USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 990 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 89 SER OG : rot -56:sc= 1.67 USER MOD Set 1.2: B 18 TYR OH : rot 37:sc= 0.764 USER MOD Single : A 18 TYR OH : rot 20:sc= 0.528 USER MOD Single : A 20 GLN :FLIP amide:sc=-0.00263 F(o=-1.4!,f=-0.0026) USER MOD Single : A 22 MET CE :methyl -162:sc= -0.33 (180deg=-0.466) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0559 USER MOD Single : A 32 LYS NZ :NH3+ -118:sc= 1.09 (180deg=0.61) USER MOD Single : A 35 THR OG1 : rot 70:sc= 1.06 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -69:sc= -0.609 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.0762 K(o=-0.076,f=-1) USER MOD Single : A 55 GLN : amide:sc= 1.09 K(o=1.1,f=-1.2) USER MOD Single : A 56 CYS SG : rot 180:sc= -0.0176 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 166:sc= 0.584 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0451 K(o=-0.045,f=-0.71) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 78 CYS SG : rot -91:sc= -3.99! USER MOD Single : A 84 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0513) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 88 SER OG : rot -85:sc= 0.476 USER MOD Single : B 20 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 22 MET CE :methyl -144:sc= 0 (180deg=-1.43) USER MOD Single : B 23 THR OG1 : rot -115:sc= 0.384 USER MOD Single : B 25 THR OG1 : rot 180:sc= 0.00889 USER MOD Single : B 32 LYS NZ :NH3+ -175:sc= -0.167 (180deg=-0.26) USER MOD Single : B 35 THR OG1 : rot 63:sc= 1.12 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 THR OG1 : rot -114:sc= 1.2 USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 53 HIS : no HD1:sc= 0.804 K(o=0.8,f=-3.3!) USER MOD Single : B 54 ASN : amide:sc= -1.62! C(o=-1.6!,f=-3.5!) USER MOD Single : B 55 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : B 56 CYS SG : rot 180:sc= -0.607 USER MOD Single : B 57 LYS NZ :NH3+ -170:sc= 1.21 (180deg=1.03) USER MOD Single : B 59 CYS SG : rot -26:sc= -0.0537 USER MOD Single : B 62 SER OG : rot 180:sc= 0.00455 USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 HIS : no HD1:sc= 0.142 K(o=0.14,f=-0.88) USER MOD Single : B 78 CYS SG : rot -80:sc= -2.51! USER MOD Single : B 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 88 SER OG : rot 73:sc= 1.22 USER MOD Single : B 89 SER OG : rot 45:sc= 0.0543 USER MOD ----------------------------------------------------------------- ATOM 239 N LEU A 17 8.909 -6.390 14.604 1.00 0.00 N ATOM 240 CA LEU A 17 8.414 -6.545 13.242 1.00 0.00 C ATOM 241 C LEU A 17 7.017 -5.952 13.094 1.00 0.00 C ATOM 242 O LEU A 17 6.850 -4.816 12.651 1.00 0.00 O ATOM 243 CB LEU A 17 8.391 -8.028 12.839 1.00 0.00 C ATOM 244 CG LEU A 17 9.761 -8.701 12.710 1.00 0.00 C ATOM 245 CD1 LEU A 17 9.603 -10.197 12.492 1.00 0.00 C ATOM 246 CD2 LEU A 17 10.557 -8.083 11.566 1.00 0.00 C ATOM 0 HA LEU A 17 9.093 -6.006 12.582 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.805 -8.577 13.576 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.871 -8.119 11.886 1.00 0.00 H new ATOM 0 HG LEU A 17 10.308 -8.541 13.639 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.587 -10.658 12.403 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.073 -10.634 13.338 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.035 -10.374 11.578 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.527 -8.574 11.491 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.011 -8.212 10.631 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.703 -7.020 11.757 1.00 0.00 H new ATOM 258 N TYR A 18 6.023 -6.740 13.468 1.00 0.00 N ATOM 259 CA TYR A 18 4.623 -6.362 13.311 1.00 0.00 C ATOM 260 C TYR A 18 4.195 -5.438 14.457 1.00 0.00 C ATOM 261 O TYR A 18 4.994 -5.140 15.343 1.00 0.00 O ATOM 262 CB TYR A 18 3.753 -7.628 13.271 1.00 0.00 C ATOM 263 CG TYR A 18 2.409 -7.455 12.589 1.00 0.00 C ATOM 264 CD1 TYR A 18 2.333 -7.132 11.241 1.00 0.00 C ATOM 265 CD2 TYR A 18 1.221 -7.632 13.289 1.00 0.00 C ATOM 266 CE1 TYR A 18 1.113 -6.989 10.607 1.00 0.00 C ATOM 267 CE2 TYR A 18 -0.004 -7.490 12.661 1.00 0.00 C ATOM 268 CZ TYR A 18 -0.052 -7.168 11.320 1.00 0.00 C ATOM 269 OH TYR A 18 -1.269 -7.027 10.690 1.00 0.00 O ATOM 0 H TYR A 18 6.160 -7.659 13.889 1.00 0.00 H new ATOM 0 HA TYR A 18 4.494 -5.819 12.374 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.306 -8.416 12.759 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.585 -7.969 14.293 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.243 -6.990 10.678 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.255 -7.884 14.339 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.073 -6.738 9.557 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.919 -7.631 13.218 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.148 -7.112 9.721 1.00 0.00 H new ATOM 279 N PHE A 19 2.935 -4.998 14.433 1.00 0.00 N ATOM 280 CA PHE A 19 2.406 -4.069 15.435 1.00 0.00 C ATOM 281 C PHE A 19 2.614 -4.584 16.856 1.00 0.00 C ATOM 282 O PHE A 19 2.676 -5.797 17.082 1.00 0.00 O ATOM 283 CB PHE A 19 0.918 -3.806 15.186 1.00 0.00 C ATOM 284 CG PHE A 19 0.642 -3.086 13.893 1.00 0.00 C ATOM 285 CD1 PHE A 19 0.673 -1.701 13.839 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.361 -3.792 12.734 1.00 0.00 C ATOM 287 CE1 PHE A 19 0.427 -1.035 12.654 1.00 0.00 C ATOM 288 CE2 PHE A 19 0.113 -3.130 11.546 1.00 0.00 C ATOM 289 CZ PHE A 19 0.148 -1.749 11.506 1.00 0.00 C ATOM 0 H PHE A 19 2.256 -5.273 13.723 1.00 0.00 H new ATOM 0 HA PHE A 19 2.960 -3.135 15.336 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.385 -4.757 15.184 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.518 -3.218 16.012 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.892 -1.136 14.733 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.335 -4.871 12.759 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.453 0.044 12.626 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.108 -3.691 10.650 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.043 -1.230 10.579 1.00 0.00 H new ATOM 299 N GLN A 20 2.719 -3.638 17.801 1.00 0.00 N ATOM 300 CA GLN A 20 3.006 -3.935 19.209 1.00 0.00 C ATOM 301 C GLN A 20 4.493 -4.277 19.383 1.00 0.00 C ATOM 302 O GLN A 20 4.941 -4.661 20.465 1.00 0.00 O ATOM 303 CB GLN A 20 2.099 -5.065 19.728 1.00 0.00 C ATOM 304 CG GLN A 20 2.229 -5.361 21.215 1.00 0.00 C ATOM 305 CD GLN A 20 1.365 -6.533 21.645 1.00 0.00 C ATOM 306 OE1 GLN A 20 1.127 -7.458 20.729 1.00 0.00 O flip ATOM 307 NE2 GLN A 20 0.918 -6.610 22.791 1.00 0.00 N flip ATOM 0 H GLN A 20 2.607 -2.643 17.608 1.00 0.00 H new ATOM 0 HA GLN A 20 2.791 -3.049 19.807 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.062 -4.806 19.514 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.322 -5.975 19.171 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.271 -5.575 21.451 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.948 -4.476 21.786 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.124 -5.876 23.469 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.342 -7.407 23.061 1.00 0.00 H new ATOM 316 N GLY A 21 5.253 -4.110 18.308 1.00 0.00 N ATOM 317 CA GLY A 21 6.682 -4.341 18.356 1.00 0.00 C ATOM 318 C GLY A 21 7.414 -3.562 17.282 1.00 0.00 C ATOM 319 O GLY A 21 8.004 -4.146 16.376 1.00 0.00 O ATOM 0 H GLY A 21 4.900 -3.816 17.397 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.064 -4.055 19.336 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.883 -5.405 18.234 1.00 0.00 H new ATOM 323 N MET A 22 7.370 -2.240 17.382 1.00 0.00 N ATOM 324 CA MET A 22 7.998 -1.377 16.390 1.00 0.00 C ATOM 325 C MET A 22 9.264 -0.728 16.928 1.00 0.00 C ATOM 326 O MET A 22 9.264 -0.152 18.015 1.00 0.00 O ATOM 327 CB MET A 22 7.038 -0.275 15.940 1.00 0.00 C ATOM 328 CG MET A 22 6.247 -0.610 14.689 1.00 0.00 C ATOM 329 SD MET A 22 4.987 -1.868 14.947 1.00 0.00 S ATOM 330 CE MET A 22 4.370 -2.045 13.271 1.00 0.00 C ATOM 0 H MET A 22 6.905 -1.741 18.141 1.00 0.00 H new ATOM 0 HA MET A 22 8.257 -2.012 15.543 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.341 -0.063 16.751 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.608 0.637 15.762 1.00 0.00 H new ATOM 0 HG2 MET A 22 5.771 0.297 14.316 1.00 0.00 H new ATOM 0 HG3 MET A 22 6.935 -0.950 13.915 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.394 -2.531 13.292 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.276 -1.061 12.812 1.00 0.00 H new ATOM 0 HE3 MET A 22 5.065 -2.651 12.690 1.00 0.00 H new ATOM 340 N THR A 23 10.340 -0.831 16.163 1.00 0.00 N ATOM 341 CA THR A 23 11.546 -0.065 16.430 1.00 0.00 C ATOM 342 C THR A 23 11.658 1.096 15.447 1.00 0.00 C ATOM 343 O THR A 23 11.510 2.258 15.824 1.00 0.00 O ATOM 344 CB THR A 23 12.807 -0.943 16.338 1.00 0.00 C ATOM 345 OG1 THR A 23 12.656 -1.903 15.284 1.00 0.00 O ATOM 346 CG2 THR A 23 13.079 -1.649 17.659 1.00 0.00 C ATOM 0 H THR A 23 10.402 -1.441 15.348 1.00 0.00 H new ATOM 0 HA THR A 23 11.474 0.320 17.447 1.00 0.00 H new ATOM 0 HB THR A 23 13.659 -0.300 16.118 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.462 -2.458 15.229 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.975 -2.262 17.566 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.227 -0.908 18.444 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.230 -2.283 17.914 1.00 0.00 H new ATOM 354 N ASP A 24 11.898 0.771 14.180 1.00 0.00 N ATOM 355 CA ASP A 24 12.005 1.791 13.136 1.00 0.00 C ATOM 356 C ASP A 24 11.838 1.180 11.750 1.00 0.00 C ATOM 357 O ASP A 24 11.183 1.755 10.881 1.00 0.00 O ATOM 358 CB ASP A 24 13.356 2.506 13.219 1.00 0.00 C ATOM 359 CG ASP A 24 13.492 3.601 12.178 1.00 0.00 C ATOM 360 OD1 ASP A 24 13.090 4.747 12.465 1.00 0.00 O ATOM 361 OD2 ASP A 24 14.008 3.323 11.074 1.00 0.00 O ATOM 0 H ASP A 24 12.022 -0.186 13.850 1.00 0.00 H new ATOM 0 HA ASP A 24 11.204 2.513 13.298 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.477 2.936 14.213 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.158 1.780 13.086 1.00 0.00 H new ATOM 366 N THR A 25 12.409 -0.004 11.564 1.00 0.00 N ATOM 367 CA THR A 25 12.444 -0.665 10.261 1.00 0.00 C ATOM 368 C THR A 25 11.047 -0.940 9.694 1.00 0.00 C ATOM 369 O THR A 25 10.877 -1.072 8.482 1.00 0.00 O ATOM 370 CB THR A 25 13.230 -1.981 10.360 1.00 0.00 C ATOM 371 OG1 THR A 25 12.977 -2.594 11.635 1.00 0.00 O ATOM 372 CG2 THR A 25 14.722 -1.736 10.185 1.00 0.00 C ATOM 0 H THR A 25 12.861 -0.534 12.309 1.00 0.00 H new ATOM 0 HA THR A 25 12.941 0.020 9.574 1.00 0.00 H new ATOM 0 HB THR A 25 12.900 -2.647 9.563 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.477 -3.435 11.699 1.00 0.00 H new ATOM 0 HG21 THR A 25 15.257 -2.683 10.259 1.00 0.00 H new ATOM 0 HG22 THR A 25 14.905 -1.291 9.207 1.00 0.00 H new ATOM 0 HG23 THR A 25 15.073 -1.059 10.963 1.00 0.00 H new ATOM 380 N ALA A 26 10.051 -0.998 10.571 1.00 0.00 N ATOM 381 CA ALA A 26 8.674 -1.252 10.155 1.00 0.00 C ATOM 382 C ALA A 26 8.128 -0.099 9.318 1.00 0.00 C ATOM 383 O ALA A 26 7.169 -0.267 8.564 1.00 0.00 O ATOM 384 CB ALA A 26 7.794 -1.490 11.373 1.00 0.00 C ATOM 0 H ALA A 26 10.170 -0.873 11.576 1.00 0.00 H new ATOM 0 HA ALA A 26 8.667 -2.147 9.533 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.770 -1.678 11.051 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.165 -2.353 11.927 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.816 -0.610 12.015 1.00 0.00 H new ATOM 390 N ALA A 27 8.746 1.071 9.445 1.00 0.00 N ATOM 391 CA ALA A 27 8.327 2.239 8.679 1.00 0.00 C ATOM 392 C ALA A 27 8.730 2.091 7.219 1.00 0.00 C ATOM 393 O ALA A 27 8.063 2.602 6.322 1.00 0.00 O ATOM 394 CB ALA A 27 8.928 3.509 9.267 1.00 0.00 C ATOM 0 H ALA A 27 9.536 1.235 10.069 1.00 0.00 H new ATOM 0 HA ALA A 27 7.241 2.313 8.734 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.604 4.370 8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.595 3.625 10.298 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.016 3.442 9.242 1.00 0.00 H new ATOM 400 N GLU A 28 9.813 1.365 6.993 1.00 0.00 N ATOM 401 CA GLU A 28 10.349 1.170 5.656 1.00 0.00 C ATOM 402 C GLU A 28 9.443 0.254 4.833 1.00 0.00 C ATOM 403 O GLU A 28 9.307 0.429 3.623 1.00 0.00 O ATOM 404 CB GLU A 28 11.761 0.584 5.753 1.00 0.00 C ATOM 405 CG GLU A 28 12.449 0.375 4.415 1.00 0.00 C ATOM 406 CD GLU A 28 12.525 1.640 3.586 1.00 0.00 C ATOM 407 OE1 GLU A 28 12.815 2.715 4.145 1.00 0.00 O ATOM 408 OE2 GLU A 28 12.299 1.564 2.362 1.00 0.00 O ATOM 0 H GLU A 28 10.343 0.896 7.728 1.00 0.00 H new ATOM 0 HA GLU A 28 10.394 2.134 5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.375 1.247 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.709 -0.372 6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.457 -0.002 4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.914 -0.390 3.853 1.00 0.00 H new ATOM 415 N ASP A 29 8.812 -0.702 5.501 1.00 0.00 N ATOM 416 CA ASP A 29 7.979 -1.691 4.820 1.00 0.00 C ATOM 417 C ASP A 29 6.660 -1.079 4.348 1.00 0.00 C ATOM 418 O ASP A 29 6.325 -1.138 3.162 1.00 0.00 O ATOM 419 CB ASP A 29 7.706 -2.877 5.747 1.00 0.00 C ATOM 420 CG ASP A 29 6.947 -3.995 5.056 1.00 0.00 C ATOM 421 OD1 ASP A 29 7.597 -4.841 4.405 1.00 0.00 O ATOM 422 OD2 ASP A 29 5.708 -4.033 5.172 1.00 0.00 O ATOM 0 H ASP A 29 8.859 -0.816 6.514 1.00 0.00 H new ATOM 0 HA ASP A 29 8.522 -2.039 3.941 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.653 -3.264 6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.135 -2.535 6.610 1.00 0.00 H new ATOM 427 N VAL A 30 5.934 -0.450 5.268 1.00 0.00 N ATOM 428 CA VAL A 30 4.639 0.128 4.946 1.00 0.00 C ATOM 429 C VAL A 30 4.770 1.316 3.992 1.00 0.00 C ATOM 430 O VAL A 30 3.902 1.550 3.155 1.00 0.00 O ATOM 431 CB VAL A 30 3.890 0.564 6.217 1.00 0.00 C ATOM 432 CG1 VAL A 30 3.616 -0.632 7.114 1.00 0.00 C ATOM 433 CG2 VAL A 30 4.658 1.634 6.976 1.00 0.00 C ATOM 0 H VAL A 30 6.222 -0.329 6.239 1.00 0.00 H new ATOM 0 HA VAL A 30 4.063 -0.652 4.447 1.00 0.00 H new ATOM 0 HB VAL A 30 2.937 0.994 5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.086 -0.303 8.008 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.006 -1.358 6.576 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.560 -1.094 7.402 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.100 1.919 7.868 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.633 1.244 7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.792 2.507 6.338 1.00 0.00 H new ATOM 443 N ARG A 31 5.861 2.061 4.114 1.00 0.00 N ATOM 444 CA ARG A 31 6.128 3.177 3.215 1.00 0.00 C ATOM 445 C ARG A 31 6.424 2.654 1.813 1.00 0.00 C ATOM 446 O ARG A 31 6.122 3.306 0.809 1.00 0.00 O ATOM 447 CB ARG A 31 7.299 4.009 3.745 1.00 0.00 C ATOM 448 CG ARG A 31 7.724 5.152 2.837 1.00 0.00 C ATOM 449 CD ARG A 31 8.790 6.010 3.504 1.00 0.00 C ATOM 450 NE ARG A 31 9.929 5.209 3.958 1.00 0.00 N ATOM 451 CZ ARG A 31 10.574 5.420 5.109 1.00 0.00 C ATOM 452 NH1 ARG A 31 10.212 6.417 5.904 1.00 0.00 N ATOM 453 NH2 ARG A 31 11.581 4.630 5.470 1.00 0.00 N ATOM 0 H ARG A 31 6.576 1.913 4.827 1.00 0.00 H new ATOM 0 HA ARG A 31 5.248 3.818 3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.027 4.417 4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.153 3.351 3.903 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.108 4.752 1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.858 5.767 2.591 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.136 6.769 2.803 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.354 6.536 4.353 1.00 0.00 H new ATOM 0 HE ARG A 31 10.248 4.446 3.361 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.439 7.026 5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.707 6.575 6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.865 3.858 4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.069 4.796 6.350 1.00 0.00 H new ATOM 467 N LYS A 32 6.991 1.457 1.756 1.00 0.00 N ATOM 468 CA LYS A 32 7.358 0.836 0.494 1.00 0.00 C ATOM 469 C LYS A 32 6.111 0.434 -0.290 1.00 0.00 C ATOM 470 O LYS A 32 5.974 0.781 -1.464 1.00 0.00 O ATOM 471 CB LYS A 32 8.245 -0.379 0.757 1.00 0.00 C ATOM 472 CG LYS A 32 8.999 -0.874 -0.465 1.00 0.00 C ATOM 473 CD LYS A 32 10.036 -1.917 -0.081 1.00 0.00 C ATOM 474 CE LYS A 32 10.995 -1.386 0.978 1.00 0.00 C ATOM 475 NZ LYS A 32 11.781 -0.222 0.488 1.00 0.00 N ATOM 0 H LYS A 32 7.208 0.893 2.578 1.00 0.00 H new ATOM 0 HA LYS A 32 7.914 1.556 -0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.964 -0.128 1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.627 -1.190 1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.297 -1.301 -1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.488 -0.035 -0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.535 -2.809 0.295 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.598 -2.216 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.431 -1.095 1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.676 -2.181 1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.793 -0.460 0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.485 0.014 -0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.615 0.595 1.109 1.00 0.00 H new ATOM 489 N ILE A 33 5.189 -0.275 0.362 1.00 0.00 N ATOM 490 CA ILE A 33 3.949 -0.683 -0.292 1.00 0.00 C ATOM 491 C ILE A 33 3.094 0.533 -0.635 1.00 0.00 C ATOM 492 O ILE A 33 2.405 0.543 -1.653 1.00 0.00 O ATOM 493 CB ILE A 33 3.113 -1.671 0.556 1.00 0.00 C ATOM 494 CG1 ILE A 33 2.847 -1.102 1.953 1.00 0.00 C ATOM 495 CG2 ILE A 33 3.805 -3.031 0.642 1.00 0.00 C ATOM 496 CD1 ILE A 33 1.832 -1.896 2.747 1.00 0.00 C ATOM 0 H ILE A 33 5.277 -0.575 1.333 1.00 0.00 H new ATOM 0 HA ILE A 33 4.246 -1.201 -1.204 1.00 0.00 H new ATOM 0 HB ILE A 33 2.151 -1.812 0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.785 -1.069 2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.497 -0.074 1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.200 -3.710 1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.925 -3.442 -0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.785 -2.912 1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.694 -1.435 3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.881 -1.907 2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.189 -2.918 2.875 1.00 0.00 H new ATOM 508 N ALA A 34 3.156 1.561 0.209 1.00 0.00 N ATOM 509 CA ALA A 34 2.422 2.799 -0.033 1.00 0.00 C ATOM 510 C ALA A 34 2.869 3.444 -1.337 1.00 0.00 C ATOM 511 O ALA A 34 2.065 3.998 -2.082 1.00 0.00 O ATOM 512 CB ALA A 34 2.615 3.767 1.122 1.00 0.00 C ATOM 0 H ALA A 34 3.708 1.560 1.067 1.00 0.00 H new ATOM 0 HA ALA A 34 1.363 2.555 -0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.061 4.684 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.248 3.313 2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.675 3.999 1.229 1.00 0.00 H new ATOM 518 N THR A 35 4.160 3.359 -1.609 1.00 0.00 N ATOM 519 CA THR A 35 4.711 3.885 -2.844 1.00 0.00 C ATOM 520 C THR A 35 4.359 2.968 -4.016 1.00 0.00 C ATOM 521 O THR A 35 4.034 3.428 -5.112 1.00 0.00 O ATOM 522 CB THR A 35 6.241 4.028 -2.744 1.00 0.00 C ATOM 523 OG1 THR A 35 6.593 4.747 -1.550 1.00 0.00 O ATOM 524 CG2 THR A 35 6.804 4.754 -3.957 1.00 0.00 C ATOM 0 H THR A 35 4.847 2.930 -0.989 1.00 0.00 H new ATOM 0 HA THR A 35 4.276 4.870 -3.014 1.00 0.00 H new ATOM 0 HB THR A 35 6.670 3.027 -2.708 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.403 4.191 -0.766 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.886 4.841 -3.859 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.565 4.193 -4.860 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.365 5.749 -4.022 1.00 0.00 H new ATOM 532 N ALA A 36 4.404 1.666 -3.759 1.00 0.00 N ATOM 533 CA ALA A 36 4.141 0.665 -4.782 1.00 0.00 C ATOM 534 C ALA A 36 2.698 0.723 -5.279 1.00 0.00 C ATOM 535 O ALA A 36 2.452 0.625 -6.483 1.00 0.00 O ATOM 536 CB ALA A 36 4.463 -0.725 -4.255 1.00 0.00 C ATOM 0 H ALA A 36 4.622 1.278 -2.841 1.00 0.00 H new ATOM 0 HA ALA A 36 4.788 0.885 -5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.262 -1.464 -5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.515 -0.773 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.844 -0.936 -3.383 1.00 0.00 H new ATOM 542 N LEU A 37 1.751 0.897 -4.362 1.00 0.00 N ATOM 543 CA LEU A 37 0.342 0.913 -4.724 1.00 0.00 C ATOM 544 C LEU A 37 0.000 2.129 -5.583 1.00 0.00 C ATOM 545 O LEU A 37 -0.949 2.093 -6.359 1.00 0.00 O ATOM 546 CB LEU A 37 -0.550 0.836 -3.471 1.00 0.00 C ATOM 547 CG LEU A 37 -0.397 1.956 -2.431 1.00 0.00 C ATOM 548 CD1 LEU A 37 -1.215 3.183 -2.814 1.00 0.00 C ATOM 549 CD2 LEU A 37 -0.811 1.453 -1.056 1.00 0.00 C ATOM 0 H LEU A 37 1.935 1.028 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 37 0.143 0.027 -5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.590 0.818 -3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.355 -0.115 -2.975 1.00 0.00 H new ATOM 0 HG LEU A 37 0.652 2.250 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.085 3.957 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.877 3.559 -3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.269 2.912 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.699 2.255 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.852 1.131 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.179 0.612 -0.771 1.00 0.00 H new ATOM 561 N LEU A 38 0.783 3.191 -5.461 1.00 0.00 N ATOM 562 CA LEU A 38 0.568 4.384 -6.271 1.00 0.00 C ATOM 563 C LEU A 38 1.027 4.151 -7.705 1.00 0.00 C ATOM 564 O LEU A 38 0.456 4.697 -8.649 1.00 0.00 O ATOM 565 CB LEU A 38 1.309 5.587 -5.680 1.00 0.00 C ATOM 566 CG LEU A 38 0.772 6.088 -4.338 1.00 0.00 C ATOM 567 CD1 LEU A 38 1.605 7.258 -3.836 1.00 0.00 C ATOM 568 CD2 LEU A 38 -0.690 6.492 -4.466 1.00 0.00 C ATOM 0 H LEU A 38 1.569 3.253 -4.813 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.501 4.597 -6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.359 5.322 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.269 6.406 -6.398 1.00 0.00 H new ATOM 0 HG LEU A 38 0.843 5.277 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.210 7.603 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.639 6.939 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.563 8.071 -4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.055 6.846 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.784 7.288 -5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.279 5.631 -4.784 1.00 0.00 H new ATOM 580 N LYS A 39 2.053 3.326 -7.865 1.00 0.00 N ATOM 581 CA LYS A 39 2.622 3.058 -9.172 1.00 0.00 C ATOM 582 C LYS A 39 1.860 1.948 -9.894 1.00 0.00 C ATOM 583 O LYS A 39 1.986 1.789 -11.106 1.00 0.00 O ATOM 584 CB LYS A 39 4.099 2.695 -9.024 1.00 0.00 C ATOM 585 CG LYS A 39 4.914 3.777 -8.332 1.00 0.00 C ATOM 586 CD LYS A 39 6.403 3.462 -8.320 1.00 0.00 C ATOM 587 CE LYS A 39 7.018 3.577 -9.707 1.00 0.00 C ATOM 588 NZ LYS A 39 8.501 3.459 -9.668 1.00 0.00 N ATOM 0 H LYS A 39 2.508 2.830 -7.099 1.00 0.00 H new ATOM 0 HA LYS A 39 2.535 3.959 -9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.184 1.767 -8.458 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.521 2.506 -10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.751 4.730 -8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.562 3.894 -7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.913 4.144 -7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.558 2.453 -7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.609 2.799 -10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.741 4.534 -10.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.881 3.543 -10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.894 4.217 -9.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.765 2.535 -9.270 1.00 0.00 H new ATOM 602 N THR A 40 1.072 1.182 -9.148 1.00 0.00 N ATOM 603 CA THR A 40 0.256 0.134 -9.747 1.00 0.00 C ATOM 604 C THR A 40 -1.174 0.628 -9.970 1.00 0.00 C ATOM 605 O THR A 40 -1.933 0.038 -10.735 1.00 0.00 O ATOM 606 CB THR A 40 0.248 -1.154 -8.885 1.00 0.00 C ATOM 607 OG1 THR A 40 -0.396 -2.222 -9.591 1.00 0.00 O ATOM 608 CG2 THR A 40 -0.463 -0.933 -7.560 1.00 0.00 C ATOM 0 H THR A 40 0.981 1.266 -8.136 1.00 0.00 H new ATOM 0 HA THR A 40 0.702 -0.114 -10.710 1.00 0.00 H new ATOM 0 HB THR A 40 1.286 -1.417 -8.683 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.356 -2.036 -9.661 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.450 -1.857 -6.981 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.045 -0.147 -7.001 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.495 -0.636 -7.746 1.00 0.00 H new ATOM 616 N ALA A 41 -1.535 1.719 -9.302 1.00 0.00 N ATOM 617 CA ALA A 41 -2.861 2.299 -9.458 1.00 0.00 C ATOM 618 C ALA A 41 -2.871 3.328 -10.577 1.00 0.00 C ATOM 619 O ALA A 41 -3.932 3.753 -11.037 1.00 0.00 O ATOM 620 CB ALA A 41 -3.327 2.930 -8.156 1.00 0.00 C ATOM 0 H ALA A 41 -0.929 2.217 -8.650 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.552 1.498 -9.721 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.320 3.358 -8.294 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.365 2.169 -7.376 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.631 3.716 -7.863 1.00 0.00 H new ATOM 626 N ILE A 42 -1.686 3.742 -11.000 1.00 0.00 N ATOM 627 CA ILE A 42 -1.563 4.679 -12.102 1.00 0.00 C ATOM 628 C ILE A 42 -0.917 3.994 -13.294 1.00 0.00 C ATOM 629 O ILE A 42 0.311 3.942 -13.410 1.00 0.00 O ATOM 630 CB ILE A 42 -0.732 5.925 -11.725 1.00 0.00 C ATOM 631 CG1 ILE A 42 -1.323 6.623 -10.495 1.00 0.00 C ATOM 632 CG2 ILE A 42 -0.647 6.898 -12.899 1.00 0.00 C ATOM 633 CD1 ILE A 42 -2.718 7.160 -10.711 1.00 0.00 C ATOM 0 H ILE A 42 -0.798 3.443 -10.596 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.570 5.011 -12.353 1.00 0.00 H new ATOM 0 HB ILE A 42 0.277 5.593 -11.480 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.339 5.920 -9.662 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.668 7.445 -10.205 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.057 7.767 -12.609 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.173 6.404 -13.747 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.650 7.218 -13.180 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.069 7.640 -9.797 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.706 7.889 -11.522 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.388 6.340 -10.970 1.00 0.00 H new ATOM 645 N GLU A 43 -1.753 3.441 -14.151 1.00 0.00 N ATOM 646 CA GLU A 43 -1.291 2.791 -15.362 1.00 0.00 C ATOM 647 C GLU A 43 -2.076 3.324 -16.554 1.00 0.00 C ATOM 648 O GLU A 43 -3.221 3.767 -16.414 1.00 0.00 O ATOM 649 CB GLU A 43 -1.430 1.268 -15.249 1.00 0.00 C ATOM 650 CG GLU A 43 -0.885 0.504 -16.453 1.00 0.00 C ATOM 651 CD GLU A 43 0.594 0.736 -16.696 1.00 0.00 C ATOM 652 OE1 GLU A 43 0.981 1.873 -17.040 1.00 0.00 O ATOM 653 OE2 GLU A 43 1.382 -0.225 -16.564 1.00 0.00 O ATOM 0 H GLU A 43 -2.766 3.429 -14.029 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.234 3.014 -15.507 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.910 0.931 -14.352 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.483 1.018 -15.119 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.058 -0.562 -16.306 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.442 0.798 -17.343 1.00 0.00 H new ATOM 660 N ILE A 44 -1.455 3.295 -17.719 1.00 0.00 N ATOM 661 CA ILE A 44 -2.050 3.883 -18.902 1.00 0.00 C ATOM 662 C ILE A 44 -2.098 2.886 -20.064 1.00 0.00 C ATOM 663 O ILE A 44 -1.078 2.338 -20.489 1.00 0.00 O ATOM 664 CB ILE A 44 -1.288 5.166 -19.323 1.00 0.00 C ATOM 665 CG1 ILE A 44 -1.874 5.759 -20.610 1.00 0.00 C ATOM 666 CG2 ILE A 44 0.197 4.879 -19.492 1.00 0.00 C ATOM 667 CD1 ILE A 44 -1.261 7.090 -20.995 1.00 0.00 C ATOM 0 H ILE A 44 -0.540 2.871 -17.870 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.076 4.153 -18.650 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.408 5.903 -18.529 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.728 5.051 -21.426 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.949 5.885 -20.486 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.713 5.793 -19.788 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.608 4.519 -18.549 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.336 4.119 -20.261 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.722 7.451 -21.914 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.429 7.813 -20.197 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.190 6.965 -21.152 1.00 0.00 H new ATOM 679 N VAL A 45 -3.302 2.647 -20.561 1.00 0.00 N ATOM 680 CA VAL A 45 -3.494 1.830 -21.744 1.00 0.00 C ATOM 681 C VAL A 45 -3.620 2.735 -22.954 1.00 0.00 C ATOM 682 O VAL A 45 -4.625 3.424 -23.138 1.00 0.00 O ATOM 683 CB VAL A 45 -4.731 0.905 -21.648 1.00 0.00 C ATOM 684 CG1 VAL A 45 -4.409 -0.325 -20.823 1.00 0.00 C ATOM 685 CG2 VAL A 45 -5.926 1.638 -21.054 1.00 0.00 C ATOM 0 H VAL A 45 -4.165 3.011 -20.158 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.625 1.178 -21.836 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.994 0.595 -22.659 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.289 -0.965 -20.765 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.592 -0.873 -21.291 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.114 -0.022 -19.818 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.778 0.961 -21.000 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.677 1.988 -20.052 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.179 2.491 -21.684 1.00 0.00 H new ATOM 772 N HIS A 53 -5.115 6.163 -22.697 1.00 0.00 N ATOM 773 CA HIS A 53 -6.081 6.180 -21.611 1.00 0.00 C ATOM 774 C HIS A 53 -5.413 5.831 -20.283 1.00 0.00 C ATOM 775 O HIS A 53 -5.039 4.685 -20.056 1.00 0.00 O ATOM 776 CB HIS A 53 -7.211 5.184 -21.899 1.00 0.00 C ATOM 777 CG HIS A 53 -7.873 5.405 -23.219 1.00 0.00 C ATOM 778 ND1 HIS A 53 -8.932 6.265 -23.392 1.00 0.00 N ATOM 779 CD2 HIS A 53 -7.595 4.899 -24.442 1.00 0.00 C ATOM 780 CE1 HIS A 53 -9.271 6.287 -24.664 1.00 0.00 C ATOM 781 NE2 HIS A 53 -8.477 5.464 -25.323 1.00 0.00 N ATOM 0 HA HIS A 53 -6.494 7.186 -21.537 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.810 4.171 -21.867 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.959 5.256 -21.109 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.822 4.183 -24.679 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.065 6.879 -25.095 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.515 5.279 -26.325 1.00 0.00 H new ATOM 790 N ASN A 54 -5.261 6.818 -19.415 1.00 0.00 N ATOM 791 CA ASN A 54 -4.717 6.586 -18.081 1.00 0.00 C ATOM 792 C ASN A 54 -5.854 6.311 -17.114 1.00 0.00 C ATOM 793 O ASN A 54 -6.591 7.222 -16.754 1.00 0.00 O ATOM 794 CB ASN A 54 -3.936 7.808 -17.601 1.00 0.00 C ATOM 795 CG ASN A 54 -3.277 7.594 -16.247 1.00 0.00 C ATOM 796 OD1 ASN A 54 -2.138 7.146 -16.166 1.00 0.00 O ATOM 797 ND2 ASN A 54 -3.993 7.911 -15.175 1.00 0.00 N ATOM 0 H ASN A 54 -5.506 7.789 -19.608 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.044 5.729 -18.122 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.171 8.056 -18.337 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.610 8.663 -17.541 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.599 7.784 -14.243 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.937 8.281 -15.284 1.00 0.00 H new ATOM 804 N GLN A 55 -6.000 5.071 -16.697 1.00 0.00 N ATOM 805 CA GLN A 55 -7.126 4.706 -15.861 1.00 0.00 C ATOM 806 C GLN A 55 -6.680 4.457 -14.420 1.00 0.00 C ATOM 807 O GLN A 55 -5.933 3.521 -14.131 1.00 0.00 O ATOM 808 CB GLN A 55 -7.838 3.472 -16.437 1.00 0.00 C ATOM 809 CG GLN A 55 -6.959 2.230 -16.537 1.00 0.00 C ATOM 810 CD GLN A 55 -7.646 1.079 -17.245 1.00 0.00 C ATOM 811 OE1 GLN A 55 -8.871 0.958 -17.226 1.00 0.00 O ATOM 812 NE2 GLN A 55 -6.860 0.202 -17.845 1.00 0.00 N ATOM 0 H GLN A 55 -5.362 4.307 -16.919 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.831 5.537 -15.850 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.702 3.242 -15.814 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.217 3.716 -17.430 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.041 2.482 -17.069 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.670 1.913 -15.535 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.849 0.336 -17.840 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.265 -0.609 -18.313 1.00 0.00 H new ATOM 821 N CYS A 56 -7.125 5.311 -13.513 1.00 0.00 N ATOM 822 CA CYS A 56 -6.863 5.104 -12.100 1.00 0.00 C ATOM 823 C CYS A 56 -8.094 4.493 -11.449 1.00 0.00 C ATOM 824 O CYS A 56 -8.982 5.199 -10.969 1.00 0.00 O ATOM 825 CB CYS A 56 -6.478 6.415 -11.408 1.00 0.00 C ATOM 826 SG CYS A 56 -6.009 6.219 -9.672 1.00 0.00 S ATOM 0 H CYS A 56 -7.666 6.149 -13.729 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.019 4.422 -11.993 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.648 6.870 -11.949 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.317 7.108 -11.471 1.00 0.00 H new ATOM 0 HG CYS A 56 -5.699 7.379 -9.173 1.00 0.00 H new ATOM 832 N LYS A 57 -8.153 3.172 -11.456 1.00 0.00 N ATOM 833 CA LYS A 57 -9.348 2.465 -11.030 1.00 0.00 C ATOM 834 C LYS A 57 -9.211 1.946 -9.608 1.00 0.00 C ATOM 835 O LYS A 57 -9.893 1.000 -9.217 1.00 0.00 O ATOM 836 CB LYS A 57 -9.639 1.316 -11.991 1.00 0.00 C ATOM 837 CG LYS A 57 -9.998 1.784 -13.393 1.00 0.00 C ATOM 838 CD LYS A 57 -10.303 0.618 -14.318 1.00 0.00 C ATOM 839 CE LYS A 57 -11.437 -0.240 -13.784 1.00 0.00 C ATOM 840 NZ LYS A 57 -11.856 -1.273 -14.771 1.00 0.00 N ATOM 0 H LYS A 57 -7.387 2.568 -11.752 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.182 3.167 -11.044 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.766 0.666 -12.044 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.459 0.717 -11.594 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.863 2.445 -13.345 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.174 2.367 -13.803 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.567 0.996 -15.306 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.409 0.006 -14.439 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.122 -0.725 -12.860 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.288 0.394 -13.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.632 -1.840 -14.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.180 -0.809 -15.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.050 -1.893 -14.988 1.00 0.00 H new ATOM 854 N LEU A 58 -8.344 2.576 -8.832 1.00 0.00 N ATOM 855 CA LEU A 58 -8.198 2.215 -7.436 1.00 0.00 C ATOM 856 C LEU A 58 -9.398 2.739 -6.659 1.00 0.00 C ATOM 857 O LEU A 58 -10.033 2.012 -5.895 1.00 0.00 O ATOM 858 CB LEU A 58 -6.900 2.775 -6.858 1.00 0.00 C ATOM 859 CG LEU A 58 -6.465 2.127 -5.546 1.00 0.00 C ATOM 860 CD1 LEU A 58 -6.236 0.641 -5.757 1.00 0.00 C ATOM 861 CD2 LEU A 58 -5.208 2.789 -5.006 1.00 0.00 C ATOM 0 H LEU A 58 -7.736 3.334 -9.144 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.154 1.129 -7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.105 2.649 -7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.020 3.847 -6.698 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.258 2.263 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.926 0.184 -4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.160 0.175 -6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.457 0.496 -6.506 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.918 2.310 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.402 2.686 -5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.402 3.847 -4.827 1.00 0.00 H new ATOM 873 N CYS A 59 -9.712 4.005 -6.876 1.00 0.00 N ATOM 874 CA CYS A 59 -10.902 4.604 -6.301 1.00 0.00 C ATOM 875 C CYS A 59 -11.878 5.000 -7.408 1.00 0.00 C ATOM 876 O CYS A 59 -13.042 4.600 -7.392 1.00 0.00 O ATOM 877 CB CYS A 59 -10.529 5.813 -5.439 1.00 0.00 C ATOM 878 SG CYS A 59 -9.410 6.987 -6.244 1.00 0.00 S ATOM 0 H CYS A 59 -9.156 4.639 -7.449 1.00 0.00 H new ATOM 0 HA CYS A 59 -11.391 3.872 -5.659 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.442 6.336 -5.154 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.064 5.459 -4.519 1.00 0.00 H new ATOM 0 HG CYS A 59 -9.395 8.101 -5.574 1.00 0.00 H new ATOM 884 N GLY A 60 -11.389 5.765 -8.378 1.00 0.00 N ATOM 885 CA GLY A 60 -12.217 6.165 -9.499 1.00 0.00 C ATOM 886 C GLY A 60 -11.764 7.474 -10.113 1.00 0.00 C ATOM 887 O GLY A 60 -12.454 8.489 -10.002 1.00 0.00 O ATOM 0 H GLY A 60 -10.432 6.116 -8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.197 5.384 -10.259 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.251 6.261 -9.168 1.00 0.00 H new ATOM 891 N ALA A 61 -10.607 7.456 -10.762 1.00 0.00 N ATOM 892 CA ALA A 61 -10.070 8.648 -11.404 1.00 0.00 C ATOM 893 C ALA A 61 -9.947 8.437 -12.909 1.00 0.00 C ATOM 894 O ALA A 61 -9.896 7.299 -13.381 1.00 0.00 O ATOM 895 CB ALA A 61 -8.725 9.024 -10.799 1.00 0.00 C ATOM 0 H ALA A 61 -10.021 6.626 -10.858 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.762 9.472 -11.231 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.341 9.917 -11.292 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.848 9.222 -9.734 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.022 8.203 -10.937 1.00 0.00 H new ATOM 901 N SER A 62 -9.891 9.532 -13.650 1.00 0.00 N ATOM 902 CA SER A 62 -9.888 9.481 -15.104 1.00 0.00 C ATOM 903 C SER A 62 -8.473 9.648 -15.667 1.00 0.00 C ATOM 904 O SER A 62 -7.486 9.624 -14.927 1.00 0.00 O ATOM 905 CB SER A 62 -10.794 10.586 -15.651 1.00 0.00 C ATOM 906 OG SER A 62 -12.084 10.531 -15.065 1.00 0.00 O ATOM 0 H SER A 62 -9.847 10.475 -13.264 1.00 0.00 H new ATOM 0 HA SER A 62 -10.259 8.504 -15.413 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.344 11.559 -15.454 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.879 10.487 -16.733 1.00 0.00 H new ATOM 0 HG SER A 62 -12.641 11.249 -15.432 1.00 0.00 H new ATOM 912 N VAL A 63 -8.392 9.823 -16.982 1.00 0.00 N ATOM 913 CA VAL A 63 -7.120 10.038 -17.658 1.00 0.00 C ATOM 914 C VAL A 63 -6.853 11.528 -17.870 1.00 0.00 C ATOM 915 O VAL A 63 -7.621 12.225 -18.526 1.00 0.00 O ATOM 916 CB VAL A 63 -7.080 9.308 -19.026 1.00 0.00 C ATOM 917 CG1 VAL A 63 -8.380 9.488 -19.785 1.00 0.00 C ATOM 918 CG2 VAL A 63 -5.909 9.800 -19.872 1.00 0.00 C ATOM 0 H VAL A 63 -9.200 9.820 -17.604 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.342 9.626 -17.015 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.945 8.245 -18.824 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.320 8.965 -20.739 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.203 9.080 -19.199 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.553 10.549 -19.964 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.903 9.273 -20.826 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.013 10.870 -20.049 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.974 9.608 -19.346 1.00 0.00 H new ATOM 928 N PRO A 64 -5.750 12.027 -17.291 1.00 0.00 N ATOM 929 CA PRO A 64 -5.342 13.421 -17.416 1.00 0.00 C ATOM 930 C PRO A 64 -4.462 13.680 -18.638 1.00 0.00 C ATOM 931 O PRO A 64 -3.924 14.776 -18.796 1.00 0.00 O ATOM 932 CB PRO A 64 -4.553 13.645 -16.132 1.00 0.00 C ATOM 933 CG PRO A 64 -3.912 12.328 -15.852 1.00 0.00 C ATOM 934 CD PRO A 64 -4.819 11.268 -16.433 1.00 0.00 C ATOM 0 HA PRO A 64 -6.192 14.089 -17.551 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.808 14.431 -16.256 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.205 13.951 -15.314 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.921 12.277 -16.302 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.783 12.181 -14.780 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.256 10.532 -17.008 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.350 10.724 -15.651 1.00 0.00 H new ATOM 942 N TRP A 65 -4.293 12.663 -19.485 1.00 0.00 N ATOM 943 CA TRP A 65 -3.482 12.805 -20.694 1.00 0.00 C ATOM 944 C TRP A 65 -4.255 13.614 -21.752 1.00 0.00 C ATOM 945 O TRP A 65 -5.078 14.459 -21.406 1.00 0.00 O ATOM 946 CB TRP A 65 -3.082 11.415 -21.222 1.00 0.00 C ATOM 947 CG TRP A 65 -1.955 11.445 -22.216 1.00 0.00 C ATOM 948 CD1 TRP A 65 -1.989 10.991 -23.503 1.00 0.00 C ATOM 949 CD2 TRP A 65 -0.640 11.973 -22.009 1.00 0.00 C ATOM 950 NE1 TRP A 65 -0.778 11.202 -24.109 1.00 0.00 N ATOM 951 CE2 TRP A 65 0.071 11.801 -23.215 1.00 0.00 C ATOM 952 CE3 TRP A 65 0.010 12.572 -20.925 1.00 0.00 C ATOM 953 CZ2 TRP A 65 1.395 12.208 -23.363 1.00 0.00 C ATOM 954 CZ3 TRP A 65 1.323 12.975 -21.073 1.00 0.00 C ATOM 955 CH2 TRP A 65 2.004 12.792 -22.285 1.00 0.00 C ATOM 0 H TRP A 65 -4.704 11.738 -19.357 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.567 13.350 -20.460 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -2.795 10.786 -20.380 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.951 10.949 -21.686 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -2.845 10.532 -23.975 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -0.546 10.953 -25.071 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.506 12.717 -19.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.922 12.068 -24.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 1.833 13.439 -20.242 1.00 0.00 H new ATOM 0 HH2 TRP A 65 3.030 13.118 -22.370 1.00 0.00 H new ATOM 966 N LEU A 66 -3.986 13.368 -23.031 1.00 0.00 N ATOM 967 CA LEU A 66 -4.643 14.097 -24.113 1.00 0.00 C ATOM 968 C LEU A 66 -6.086 13.624 -24.289 1.00 0.00 C ATOM 969 O LEU A 66 -6.447 13.030 -25.305 1.00 0.00 O ATOM 970 CB LEU A 66 -3.859 13.935 -25.419 1.00 0.00 C ATOM 971 CG LEU A 66 -2.406 14.415 -25.365 1.00 0.00 C ATOM 972 CD1 LEU A 66 -1.723 14.214 -26.707 1.00 0.00 C ATOM 973 CD2 LEU A 66 -2.343 15.879 -24.955 1.00 0.00 C ATOM 0 H LEU A 66 -3.315 12.667 -23.345 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.663 15.155 -23.850 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.868 12.883 -25.702 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.377 14.482 -26.207 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.879 13.821 -24.618 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.692 14.562 -26.646 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.734 13.155 -26.966 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.252 14.781 -27.473 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.303 16.203 -24.922 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.889 16.484 -25.680 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.792 16.000 -23.969 1.00 0.00 H new ATOM 985 N GLN A 67 -6.885 13.886 -23.272 1.00 0.00 N ATOM 986 CA GLN A 67 -8.286 13.513 -23.237 1.00 0.00 C ATOM 987 C GLN A 67 -8.943 14.302 -22.112 1.00 0.00 C ATOM 988 O GLN A 67 -8.277 14.647 -21.134 1.00 0.00 O ATOM 989 CB GLN A 67 -8.427 12.005 -22.984 1.00 0.00 C ATOM 990 CG GLN A 67 -9.854 11.485 -23.077 1.00 0.00 C ATOM 991 CD GLN A 67 -10.412 11.538 -24.486 1.00 0.00 C ATOM 992 OE1 GLN A 67 -9.681 11.406 -25.470 1.00 0.00 O ATOM 993 NE2 GLN A 67 -11.714 11.742 -24.595 1.00 0.00 N ATOM 0 H GLN A 67 -6.573 14.373 -22.432 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.766 13.737 -24.190 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.810 11.468 -23.704 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.033 11.776 -21.994 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.884 10.456 -22.718 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.493 12.072 -22.417 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.286 11.846 -23.757 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.146 11.795 -25.517 1.00 0.00 H new ATOM 1002 N THR A 68 -10.223 14.614 -22.241 1.00 0.00 N ATOM 1003 CA THR A 68 -10.908 15.378 -21.210 1.00 0.00 C ATOM 1004 C THR A 68 -11.199 14.507 -19.987 1.00 0.00 C ATOM 1005 O THR A 68 -12.283 13.939 -19.841 1.00 0.00 O ATOM 1006 CB THR A 68 -12.207 15.996 -21.743 1.00 0.00 C ATOM 1007 OG1 THR A 68 -11.935 16.719 -22.955 1.00 0.00 O ATOM 1008 CG2 THR A 68 -12.825 16.939 -20.718 1.00 0.00 C ATOM 0 H THR A 68 -10.803 14.354 -23.039 1.00 0.00 H new ATOM 0 HA THR A 68 -10.245 16.189 -20.909 1.00 0.00 H new ATOM 0 HB THR A 68 -12.914 15.190 -21.941 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.766 17.112 -23.295 1.00 0.00 H new ATOM 0 HG21 THR A 68 -13.744 17.363 -21.122 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.050 16.387 -19.805 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.123 17.742 -20.493 1.00 0.00 H new ATOM 1016 N GLY A 69 -10.190 14.364 -19.148 1.00 0.00 N ATOM 1017 CA GLY A 69 -10.332 13.639 -17.903 1.00 0.00 C ATOM 1018 C GLY A 69 -9.460 14.222 -16.811 1.00 0.00 C ATOM 1019 O GLY A 69 -9.242 13.594 -15.777 1.00 0.00 O ATOM 0 H GLY A 69 -9.257 14.744 -19.310 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.375 13.661 -17.586 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.068 12.593 -18.059 1.00 0.00 H new ATOM 1091 N HIS A 74 -9.771 12.418 -6.292 1.00 0.00 N ATOM 1092 CA HIS A 74 -9.188 11.157 -5.836 1.00 0.00 C ATOM 1093 C HIS A 74 -10.022 10.544 -4.717 1.00 0.00 C ATOM 1094 O HIS A 74 -9.686 9.473 -4.214 1.00 0.00 O ATOM 1095 CB HIS A 74 -7.752 11.365 -5.334 1.00 0.00 C ATOM 1096 CG HIS A 74 -6.807 11.906 -6.366 1.00 0.00 C ATOM 1097 ND1 HIS A 74 -6.010 13.008 -6.145 1.00 0.00 N ATOM 1098 CD2 HIS A 74 -6.514 11.475 -7.616 1.00 0.00 C ATOM 1099 CE1 HIS A 74 -5.268 13.235 -7.215 1.00 0.00 C ATOM 1100 NE2 HIS A 74 -5.554 12.319 -8.122 1.00 0.00 N ATOM 0 HA HIS A 74 -9.176 10.479 -6.689 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.772 12.047 -4.484 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -7.366 10.413 -4.969 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -6.952 10.627 -8.121 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.550 14.034 -7.328 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.131 12.249 -9.048 1.00 0.00 H new ATOM 1109 N ALA A 75 -11.109 11.236 -4.361 1.00 0.00 N ATOM 1110 CA ALA A 75 -11.972 10.884 -3.228 1.00 0.00 C ATOM 1111 C ALA A 75 -11.317 11.297 -1.915 1.00 0.00 C ATOM 1112 O ALA A 75 -10.142 11.030 -1.680 1.00 0.00 O ATOM 1113 CB ALA A 75 -12.349 9.404 -3.221 1.00 0.00 C ATOM 0 H ALA A 75 -11.419 12.070 -4.860 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.904 11.438 -3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.988 9.195 -2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.883 9.160 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.445 8.799 -3.156 1.00 0.00 H new ATOM 1119 N ASP A 76 -12.084 11.957 -1.062 1.00 0.00 N ATOM 1120 CA ASP A 76 -11.555 12.532 0.166 1.00 0.00 C ATOM 1121 C ASP A 76 -11.339 11.458 1.224 1.00 0.00 C ATOM 1122 O ASP A 76 -10.568 11.640 2.163 1.00 0.00 O ATOM 1123 CB ASP A 76 -12.518 13.598 0.690 1.00 0.00 C ATOM 1124 CG ASP A 76 -12.839 14.654 -0.349 1.00 0.00 C ATOM 1125 OD1 ASP A 76 -12.075 15.635 -0.469 1.00 0.00 O ATOM 1126 OD2 ASP A 76 -13.860 14.503 -1.055 1.00 0.00 O ATOM 0 H ASP A 76 -13.083 12.109 -1.199 1.00 0.00 H new ATOM 0 HA ASP A 76 -10.590 12.989 -0.053 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -13.442 13.120 1.014 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.082 14.077 1.567 1.00 0.00 H new ATOM 1131 N ASP A 77 -12.024 10.337 1.062 1.00 0.00 N ATOM 1132 CA ASP A 77 -11.939 9.251 2.029 1.00 0.00 C ATOM 1133 C ASP A 77 -11.174 8.071 1.436 1.00 0.00 C ATOM 1134 O ASP A 77 -11.209 6.961 1.969 1.00 0.00 O ATOM 1135 CB ASP A 77 -13.345 8.821 2.456 1.00 0.00 C ATOM 1136 CG ASP A 77 -13.369 8.173 3.830 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -13.027 8.858 4.819 1.00 0.00 O ATOM 1138 OD2 ASP A 77 -13.753 6.989 3.939 1.00 0.00 O ATOM 0 H ASP A 77 -12.644 10.154 0.273 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.399 9.602 2.908 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -14.002 9.691 2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -13.745 8.121 1.722 1.00 0.00 H new ATOM 1143 N CYS A 78 -10.481 8.321 0.329 1.00 0.00 N ATOM 1144 CA CYS A 78 -9.695 7.281 -0.334 1.00 0.00 C ATOM 1145 C CYS A 78 -8.512 6.847 0.535 1.00 0.00 C ATOM 1146 O CYS A 78 -8.080 7.581 1.421 1.00 0.00 O ATOM 1147 CB CYS A 78 -9.180 7.793 -1.675 1.00 0.00 C ATOM 1148 SG CYS A 78 -8.020 9.167 -1.532 1.00 0.00 S ATOM 0 H CYS A 78 -10.447 9.232 -0.128 1.00 0.00 H new ATOM 0 HA CYS A 78 -10.342 6.419 -0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -8.694 6.973 -2.204 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -10.028 8.107 -2.283 1.00 0.00 H new ATOM 0 HG CYS A 78 -8.670 10.291 -1.586 1.00 0.00 H new ATOM 1154 N PRO A 79 -7.968 5.645 0.293 1.00 0.00 N ATOM 1155 CA PRO A 79 -6.825 5.129 1.049 1.00 0.00 C ATOM 1156 C PRO A 79 -5.510 5.828 0.694 1.00 0.00 C ATOM 1157 O PRO A 79 -4.601 5.906 1.522 1.00 0.00 O ATOM 1158 CB PRO A 79 -6.760 3.643 0.648 1.00 0.00 C ATOM 1159 CG PRO A 79 -8.024 3.368 -0.100 1.00 0.00 C ATOM 1160 CD PRO A 79 -8.436 4.676 -0.702 1.00 0.00 C ATOM 0 HA PRO A 79 -6.953 5.294 2.119 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.887 3.443 0.027 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.679 3.004 1.527 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -7.865 2.615 -0.872 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -8.797 2.984 0.566 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -7.973 4.838 -1.675 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.515 4.733 -0.848 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.418 6.359 -0.524 1.00 0.00 N ATOM 1169 CA VAL A 80 -4.157 6.893 -1.025 1.00 0.00 C ATOM 1170 C VAL A 80 -3.718 8.151 -0.277 1.00 0.00 C ATOM 1171 O VAL A 80 -2.524 8.390 -0.132 1.00 0.00 O ATOM 1172 CB VAL A 80 -4.204 7.175 -2.543 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -4.525 5.906 -3.314 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -5.202 8.266 -2.878 1.00 0.00 C ATOM 0 H VAL A 80 -6.198 6.430 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.417 6.114 -0.843 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.216 7.526 -2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.553 6.126 -4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.757 5.157 -3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.495 5.523 -2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.207 8.436 -3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.197 7.961 -2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.920 9.186 -2.366 1.00 0.00 H new ATOM 1184 N VAL A 81 -4.668 8.944 0.216 1.00 0.00 N ATOM 1185 CA VAL A 81 -4.324 10.157 0.953 1.00 0.00 C ATOM 1186 C VAL A 81 -3.590 9.815 2.245 1.00 0.00 C ATOM 1187 O VAL A 81 -2.616 10.472 2.608 1.00 0.00 O ATOM 1188 CB VAL A 81 -5.561 11.029 1.268 1.00 0.00 C ATOM 1189 CG1 VAL A 81 -6.107 11.657 -0.005 1.00 0.00 C ATOM 1190 CG2 VAL A 81 -6.644 10.224 1.969 1.00 0.00 C ATOM 0 H VAL A 81 -5.669 8.771 0.120 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.667 10.738 0.306 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.245 11.823 1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.978 12.268 0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.339 12.283 -0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.396 10.871 -0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.499 10.867 2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.957 9.399 1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.253 9.827 2.906 1.00 0.00 H new ATOM 1200 N ILE A 82 -4.045 8.765 2.916 1.00 0.00 N ATOM 1201 CA ILE A 82 -3.410 8.301 4.142 1.00 0.00 C ATOM 1202 C ILE A 82 -2.035 7.723 3.832 1.00 0.00 C ATOM 1203 O ILE A 82 -1.056 8.022 4.512 1.00 0.00 O ATOM 1204 CB ILE A 82 -4.270 7.235 4.859 1.00 0.00 C ATOM 1205 CG1 ILE A 82 -5.663 7.796 5.175 1.00 0.00 C ATOM 1206 CG2 ILE A 82 -3.585 6.752 6.133 1.00 0.00 C ATOM 1207 CD1 ILE A 82 -5.637 9.044 6.033 1.00 0.00 C ATOM 0 H ILE A 82 -4.856 8.216 2.630 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.307 9.159 4.807 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.383 6.381 4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.176 8.020 4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.247 7.029 5.683 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.209 6.003 6.620 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.619 6.313 5.883 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.436 7.595 6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.657 9.382 6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.154 8.821 6.984 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.081 9.828 5.518 1.00 0.00 H new ATOM 1219 N ALA A 83 -1.970 6.910 2.781 1.00 0.00 N ATOM 1220 CA ALA A 83 -0.715 6.297 2.359 1.00 0.00 C ATOM 1221 C ALA A 83 0.313 7.360 1.987 1.00 0.00 C ATOM 1222 O ALA A 83 1.495 7.231 2.307 1.00 0.00 O ATOM 1223 CB ALA A 83 -0.957 5.361 1.184 1.00 0.00 C ATOM 0 H ALA A 83 -2.774 6.660 2.205 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.319 5.720 3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.013 4.910 0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.655 4.578 1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.377 5.924 0.351 1.00 0.00 H new ATOM 1229 N LYS A 84 -0.156 8.416 1.331 1.00 0.00 N ATOM 1230 CA LYS A 84 0.707 9.513 0.904 1.00 0.00 C ATOM 1231 C LYS A 84 1.316 10.217 2.116 1.00 0.00 C ATOM 1232 O LYS A 84 2.473 10.635 2.088 1.00 0.00 O ATOM 1233 CB LYS A 84 -0.097 10.510 0.066 1.00 0.00 C ATOM 1234 CG LYS A 84 0.750 11.393 -0.837 1.00 0.00 C ATOM 1235 CD LYS A 84 -0.122 12.359 -1.622 1.00 0.00 C ATOM 1236 CE LYS A 84 0.663 13.091 -2.702 1.00 0.00 C ATOM 1237 NZ LYS A 84 1.830 13.828 -2.149 1.00 0.00 N ATOM 0 H LYS A 84 -1.138 8.536 1.081 1.00 0.00 H new ATOM 0 HA LYS A 84 1.516 9.107 0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.810 9.959 -0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.677 11.145 0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.469 11.951 -0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.323 10.772 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.946 11.812 -2.081 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.563 13.086 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.009 12.374 -3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.004 13.791 -3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.263 14.405 -2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.515 14.446 -1.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.530 13.149 -1.787 1.00 0.00 H new ATOM 1251 N GLN A 85 0.525 10.343 3.177 1.00 0.00 N ATOM 1252 CA GLN A 85 0.986 10.929 4.425 1.00 0.00 C ATOM 1253 C GLN A 85 2.036 10.044 5.091 1.00 0.00 C ATOM 1254 O GLN A 85 3.004 10.536 5.673 1.00 0.00 O ATOM 1255 CB GLN A 85 -0.200 11.129 5.365 1.00 0.00 C ATOM 1256 CG GLN A 85 -1.146 12.239 4.936 1.00 0.00 C ATOM 1257 CD GLN A 85 -2.379 12.327 5.813 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -2.345 11.987 6.997 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -3.474 12.800 5.238 1.00 0.00 N ATOM 0 H GLN A 85 -0.449 10.042 3.193 1.00 0.00 H new ATOM 0 HA GLN A 85 1.445 11.893 4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.758 10.195 5.433 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.174 11.350 6.364 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -0.617 13.192 4.962 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.451 12.072 3.903 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.458 13.070 4.254 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.334 12.895 5.779 1.00 0.00 H new ATOM 1268 N ILE A 86 1.841 8.737 4.999 1.00 0.00 N ATOM 1269 CA ILE A 86 2.757 7.784 5.605 1.00 0.00 C ATOM 1270 C ILE A 86 4.095 7.747 4.868 1.00 0.00 C ATOM 1271 O ILE A 86 5.154 7.723 5.497 1.00 0.00 O ATOM 1272 CB ILE A 86 2.149 6.362 5.642 1.00 0.00 C ATOM 1273 CG1 ILE A 86 0.846 6.366 6.448 1.00 0.00 C ATOM 1274 CG2 ILE A 86 3.138 5.363 6.234 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.145 5.025 6.483 1.00 0.00 C ATOM 0 H ILE A 86 1.054 8.312 4.509 1.00 0.00 H new ATOM 0 HA ILE A 86 2.929 8.121 6.627 1.00 0.00 H new ATOM 0 HB ILE A 86 1.930 6.055 4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.063 6.679 7.469 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.170 7.108 6.024 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.687 4.371 6.249 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.042 5.342 5.625 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.392 5.662 7.251 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.769 5.107 7.072 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.104 4.718 5.467 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.802 4.282 6.935 1.00 0.00 H new ATOM 1287 N LEU A 87 4.047 7.772 3.536 1.00 0.00 N ATOM 1288 CA LEU A 87 5.255 7.611 2.727 1.00 0.00 C ATOM 1289 C LEU A 87 6.138 8.859 2.755 1.00 0.00 C ATOM 1290 O LEU A 87 7.318 8.793 2.401 1.00 0.00 O ATOM 1291 CB LEU A 87 4.906 7.208 1.280 1.00 0.00 C ATOM 1292 CG LEU A 87 3.979 8.154 0.503 1.00 0.00 C ATOM 1293 CD1 LEU A 87 4.739 9.354 -0.051 1.00 0.00 C ATOM 1294 CD2 LEU A 87 3.290 7.402 -0.622 1.00 0.00 C ATOM 0 H LEU A 87 3.191 7.901 2.997 1.00 0.00 H new ATOM 0 HA LEU A 87 5.833 6.802 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.836 7.109 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.442 6.222 1.304 1.00 0.00 H new ATOM 0 HG LEU A 87 3.227 8.530 1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.051 10.001 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.188 9.911 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.522 9.009 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.635 8.082 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.040 6.998 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.700 6.585 -0.206 1.00 0.00 H new ATOM 1306 N SER A 88 5.580 9.994 3.167 1.00 0.00 N ATOM 1307 CA SER A 88 6.369 11.208 3.308 1.00 0.00 C ATOM 1308 C SER A 88 7.173 11.172 4.605 1.00 0.00 C ATOM 1309 O SER A 88 8.283 11.704 4.672 1.00 0.00 O ATOM 1310 CB SER A 88 5.464 12.444 3.246 1.00 0.00 C ATOM 1311 OG SER A 88 4.233 12.219 3.910 1.00 0.00 O ATOM 0 H SER A 88 4.594 10.096 3.406 1.00 0.00 H new ATOM 0 HA SER A 88 7.074 11.268 2.479 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.974 13.293 3.701 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.275 12.706 2.205 1.00 0.00 H new ATOM 0 HG SER A 88 3.604 11.785 3.296 1.00 0.00 H new ATOM 1317 N SER A 89 6.597 10.533 5.624 1.00 0.00 N ATOM 1318 CA SER A 89 7.273 10.308 6.900 1.00 0.00 C ATOM 1319 C SER A 89 7.621 11.617 7.614 1.00 0.00 C ATOM 1320 O SER A 89 7.241 12.700 7.161 1.00 0.00 O ATOM 1321 CB SER A 89 8.532 9.466 6.680 1.00 0.00 C ATOM 1322 OG SER A 89 8.203 8.212 6.103 1.00 0.00 O ATOM 0 H SER A 89 5.649 10.157 5.587 1.00 0.00 H new ATOM 0 HA SER A 89 6.582 9.768 7.548 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.224 10.001 6.029 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.043 9.312 7.630 1.00 0.00 H new ATOM 0 HG SER A 89 7.546 7.754 6.668 1.00 0.00 H new ATOM 1328 N ARG A 90 8.341 11.492 8.738 1.00 0.00 N ATOM 1329 CA ARG A 90 8.749 12.635 9.561 1.00 0.00 C ATOM 1330 C ARG A 90 7.568 13.280 10.287 1.00 0.00 C ATOM 1331 O ARG A 90 6.420 13.199 9.844 1.00 0.00 O ATOM 1332 CB ARG A 90 9.472 13.696 8.722 1.00 0.00 C ATOM 1333 CG ARG A 90 10.886 13.317 8.323 1.00 0.00 C ATOM 1334 CD ARG A 90 11.540 14.430 7.523 1.00 0.00 C ATOM 1335 NE ARG A 90 11.418 15.730 8.191 1.00 0.00 N ATOM 1336 CZ ARG A 90 11.647 16.899 7.596 1.00 0.00 C ATOM 1337 NH1 ARG A 90 12.016 16.937 6.322 1.00 0.00 N ATOM 1338 NH2 ARG A 90 11.487 18.032 8.274 1.00 0.00 N ATOM 0 H ARG A 90 8.657 10.593 9.101 1.00 0.00 H new ATOM 0 HA ARG A 90 9.434 12.240 10.311 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.891 13.887 7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.503 14.629 9.285 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.477 13.110 9.215 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.868 12.401 7.732 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.594 14.197 7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.081 14.485 6.536 1.00 0.00 H new ATOM 0 HE ARG A 90 11.140 15.739 9.172 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.125 16.070 5.796 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.191 17.834 5.868 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.189 18.005 9.249 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.662 18.928 7.819 1.00 0.00 H new ATOM 1710 N TYR B 18 4.110 7.821 15.592 1.00 0.00 N ATOM 1711 CA TYR B 18 4.668 7.427 14.308 1.00 0.00 C ATOM 1712 C TYR B 18 5.755 6.389 14.511 1.00 0.00 C ATOM 1713 O TYR B 18 6.955 6.681 14.489 1.00 0.00 O ATOM 1714 CB TYR B 18 5.180 8.624 13.533 1.00 0.00 C ATOM 1715 CG TYR B 18 5.510 8.321 12.085 1.00 0.00 C ATOM 1716 CD1 TYR B 18 4.515 7.900 11.210 1.00 0.00 C ATOM 1717 CD2 TYR B 18 6.805 8.447 11.594 1.00 0.00 C ATOM 1718 CE1 TYR B 18 4.800 7.613 9.889 1.00 0.00 C ATOM 1719 CE2 TYR B 18 7.095 8.163 10.271 1.00 0.00 C ATOM 1720 CZ TYR B 18 6.089 7.745 9.425 1.00 0.00 C ATOM 1721 OH TYR B 18 6.372 7.460 8.107 1.00 0.00 O ATOM 0 HA TYR B 18 3.873 6.981 13.710 1.00 0.00 H new ATOM 0 HB2 TYR B 18 4.430 9.415 13.567 1.00 0.00 H new ATOM 0 HB3 TYR B 18 6.072 9.009 14.026 1.00 0.00 H new ATOM 0 HD1 TYR B 18 3.502 7.796 11.569 1.00 0.00 H new ATOM 0 HD2 TYR B 18 7.596 8.771 12.255 1.00 0.00 H new ATOM 0 HE1 TYR B 18 4.015 7.286 9.223 1.00 0.00 H new ATOM 0 HE2 TYR B 18 8.105 8.268 9.902 1.00 0.00 H new ATOM 0 HH TYR B 18 5.629 7.757 7.541 1.00 0.00 H new ATOM 1731 N PHE B 19 5.284 5.179 14.740 1.00 0.00 N ATOM 1732 CA PHE B 19 6.125 4.025 15.043 1.00 0.00 C ATOM 1733 C PHE B 19 6.766 4.158 16.422 1.00 0.00 C ATOM 1734 O PHE B 19 6.563 5.162 17.112 1.00 0.00 O ATOM 1735 CB PHE B 19 7.171 3.800 13.949 1.00 0.00 C ATOM 1736 CG PHE B 19 6.545 3.418 12.639 1.00 0.00 C ATOM 1737 CD1 PHE B 19 6.278 2.090 12.350 1.00 0.00 C ATOM 1738 CD2 PHE B 19 6.194 4.386 11.712 1.00 0.00 C ATOM 1739 CE1 PHE B 19 5.673 1.737 11.163 1.00 0.00 C ATOM 1740 CE2 PHE B 19 5.593 4.036 10.522 1.00 0.00 C ATOM 1741 CZ PHE B 19 5.330 2.710 10.248 1.00 0.00 C ATOM 0 H PHE B 19 4.288 4.960 14.722 1.00 0.00 H new ATOM 0 HA PHE B 19 5.487 3.141 15.066 1.00 0.00 H new ATOM 0 HB2 PHE B 19 7.759 4.708 13.818 1.00 0.00 H new ATOM 0 HB3 PHE B 19 7.861 3.016 14.263 1.00 0.00 H new ATOM 0 HD1 PHE B 19 6.547 1.323 13.062 1.00 0.00 H new ATOM 0 HD2 PHE B 19 6.393 5.426 11.924 1.00 0.00 H new ATOM 0 HE1 PHE B 19 5.468 0.698 10.950 1.00 0.00 H new ATOM 0 HE2 PHE B 19 5.328 4.799 9.805 1.00 0.00 H new ATOM 0 HZ PHE B 19 4.856 2.434 9.318 1.00 0.00 H new ATOM 1751 N GLN B 20 7.543 3.140 16.809 1.00 0.00 N ATOM 1752 CA GLN B 20 7.998 2.957 18.185 1.00 0.00 C ATOM 1753 C GLN B 20 6.802 2.691 19.099 1.00 0.00 C ATOM 1754 O GLN B 20 6.685 1.618 19.691 1.00 0.00 O ATOM 1755 CB GLN B 20 8.810 4.151 18.674 1.00 0.00 C ATOM 1756 CG GLN B 20 10.059 4.408 17.850 1.00 0.00 C ATOM 1757 CD GLN B 20 10.873 5.580 18.355 1.00 0.00 C ATOM 1758 OE1 GLN B 20 10.895 5.879 19.552 1.00 0.00 O ATOM 1759 NE2 GLN B 20 11.543 6.262 17.441 1.00 0.00 N ATOM 0 H GLN B 20 7.874 2.417 16.170 1.00 0.00 H new ATOM 0 HA GLN B 20 8.660 2.091 18.212 1.00 0.00 H new ATOM 0 HB2 GLN B 20 8.181 5.041 18.655 1.00 0.00 H new ATOM 0 HB3 GLN B 20 9.096 3.986 19.713 1.00 0.00 H new ATOM 0 HG2 GLN B 20 10.681 3.513 17.855 1.00 0.00 H new ATOM 0 HG3 GLN B 20 9.772 4.592 16.815 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.498 5.982 16.461 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.104 7.068 17.716 1.00 0.00 H new ATOM 1768 N GLY B 21 5.911 3.664 19.190 1.00 0.00 N ATOM 1769 CA GLY B 21 4.648 3.463 19.863 1.00 0.00 C ATOM 1770 C GLY B 21 3.534 3.266 18.856 1.00 0.00 C ATOM 1771 O GLY B 21 2.891 4.228 18.437 1.00 0.00 O ATOM 0 H GLY B 21 6.043 4.599 18.805 1.00 0.00 H new ATOM 0 HA2 GLY B 21 4.712 2.593 20.517 1.00 0.00 H new ATOM 0 HA3 GLY B 21 4.426 4.322 20.496 1.00 0.00 H new ATOM 1775 N MET B 22 3.333 2.020 18.440 1.00 0.00 N ATOM 1776 CA MET B 22 2.341 1.698 17.420 1.00 0.00 C ATOM 1777 C MET B 22 1.530 0.487 17.864 1.00 0.00 C ATOM 1778 O MET B 22 2.094 -0.564 18.176 1.00 0.00 O ATOM 1779 CB MET B 22 3.034 1.409 16.084 1.00 0.00 C ATOM 1780 CG MET B 22 2.245 1.858 14.866 1.00 0.00 C ATOM 1781 SD MET B 22 2.218 3.652 14.697 1.00 0.00 S ATOM 1782 CE MET B 22 1.329 3.837 13.154 1.00 0.00 C ATOM 0 H MET B 22 3.846 1.213 18.795 1.00 0.00 H new ATOM 0 HA MET B 22 1.672 2.548 17.287 1.00 0.00 H new ATOM 0 HB2 MET B 22 4.006 1.903 16.077 1.00 0.00 H new ATOM 0 HB3 MET B 22 3.221 0.338 16.008 1.00 0.00 H new ATOM 0 HG2 MET B 22 2.681 1.417 13.970 1.00 0.00 H new ATOM 0 HG3 MET B 22 1.223 1.486 14.940 1.00 0.00 H new ATOM 0 HE1 MET B 22 1.738 4.680 12.597 1.00 0.00 H new ATOM 0 HE2 MET B 22 1.433 2.927 12.563 1.00 0.00 H new ATOM 0 HE3 MET B 22 0.274 4.017 13.361 1.00 0.00 H new ATOM 1792 N THR B 23 0.213 0.626 17.888 1.00 0.00 N ATOM 1793 CA THR B 23 -0.644 -0.404 18.457 1.00 0.00 C ATOM 1794 C THR B 23 -1.703 -0.899 17.455 1.00 0.00 C ATOM 1795 O THR B 23 -1.670 -0.546 16.272 1.00 0.00 O ATOM 1796 CB THR B 23 -1.318 0.114 19.752 1.00 0.00 C ATOM 1797 OG1 THR B 23 -2.072 -0.927 20.388 1.00 0.00 O ATOM 1798 CG2 THR B 23 -2.224 1.301 19.456 1.00 0.00 C ATOM 0 H THR B 23 -0.284 1.438 17.522 1.00 0.00 H new ATOM 0 HA THR B 23 -0.011 -1.257 18.701 1.00 0.00 H new ATOM 0 HB THR B 23 -0.527 0.437 20.429 1.00 0.00 H new ATOM 0 HG1 THR B 23 -3.024 -0.695 20.377 1.00 0.00 H new ATOM 0 HG21 THR B 23 -2.685 1.646 20.381 1.00 0.00 H new ATOM 0 HG22 THR B 23 -1.635 2.109 19.021 1.00 0.00 H new ATOM 0 HG23 THR B 23 -3.001 0.999 18.754 1.00 0.00 H new ATOM 1806 N ASP B 24 -2.635 -1.706 17.963 1.00 0.00 N ATOM 1807 CA ASP B 24 -3.650 -2.411 17.173 1.00 0.00 C ATOM 1808 C ASP B 24 -4.390 -1.522 16.176 1.00 0.00 C ATOM 1809 O ASP B 24 -4.428 -1.822 14.985 1.00 0.00 O ATOM 1810 CB ASP B 24 -4.669 -3.057 18.122 1.00 0.00 C ATOM 1811 CG ASP B 24 -5.980 -3.415 17.442 1.00 0.00 C ATOM 1812 OD1 ASP B 24 -6.055 -4.478 16.795 1.00 0.00 O ATOM 1813 OD2 ASP B 24 -6.946 -2.631 17.561 1.00 0.00 O ATOM 0 H ASP B 24 -2.708 -1.894 18.963 1.00 0.00 H new ATOM 0 HA ASP B 24 -3.118 -3.159 16.586 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -4.233 -3.958 18.553 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -4.870 -2.374 18.947 1.00 0.00 H new ATOM 1818 N THR B 25 -4.968 -0.433 16.657 1.00 0.00 N ATOM 1819 CA THR B 25 -5.897 0.357 15.856 1.00 0.00 C ATOM 1820 C THR B 25 -5.202 1.116 14.717 1.00 0.00 C ATOM 1821 O THR B 25 -5.852 1.796 13.927 1.00 0.00 O ATOM 1822 CB THR B 25 -6.670 1.331 16.758 1.00 0.00 C ATOM 1823 OG1 THR B 25 -6.906 0.699 18.024 1.00 0.00 O ATOM 1824 CG2 THR B 25 -8.005 1.718 16.136 1.00 0.00 C ATOM 0 H THR B 25 -4.812 -0.074 17.599 1.00 0.00 H new ATOM 0 HA THR B 25 -6.593 -0.340 15.388 1.00 0.00 H new ATOM 0 HB THR B 25 -6.076 2.237 16.883 1.00 0.00 H new ATOM 0 HG1 THR B 25 -7.398 1.312 18.609 1.00 0.00 H new ATOM 0 HG21 THR B 25 -8.528 2.408 16.798 1.00 0.00 H new ATOM 0 HG22 THR B 25 -7.832 2.199 15.173 1.00 0.00 H new ATOM 0 HG23 THR B 25 -8.611 0.824 15.991 1.00 0.00 H new ATOM 1832 N ALA B 26 -3.885 0.987 14.624 1.00 0.00 N ATOM 1833 CA ALA B 26 -3.152 1.551 13.499 1.00 0.00 C ATOM 1834 C ALA B 26 -3.264 0.632 12.295 1.00 0.00 C ATOM 1835 O ALA B 26 -3.128 1.061 11.151 1.00 0.00 O ATOM 1836 CB ALA B 26 -1.697 1.784 13.866 1.00 0.00 C ATOM 0 H ALA B 26 -3.306 0.501 15.309 1.00 0.00 H new ATOM 0 HA ALA B 26 -3.590 2.516 13.244 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -1.169 2.206 13.011 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -1.640 2.477 14.705 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -1.236 0.837 14.146 1.00 0.00 H new ATOM 1842 N ALA B 27 -3.536 -0.638 12.566 1.00 0.00 N ATOM 1843 CA ALA B 27 -3.729 -1.620 11.517 1.00 0.00 C ATOM 1844 C ALA B 27 -4.991 -1.317 10.728 1.00 0.00 C ATOM 1845 O ALA B 27 -5.098 -1.686 9.564 1.00 0.00 O ATOM 1846 CB ALA B 27 -3.787 -3.019 12.100 1.00 0.00 C ATOM 0 H ALA B 27 -3.628 -1.010 13.511 1.00 0.00 H new ATOM 0 HA ALA B 27 -2.879 -1.567 10.837 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -3.932 -3.742 11.297 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -2.853 -3.236 12.619 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -4.617 -3.086 12.803 1.00 0.00 H new ATOM 1852 N GLU B 28 -5.944 -0.652 11.376 1.00 0.00 N ATOM 1853 CA GLU B 28 -7.215 -0.312 10.748 1.00 0.00 C ATOM 1854 C GLU B 28 -6.995 0.395 9.411 1.00 0.00 C ATOM 1855 O GLU B 28 -7.527 -0.028 8.381 1.00 0.00 O ATOM 1856 CB GLU B 28 -8.032 0.579 11.681 1.00 0.00 C ATOM 1857 CG GLU B 28 -9.455 0.823 11.203 1.00 0.00 C ATOM 1858 CD GLU B 28 -10.286 -0.442 11.168 1.00 0.00 C ATOM 1859 OE1 GLU B 28 -10.869 -0.797 12.207 1.00 0.00 O ATOM 1860 OE2 GLU B 28 -10.374 -1.080 10.094 1.00 0.00 O ATOM 0 H GLU B 28 -5.858 -0.337 12.342 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.761 -1.236 10.558 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -8.064 0.122 12.670 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -7.525 1.538 11.789 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -9.934 1.549 11.859 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -9.428 1.263 10.206 1.00 0.00 H new ATOM 1867 N ASP B 29 -6.196 1.458 9.431 1.00 0.00 N ATOM 1868 CA ASP B 29 -5.892 2.206 8.213 1.00 0.00 C ATOM 1869 C ASP B 29 -4.918 1.433 7.330 1.00 0.00 C ATOM 1870 O ASP B 29 -5.107 1.339 6.117 1.00 0.00 O ATOM 1871 CB ASP B 29 -5.299 3.582 8.539 1.00 0.00 C ATOM 1872 CG ASP B 29 -6.275 4.503 9.242 1.00 0.00 C ATOM 1873 OD1 ASP B 29 -7.173 5.058 8.573 1.00 0.00 O ATOM 1874 OD2 ASP B 29 -6.132 4.695 10.468 1.00 0.00 O ATOM 0 H ASP B 29 -5.749 1.820 10.273 1.00 0.00 H new ATOM 0 HA ASP B 29 -6.831 2.345 7.677 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -4.417 3.451 9.166 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -4.965 4.054 7.615 1.00 0.00 H new ATOM 1879 N VAL B 30 -3.882 0.872 7.950 1.00 0.00 N ATOM 1880 CA VAL B 30 -2.831 0.166 7.209 1.00 0.00 C ATOM 1881 C VAL B 30 -3.378 -1.021 6.405 1.00 0.00 C ATOM 1882 O VAL B 30 -2.991 -1.234 5.255 1.00 0.00 O ATOM 1883 CB VAL B 30 -1.708 -0.325 8.153 1.00 0.00 C ATOM 1884 CG1 VAL B 30 -0.668 -1.138 7.392 1.00 0.00 C ATOM 1885 CG2 VAL B 30 -1.046 0.852 8.852 1.00 0.00 C ATOM 0 H VAL B 30 -3.745 0.891 8.961 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.419 0.890 6.506 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.162 -0.971 8.905 1.00 0.00 H new ATOM 0 HG11 VAL B 30 0.109 -1.470 8.080 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -1.146 -2.006 6.938 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -0.222 -0.520 6.612 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.259 0.487 9.512 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.615 1.521 8.108 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.789 1.392 9.438 1.00 0.00 H new ATOM 1895 N ARG B 31 -4.277 -1.792 6.999 1.00 0.00 N ATOM 1896 CA ARG B 31 -4.837 -2.958 6.318 1.00 0.00 C ATOM 1897 C ARG B 31 -5.732 -2.529 5.154 1.00 0.00 C ATOM 1898 O ARG B 31 -5.831 -3.227 4.147 1.00 0.00 O ATOM 1899 CB ARG B 31 -5.616 -3.844 7.301 1.00 0.00 C ATOM 1900 CG ARG B 31 -4.740 -4.462 8.383 1.00 0.00 C ATOM 1901 CD ARG B 31 -5.561 -5.192 9.440 1.00 0.00 C ATOM 1902 NE ARG B 31 -6.128 -6.445 8.943 1.00 0.00 N ATOM 1903 CZ ARG B 31 -7.068 -7.150 9.577 1.00 0.00 C ATOM 1904 NH1 ARG B 31 -7.591 -6.708 10.716 1.00 0.00 N ATOM 1905 NH2 ARG B 31 -7.490 -8.300 9.062 1.00 0.00 N ATOM 0 H ARG B 31 -4.634 -1.637 7.942 1.00 0.00 H new ATOM 0 HA ARG B 31 -4.010 -3.543 5.916 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -6.398 -3.250 7.773 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -6.112 -4.641 6.746 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -4.037 -5.159 7.926 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -4.149 -3.680 8.860 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -4.931 -5.400 10.305 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -6.367 -4.543 9.782 1.00 0.00 H new ATOM 0 HE ARG B 31 -5.782 -6.804 8.053 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -7.275 -5.823 11.113 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -8.309 -7.254 11.193 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -7.096 -8.641 8.185 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -8.208 -8.841 9.543 1.00 0.00 H new ATOM 1919 N LYS B 32 -6.357 -1.366 5.289 1.00 0.00 N ATOM 1920 CA LYS B 32 -7.262 -0.851 4.264 1.00 0.00 C ATOM 1921 C LYS B 32 -6.530 -0.530 2.963 1.00 0.00 C ATOM 1922 O LYS B 32 -6.983 -0.914 1.882 1.00 0.00 O ATOM 1923 CB LYS B 32 -7.998 0.390 4.772 1.00 0.00 C ATOM 1924 CG LYS B 32 -9.208 0.064 5.627 1.00 0.00 C ATOM 1925 CD LYS B 32 -9.763 1.305 6.304 1.00 0.00 C ATOM 1926 CE LYS B 32 -11.101 1.016 6.961 1.00 0.00 C ATOM 1927 NZ LYS B 32 -11.053 -0.217 7.788 1.00 0.00 N ATOM 0 H LYS B 32 -6.254 -0.758 6.101 1.00 0.00 H new ATOM 0 HA LYS B 32 -7.987 -1.636 4.051 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -7.307 1.002 5.352 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -8.316 0.990 3.919 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -9.981 -0.390 5.007 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -8.933 -0.672 6.383 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -9.056 1.662 7.053 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -9.879 2.102 5.570 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -11.390 1.862 7.585 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -11.868 0.910 6.194 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -12.004 -0.428 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -10.720 -1.012 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -10.401 -0.075 8.586 1.00 0.00 H new ATOM 1941 N ILE B 33 -5.397 0.159 3.066 1.00 0.00 N ATOM 1942 CA ILE B 33 -4.647 0.564 1.879 1.00 0.00 C ATOM 1943 C ILE B 33 -4.090 -0.649 1.140 1.00 0.00 C ATOM 1944 O ILE B 33 -3.996 -0.657 -0.087 1.00 0.00 O ATOM 1945 CB ILE B 33 -3.495 1.541 2.216 1.00 0.00 C ATOM 1946 CG1 ILE B 33 -2.479 0.897 3.169 1.00 0.00 C ATOM 1947 CG2 ILE B 33 -4.055 2.818 2.821 1.00 0.00 C ATOM 1948 CD1 ILE B 33 -1.281 1.776 3.465 1.00 0.00 C ATOM 0 H ILE B 33 -4.980 0.447 3.951 1.00 0.00 H new ATOM 0 HA ILE B 33 -5.353 1.086 1.233 1.00 0.00 H new ATOM 0 HB ILE B 33 -2.974 1.785 1.290 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -2.978 0.651 4.106 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -2.132 -0.041 2.736 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -3.237 3.499 3.055 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.730 3.293 2.109 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -4.600 2.579 3.734 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -0.607 1.255 4.145 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -0.757 2.002 2.536 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.616 2.704 3.927 1.00 0.00 H new ATOM 1960 N ALA B 34 -3.748 -1.682 1.896 1.00 0.00 N ATOM 1961 CA ALA B 34 -3.210 -2.910 1.324 1.00 0.00 C ATOM 1962 C ALA B 34 -4.305 -3.728 0.641 1.00 0.00 C ATOM 1963 O ALA B 34 -4.059 -4.400 -0.359 1.00 0.00 O ATOM 1964 CB ALA B 34 -2.521 -3.735 2.401 1.00 0.00 C ATOM 0 H ALA B 34 -3.834 -1.695 2.912 1.00 0.00 H new ATOM 0 HA ALA B 34 -2.476 -2.637 0.566 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -2.124 -4.649 1.960 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -1.705 -3.157 2.836 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -3.240 -3.990 3.180 1.00 0.00 H new ATOM 1970 N THR B 35 -5.516 -3.661 1.176 1.00 0.00 N ATOM 1971 CA THR B 35 -6.639 -4.407 0.620 1.00 0.00 C ATOM 1972 C THR B 35 -7.121 -3.771 -0.687 1.00 0.00 C ATOM 1973 O THR B 35 -7.611 -4.458 -1.586 1.00 0.00 O ATOM 1974 CB THR B 35 -7.806 -4.478 1.625 1.00 0.00 C ATOM 1975 OG1 THR B 35 -7.342 -5.007 2.871 1.00 0.00 O ATOM 1976 CG2 THR B 35 -8.935 -5.356 1.103 1.00 0.00 C ATOM 0 H THR B 35 -5.747 -3.098 1.995 1.00 0.00 H new ATOM 0 HA THR B 35 -6.292 -5.420 0.414 1.00 0.00 H new ATOM 0 HB THR B 35 -8.188 -3.467 1.764 1.00 0.00 H new ATOM 0 HG1 THR B 35 -6.675 -4.401 3.256 1.00 0.00 H new ATOM 0 HG21 THR B 35 -9.742 -5.385 1.835 1.00 0.00 H new ATOM 0 HG22 THR B 35 -9.311 -4.947 0.165 1.00 0.00 H new ATOM 0 HG23 THR B 35 -8.562 -6.366 0.934 1.00 0.00 H new ATOM 1984 N ALA B 36 -6.966 -2.454 -0.789 1.00 0.00 N ATOM 1985 CA ALA B 36 -7.423 -1.713 -1.960 1.00 0.00 C ATOM 1986 C ALA B 36 -6.718 -2.172 -3.235 1.00 0.00 C ATOM 1987 O ALA B 36 -7.363 -2.423 -4.254 1.00 0.00 O ATOM 1988 CB ALA B 36 -7.217 -0.222 -1.754 1.00 0.00 C ATOM 0 H ALA B 36 -6.526 -1.877 -0.072 1.00 0.00 H new ATOM 0 HA ALA B 36 -8.487 -1.915 -2.081 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -7.562 0.318 -2.635 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -7.783 0.106 -0.882 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -6.158 -0.019 -1.596 1.00 0.00 H new ATOM 1994 N LEU B 37 -5.397 -2.292 -3.167 1.00 0.00 N ATOM 1995 CA LEU B 37 -4.600 -2.654 -4.332 1.00 0.00 C ATOM 1996 C LEU B 37 -4.871 -4.093 -4.765 1.00 0.00 C ATOM 1997 O LEU B 37 -4.687 -4.449 -5.929 1.00 0.00 O ATOM 1998 CB LEU B 37 -3.106 -2.438 -4.040 1.00 0.00 C ATOM 1999 CG LEU B 37 -2.520 -3.241 -2.868 1.00 0.00 C ATOM 2000 CD1 LEU B 37 -2.034 -4.613 -3.326 1.00 0.00 C ATOM 2001 CD2 LEU B 37 -1.387 -2.469 -2.210 1.00 0.00 C ATOM 0 H LEU B 37 -4.855 -2.144 -2.316 1.00 0.00 H new ATOM 0 HA LEU B 37 -4.890 -2.006 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -2.542 -2.684 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -2.945 -1.378 -3.843 1.00 0.00 H new ATOM 0 HG LEU B 37 -3.313 -3.393 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -1.625 -5.157 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -2.869 -5.173 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -1.260 -4.491 -4.084 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -0.983 -3.051 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -0.600 -2.284 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -1.765 -1.518 -1.834 1.00 0.00 H new ATOM 2013 N LEU B 38 -5.311 -4.916 -3.825 1.00 0.00 N ATOM 2014 CA LEU B 38 -5.619 -6.308 -4.118 1.00 0.00 C ATOM 2015 C LEU B 38 -6.972 -6.395 -4.819 1.00 0.00 C ATOM 2016 O LEU B 38 -7.200 -7.263 -5.663 1.00 0.00 O ATOM 2017 CB LEU B 38 -5.622 -7.118 -2.808 1.00 0.00 C ATOM 2018 CG LEU B 38 -5.564 -8.651 -2.946 1.00 0.00 C ATOM 2019 CD1 LEU B 38 -5.100 -9.279 -1.641 1.00 0.00 C ATOM 2020 CD2 LEU B 38 -6.922 -9.226 -3.330 1.00 0.00 C ATOM 0 H LEU B 38 -5.463 -4.645 -2.854 1.00 0.00 H new ATOM 0 HA LEU B 38 -4.862 -6.726 -4.781 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -4.771 -6.797 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -6.522 -6.860 -2.250 1.00 0.00 H new ATOM 0 HG LEU B 38 -4.853 -8.885 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -5.063 -10.363 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -4.107 -8.906 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -5.797 -9.019 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -6.846 -10.310 -3.419 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -7.654 -8.975 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.239 -8.805 -4.284 1.00 0.00 H new ATOM 2032 N LYS B 39 -7.856 -5.470 -4.479 1.00 0.00 N ATOM 2033 CA LYS B 39 -9.214 -5.488 -4.997 1.00 0.00 C ATOM 2034 C LYS B 39 -9.256 -4.982 -6.439 1.00 0.00 C ATOM 2035 O LYS B 39 -9.806 -5.646 -7.320 1.00 0.00 O ATOM 2036 CB LYS B 39 -10.132 -4.641 -4.102 1.00 0.00 C ATOM 2037 CG LYS B 39 -11.568 -5.154 -4.018 1.00 0.00 C ATOM 2038 CD LYS B 39 -12.281 -5.106 -5.362 1.00 0.00 C ATOM 2039 CE LYS B 39 -13.603 -5.853 -5.328 1.00 0.00 C ATOM 2040 NZ LYS B 39 -14.253 -5.874 -6.664 1.00 0.00 N ATOM 0 H LYS B 39 -7.656 -4.696 -3.845 1.00 0.00 H new ATOM 0 HA LYS B 39 -9.570 -6.518 -4.992 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -9.711 -4.606 -3.097 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -10.145 -3.618 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -11.564 -6.179 -3.649 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -12.122 -4.557 -3.294 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -12.458 -4.068 -5.642 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -11.639 -5.539 -6.129 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -13.436 -6.875 -4.988 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -14.270 -5.382 -4.606 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -15.153 -6.392 -6.604 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -14.435 -4.899 -6.977 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -13.627 -6.346 -7.347 1.00 0.00 H new ATOM 2054 N THR B 40 -8.677 -3.813 -6.681 1.00 0.00 N ATOM 2055 CA THR B 40 -8.739 -3.209 -7.999 1.00 0.00 C ATOM 2056 C THR B 40 -7.573 -2.256 -8.247 1.00 0.00 C ATOM 2057 O THR B 40 -7.675 -1.041 -8.075 1.00 0.00 O ATOM 2058 CB THR B 40 -10.093 -2.497 -8.228 1.00 0.00 C ATOM 2059 OG1 THR B 40 -10.070 -1.732 -9.440 1.00 0.00 O ATOM 2060 CG2 THR B 40 -10.462 -1.595 -7.054 1.00 0.00 C ATOM 0 H THR B 40 -8.164 -3.270 -5.986 1.00 0.00 H new ATOM 0 HA THR B 40 -8.656 -4.019 -8.723 1.00 0.00 H new ATOM 0 HB THR B 40 -10.853 -3.274 -8.312 1.00 0.00 H new ATOM 0 HG1 THR B 40 -10.135 -0.778 -9.226 1.00 0.00 H new ATOM 0 HG21 THR B 40 -11.419 -1.113 -7.253 1.00 0.00 H new ATOM 0 HG22 THR B 40 -10.538 -2.193 -6.146 1.00 0.00 H new ATOM 0 HG23 THR B 40 -9.692 -0.834 -6.924 1.00 0.00 H new ATOM 2068 N ALA B 41 -6.453 -2.841 -8.626 1.00 0.00 N ATOM 2069 CA ALA B 41 -5.270 -2.088 -9.028 1.00 0.00 C ATOM 2070 C ALA B 41 -4.573 -2.809 -10.173 1.00 0.00 C ATOM 2071 O ALA B 41 -3.404 -2.569 -10.474 1.00 0.00 O ATOM 2072 CB ALA B 41 -4.323 -1.903 -7.854 1.00 0.00 C ATOM 0 H ALA B 41 -6.333 -3.853 -8.666 1.00 0.00 H new ATOM 0 HA ALA B 41 -5.578 -1.098 -9.365 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -3.448 -1.339 -8.178 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -4.832 -1.359 -7.058 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.009 -2.878 -7.483 1.00 0.00 H new ATOM 2078 N ILE B 42 -5.317 -3.702 -10.808 1.00 0.00 N ATOM 2079 CA ILE B 42 -4.800 -4.499 -11.908 1.00 0.00 C ATOM 2080 C ILE B 42 -5.682 -4.300 -13.137 1.00 0.00 C ATOM 2081 O ILE B 42 -6.901 -4.469 -13.064 1.00 0.00 O ATOM 2082 CB ILE B 42 -4.763 -5.999 -11.533 1.00 0.00 C ATOM 2083 CG1 ILE B 42 -4.066 -6.197 -10.182 1.00 0.00 C ATOM 2084 CG2 ILE B 42 -4.050 -6.799 -12.611 1.00 0.00 C ATOM 2085 CD1 ILE B 42 -4.082 -7.629 -9.688 1.00 0.00 C ATOM 0 H ILE B 42 -6.292 -3.893 -10.576 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.783 -4.173 -12.125 1.00 0.00 H new ATOM 0 HB ILE B 42 -5.789 -6.358 -11.453 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -3.032 -5.863 -10.265 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -4.547 -5.561 -9.439 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.033 -7.852 -12.331 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -4.577 -6.684 -13.558 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -3.028 -6.435 -12.718 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -3.570 -7.688 -8.727 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -5.113 -7.962 -9.571 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -3.574 -8.269 -10.410 1.00 0.00 H new ATOM 2097 N GLU B 43 -5.073 -3.932 -14.257 1.00 0.00 N ATOM 2098 CA GLU B 43 -5.826 -3.643 -15.470 1.00 0.00 C ATOM 2099 C GLU B 43 -5.672 -4.748 -16.508 1.00 0.00 C ATOM 2100 O GLU B 43 -4.798 -5.612 -16.399 1.00 0.00 O ATOM 2101 CB GLU B 43 -5.384 -2.313 -16.081 1.00 0.00 C ATOM 2102 CG GLU B 43 -3.904 -2.258 -16.416 1.00 0.00 C ATOM 2103 CD GLU B 43 -3.594 -1.256 -17.506 1.00 0.00 C ATOM 2104 OE1 GLU B 43 -4.248 -0.192 -17.547 1.00 0.00 O ATOM 2105 OE2 GLU B 43 -2.710 -1.546 -18.341 1.00 0.00 O ATOM 0 H GLU B 43 -4.063 -3.827 -14.350 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.876 -3.581 -15.183 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.960 -2.131 -16.988 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -5.621 -1.507 -15.386 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -3.341 -2.000 -15.519 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -3.569 -3.247 -16.730 1.00 0.00 H new ATOM 2112 N ILE B 44 -6.526 -4.701 -17.522 1.00 0.00 N ATOM 2113 CA ILE B 44 -6.495 -5.669 -18.594 1.00 0.00 C ATOM 2114 C ILE B 44 -6.050 -5.039 -19.910 1.00 0.00 C ATOM 2115 O ILE B 44 -6.490 -3.949 -20.279 1.00 0.00 O ATOM 2116 CB ILE B 44 -7.867 -6.363 -18.783 1.00 0.00 C ATOM 2117 CG1 ILE B 44 -9.046 -5.395 -18.587 1.00 0.00 C ATOM 2118 CG2 ILE B 44 -8.000 -7.548 -17.846 1.00 0.00 C ATOM 2119 CD1 ILE B 44 -9.389 -4.571 -19.810 1.00 0.00 C ATOM 0 H ILE B 44 -7.253 -3.992 -17.618 1.00 0.00 H new ATOM 0 HA ILE B 44 -5.764 -6.424 -18.305 1.00 0.00 H new ATOM 0 HB ILE B 44 -7.904 -6.715 -19.814 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -9.925 -5.968 -18.292 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -8.813 -4.720 -17.763 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -8.970 -8.022 -17.994 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -7.209 -8.268 -18.055 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -7.917 -7.207 -16.814 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -10.231 -3.917 -19.583 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -8.527 -3.968 -20.096 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -9.656 -5.234 -20.632 1.00 0.00 H new ATOM 2131 N VAL B 45 -5.156 -5.726 -20.600 1.00 0.00 N ATOM 2132 CA VAL B 45 -4.757 -5.338 -21.943 1.00 0.00 C ATOM 2133 C VAL B 45 -5.404 -6.279 -22.951 1.00 0.00 C ATOM 2134 O VAL B 45 -5.229 -7.496 -22.883 1.00 0.00 O ATOM 2135 CB VAL B 45 -3.219 -5.334 -22.116 1.00 0.00 C ATOM 2136 CG1 VAL B 45 -2.607 -4.156 -21.373 1.00 0.00 C ATOM 2137 CG2 VAL B 45 -2.606 -6.641 -21.628 1.00 0.00 C ATOM 0 H VAL B 45 -4.689 -6.562 -20.249 1.00 0.00 H new ATOM 0 HA VAL B 45 -5.098 -4.317 -22.117 1.00 0.00 H new ATOM 0 HB VAL B 45 -3.000 -5.235 -23.179 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -1.525 -4.166 -21.504 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -3.012 -3.225 -21.770 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -2.845 -4.232 -20.312 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -1.525 -6.608 -21.762 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -2.836 -6.779 -20.572 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -3.018 -7.472 -22.201 1.00 0.00 H new ATOM 2147 N SER B 46 -6.183 -5.724 -23.861 1.00 0.00 N ATOM 2148 CA SER B 46 -6.973 -6.540 -24.769 1.00 0.00 C ATOM 2149 C SER B 46 -6.346 -6.614 -26.156 1.00 0.00 C ATOM 2150 O SER B 46 -6.092 -5.591 -26.794 1.00 0.00 O ATOM 2151 CB SER B 46 -8.382 -5.971 -24.870 1.00 0.00 C ATOM 2152 OG SER B 46 -8.886 -5.644 -23.584 1.00 0.00 O ATOM 0 H SER B 46 -6.287 -4.718 -23.992 1.00 0.00 H new ATOM 0 HA SER B 46 -7.007 -7.553 -24.367 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.376 -5.082 -25.500 1.00 0.00 H new ATOM 0 HB3 SER B 46 -9.039 -6.697 -25.349 1.00 0.00 H new ATOM 0 HG SER B 46 -9.791 -5.279 -23.671 1.00 0.00 H new ATOM 2158 N GLU B 47 -6.105 -7.834 -26.607 1.00 0.00 N ATOM 2159 CA GLU B 47 -5.631 -8.079 -27.959 1.00 0.00 C ATOM 2160 C GLU B 47 -6.805 -8.500 -28.822 1.00 0.00 C ATOM 2161 O GLU B 47 -7.604 -9.341 -28.405 1.00 0.00 O ATOM 2162 CB GLU B 47 -4.569 -9.187 -27.976 1.00 0.00 C ATOM 2163 CG GLU B 47 -3.318 -8.865 -27.181 1.00 0.00 C ATOM 2164 CD GLU B 47 -2.273 -9.958 -27.290 1.00 0.00 C ATOM 2165 OE1 GLU B 47 -2.366 -10.955 -26.540 1.00 0.00 O ATOM 2166 OE2 GLU B 47 -1.342 -9.822 -28.112 1.00 0.00 O ATOM 0 H GLU B 47 -6.232 -8.679 -26.049 1.00 0.00 H new ATOM 0 HA GLU B 47 -5.181 -7.164 -28.345 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -5.010 -10.103 -27.582 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -4.287 -9.388 -29.010 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -2.896 -7.925 -27.536 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -3.582 -8.721 -26.133 1.00 0.00 H new ATOM 2173 N GLU B 48 -6.922 -7.912 -30.008 1.00 0.00 N ATOM 2174 CA GLU B 48 -7.977 -8.293 -30.941 1.00 0.00 C ATOM 2175 C GLU B 48 -7.884 -9.778 -31.257 1.00 0.00 C ATOM 2176 O GLU B 48 -8.894 -10.475 -31.335 1.00 0.00 O ATOM 2177 CB GLU B 48 -7.898 -7.471 -32.229 1.00 0.00 C ATOM 2178 CG GLU B 48 -8.214 -6.000 -32.028 1.00 0.00 C ATOM 2179 CD GLU B 48 -8.324 -5.243 -33.333 1.00 0.00 C ATOM 2180 OE1 GLU B 48 -9.400 -5.301 -33.969 1.00 0.00 O ATOM 2181 OE2 GLU B 48 -7.345 -4.581 -33.724 1.00 0.00 O ATOM 0 H GLU B 48 -6.304 -7.174 -30.345 1.00 0.00 H new ATOM 0 HA GLU B 48 -8.938 -8.088 -30.469 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -6.897 -7.565 -32.650 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -8.592 -7.887 -32.960 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -9.150 -5.906 -31.478 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -7.436 -5.546 -31.414 1.00 0.00 H new ATOM 2188 N ASP B 49 -6.660 -10.248 -31.419 1.00 0.00 N ATOM 2189 CA ASP B 49 -6.397 -11.666 -31.586 1.00 0.00 C ATOM 2190 C ASP B 49 -5.567 -12.167 -30.417 1.00 0.00 C ATOM 2191 O ASP B 49 -4.434 -11.728 -30.216 1.00 0.00 O ATOM 2192 CB ASP B 49 -5.673 -11.940 -32.904 1.00 0.00 C ATOM 2193 CG ASP B 49 -5.301 -13.401 -33.066 1.00 0.00 C ATOM 2194 OD1 ASP B 49 -6.211 -14.257 -33.031 1.00 0.00 O ATOM 2195 OD2 ASP B 49 -4.095 -13.699 -33.223 1.00 0.00 O ATOM 0 H ASP B 49 -5.825 -9.662 -31.438 1.00 0.00 H new ATOM 0 HA ASP B 49 -7.349 -12.196 -31.612 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -6.309 -11.636 -33.735 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -4.771 -11.330 -32.953 1.00 0.00 H new ATOM 2200 N GLY B 50 -6.139 -13.069 -29.643 1.00 0.00 N ATOM 2201 CA GLY B 50 -5.463 -13.580 -28.470 1.00 0.00 C ATOM 2202 C GLY B 50 -6.353 -13.561 -27.247 1.00 0.00 C ATOM 2203 O GLY B 50 -6.685 -14.612 -26.700 1.00 0.00 O ATOM 0 H GLY B 50 -7.067 -13.461 -29.806 1.00 0.00 H new ATOM 0 HA2 GLY B 50 -5.130 -14.600 -28.660 1.00 0.00 H new ATOM 0 HA3 GLY B 50 -4.571 -12.984 -28.278 1.00 0.00 H new ATOM 2207 N GLY B 51 -6.752 -12.370 -26.822 1.00 0.00 N ATOM 2208 CA GLY B 51 -7.600 -12.240 -25.665 1.00 0.00 C ATOM 2209 C GLY B 51 -7.191 -11.068 -24.805 1.00 0.00 C ATOM 2210 O GLY B 51 -6.196 -10.397 -25.090 1.00 0.00 O ATOM 0 H GLY B 51 -6.498 -11.487 -27.266 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -8.635 -12.115 -25.984 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -7.557 -13.156 -25.077 1.00 0.00 H new ATOM 2214 N ALA B 52 -7.969 -10.807 -23.776 1.00 0.00 N ATOM 2215 CA ALA B 52 -7.653 -9.759 -22.817 1.00 0.00 C ATOM 2216 C ALA B 52 -6.847 -10.334 -21.661 1.00 0.00 C ATOM 2217 O ALA B 52 -7.244 -11.324 -21.046 1.00 0.00 O ATOM 2218 CB ALA B 52 -8.925 -9.093 -22.313 1.00 0.00 C ATOM 0 H ALA B 52 -8.834 -11.309 -23.577 1.00 0.00 H new ATOM 0 HA ALA B 52 -7.050 -8.999 -23.314 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -8.668 -8.312 -21.597 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -9.462 -8.652 -23.153 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -9.557 -9.836 -21.828 1.00 0.00 H new ATOM 2224 N HIS B 53 -5.708 -9.718 -21.383 1.00 0.00 N ATOM 2225 CA HIS B 53 -4.801 -10.206 -20.351 1.00 0.00 C ATOM 2226 C HIS B 53 -4.834 -9.300 -19.129 1.00 0.00 C ATOM 2227 O HIS B 53 -4.642 -8.090 -19.245 1.00 0.00 O ATOM 2228 CB HIS B 53 -3.369 -10.276 -20.882 1.00 0.00 C ATOM 2229 CG HIS B 53 -3.231 -11.105 -22.114 1.00 0.00 C ATOM 2230 ND1 HIS B 53 -3.103 -12.474 -22.087 1.00 0.00 N ATOM 2231 CD2 HIS B 53 -3.229 -10.752 -23.418 1.00 0.00 C ATOM 2232 CE1 HIS B 53 -3.032 -12.926 -23.322 1.00 0.00 C ATOM 2233 NE2 HIS B 53 -3.105 -11.901 -24.151 1.00 0.00 N ATOM 0 H HIS B 53 -5.387 -8.875 -21.859 1.00 0.00 H new ATOM 0 HA HIS B 53 -5.132 -11.205 -20.066 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -3.018 -9.266 -21.092 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -2.721 -10.683 -20.105 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -3.310 -9.749 -23.810 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -2.931 -13.962 -23.609 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -3.074 -11.956 -25.169 1.00 0.00 H new ATOM 2242 N ASN B 54 -5.082 -9.881 -17.968 1.00 0.00 N ATOM 2243 CA ASN B 54 -5.022 -9.140 -16.715 1.00 0.00 C ATOM 2244 C ASN B 54 -3.586 -9.171 -16.210 1.00 0.00 C ATOM 2245 O ASN B 54 -3.110 -10.206 -15.742 1.00 0.00 O ATOM 2246 CB ASN B 54 -5.966 -9.765 -15.678 1.00 0.00 C ATOM 2247 CG ASN B 54 -6.671 -8.734 -14.817 1.00 0.00 C ATOM 2248 OD1 ASN B 54 -6.178 -7.628 -14.614 1.00 0.00 O ATOM 2249 ND2 ASN B 54 -7.837 -9.094 -14.295 1.00 0.00 N ATOM 0 H ASN B 54 -5.328 -10.866 -17.864 1.00 0.00 H new ATOM 0 HA ASN B 54 -5.338 -8.109 -16.877 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -6.712 -10.371 -16.193 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -5.397 -10.438 -15.036 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -8.354 -8.443 -13.704 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -8.216 -10.022 -14.485 1.00 0.00 H new ATOM 2256 N GLN B 55 -2.888 -8.052 -16.329 1.00 0.00 N ATOM 2257 CA GLN B 55 -1.458 -8.028 -16.062 1.00 0.00 C ATOM 2258 C GLN B 55 -1.142 -7.485 -14.674 1.00 0.00 C ATOM 2259 O GLN B 55 -1.473 -6.347 -14.343 1.00 0.00 O ATOM 2260 CB GLN B 55 -0.717 -7.220 -17.133 1.00 0.00 C ATOM 2261 CG GLN B 55 -1.325 -5.854 -17.423 1.00 0.00 C ATOM 2262 CD GLN B 55 -0.462 -5.021 -18.348 1.00 0.00 C ATOM 2263 OE1 GLN B 55 0.282 -5.552 -19.172 1.00 0.00 O ATOM 2264 NE2 GLN B 55 -0.568 -3.707 -18.231 1.00 0.00 N ATOM 0 H GLN B 55 -3.285 -7.154 -16.607 1.00 0.00 H new ATOM 0 HA GLN B 55 -1.110 -9.060 -16.096 1.00 0.00 H new ATOM 0 HB2 GLN B 55 0.317 -7.084 -16.818 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -0.695 -7.798 -18.057 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -2.310 -5.986 -17.871 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -1.470 -5.318 -16.485 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -1.197 -3.306 -17.535 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -0.021 -3.095 -18.837 1.00 0.00 H new ATOM 2273 N CYS B 56 -0.496 -8.311 -13.865 1.00 0.00 N ATOM 2274 CA CYS B 56 -0.082 -7.907 -12.534 1.00 0.00 C ATOM 2275 C CYS B 56 1.123 -6.977 -12.628 1.00 0.00 C ATOM 2276 O CYS B 56 2.232 -7.408 -12.959 1.00 0.00 O ATOM 2277 CB CYS B 56 0.254 -9.133 -11.680 1.00 0.00 C ATOM 2278 SG CYS B 56 0.583 -8.763 -9.939 1.00 0.00 S ATOM 0 H CYS B 56 -0.247 -9.269 -14.111 1.00 0.00 H new ATOM 0 HA CYS B 56 -0.904 -7.374 -12.056 1.00 0.00 H new ATOM 0 HB2 CYS B 56 -0.574 -9.840 -11.739 1.00 0.00 H new ATOM 0 HB3 CYS B 56 1.127 -9.629 -12.105 1.00 0.00 H new ATOM 0 HG CYS B 56 0.854 -9.865 -9.305 1.00 0.00 H new ATOM 2284 N LYS B 57 0.889 -5.706 -12.338 1.00 0.00 N ATOM 2285 CA LYS B 57 1.901 -4.665 -12.476 1.00 0.00 C ATOM 2286 C LYS B 57 3.116 -4.928 -11.586 1.00 0.00 C ATOM 2287 O LYS B 57 4.249 -4.654 -11.968 1.00 0.00 O ATOM 2288 CB LYS B 57 1.279 -3.313 -12.119 1.00 0.00 C ATOM 2289 CG LYS B 57 2.214 -2.126 -12.282 1.00 0.00 C ATOM 2290 CD LYS B 57 2.559 -1.886 -13.739 1.00 0.00 C ATOM 2291 CE LYS B 57 3.377 -0.620 -13.912 1.00 0.00 C ATOM 2292 NZ LYS B 57 3.688 -0.355 -15.339 1.00 0.00 N ATOM 0 H LYS B 57 -0.010 -5.365 -11.999 1.00 0.00 H new ATOM 0 HA LYS B 57 2.248 -4.662 -13.509 1.00 0.00 H new ATOM 0 HB2 LYS B 57 0.400 -3.155 -12.744 1.00 0.00 H new ATOM 0 HB3 LYS B 57 0.933 -3.348 -11.086 1.00 0.00 H new ATOM 0 HG2 LYS B 57 1.747 -1.234 -11.866 1.00 0.00 H new ATOM 0 HG3 LYS B 57 3.128 -2.301 -11.715 1.00 0.00 H new ATOM 0 HD2 LYS B 57 3.117 -2.738 -14.128 1.00 0.00 H new ATOM 0 HD3 LYS B 57 1.642 -1.812 -14.324 1.00 0.00 H new ATOM 0 HE2 LYS B 57 2.830 0.226 -13.496 1.00 0.00 H new ATOM 0 HE3 LYS B 57 4.306 -0.707 -13.348 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 4.384 0.415 -15.405 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 4.080 -1.214 -15.774 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 2.818 -0.080 -15.839 1.00 0.00 H new ATOM 2306 N LEU B 58 2.873 -5.489 -10.413 1.00 0.00 N ATOM 2307 CA LEU B 58 3.914 -5.622 -9.403 1.00 0.00 C ATOM 2308 C LEU B 58 4.578 -6.994 -9.428 1.00 0.00 C ATOM 2309 O LEU B 58 5.366 -7.317 -8.546 1.00 0.00 O ATOM 2310 CB LEU B 58 3.320 -5.361 -8.022 1.00 0.00 C ATOM 2311 CG LEU B 58 2.781 -3.945 -7.801 1.00 0.00 C ATOM 2312 CD1 LEU B 58 2.067 -3.851 -6.463 1.00 0.00 C ATOM 2313 CD2 LEU B 58 3.908 -2.926 -7.872 1.00 0.00 C ATOM 0 H LEU B 58 1.964 -5.860 -10.135 1.00 0.00 H new ATOM 0 HA LEU B 58 4.686 -4.886 -9.628 1.00 0.00 H new ATOM 0 HB2 LEU B 58 2.511 -6.071 -7.852 1.00 0.00 H new ATOM 0 HB3 LEU B 58 4.084 -5.563 -7.271 1.00 0.00 H new ATOM 0 HG LEU B 58 2.065 -3.723 -8.593 1.00 0.00 H new ATOM 0 HD11 LEU B 58 1.690 -2.838 -6.322 1.00 0.00 H new ATOM 0 HD12 LEU B 58 1.234 -4.554 -6.445 1.00 0.00 H new ATOM 0 HD13 LEU B 58 2.764 -4.094 -5.661 1.00 0.00 H new ATOM 0 HD21 LEU B 58 3.505 -1.926 -7.713 1.00 0.00 H new ATOM 0 HD22 LEU B 58 4.647 -3.146 -7.102 1.00 0.00 H new ATOM 0 HD23 LEU B 58 4.381 -2.974 -8.853 1.00 0.00 H new ATOM 2325 N CYS B 59 4.263 -7.796 -10.433 1.00 0.00 N ATOM 2326 CA CYS B 59 4.851 -9.129 -10.537 1.00 0.00 C ATOM 2327 C CYS B 59 5.329 -9.423 -11.958 1.00 0.00 C ATOM 2328 O CYS B 59 6.248 -10.220 -12.158 1.00 0.00 O ATOM 2329 CB CYS B 59 3.842 -10.188 -10.089 1.00 0.00 C ATOM 2330 SG CYS B 59 4.511 -11.865 -10.006 1.00 0.00 S ATOM 0 H CYS B 59 3.613 -7.555 -11.181 1.00 0.00 H new ATOM 0 HA CYS B 59 5.720 -9.161 -9.880 1.00 0.00 H new ATOM 0 HB2 CYS B 59 3.457 -9.914 -9.107 1.00 0.00 H new ATOM 0 HB3 CYS B 59 2.996 -10.181 -10.776 1.00 0.00 H new ATOM 0 HG CYS B 59 5.510 -11.975 -10.830 1.00 0.00 H new ATOM 2336 N GLY B 60 4.704 -8.786 -12.942 1.00 0.00 N ATOM 2337 CA GLY B 60 5.090 -9.006 -14.323 1.00 0.00 C ATOM 2338 C GLY B 60 4.550 -10.312 -14.872 1.00 0.00 C ATOM 2339 O GLY B 60 5.289 -11.098 -15.469 1.00 0.00 O ATOM 0 H GLY B 60 3.940 -8.124 -12.809 1.00 0.00 H new ATOM 0 HA2 GLY B 60 4.727 -8.180 -14.935 1.00 0.00 H new ATOM 0 HA3 GLY B 60 6.177 -9.005 -14.398 1.00 0.00 H new ATOM 2343 N ALA B 61 3.258 -10.544 -14.665 1.00 0.00 N ATOM 2344 CA ALA B 61 2.608 -11.757 -15.137 1.00 0.00 C ATOM 2345 C ALA B 61 1.156 -11.467 -15.498 1.00 0.00 C ATOM 2346 O ALA B 61 0.470 -10.729 -14.787 1.00 0.00 O ATOM 2347 CB ALA B 61 2.685 -12.850 -14.080 1.00 0.00 C ATOM 0 H ALA B 61 2.639 -9.902 -14.170 1.00 0.00 H new ATOM 0 HA ALA B 61 3.128 -12.106 -16.029 1.00 0.00 H new ATOM 0 HB1 ALA B 61 2.194 -13.750 -14.451 1.00 0.00 H new ATOM 0 HB2 ALA B 61 3.730 -13.071 -13.861 1.00 0.00 H new ATOM 0 HB3 ALA B 61 2.187 -12.513 -13.171 1.00 0.00 H new ATOM 2353 N SER B 62 0.696 -12.039 -16.599 1.00 0.00 N ATOM 2354 CA SER B 62 -0.657 -11.796 -17.078 1.00 0.00 C ATOM 2355 C SER B 62 -1.516 -13.056 -16.999 1.00 0.00 C ATOM 2356 O SER B 62 -1.061 -14.157 -17.320 1.00 0.00 O ATOM 2357 CB SER B 62 -0.603 -11.263 -18.509 1.00 0.00 C ATOM 2358 OG SER B 62 0.444 -11.879 -19.243 1.00 0.00 O ATOM 0 H SER B 62 1.241 -12.677 -17.180 1.00 0.00 H new ATOM 0 HA SER B 62 -1.123 -11.050 -16.434 1.00 0.00 H new ATOM 0 HB2 SER B 62 -1.556 -11.446 -19.005 1.00 0.00 H new ATOM 0 HB3 SER B 62 -0.454 -10.183 -18.493 1.00 0.00 H new ATOM 0 HG SER B 62 0.457 -11.523 -20.156 1.00 0.00 H new ATOM 2364 N VAL B 63 -2.755 -12.879 -16.561 1.00 0.00 N ATOM 2365 CA VAL B 63 -3.716 -13.972 -16.451 1.00 0.00 C ATOM 2366 C VAL B 63 -4.970 -13.628 -17.265 1.00 0.00 C ATOM 2367 O VAL B 63 -5.315 -12.454 -17.377 1.00 0.00 O ATOM 2368 CB VAL B 63 -4.082 -14.223 -14.958 1.00 0.00 C ATOM 2369 CG1 VAL B 63 -4.744 -13.000 -14.340 1.00 0.00 C ATOM 2370 CG2 VAL B 63 -4.968 -15.447 -14.789 1.00 0.00 C ATOM 0 H VAL B 63 -3.124 -11.973 -16.271 1.00 0.00 H new ATOM 0 HA VAL B 63 -3.273 -14.885 -16.848 1.00 0.00 H new ATOM 0 HB VAL B 63 -3.147 -14.414 -14.431 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -4.988 -13.206 -13.298 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -4.062 -12.152 -14.392 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -5.657 -12.765 -14.887 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -5.199 -15.586 -13.733 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -5.893 -15.306 -15.348 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -4.447 -16.328 -15.165 1.00 0.00 H new ATOM 2380 N PRO B 64 -5.625 -14.624 -17.900 1.00 0.00 N ATOM 2381 CA PRO B 64 -6.878 -14.421 -18.639 1.00 0.00 C ATOM 2382 C PRO B 64 -7.865 -13.512 -17.900 1.00 0.00 C ATOM 2383 O PRO B 64 -7.998 -13.579 -16.675 1.00 0.00 O ATOM 2384 CB PRO B 64 -7.456 -15.841 -18.779 1.00 0.00 C ATOM 2385 CG PRO B 64 -6.496 -16.757 -18.084 1.00 0.00 C ATOM 2386 CD PRO B 64 -5.190 -16.019 -17.991 1.00 0.00 C ATOM 0 HA PRO B 64 -6.700 -13.923 -19.592 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -8.447 -15.903 -18.330 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -7.564 -16.115 -19.828 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -6.863 -17.023 -17.092 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -6.377 -17.687 -18.639 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -4.613 -16.323 -17.118 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -4.562 -16.193 -18.865 1.00 0.00 H new ATOM 2394 N TRP B 65 -8.549 -12.658 -18.661 1.00 0.00 N ATOM 2395 CA TRP B 65 -9.467 -11.671 -18.096 1.00 0.00 C ATOM 2396 C TRP B 65 -10.663 -12.336 -17.417 1.00 0.00 C ATOM 2397 O TRP B 65 -10.818 -13.558 -17.464 1.00 0.00 O ATOM 2398 CB TRP B 65 -9.960 -10.712 -19.191 1.00 0.00 C ATOM 2399 CG TRP B 65 -10.930 -11.333 -20.158 1.00 0.00 C ATOM 2400 CD1 TRP B 65 -10.659 -12.268 -21.116 1.00 0.00 C ATOM 2401 CD2 TRP B 65 -12.332 -11.049 -20.265 1.00 0.00 C ATOM 2402 NE1 TRP B 65 -11.805 -12.584 -21.805 1.00 0.00 N ATOM 2403 CE2 TRP B 65 -12.845 -11.849 -21.300 1.00 0.00 C ATOM 2404 CE3 TRP B 65 -13.204 -10.196 -19.579 1.00 0.00 C ATOM 2405 CZ2 TRP B 65 -14.189 -11.822 -21.669 1.00 0.00 C ATOM 2406 CZ3 TRP B 65 -14.536 -10.170 -19.946 1.00 0.00 C ATOM 2407 CH2 TRP B 65 -15.017 -10.979 -20.981 1.00 0.00 C ATOM 0 H TRP B 65 -8.483 -12.631 -19.679 1.00 0.00 H new ATOM 0 HA TRP B 65 -8.918 -11.109 -17.340 1.00 0.00 H new ATOM 0 HB2 TRP B 65 -10.434 -9.851 -18.719 1.00 0.00 H new ATOM 0 HB3 TRP B 65 -9.100 -10.337 -19.746 1.00 0.00 H new ATOM 0 HD1 TRP B 65 -9.686 -12.697 -21.304 1.00 0.00 H new ATOM 0 HE1 TRP B 65 -11.871 -13.257 -22.569 1.00 0.00 H new ATOM 0 HE3 TRP B 65 -12.842 -9.569 -18.777 1.00 0.00 H new ATOM 0 HZ2 TRP B 65 -14.563 -12.444 -22.469 1.00 0.00 H new ATOM 0 HZ3 TRP B 65 -15.217 -9.514 -19.425 1.00 0.00 H new ATOM 0 HH2 TRP B 65 -16.064 -10.937 -21.242 1.00 0.00 H new ATOM 2418 N LEU B 66 -11.491 -11.503 -16.779 1.00 0.00 N ATOM 2419 CA LEU B 66 -12.717 -11.933 -16.098 1.00 0.00 C ATOM 2420 C LEU B 66 -12.399 -12.507 -14.719 1.00 0.00 C ATOM 2421 O LEU B 66 -13.198 -12.385 -13.787 1.00 0.00 O ATOM 2422 CB LEU B 66 -13.511 -12.947 -16.941 1.00 0.00 C ATOM 2423 CG LEU B 66 -14.919 -13.264 -16.435 1.00 0.00 C ATOM 2424 CD1 LEU B 66 -15.799 -12.025 -16.501 1.00 0.00 C ATOM 2425 CD2 LEU B 66 -15.530 -14.398 -17.245 1.00 0.00 C ATOM 0 H LEU B 66 -11.327 -10.498 -16.720 1.00 0.00 H new ATOM 0 HA LEU B 66 -13.345 -11.051 -15.968 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -13.587 -12.566 -17.959 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -12.943 -13.876 -16.990 1.00 0.00 H new ATOM 0 HG LEU B 66 -14.851 -13.581 -15.394 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -16.797 -12.268 -16.137 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -15.368 -11.239 -15.881 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -15.863 -11.679 -17.533 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -16.532 -14.612 -16.873 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -15.587 -14.106 -18.294 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -14.909 -15.289 -17.149 1.00 0.00 H new ATOM 2437 N GLN B 67 -11.227 -13.113 -14.588 1.00 0.00 N ATOM 2438 CA GLN B 67 -10.795 -13.675 -13.322 1.00 0.00 C ATOM 2439 C GLN B 67 -9.969 -12.661 -12.535 1.00 0.00 C ATOM 2440 O GLN B 67 -9.646 -11.583 -13.039 1.00 0.00 O ATOM 2441 CB GLN B 67 -9.988 -14.950 -13.562 1.00 0.00 C ATOM 2442 CG GLN B 67 -10.794 -16.052 -14.226 1.00 0.00 C ATOM 2443 CD GLN B 67 -10.011 -17.339 -14.379 1.00 0.00 C ATOM 2444 OE1 GLN B 67 -9.360 -17.570 -15.398 1.00 0.00 O ATOM 2445 NE2 GLN B 67 -10.064 -18.185 -13.364 1.00 0.00 N ATOM 0 H GLN B 67 -10.557 -13.227 -15.349 1.00 0.00 H new ATOM 0 HA GLN B 67 -11.678 -13.924 -12.734 1.00 0.00 H new ATOM 0 HB2 GLN B 67 -9.125 -14.714 -14.185 1.00 0.00 H new ATOM 0 HB3 GLN B 67 -9.604 -15.314 -12.609 1.00 0.00 H new ATOM 0 HG2 GLN B 67 -11.691 -16.245 -13.638 1.00 0.00 H new ATOM 0 HG3 GLN B 67 -11.124 -15.714 -15.208 1.00 0.00 H new ATOM 0 HE21 GLN B 67 -10.615 -17.956 -12.537 1.00 0.00 H new ATOM 0 HE22 GLN B 67 -9.553 -19.067 -13.408 1.00 0.00 H new ATOM 2454 N THR B 68 -9.622 -13.012 -11.305 1.00 0.00 N ATOM 2455 CA THR B 68 -8.889 -12.109 -10.430 1.00 0.00 C ATOM 2456 C THR B 68 -7.387 -12.196 -10.700 1.00 0.00 C ATOM 2457 O THR B 68 -6.837 -13.287 -10.866 1.00 0.00 O ATOM 2458 CB THR B 68 -9.167 -12.437 -8.948 1.00 0.00 C ATOM 2459 OG1 THR B 68 -10.579 -12.571 -8.740 1.00 0.00 O ATOM 2460 CG2 THR B 68 -8.621 -11.351 -8.029 1.00 0.00 C ATOM 0 H THR B 68 -9.837 -13.918 -10.890 1.00 0.00 H new ATOM 0 HA THR B 68 -9.230 -11.095 -10.638 1.00 0.00 H new ATOM 0 HB THR B 68 -8.664 -13.374 -8.709 1.00 0.00 H new ATOM 0 HG1 THR B 68 -10.753 -12.781 -7.799 1.00 0.00 H new ATOM 0 HG21 THR B 68 -8.833 -11.612 -6.992 1.00 0.00 H new ATOM 0 HG22 THR B 68 -7.543 -11.264 -8.169 1.00 0.00 H new ATOM 0 HG23 THR B 68 -9.096 -10.399 -8.268 1.00 0.00 H new ATOM 2468 N GLY B 69 -6.727 -11.043 -10.729 1.00 0.00 N ATOM 2469 CA GLY B 69 -5.308 -11.000 -11.028 1.00 0.00 C ATOM 2470 C GLY B 69 -4.455 -11.724 -9.997 1.00 0.00 C ATOM 2471 O GLY B 69 -3.339 -12.140 -10.298 1.00 0.00 O ATOM 0 H GLY B 69 -7.152 -10.133 -10.550 1.00 0.00 H new ATOM 0 HA2 GLY B 69 -5.136 -11.444 -12.008 1.00 0.00 H new ATOM 0 HA3 GLY B 69 -4.988 -9.960 -11.089 1.00 0.00 H new ATOM 2543 N HIS B 74 1.958 -15.677 -7.787 1.00 0.00 N ATOM 2544 CA HIS B 74 2.914 -14.634 -8.089 1.00 0.00 C ATOM 2545 C HIS B 74 4.250 -14.944 -7.441 1.00 0.00 C ATOM 2546 O HIS B 74 4.394 -15.941 -6.731 1.00 0.00 O ATOM 2547 CB HIS B 74 2.405 -13.279 -7.582 1.00 0.00 C ATOM 2548 CG HIS B 74 1.098 -12.864 -8.173 1.00 0.00 C ATOM 2549 ND1 HIS B 74 0.023 -12.456 -7.416 1.00 0.00 N ATOM 2550 CD2 HIS B 74 0.701 -12.773 -9.463 1.00 0.00 C ATOM 2551 CE1 HIS B 74 -0.975 -12.139 -8.212 1.00 0.00 C ATOM 2552 NE2 HIS B 74 -0.595 -12.322 -9.461 1.00 0.00 N ATOM 0 HA HIS B 74 3.039 -14.587 -9.171 1.00 0.00 H new ATOM 0 HB2 HIS B 74 2.305 -13.322 -6.497 1.00 0.00 H new ATOM 0 HB3 HIS B 74 3.151 -12.516 -7.803 1.00 0.00 H new ATOM 0 HD2 HIS B 74 1.294 -13.011 -10.333 1.00 0.00 H new ATOM 0 HE1 HIS B 74 -1.945 -11.787 -7.895 1.00 0.00 H new ATOM 0 HE2 HIS B 74 -1.169 -12.156 -10.288 1.00 0.00 H new ATOM 2561 N ALA B 75 5.221 -14.085 -7.687 1.00 0.00 N ATOM 2562 CA ALA B 75 6.511 -14.193 -7.044 1.00 0.00 C ATOM 2563 C ALA B 75 6.400 -13.745 -5.598 1.00 0.00 C ATOM 2564 O ALA B 75 5.614 -12.856 -5.280 1.00 0.00 O ATOM 2565 CB ALA B 75 7.528 -13.342 -7.783 1.00 0.00 C ATOM 0 H ALA B 75 5.137 -13.300 -8.333 1.00 0.00 H new ATOM 0 HA ALA B 75 6.841 -15.232 -7.067 1.00 0.00 H new ATOM 0 HB1 ALA B 75 8.498 -13.427 -7.294 1.00 0.00 H new ATOM 0 HB2 ALA B 75 7.610 -13.686 -8.814 1.00 0.00 H new ATOM 0 HB3 ALA B 75 7.207 -12.300 -7.773 1.00 0.00 H new ATOM 2571 N ASP B 76 7.184 -14.351 -4.731 1.00 0.00 N ATOM 2572 CA ASP B 76 7.199 -13.969 -3.321 1.00 0.00 C ATOM 2573 C ASP B 76 7.972 -12.667 -3.169 1.00 0.00 C ATOM 2574 O ASP B 76 7.905 -11.990 -2.145 1.00 0.00 O ATOM 2575 CB ASP B 76 7.837 -15.079 -2.478 1.00 0.00 C ATOM 2576 CG ASP B 76 7.685 -14.853 -0.985 1.00 0.00 C ATOM 2577 OD1 ASP B 76 6.568 -15.067 -0.459 1.00 0.00 O ATOM 2578 OD2 ASP B 76 8.683 -14.495 -0.328 1.00 0.00 O ATOM 0 H ASP B 76 7.821 -15.110 -4.971 1.00 0.00 H new ATOM 0 HA ASP B 76 6.178 -13.824 -2.969 1.00 0.00 H new ATOM 0 HB2 ASP B 76 7.384 -16.034 -2.743 1.00 0.00 H new ATOM 0 HB3 ASP B 76 8.897 -15.150 -2.723 1.00 0.00 H new ATOM 2583 N ASP B 77 8.682 -12.316 -4.236 1.00 0.00 N ATOM 2584 CA ASP B 77 9.512 -11.119 -4.280 1.00 0.00 C ATOM 2585 C ASP B 77 8.685 -9.874 -4.600 1.00 0.00 C ATOM 2586 O ASP B 77 9.201 -8.755 -4.586 1.00 0.00 O ATOM 2587 CB ASP B 77 10.605 -11.275 -5.347 1.00 0.00 C ATOM 2588 CG ASP B 77 11.504 -12.476 -5.125 1.00 0.00 C ATOM 2589 OD1 ASP B 77 11.161 -13.585 -5.602 1.00 0.00 O ATOM 2590 OD2 ASP B 77 12.572 -12.312 -4.498 1.00 0.00 O ATOM 0 H ASP B 77 8.697 -12.858 -5.100 1.00 0.00 H new ATOM 0 HA ASP B 77 9.962 -10.997 -3.295 1.00 0.00 H new ATOM 0 HB2 ASP B 77 10.135 -11.360 -6.327 1.00 0.00 H new ATOM 0 HB3 ASP B 77 11.216 -10.373 -5.364 1.00 0.00 H new ATOM 2595 N CYS B 78 7.405 -10.063 -4.899 1.00 0.00 N ATOM 2596 CA CYS B 78 6.563 -8.955 -5.327 1.00 0.00 C ATOM 2597 C CYS B 78 5.843 -8.323 -4.138 1.00 0.00 C ATOM 2598 O CYS B 78 5.445 -9.017 -3.199 1.00 0.00 O ATOM 2599 CB CYS B 78 5.543 -9.419 -6.372 1.00 0.00 C ATOM 2600 SG CYS B 78 4.190 -10.428 -5.722 1.00 0.00 S ATOM 0 H CYS B 78 6.932 -10.965 -4.853 1.00 0.00 H new ATOM 0 HA CYS B 78 7.210 -8.203 -5.779 1.00 0.00 H new ATOM 0 HB2 CYS B 78 5.120 -8.541 -6.860 1.00 0.00 H new ATOM 0 HB3 CYS B 78 6.066 -9.989 -7.140 1.00 0.00 H new ATOM 0 HG CYS B 78 4.598 -11.652 -5.565 1.00 0.00 H new ATOM 2606 N PRO B 79 5.665 -6.989 -4.169 1.00 0.00 N ATOM 2607 CA PRO B 79 4.973 -6.250 -3.108 1.00 0.00 C ATOM 2608 C PRO B 79 3.504 -6.659 -2.960 1.00 0.00 C ATOM 2609 O PRO B 79 2.877 -6.367 -1.943 1.00 0.00 O ATOM 2610 CB PRO B 79 5.084 -4.783 -3.544 1.00 0.00 C ATOM 2611 CG PRO B 79 5.383 -4.826 -5.002 1.00 0.00 C ATOM 2612 CD PRO B 79 6.149 -6.097 -5.235 1.00 0.00 C ATOM 0 HA PRO B 79 5.417 -6.448 -2.132 1.00 0.00 H new ATOM 0 HB2 PRO B 79 4.157 -4.244 -3.349 1.00 0.00 H new ATOM 0 HB3 PRO B 79 5.873 -4.269 -2.996 1.00 0.00 H new ATOM 0 HG2 PRO B 79 4.464 -4.812 -5.588 1.00 0.00 H new ATOM 0 HG3 PRO B 79 5.968 -3.958 -5.305 1.00 0.00 H new ATOM 0 HD2 PRO B 79 5.951 -6.509 -6.224 1.00 0.00 H new ATOM 0 HD3 PRO B 79 7.225 -5.936 -5.166 1.00 0.00 H new ATOM 2620 N VAL B 80 2.960 -7.326 -3.978 1.00 0.00 N ATOM 2621 CA VAL B 80 1.594 -7.843 -3.912 1.00 0.00 C ATOM 2622 C VAL B 80 1.453 -8.809 -2.741 1.00 0.00 C ATOM 2623 O VAL B 80 0.508 -8.723 -1.955 1.00 0.00 O ATOM 2624 CB VAL B 80 1.189 -8.571 -5.214 1.00 0.00 C ATOM 2625 CG1 VAL B 80 -0.243 -9.076 -5.137 1.00 0.00 C ATOM 2626 CG2 VAL B 80 1.364 -7.666 -6.412 1.00 0.00 C ATOM 0 H VAL B 80 3.443 -7.520 -4.855 1.00 0.00 H new ATOM 0 HA VAL B 80 0.933 -6.987 -3.776 1.00 0.00 H new ATOM 0 HB VAL B 80 1.847 -9.432 -5.331 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.500 -9.584 -6.067 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -0.339 -9.773 -4.304 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.918 -8.234 -4.985 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.073 -8.200 -7.317 1.00 0.00 H new ATOM 0 HG22 VAL B 80 0.737 -6.782 -6.295 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.408 -7.363 -6.490 1.00 0.00 H new ATOM 2636 N VAL B 81 2.414 -9.716 -2.620 1.00 0.00 N ATOM 2637 CA VAL B 81 2.418 -10.687 -1.536 1.00 0.00 C ATOM 2638 C VAL B 81 2.593 -9.982 -0.194 1.00 0.00 C ATOM 2639 O VAL B 81 1.931 -10.327 0.787 1.00 0.00 O ATOM 2640 CB VAL B 81 3.540 -11.732 -1.720 1.00 0.00 C ATOM 2641 CG1 VAL B 81 3.607 -12.685 -0.535 1.00 0.00 C ATOM 2642 CG2 VAL B 81 3.335 -12.509 -3.011 1.00 0.00 C ATOM 0 H VAL B 81 3.202 -9.799 -3.262 1.00 0.00 H new ATOM 0 HA VAL B 81 1.459 -11.205 -1.554 1.00 0.00 H new ATOM 0 HB VAL B 81 4.488 -11.198 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.407 -13.408 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.806 -12.120 0.376 1.00 0.00 H new ATOM 0 HG13 VAL B 81 2.657 -13.210 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL B 81 4.134 -13.241 -3.126 1.00 0.00 H new ATOM 0 HG22 VAL B 81 2.374 -13.023 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL B 81 3.350 -11.821 -3.856 1.00 0.00 H new ATOM 2652 N ILE B 82 3.468 -8.982 -0.173 1.00 0.00 N ATOM 2653 CA ILE B 82 3.733 -8.197 1.032 1.00 0.00 C ATOM 2654 C ILE B 82 2.461 -7.522 1.544 1.00 0.00 C ATOM 2655 O ILE B 82 2.114 -7.643 2.716 1.00 0.00 O ATOM 2656 CB ILE B 82 4.811 -7.121 0.763 1.00 0.00 C ATOM 2657 CG1 ILE B 82 6.124 -7.777 0.313 1.00 0.00 C ATOM 2658 CG2 ILE B 82 5.033 -6.263 2.002 1.00 0.00 C ATOM 2659 CD1 ILE B 82 6.747 -8.680 1.355 1.00 0.00 C ATOM 0 H ILE B 82 4.012 -8.692 -0.986 1.00 0.00 H new ATOM 0 HA ILE B 82 4.097 -8.887 1.794 1.00 0.00 H new ATOM 0 HB ILE B 82 4.459 -6.473 -0.040 1.00 0.00 H new ATOM 0 HG12 ILE B 82 5.938 -8.356 -0.591 1.00 0.00 H new ATOM 0 HG13 ILE B 82 6.837 -6.996 0.050 1.00 0.00 H new ATOM 0 HG21 ILE B 82 5.795 -5.512 1.793 1.00 0.00 H new ATOM 0 HG22 ILE B 82 4.101 -5.768 2.274 1.00 0.00 H new ATOM 0 HG23 ILE B 82 5.363 -6.894 2.827 1.00 0.00 H new ATOM 0 HD11 ILE B 82 7.670 -9.106 0.962 1.00 0.00 H new ATOM 0 HD12 ILE B 82 6.967 -8.102 2.253 1.00 0.00 H new ATOM 0 HD13 ILE B 82 6.053 -9.484 1.602 1.00 0.00 H new ATOM 2671 N ALA B 83 1.758 -6.835 0.649 1.00 0.00 N ATOM 2672 CA ALA B 83 0.552 -6.094 1.012 1.00 0.00 C ATOM 2673 C ALA B 83 -0.486 -6.992 1.678 1.00 0.00 C ATOM 2674 O ALA B 83 -0.977 -6.689 2.767 1.00 0.00 O ATOM 2675 CB ALA B 83 -0.042 -5.428 -0.219 1.00 0.00 C ATOM 0 H ALA B 83 2.004 -6.775 -0.339 1.00 0.00 H new ATOM 0 HA ALA B 83 0.838 -5.329 1.734 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -0.940 -4.878 0.062 1.00 0.00 H new ATOM 0 HB2 ALA B 83 0.686 -4.739 -0.647 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -0.298 -6.189 -0.956 1.00 0.00 H new ATOM 2681 N LYS B 84 -0.809 -8.106 1.036 1.00 0.00 N ATOM 2682 CA LYS B 84 -1.808 -9.016 1.580 1.00 0.00 C ATOM 2683 C LYS B 84 -1.285 -9.746 2.812 1.00 0.00 C ATOM 2684 O LYS B 84 -2.056 -10.161 3.679 1.00 0.00 O ATOM 2685 CB LYS B 84 -2.326 -9.996 0.525 1.00 0.00 C ATOM 2686 CG LYS B 84 -1.270 -10.803 -0.214 1.00 0.00 C ATOM 2687 CD LYS B 84 -1.937 -11.751 -1.203 1.00 0.00 C ATOM 2688 CE LYS B 84 -0.931 -12.493 -2.067 1.00 0.00 C ATOM 2689 NZ LYS B 84 -1.602 -13.493 -2.942 1.00 0.00 N ATOM 0 H LYS B 84 -0.400 -8.399 0.149 1.00 0.00 H new ATOM 0 HA LYS B 84 -2.657 -8.408 1.893 1.00 0.00 H new ATOM 0 HB2 LYS B 84 -3.012 -10.691 1.010 1.00 0.00 H new ATOM 0 HB3 LYS B 84 -2.905 -9.436 -0.209 1.00 0.00 H new ATOM 0 HG2 LYS B 84 -0.591 -10.133 -0.741 1.00 0.00 H new ATOM 0 HG3 LYS B 84 -0.670 -11.370 0.498 1.00 0.00 H new ATOM 0 HD2 LYS B 84 -2.544 -12.473 -0.656 1.00 0.00 H new ATOM 0 HD3 LYS B 84 -2.614 -11.185 -1.843 1.00 0.00 H new ATOM 0 HE2 LYS B 84 -0.381 -11.780 -2.681 1.00 0.00 H new ATOM 0 HE3 LYS B 84 -0.202 -12.995 -1.431 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 -0.889 -13.983 -3.519 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 -2.107 -14.186 -2.353 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 -2.280 -13.010 -3.565 1.00 0.00 H new ATOM 2703 N GLN B 85 0.026 -9.903 2.880 1.00 0.00 N ATOM 2704 CA GLN B 85 0.677 -10.461 4.061 1.00 0.00 C ATOM 2705 C GLN B 85 0.411 -9.583 5.287 1.00 0.00 C ATOM 2706 O GLN B 85 0.167 -10.087 6.380 1.00 0.00 O ATOM 2707 CB GLN B 85 2.183 -10.577 3.810 1.00 0.00 C ATOM 2708 CG GLN B 85 2.993 -11.043 5.008 1.00 0.00 C ATOM 2709 CD GLN B 85 4.479 -11.089 4.711 1.00 0.00 C ATOM 2710 OE1 GLN B 85 5.008 -12.112 4.274 1.00 0.00 O ATOM 2711 NE2 GLN B 85 5.159 -9.975 4.926 1.00 0.00 N ATOM 0 H GLN B 85 0.667 -9.651 2.128 1.00 0.00 H new ATOM 0 HA GLN B 85 0.267 -11.452 4.255 1.00 0.00 H new ATOM 0 HB2 GLN B 85 2.348 -11.271 2.985 1.00 0.00 H new ATOM 0 HB3 GLN B 85 2.560 -9.606 3.490 1.00 0.00 H new ATOM 0 HG2 GLN B 85 2.813 -10.373 5.849 1.00 0.00 H new ATOM 0 HG3 GLN B 85 2.654 -12.034 5.311 1.00 0.00 H new ATOM 0 HE21 GLN B 85 4.683 -9.149 5.289 1.00 0.00 H new ATOM 0 HE22 GLN B 85 6.159 -9.942 4.729 1.00 0.00 H new ATOM 2720 N ILE B 86 0.442 -8.269 5.080 1.00 0.00 N ATOM 2721 CA ILE B 86 0.244 -7.310 6.163 1.00 0.00 C ATOM 2722 C ILE B 86 -1.223 -7.223 6.578 1.00 0.00 C ATOM 2723 O ILE B 86 -1.538 -7.190 7.771 1.00 0.00 O ATOM 2724 CB ILE B 86 0.735 -5.904 5.763 1.00 0.00 C ATOM 2725 CG1 ILE B 86 2.215 -5.948 5.387 1.00 0.00 C ATOM 2726 CG2 ILE B 86 0.498 -4.908 6.893 1.00 0.00 C ATOM 2727 CD1 ILE B 86 2.734 -4.640 4.844 1.00 0.00 C ATOM 0 H ILE B 86 0.603 -7.843 4.168 1.00 0.00 H new ATOM 0 HA ILE B 86 0.831 -7.671 7.008 1.00 0.00 H new ATOM 0 HB ILE B 86 0.165 -5.573 4.895 1.00 0.00 H new ATOM 0 HG12 ILE B 86 2.797 -6.225 6.266 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.370 -6.729 4.643 1.00 0.00 H new ATOM 0 HG21 ILE B 86 0.852 -3.923 6.590 1.00 0.00 H new ATOM 0 HG22 ILE B 86 -0.568 -4.858 7.116 1.00 0.00 H new ATOM 0 HG23 ILE B 86 1.040 -5.230 7.782 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.791 -4.742 4.597 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.176 -4.372 3.947 1.00 0.00 H new ATOM 0 HD13 ILE B 86 2.610 -3.860 5.595 1.00 0.00 H new ATOM 2739 N LEU B 87 -2.121 -7.188 5.593 1.00 0.00 N ATOM 2740 CA LEU B 87 -3.545 -7.057 5.883 1.00 0.00 C ATOM 2741 C LEU B 87 -4.072 -8.302 6.588 1.00 0.00 C ATOM 2742 O LEU B 87 -5.149 -8.281 7.183 1.00 0.00 O ATOM 2743 CB LEU B 87 -4.354 -6.742 4.609 1.00 0.00 C ATOM 2744 CG LEU B 87 -4.307 -7.778 3.477 1.00 0.00 C ATOM 2745 CD1 LEU B 87 -5.266 -8.933 3.736 1.00 0.00 C ATOM 2746 CD2 LEU B 87 -4.628 -7.114 2.148 1.00 0.00 C ATOM 0 H LEU B 87 -1.890 -7.248 4.601 1.00 0.00 H new ATOM 0 HA LEU B 87 -3.672 -6.212 6.560 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -5.396 -6.602 4.896 1.00 0.00 H new ATOM 0 HB3 LEU B 87 -4.002 -5.790 4.211 1.00 0.00 H new ATOM 0 HG LEU B 87 -3.298 -8.188 3.439 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -5.206 -9.647 2.914 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -4.995 -9.429 4.668 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -6.284 -8.551 3.811 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -4.592 -7.857 1.352 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -5.625 -6.677 2.191 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -3.897 -6.331 1.947 1.00 0.00 H new ATOM 2758 N SER B 88 -3.310 -9.382 6.520 1.00 0.00 N ATOM 2759 CA SER B 88 -3.626 -10.580 7.261 1.00 0.00 C ATOM 2760 C SER B 88 -3.046 -10.478 8.670 1.00 0.00 C ATOM 2761 O SER B 88 -1.863 -10.736 8.889 1.00 0.00 O ATOM 2762 CB SER B 88 -3.068 -11.798 6.527 1.00 0.00 C ATOM 2763 OG SER B 88 -3.576 -11.864 5.202 1.00 0.00 O ATOM 0 H SER B 88 -2.464 -9.448 5.954 1.00 0.00 H new ATOM 0 HA SER B 88 -4.707 -10.691 7.341 1.00 0.00 H new ATOM 0 HB2 SER B 88 -1.980 -11.746 6.502 1.00 0.00 H new ATOM 0 HB3 SER B 88 -3.331 -12.707 7.068 1.00 0.00 H new ATOM 0 HG SER B 88 -3.158 -11.165 4.656 1.00 0.00 H new ATOM 2769 N SER B 89 -3.878 -10.059 9.614 1.00 0.00 N ATOM 2770 CA SER B 89 -3.436 -9.827 10.980 1.00 0.00 C ATOM 2771 C SER B 89 -2.983 -11.118 11.664 1.00 0.00 C ATOM 2772 O SER B 89 -3.784 -12.028 11.891 1.00 0.00 O ATOM 2773 CB SER B 89 -4.560 -9.159 11.771 1.00 0.00 C ATOM 2774 OG SER B 89 -5.807 -9.783 11.504 1.00 0.00 O ATOM 0 H SER B 89 -4.868 -9.872 9.456 1.00 0.00 H new ATOM 0 HA SER B 89 -2.569 -9.167 10.950 1.00 0.00 H new ATOM 0 HB2 SER B 89 -4.342 -9.214 12.838 1.00 0.00 H new ATOM 0 HB3 SER B 89 -4.615 -8.102 11.511 1.00 0.00 H new ATOM 0 HG SER B 89 -5.697 -10.757 11.528 1.00 0.00 H new