6.405 8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.794 -4.598 6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.916 -4.088 8.040 1.00 0.00 H new ATOM 787 N ARG A 50 2.540 -7.753 6.971 1.00 0.00 N ATOM 788 CA ARG A 50 1.409 -8.588 7.365 1.00 0.00 C ATOM 789 C ARG A 50 1.385 -9.897 6.597 1.00 0.00 C ATOM 790 O ARG A 50 1.214 -10.966 7.171 1.00 0.00 O ATOM 791 CB ARG A 50 0.100 -7.838 7.138 1.00 0.00 C ATOM 792 CG ARG A 50 -0.020 -6.567 7.952 1.00 0.00 C ATOM 793 CD ARG A 50 -0.036 -6.861 9.444 1.00 0.00 C ATOM 794 NE ARG A 50 -1.260 -7.559 9.853 1.00 0.00 N ATOM 795 CZ ARG A 50 -1.315 -8.844 10.221 1.00 0.00 C ATOM 796 NH1 ARG A 50 -0.207 -9.580 10.273 1.00 0.00 N ATOM 797 NH2 ARG A 50 -2.475 -9.383 10.552 1.00 0.00 N ATOM 0 H ARG A 50 2.275 -6.888 6.499 1.00 0.00 H new ATOM 0 HA ARG A 50 1.523 -8.818 8.424 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.011 -7.592 6.080 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.733 -8.496 7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.814 -5.905 7.719 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.933 -6.040 7.674 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.831 -7.468 9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.051 -5.927 9.999 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.130 -7.027 9.857 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.693 -9.165 10.031 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.258 -10.559 10.555 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.325 -8.820 10.526 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.521 -10.362 10.833 1.00 0.00 H new ATOM 811 N GLN A 51 1.563 -9.812 5.296 1.00 0.00 N ATOM 812 CA GLN A 51 1.517 -10.995 4.445 1.00 0.00 C ATOM 813 C GLN A 51 2.828 -11.763 4.490 1.00 0.00 C ATOM 814 O GLN A 51 2.872 -12.963 4.205 1.00 0.00 O ATOM 815 CB GLN A 51 1.192 -10.603 3.005 1.00 0.00 C ATOM 816 CG GLN A 51 -0.150 -11.122 2.505 1.00 0.00 C ATOM 817 CD GLN A 51 -1.332 -10.623 3.322 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.206 -9.435 3.894 1.00 0.00 O flip ATOM 819 NE2 GLN A 51 -2.348 -11.300 3.433 1.00 0.00 N flip ATOM 0 H GLN A 51 1.741 -8.939 4.799 1.00 0.00 H new ATOM 0 HA GLN A 51 0.730 -11.645 4.826 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.201 -9.516 2.925 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.980 -10.977 2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.283 -10.822 1.466 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.139 -12.212 2.523 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.406 -12.210 2.977 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.135 -10.953 3.981 1.00 0.00 H new ATOM 828 N GLY A 52 3.899 -11.084 4.865 1.00 0.00 N ATOM 829 CA GLY A 52 5.188 -11.733 4.916 1.00 0.00 C ATOM 830 C GLY A 52 5.780 -11.914 3.536 1.00 0.00 C ATOM 831 O GLY A 52 6.067 -13.031 3.111 1.00 0.00 O ATOM 0 H GLY A 52 3.899 -10.100 5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.869 -11.142 5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.087 -12.705 5.399 1.00 0.00 H new ATOM 835 N LEU A 53 5.961 -10.819 2.829 1.00 0.00 N ATOM 836 CA LEU A 53 6.473 -10.860 1.470 1.00 0.00 C ATOM 837 C LEU A 53 7.312 -9.627 1.166 1.00 0.00 C ATOM 838 O LEU A 53 7.443 -8.728 2.004 1.00 0.00 O ATOM 839 CB LEU A 53 5.330 -11.047 0.442 1.00 0.00 C ATOM 840 CG LEU A 53 4.092 -10.157 0.614 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.392 -8.726 0.230 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.931 -10.698 -0.208 1.00 0.00 C ATOM 0 H LEU A 53 5.760 -9.880 3.174 1.00 0.00 H new ATOM 0 HA LEU A 53 7.126 -11.729 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.737 -10.874 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.008 -12.088 0.478 1.00 0.00 H new ATOM 0 HG LEU A 53 3.810 -10.170 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.497 -8.119 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.190 -8.339 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.706 -8.687 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.061 -10.056 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.210 -10.718 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.690 -11.708 0.123 1.00 0.00 H new ATOM 854 N SER A 54 7.896 -9.590 -0.010 1.00 0.00 N ATOM 855 CA SER A 54 8.719 -8.473 -0.431 1.00 0.00 C ATOM 856 C SER A 54 7.902 -7.476 -1.257 1.00 0.00 C ATOM 857 O SER A 54 7.221 -7.857 -2.209 1.00 0.00 O ATOM 858 CB SER A 54 9.892 -8.993 -1.251 1.00 0.00 C ATOM 859 OG SER A 54 10.709 -9.855 -0.480 1.00 0.00 O ATOM 0 H SER A 54 7.815 -10.333 -0.704 1.00 0.00 H new ATOM 0 HA SER A 54 9.091 -7.956 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.520 -9.525 -2.126 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.485 -8.154 -1.616 1.00 0.00 H new ATOM 0 HG SER A 54 11.454 -10.177 -1.029 1.00 0.00 H new ATOM 865 N MET A 55 7.987 -6.188 -0.901 1.00 0.00 N ATOM 866 CA MET A 55 7.252 -5.132 -1.623 1.00 0.00 C ATOM 867 C MET A 55 7.729 -4.993 -3.064 1.00 0.00 C ATOM 868 O MET A 55 7.015 -4.483 -3.921 1.00 0.00 O ATOM 869 CB MET A 55 7.346 -3.770 -0.899 1.00 0.00 C ATOM 870 CG MET A 55 8.742 -3.393 -0.420 1.00 0.00 C ATOM 871 SD MET A 55 8.969 -1.610 -0.243 1.00 0.00 S ATOM 872 CE MET A 55 7.612 -1.186 0.837 1.00 0.00 C ATOM 0 H MET A 55 8.553 -5.849 -0.123 1.00 0.00 H new ATOM 0 HA MET A 55 6.206 -5.440 -1.638 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.986 -2.992 -1.572 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.675 -3.784 -0.040 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.934 -3.875 0.539 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.479 -3.779 -1.124 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.969 -0.528 1.629 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.837 -0.676 0.265 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.200 -2.094 1.277 1.00 0.00 H new ATOM 882 N ARG A 56 8.934 -5.456 -3.335 1.00 0.00 N ATOM 883 CA ARG A 56 9.494 -5.386 -4.676 1.00 0.00 C ATOM 884 C ARG A 56 9.013 -6.551 -5.539 1.00 0.00 C ATOM 885 O ARG A 56 9.294 -6.614 -6.732 1.00 0.00 O ATOM 886 CB ARG A 56 11.018 -5.377 -4.614 1.00 0.00 C ATOM 887 CG ARG A 56 11.627 -6.631 -4.015 1.00 0.00 C ATOM 888 CD ARG A 56 13.139 -6.566 -4.040 1.00 0.00 C ATOM 889 NE ARG A 56 13.657 -5.441 -3.257 1.00 0.00 N ATOM 890 CZ ARG A 56 14.930 -5.043 -3.265 1.00 0.00 C ATOM 891 NH1 ARG A 56 15.818 -5.663 -4.032 1.00 0.00 N ATOM 892 NH2 ARG A 56 15.308 -4.019 -2.508 1.00 0.00 N ATOM 0 H ARG A 56 9.548 -5.887 -2.644 1.00 0.00 H new ATOM 0 HA ARG A 56 9.149 -4.459 -5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.410 -5.243 -5.622 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.341 -4.516 -4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.282 -6.752 -2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.288 -7.505 -4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.548 -7.498 -3.649 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.480 -6.477 -5.071 1.00 0.00 H new ATOM 0 HE ARG A 56 13.001 -4.929 -2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 56 15.528 -6.446 -4.618 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.791 -5.356 -4.036 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.625 -3.539 -1.922 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.281 -3.713 -2.513 1.00 0.00 H new ATOM 906 N GLN A 57 8.306 -7.487 -4.928 1.00 0.00 N ATOM 907 CA GLN A 57 7.803 -8.659 -5.639 1.00 0.00 C ATOM 908 C GLN A 57 6.306 -8.555 -5.853 1.00 0.00 C ATOM 909 O GLN A 57 5.660 -9.491 -6.323 1.00 0.00 O ATOM 910 CB GLN A 57 8.123 -9.922 -4.847 1.00 0.00 C ATOM 911 CG GLN A 57 9.594 -10.079 -4.536 1.00 0.00 C ATOM 912 CD GLN A 57 10.432 -10.381 -5.762 1.00 0.00 C ATOM 913 OE1 GLN A 57 10.867 -9.340 -6.448 1.00 0.00 O flip ATOM 914 NE2 GLN A 57 10.670 -11.540 -6.102 1.00 0.00 N flip ATOM 0 H GLN A 57 8.065 -7.461 -3.937 1.00 0.00 H new ATOM 0 HA GLN A 57 8.291 -8.707 -6.613 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.561 -9.908 -3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.784 -10.791 -5.411 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.960 -9.165 -4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.722 -10.881 -3.809 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.316 -12.318 -5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.221 -11.723 -6.941 1.00 0.00 H new ATOM 923 N ILE A 58 5.749 -7.414 -5.512 1.00 0.00 N ATOM 924 CA ILE A 58 4.327 -7.199 -5.645 1.00 0.00 C ATOM 925 C ILE A 58 4.047 -5.833 -6.226 1.00 0.00 C ATOM 926 O ILE A 58 4.945 -5.004 -6.359 1.00 0.00 O ATOM 927 CB ILE A 58 3.592 -7.332 -4.293 1.00 0.00 C ATOM 928 CG1 ILE A 58 4.225 -6.426 -3.253 1.00 0.00 C ATOM 929 CG2 ILE A 58 3.606 -8.767 -3.813 1.00 0.00 C ATOM 930 CD1 ILE A 58 3.406 -6.301 -1.995 1.00 0.00 C ATOM 0 H ILE A 58 6.264 -6.617 -5.138 1.00 0.00 H new ATOM 0 HA ILE A 58 3.954 -7.971 -6.318 1.00 0.00 H new ATOM 0 HB ILE A 58 2.556 -7.027 -4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.213 -6.811 -2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.370 -5.435 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.083 -8.837 -2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.109 -9.401 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.637 -9.098 -3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.915 -5.640 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.427 -5.888 -2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.283 -7.285 -1.542 1.00 0.00 H new ATOM 942 N ARG A 59 2.802 -5.594 -6.573 1.00 0.00 N ATOM 943 CA ARG A 59 2.395 -4.330 -7.142 1.00 0.00 C ATOM 944 C ARG A 59 1.046 -3.914 -6.617 1.00 0.00 C ATOM 945 O ARG A 59 0.161 -4.753 -6.396 1.00 0.00 O ATOM 946 CB ARG A 59 2.377 -4.401 -8.668 1.00 0.00 C ATOM 947 CG ARG A 59 3.756 -4.390 -9.285 1.00 0.00 C ATOM 948 CD ARG A 59 4.418 -3.041 -9.095 1.00 0.00 C ATOM 949 NE ARG A 59 4.039 -2.090 -10.135 1.00 0.00 N ATOM 950 CZ ARG A 59 4.299 -0.786 -10.083 1.00 0.00 C ATOM 951 NH1 ARG A 59 4.861 -0.259 -8.996 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.992 -0.005 -11.114 1.00 0.00 N ATOM 0 H ARG A 59 2.045 -6.269 -6.469 1.00 0.00 H new ATOM 0 HA ARG A 59 3.125 -3.578 -6.843 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.856 -5.308 -8.976 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.806 -3.558 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.369 -5.168 -8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.686 -4.619 -10.348 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.145 -2.638 -8.120 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.501 -3.166 -9.096 1.00 0.00 H new ATOM 0 HE ARG A 59 3.544 -2.447 -10.952 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.093 -0.855 -8.202 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.059 0.741 -8.958 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.557 -0.405 -11.945 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.191 0.995 -11.074 1.00 0.00 H new ATOM 966 N PHE A 60 0.891 -2.616 -6.404 1.00 0.00 N ATOM 967 CA PHE A 60 -0.348 -2.060 -5.880 1.00 0.00 C ATOM 968 C PHE A 60 -1.071 -1.255 -6.955 1.00 0.00 C ATOM 969 O PHE A 60 -0.456 -0.455 -7.676 1.00 0.00 O ATOM 970 CB PHE A 60 -0.077 -1.157 -4.649 1.00 0.00 C ATOM 971 CG PHE A 60 0.435 -1.882 -3.437 1.00 0.00 C ATOM 972 CD1 PHE A 60 1.672 -2.502 -3.449 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.316 -1.927 -2.275 1.00 0.00 C ATOM 974 CE1 PHE A 60 2.147 -3.152 -2.332 1.00 0.00 C ATOM 975 CE2 PHE A 60 0.157 -2.579 -1.154 1.00 0.00 C ATOM 976 CZ PHE A 60 1.390 -3.193 -1.183 1.00 0.00 C ATOM 0 H PHE A 60 1.615 -1.922 -6.588 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.979 -2.893 -5.570 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.646 -0.391 -4.930 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.000 -0.641 -4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.273 -2.476 -4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.283 -1.447 -2.245 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.115 -3.630 -2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.440 -2.608 -0.254 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.761 -3.705 -0.307 1.00 0.00 H new ATOM 986 N ARG A 61 -2.369 -1.466 -7.075 1.00 0.00 N ATOM 987 CA ARG A 61 -3.178 -0.730 -8.033 1.00 0.00 C ATOM 988 C ARG A 61 -4.454 -0.233 -7.383 1.00 0.00 C ATOM 989 O ARG A 61 -5.064 -0.921 -6.558 1.00 0.00 O ATOM 990 CB ARG A 61 -3.529 -1.590 -9.230 1.00 0.00 C ATOM 991 CG ARG A 61 -4.432 -2.737 -8.880 1.00 0.00 C ATOM 992 CD ARG A 61 -5.564 -2.888 -9.856 1.00 0.00 C ATOM 993 NE ARG A 61 -5.946 -4.296 -9.972 1.00 0.00 N ATOM 994 CZ ARG A 61 -6.289 -4.914 -11.100 1.00 0.00 C ATOM 995 NH1 ARG A 61 -6.460 -4.229 -12.226 1.00 0.00 N ATOM 996 NH2 ARG A 61 -6.483 -6.226 -11.087 1.00 0.00 N ATOM 0 H ARG A 61 -2.889 -2.144 -6.518 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.588 0.121 -8.373 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.012 -0.971 -9.986 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.612 -1.978 -9.674 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.851 -3.659 -8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.836 -2.587 -7.879 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.419 -2.297 -9.527 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.267 -2.503 -10.831 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.950 -4.851 -9.116 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.328 -3.218 -12.233 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.723 -4.715 -13.084 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.369 -6.750 -10.219 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.746 -6.711 -11.945 1.00 0.00 H new ATOM 1010 N PHE A 62 -4.860 0.949 -7.748 1.00 0.00 N ATOM 1011 CA PHE A 62 -6.061 1.534 -7.226 1.00 0.00 C ATOM 1012 C PHE A 62 -6.781 2.268 -8.330 1.00 0.00 C ATOM 1013 O PHE A 62 -6.157 2.930 -9.140 1.00 0.00 O ATOM 1014 CB PHE A 62 -5.729 2.491 -6.076 1.00 0.00 C ATOM 1015 CG PHE A 62 -6.919 3.229 -5.531 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.751 2.635 -4.602 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.200 4.522 -5.948 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.840 3.312 -4.100 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.291 5.204 -5.450 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.113 4.598 -4.523 1.00 0.00 C ATOM 0 H PHE A 62 -4.365 1.537 -8.419 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.707 0.746 -6.839 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.265 1.925 -5.269 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.992 3.216 -6.422 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.545 1.629 -4.266 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.557 5.001 -6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.482 2.836 -3.374 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.501 6.209 -5.785 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.968 5.128 -4.129 1.00 0.00 H new ATOM 1030 N ASP A 63 -8.098 2.147 -8.361 1.00 0.00 N ATOM 1031 CA ASP A 63 -8.928 2.804 -9.380 1.00 0.00 C ATOM 1032 C ASP A 63 -8.477 2.424 -10.782 1.00 0.00 C ATOM 1033 O ASP A 63 -8.612 3.205 -11.725 1.00 0.00 O ATOM 1034 CB ASP A 63 -8.852 4.321 -9.230 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.200 4.992 -9.394 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -10.697 5.068 -10.535 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.771 5.455 -8.375 1.00 0.00 O ATOM 0 H ASP A 63 -8.628 1.595 -7.687 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.955 2.469 -9.234 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.446 4.565 -8.248 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.159 4.721 -9.970 1.00 0.00 H new ATOM 1042 N GLY A 64 -7.955 1.220 -10.937 1.00 0.00 N ATOM 1043 CA GLY A 64 -7.482 0.799 -12.231 1.00 0.00 C ATOM 1044 C GLY A 64 -6.096 1.310 -12.576 1.00 0.00 C ATOM 1045 O GLY A 64 -5.540 0.950 -13.613 1.00 0.00 O ATOM 0 H GLY A 64 -7.851 0.531 -10.192 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.476 -0.290 -12.268 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.184 1.140 -12.992 1.00 0.00 H new ATOM 1049 N GLN A 65 -5.515 2.133 -11.720 1.00 0.00 N ATOM 1050 CA GLN A 65 -4.195 2.687 -11.992 1.00 0.00 C ATOM 1051 C GLN A 65 -3.192 2.286 -10.916 1.00 0.00 C ATOM 1052 O GLN A 65 -3.519 2.239 -9.733 1.00 0.00 O ATOM 1053 CB GLN A 65 -4.263 4.213 -12.126 1.00 0.00 C ATOM 1054 CG GLN A 65 -4.887 4.914 -10.935 1.00 0.00 C ATOM 1055 CD GLN A 65 -5.001 6.399 -11.136 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -4.101 7.161 -10.784 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.100 6.819 -11.714 1.00 0.00 N ATOM 0 H GLN A 65 -5.930 2.432 -10.837 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.851 2.273 -12.940 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.254 4.599 -12.273 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.834 4.463 -13.020 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.878 4.498 -10.751 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.288 4.716 -10.046 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.819 6.150 -11.989 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.236 7.815 -11.889 1.00 0.00 H new ATOM 1066 N PRO A 66 -1.964 1.970 -11.318 1.00 0.00 N ATOM 1067 CA PRO A 66 -0.909 1.584 -10.386 1.00 0.00 C ATOM 1068 C PRO A 66 -0.407 2.778 -9.578 1.00 0.00 C ATOM 1069 O PRO A 66 -0.345 3.907 -10.076 1.00 0.00 O ATOM 1070 CB PRO A 66 0.195 1.053 -11.304 1.00 0.00 C ATOM 1071 CG PRO A 66 -0.016 1.769 -12.592 1.00 0.00 C ATOM 1072 CD PRO A 66 -1.501 1.974 -12.715 1.00 0.00 C ATOM 0 HA PRO A 66 -1.249 0.857 -9.649 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.184 1.256 -10.894 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.119 -0.027 -11.433 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.511 2.723 -12.599 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.368 1.187 -13.429 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.737 2.914 -13.213 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.969 1.179 -13.296 1.00 0.00 H new ATOM 1080 N ILE A 67 -0.031 2.537 -8.339 1.00 0.00 N ATOM 1081 CA ILE A 67 0.449 3.603 -7.480 1.00 0.00 C ATOM 1082 C ILE A 67 1.796 3.267 -6.904 1.00 0.00 C ATOM 1083 O ILE A 67 2.054 2.142 -6.484 1.00 0.00 O ATOM 1084 CB ILE A 67 -0.532 3.977 -6.325 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -0.932 2.744 -5.478 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -1.764 4.697 -6.867 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -2.045 1.913 -6.069 1.00 0.00 C ATOM 0 H ILE A 67 -0.048 1.615 -7.904 1.00 0.00 H new ATOM 0 HA ILE A 67 0.526 4.477 -8.126 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.003 4.660 -5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.055 2.111 -5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.235 3.082 -4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.432 4.947 -6.042 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.457 5.611 -7.375 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.284 4.048 -7.571 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.260 1.071 -5.411 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.939 2.527 -6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.741 1.540 -7.047 1.00 0.00 H new ATOM 1099 N ASN A 68 2.664 4.238 -6.925 1.00 0.00 N ATOM 1100 CA ASN A 68 3.995 4.108 -6.390 1.00 0.00 C ATOM 1101 C ASN A 68 4.016 4.505 -4.931 1.00 0.00 C ATOM 1102 O ASN A 68 3.169 5.268 -4.472 1.00 0.00 O ATOM 1103 CB ASN A 68 4.968 4.975 -7.198 1.00 0.00 C ATOM 1104 CG ASN A 68 4.280 6.173 -7.835 1.00 0.00 C ATOM 1105 OD1 ASN A 68 3.803 6.101 -8.972 1.00 0.00 O ATOM 1106 ND2 ASN A 68 4.211 7.264 -7.116 1.00 0.00 N ATOM 0 H ASN A 68 2.467 5.158 -7.320 1.00 0.00 H new ATOM 0 HA ASN A 68 4.308 3.067 -6.465 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.769 5.323 -6.546 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.431 4.369 -7.976 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.751 8.094 -7.491 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.617 7.285 -6.181 1.00 0.00 H new ATOM 1113 N GLU A 69 4.987 3.994 -4.200 1.00 0.00 N ATOM 1114 CA GLU A 69 5.124 4.274 -2.771 1.00 0.00 C ATOM 1115 C GLU A 69 5.353 5.761 -2.499 1.00 0.00 C ATOM 1116 O GLU A 69 5.135 6.249 -1.389 1.00 0.00 O ATOM 1117 CB GLU A 69 6.271 3.458 -2.186 1.00 0.00 C ATOM 1118 CG GLU A 69 7.505 3.433 -3.054 1.00 0.00 C ATOM 1119 CD GLU A 69 8.707 2.877 -2.336 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.055 3.403 -1.261 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.309 1.903 -2.843 1.00 0.00 O ATOM 0 H GLU A 69 5.706 3.373 -4.572 1.00 0.00 H new ATOM 0 HA GLU A 69 4.188 3.989 -2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.533 3.865 -1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.931 2.435 -2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.308 2.833 -3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.726 4.445 -3.395 1.00 0.00 H new ATOM 1128 N THR A 70 5.792 6.475 -3.511 1.00 0.00 N ATOM 1129 CA THR A 70 6.074 7.892 -3.395 1.00 0.00 C ATOM 1130 C THR A 70 4.796 8.737 -3.483 1.00 0.00 C ATOM 1131 O THR A 70 4.808 9.939 -3.207 1.00 0.00 O ATOM 1132 CB THR A 70 7.055 8.319 -4.492 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.519 7.960 -5.769 1.00 0.00 O ATOM 1134 CG2 THR A 70 8.382 7.614 -4.307 1.00 0.00 C ATOM 0 H THR A 70 5.965 6.091 -4.440 1.00 0.00 H new ATOM 0 HA THR A 70 6.519 8.062 -2.415 1.00 0.00 H new ATOM 0 HB THR A 70 7.205 9.397 -4.433 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.143 8.233 -6.474 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.072 7.925 -5.092 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.799 7.873 -3.334 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.232 6.536 -4.362 1.00 0.00 H new ATOM 1142 N ASP A 71 3.693 8.106 -3.857 1.00 0.00 N ATOM 1143 CA ASP A 71 2.412 8.805 -3.979 1.00 0.00 C ATOM 1144 C ASP A 71 1.673 8.796 -2.651 1.00 0.00 C ATOM 1145 O ASP A 71 1.981 7.998 -1.765 1.00 0.00 O ATOM 1146 CB ASP A 71 1.543 8.171 -5.074 1.00 0.00 C ATOM 1147 CG ASP A 71 1.355 9.083 -6.273 1.00 0.00 C ATOM 1148 OD1 ASP A 71 0.474 9.963 -6.224 1.00 0.00 O ATOM 1149 OD2 ASP A 71 2.083 8.919 -7.275 1.00 0.00 O ATOM 0 H ASP A 71 3.654 7.112 -4.082 1.00 0.00 H new ATOM 0 HA ASP A 71 2.617 9.838 -4.260 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.001 7.237 -5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.568 7.919 -4.658 1.00 0.00 H new ATOM 1154 N THR A 72 0.714 9.690 -2.495 1.00 0.00 N ATOM 1155 CA THR A 72 -0.066 9.778 -1.268 1.00 0.00 C ATOM 1156 C THR A 72 -1.547 9.508 -1.538 1.00 0.00 C ATOM 1157 O THR A 72 -2.034 9.746 -2.646 1.00 0.00 O ATOM 1158 CB THR A 72 0.075 11.175 -0.629 1.00 0.00 C ATOM 1159 OG1 THR A 72 -0.159 12.189 -1.619 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.455 11.360 -0.022 1.00 0.00 C ATOM 0 H THR A 72 0.453 10.372 -3.207 1.00 0.00 H new ATOM 0 HA THR A 72 0.320 9.022 -0.584 1.00 0.00 H new ATOM 0 HB THR A 72 -0.665 11.263 0.167 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.070 13.074 -1.208 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.527 12.353 0.421 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.618 10.606 0.748 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.212 11.254 -0.799 1.00 0.00 H new ATOM 1168 N PRO A 73 -2.296 9.022 -0.522 1.00 0.00 N ATOM 1169 CA PRO A 73 -3.736 8.755 -0.655 1.00 0.00 C ATOM 1170 C PRO A 73 -4.546 10.036 -0.919 1.00 0.00 C ATOM 1171 O PRO A 73 -5.735 9.988 -1.249 1.00 0.00 O ATOM 1172 CB PRO A 73 -4.123 8.142 0.700 1.00 0.00 C ATOM 1173 CG PRO A 73 -3.045 8.559 1.639 1.00 0.00 C ATOM 1174 CD PRO A 73 -1.794 8.675 0.824 1.00 0.00 C ATOM 0 HA PRO A 73 -3.949 8.104 -1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.096 8.503 1.032 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.191 7.056 0.636 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.289 9.510 2.113 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.922 7.828 2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.129 9.444 1.216 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.232 7.741 0.815 1.00 0.00 H new ATOM 1182 N ALA A 74 -3.900 11.182 -0.772 1.00 0.00 N ATOM 1183 CA ALA A 74 -4.545 12.463 -1.007 1.00 0.00 C ATOM 1184 C ALA A 74 -4.280 12.954 -2.421 1.00 0.00 C ATOM 1185 O ALA A 74 -4.988 13.815 -2.936 1.00 0.00 O ATOM 1186 CB ALA A 74 -4.064 13.492 0.001 1.00 0.00 C ATOM 0 H ALA A 74 -2.922 11.250 -0.489 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.620 12.326 -0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.557 14.446 -0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.304 13.154 1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.985 13.616 -0.092 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.262 12.386 -3.059 1.00 0.00 N ATOM 1193 CA GLN A 75 -2.875 12.791 -4.406 1.00 0.00 C ATOM 1194 C GLN A 75 -3.936 12.374 -5.426 1.00 0.00 C ATOM 1195 O GLN A 75 -4.197 13.076 -6.403 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.526 12.173 -4.772 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.738 12.976 -5.795 1.00 0.00 C ATOM 1198 CD GLN A 75 0.080 14.106 -5.172 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.345 14.596 -4.020 1.00 0.00 O flip ATOM 1200 NE2 GLN A 75 1.106 14.513 -5.717 1.00 0.00 N flip ATOM 0 H GLN A 75 -2.688 11.641 -2.663 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.788 13.877 -4.425 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.927 12.069 -3.867 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.691 11.169 -5.162 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.069 12.307 -6.335 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.428 13.396 -6.527 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.405 14.112 -6.606 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.657 15.251 -5.279 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.546 11.224 -5.193 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.590 10.716 -6.074 1.00 0.00 C ATOM 1211 C LEU A 76 -6.959 10.840 -5.417 1.00 0.00 C ATOM 1212 O LEU A 76 -7.975 10.437 -5.974 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.309 9.250 -6.531 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.670 8.270 -5.506 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.182 8.540 -5.330 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.380 8.328 -4.165 1.00 0.00 C ATOM 0 H LEU A 76 -4.337 10.620 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.587 11.332 -6.973 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.253 8.817 -6.861 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.656 9.292 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.788 7.264 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.768 7.837 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.674 8.418 -6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.037 9.559 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.908 7.631 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.315 9.339 -3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.427 8.056 -4.296 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.963 11.411 -4.210 1.00 0.00 N ATOM 1229 CA GLU A 77 -8.178 11.645 -3.430 1.00 0.00 C ATOM 1230 C GLU A 77 -9.027 10.385 -3.269 1.00 0.00 C ATOM 1231 O GLU A 77 -10.163 10.319 -3.735 1.00 0.00 O ATOM 1232 CB GLU A 77 -9.010 12.777 -4.037 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.284 14.107 -4.100 1.00 0.00 C ATOM 1234 CD GLU A 77 -9.158 15.215 -4.630 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -9.255 15.365 -5.864 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.754 15.942 -3.819 1.00 0.00 O ATOM 0 H GLU A 77 -6.113 11.727 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.853 11.941 -2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.314 12.492 -5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.921 12.899 -3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.930 14.372 -3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.404 14.007 -4.735 1.00 0.00 H new ATOM 1243 N MET A 78 -8.469 9.372 -2.634 1.00 0.00 N ATOM 1244 CA MET A 78 -9.221 8.151 -2.361 1.00 0.00 C ATOM 1245 C MET A 78 -10.112 8.340 -1.140 1.00 0.00 C ATOM 1246 O MET A 78 -10.055 9.378 -0.469 1.00 0.00 O ATOM 1247 CB MET A 78 -8.286 6.952 -2.161 1.00 0.00 C ATOM 1248 CG MET A 78 -7.200 7.182 -1.133 1.00 0.00 C ATOM 1249 SD MET A 78 -6.233 5.700 -0.777 1.00 0.00 S ATOM 1250 CE MET A 78 -5.771 5.155 -2.418 1.00 0.00 C ATOM 0 H MET A 78 -7.506 9.364 -2.298 1.00 0.00 H new ATOM 0 HA MET A 78 -9.849 7.943 -3.227 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.879 6.088 -1.861 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.822 6.703 -3.115 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.532 7.967 -1.488 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.653 7.543 -0.210 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.293 4.227 -2.654 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.044 5.920 -3.145 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.695 4.986 -2.456 1.00 0.00 H new ATOM 1260 N GLU A 79 -10.933 7.353 -0.849 1.00 0.00 N ATOM 1261 CA GLU A 79 -11.856 7.428 0.274 1.00 0.00 C ATOM 1262 C GLU A 79 -11.319 6.682 1.468 1.00 0.00 C ATOM 1263 O GLU A 79 -10.328 5.956 1.375 1.00 0.00 O ATOM 1264 CB GLU A 79 -13.203 6.837 -0.112 1.00 0.00 C ATOM 1265 CG GLU A 79 -13.896 7.584 -1.215 1.00 0.00 C ATOM 1266 CD GLU A 79 -15.137 6.881 -1.704 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -16.188 6.984 -1.049 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -15.069 6.224 -2.757 1.00 0.00 O ATOM 0 H GLU A 79 -10.983 6.481 -1.376 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.974 8.479 0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.060 5.801 -0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.848 6.822 0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.163 8.580 -0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.206 7.716 -2.048 1.00 0.00 H new ATOM 1275 N ASP A 80 -11.969 6.860 2.599 1.00 0.00 N ATOM 1276 CA ASP A 80 -11.609 6.134 3.785 1.00 0.00 C ATOM 1277 C ASP A 80 -12.209 4.758 3.722 1.00 0.00 C ATOM 1278 O ASP A 80 -13.342 4.580 3.273 1.00 0.00 O ATOM 1279 CB ASP A 80 -12.066 6.853 5.057 1.00 0.00 C ATOM 1280 CG ASP A 80 -13.551 7.128 5.080 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -13.986 8.100 4.431 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -14.285 6.385 5.750 1.00 0.00 O ATOM 0 H ASP A 80 -12.751 7.505 2.716 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.522 6.066 3.827 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.801 6.248 5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.526 7.796 5.148 1.00 0.00 H new ATOM 1287 N GLU A 81 -11.425 3.787 4.131 1.00 0.00 N ATOM 1288 CA GLU A 81 -11.804 2.384 4.140 1.00 0.00 C ATOM 1289 C GLU A 81 -11.805 1.799 2.734 1.00 0.00 C ATOM 1290 O GLU A 81 -12.305 0.691 2.510 1.00 0.00 O ATOM 1291 CB GLU A 81 -13.152 2.153 4.828 1.00 0.00 C ATOM 1292 CG GLU A 81 -13.185 2.606 6.273 1.00 0.00 C ATOM 1293 CD GLU A 81 -14.418 2.124 6.989 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -14.576 0.891 7.150 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -15.240 2.973 7.404 1.00 0.00 O ATOM 0 H GLU A 81 -10.480 3.951 4.477 1.00 0.00 H new ATOM 0 HA GLU A 81 -11.048 1.860 4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.928 2.681 4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -13.395 1.091 4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.299 2.236 6.789 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.146 3.695 6.312 1.00 0.00 H new ATOM 1302 N ASP A 82 -11.233 2.536 1.775 1.00 0.00 N ATOM 1303 CA ASP A 82 -11.128 2.048 0.407 1.00 0.00 C ATOM 1304 C ASP A 82 -10.163 0.868 0.354 1.00 0.00 C ATOM 1305 O ASP A 82 -9.521 0.528 1.349 1.00 0.00 O ATOM 1306 CB ASP A 82 -10.646 3.147 -0.533 1.00 0.00 C ATOM 1307 CG ASP A 82 -11.318 3.067 -1.895 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.208 2.009 -2.562 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -11.962 4.060 -2.310 1.00 0.00 O ATOM 0 H ASP A 82 -10.840 3.465 1.925 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.118 1.729 0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.847 4.121 -0.086 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.566 3.070 -0.657 1.00 0.00 H new ATOM 1314 N THR A 83 -10.037 0.248 -0.793 1.00 0.00 N ATOM 1315 CA THR A 83 -9.195 -0.919 -0.915 1.00 0.00 C ATOM 1316 C THR A 83 -8.326 -0.857 -2.178 1.00 0.00 C ATOM 1317 O THR A 83 -8.710 -0.270 -3.194 1.00 0.00 O ATOM 1318 CB THR A 83 -10.050 -2.202 -0.922 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.130 -2.051 0.015 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.220 -3.405 -0.510 1.00 0.00 C ATOM 0 H THR A 83 -10.505 0.530 -1.654 1.00 0.00 H new ATOM 0 HA THR A 83 -8.531 -0.938 -0.051 1.00 0.00 H new ATOM 0 HB THR A 83 -10.431 -2.360 -1.931 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.679 -2.863 0.015 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.844 -4.299 -0.522 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.391 -3.531 -1.207 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.828 -3.250 0.495 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.157 -1.472 -2.107 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.199 -1.486 -3.199 1.00 0.00 C ATOM 1330 C ILE A 84 -5.925 -2.930 -3.587 1.00 0.00 C ATOM 1331 O ILE A 84 -5.912 -3.810 -2.728 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.849 -0.788 -2.795 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -5.026 0.729 -2.624 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -3.749 -1.075 -3.806 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -5.737 1.134 -1.354 1.00 0.00 C ATOM 0 H ILE A 84 -6.844 -1.981 -1.280 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.621 -0.933 -4.038 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.552 -1.208 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.044 1.202 -2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.583 1.116 -3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.830 -0.577 -3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.578 -2.150 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.049 -0.704 -4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.819 2.220 -1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.734 0.694 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.171 0.781 -0.492 1.00 0.00 H new ATOM 1347 N ASP A 85 -5.724 -3.187 -4.867 1.00 0.00 N ATOM 1348 CA ASP A 85 -5.465 -4.543 -5.337 1.00 0.00 C ATOM 1349 C ASP A 85 -3.982 -4.805 -5.390 1.00 0.00 C ATOM 1350 O ASP A 85 -3.198 -3.944 -5.808 1.00 0.00 O ATOM 1351 CB ASP A 85 -6.047 -4.751 -6.718 1.00 0.00 C ATOM 1352 CG ASP A 85 -6.077 -6.205 -7.129 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -6.470 -7.048 -6.312 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -5.722 -6.502 -8.287 1.00 0.00 O ATOM 0 H ASP A 85 -5.734 -2.479 -5.601 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.936 -5.234 -4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.060 -4.350 -6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.461 -4.185 -7.443 1.00 0.00 H new ATOM 1359 N VAL A 86 -3.588 -5.978 -4.969 1.00 0.00 N ATOM 1360 CA VAL A 86 -2.209 -6.365 -4.986 1.00 0.00 C ATOM 1361 C VAL A 86 -2.022 -7.633 -5.774 1.00 0.00 C ATOM 1362 O VAL A 86 -2.811 -8.577 -5.676 1.00 0.00 O ATOM 1363 CB VAL A 86 -1.642 -6.538 -3.550 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -0.456 -7.499 -3.520 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -1.219 -5.196 -3.012 1.00 0.00 C ATOM 0 H VAL A 86 -4.219 -6.691 -4.604 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.653 -5.562 -5.470 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.430 -6.962 -2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.089 -7.592 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.771 -8.477 -3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.340 -7.115 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.821 -5.317 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.450 -4.771 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.079 -4.527 -2.984 1.00 0.00 H new ATOM 1375 N PHE A 87 -0.987 -7.652 -6.561 1.00 0.00 N ATOM 1376 CA PHE A 87 -0.645 -8.807 -7.347 1.00 0.00 C ATOM 1377 C PHE A 87 0.834 -9.069 -7.241 1.00 0.00 C ATOM 1378 O PHE A 87 1.635 -8.132 -7.171 1.00 0.00 O ATOM 1379 CB PHE A 87 -1.086 -8.653 -8.812 1.00 0.00 C ATOM 1380 CG PHE A 87 -0.902 -7.277 -9.401 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -1.760 -6.240 -9.064 1.00 0.00 C ATOM 1382 CD2 PHE A 87 0.117 -7.027 -10.301 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -1.601 -4.985 -9.609 1.00 0.00 C ATOM 1384 CE2 PHE A 87 0.279 -5.772 -10.855 1.00 0.00 C ATOM 1385 CZ PHE A 87 -0.581 -4.749 -10.505 1.00 0.00 C ATOM 0 H PHE A 87 -0.351 -6.863 -6.678 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.185 -9.667 -6.951 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.529 -9.367 -9.419 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.139 -8.924 -8.887 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.563 -6.419 -8.365 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.795 -7.822 -10.574 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.275 -4.187 -9.334 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.076 -5.591 -11.560 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.454 -3.766 -10.933 1.00 0.00 H new ATOM 1395 N GLN A 88 1.216 -10.329 -7.212 1.00 0.00 N ATOM 1396 CA GLN A 88 2.612 -10.660 -7.071 1.00 0.00 C ATOM 1397 C GLN A 88 3.211 -10.937 -8.423 1.00 0.00 C ATOM 1398 O GLN A 88 2.857 -11.918 -9.088 1.00 0.00 O ATOM 1399 CB GLN A 88 2.825 -11.869 -6.155 1.00 0.00 C ATOM 1400 CG GLN A 88 2.097 -11.794 -4.819 1.00 0.00 C ATOM 1401 CD GLN A 88 2.935 -12.306 -3.662 1.00 0.00 C ATOM 1402 OE1 GLN A 88 4.216 -11.973 -3.657 1.00 0.00 O flip ATOM 1403 NE2 GLN A 88 2.421 -12.941 -2.745 1.00 0.00 N flip ATOM 0 H GLN A 88 0.587 -11.128 -7.283 1.00 0.00 H new ATOM 0 HA GLN A 88 3.108 -9.804 -6.613 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.500 -12.767 -6.680 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.893 -11.980 -5.965 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.810 -10.761 -4.624 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.176 -12.374 -4.879 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.430 -13.180 -2.783 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.985 -13.229 -1.946 1.00 0.00 H new