USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 510 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 54 THR OG1 : rot -75:sc= 0.681 USER MOD Set 1.2: A 55 ASN : amide:sc= 0.587 K(o=1.3,f=-0.067) USER MOD Set 2.1: A 48 TYR OH : rot 18:sc= -0.645 USER MOD Set 2.2: A 74 HIS : no HD1:sc= 0.419 K(o=-0.23,f=-2.9) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 36:sc= -0.793! USER MOD Single : A 29 ASN : amide:sc= -5.63! C(o=-5.6!,f=-4.5!) USER MOD Single : A 34 ASN : amide:sc= -6.09! C(o=-6.1!,f=-5.2!) USER MOD Single : A 37 GLN : amide:sc= -3.36! K(o=-3.4!,f=-1.1) USER MOD Single : A 38 GLN : amide:sc= -15.1! C(o=-15!,f=-13!) USER MOD Single : A 40 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.6) USER MOD Single : A 43 ASN : amide:sc= -3.59! C(o=-3.6!,f=-2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -5.64! C(o=-5.6!,f=-5.7!) USER MOD Single : A 59 GLN : amide:sc= -1.65! K(o=-1.6!,f=-0.058) USER MOD Single : A 61 MET CE :methyl -179:sc= -3.18! (180deg=-3.18!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.48 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 69 GLN : amide:sc= -10.6! C(o=-11!,f=-10!) USER MOD Single : A 71 LYS NZ :NH3+ -160:sc= -0.0681 (180deg=-0.446) USER MOD Single : A 78 THR OG1 : rot 81:sc= 0.39 USER MOD ----------------------------------------------------------------- ATOM 196 N VAL A 14 -6.465 8.404 0.146 1.00 0.00 N ATOM 197 CA VAL A 14 -6.509 8.837 -1.247 1.00 0.00 C ATOM 198 C VAL A 14 -5.220 9.563 -1.610 1.00 0.00 C ATOM 199 O VAL A 14 -4.768 9.503 -2.751 1.00 0.00 O ATOM 200 CB VAL A 14 -7.738 9.729 -1.551 1.00 0.00 C ATOM 201 CG1 VAL A 14 -7.593 10.438 -2.894 1.00 0.00 C ATOM 202 CG2 VAL A 14 -9.005 8.888 -1.543 1.00 0.00 C ATOM 0 HA VAL A 14 -6.607 7.943 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.802 10.490 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.473 11.055 -3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.704 11.068 -2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.499 9.697 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.865 9.523 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.930 8.110 -2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.130 8.427 -0.563 1.00 0.00 H new ATOM 212 N THR A 15 -4.621 10.242 -0.643 1.00 0.00 N ATOM 213 CA THR A 15 -3.266 10.740 -0.822 1.00 0.00 C ATOM 214 C THR A 15 -2.340 9.541 -1.020 1.00 0.00 C ATOM 215 O THR A 15 -1.553 9.458 -1.987 1.00 0.00 O ATOM 216 CB THR A 15 -2.814 11.566 0.401 1.00 0.00 C ATOM 217 OG1 THR A 15 -3.781 12.590 0.677 1.00 0.00 O ATOM 218 CG2 THR A 15 -1.448 12.198 0.163 1.00 0.00 C ATOM 0 H THR A 15 -5.044 10.458 0.260 1.00 0.00 H new ATOM 0 HA THR A 15 -3.230 11.395 -1.692 1.00 0.00 H new ATOM 0 HB THR A 15 -2.735 10.895 1.256 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.492 13.112 1.455 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.155 12.774 1.041 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.712 11.415 -0.020 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.498 12.858 -0.703 1.00 0.00 H new ATOM 226 N GLU A 16 -2.489 8.577 -0.119 1.00 0.00 N ATOM 227 CA GLU A 16 -1.814 7.308 -0.247 1.00 0.00 C ATOM 228 C GLU A 16 -2.192 6.660 -1.573 1.00 0.00 C ATOM 229 O GLU A 16 -1.335 6.147 -2.273 1.00 0.00 O ATOM 230 CB GLU A 16 -2.163 6.404 0.933 1.00 0.00 C ATOM 231 CG GLU A 16 -1.651 6.946 2.260 1.00 0.00 C ATOM 232 CD GLU A 16 -2.089 6.120 3.452 1.00 0.00 C ATOM 233 OE1 GLU A 16 -1.404 5.127 3.772 1.00 0.00 O ATOM 234 OE2 GLU A 16 -3.103 6.485 4.087 1.00 0.00 O ATOM 0 H GLU A 16 -3.077 8.659 0.710 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.735 7.466 -0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.245 6.285 0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.742 5.413 0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.562 6.984 2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.003 7.970 2.387 1.00 0.00 H new ATOM 241 N LEU A 17 -3.479 6.723 -1.928 1.00 0.00 N ATOM 242 CA LEU A 17 -3.953 6.226 -3.221 1.00 0.00 C ATOM 243 C LEU A 17 -3.169 6.859 -4.373 1.00 0.00 C ATOM 244 O LEU A 17 -2.717 6.174 -5.303 1.00 0.00 O ATOM 245 CB LEU A 17 -5.442 6.524 -3.410 1.00 0.00 C ATOM 246 CG LEU A 17 -6.348 5.297 -3.487 1.00 0.00 C ATOM 247 CD1 LEU A 17 -7.807 5.718 -3.568 1.00 0.00 C ATOM 248 CD2 LEU A 17 -5.978 4.435 -4.684 1.00 0.00 C ATOM 0 H LEU A 17 -4.212 7.114 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.797 5.147 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.778 7.152 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.566 7.105 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.207 4.708 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.439 4.832 -3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.069 6.296 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.961 6.328 -4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.634 3.565 -4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.091 5.016 -5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.943 4.105 -4.589 1.00 0.00 H new ATOM 260 N GLU A 18 -3.006 8.176 -4.277 1.00 0.00 N ATOM 261 CA GLU A 18 -2.342 8.972 -5.298 1.00 0.00 C ATOM 262 C GLU A 18 -0.941 8.446 -5.585 1.00 0.00 C ATOM 263 O GLU A 18 -0.511 8.429 -6.739 1.00 0.00 O ATOM 264 CB GLU A 18 -2.295 10.439 -4.862 1.00 0.00 C ATOM 265 CG GLU A 18 -1.756 11.387 -5.921 1.00 0.00 C ATOM 266 CD GLU A 18 -1.928 12.840 -5.532 1.00 0.00 C ATOM 267 OE1 GLU A 18 -1.075 13.370 -4.791 1.00 0.00 O ATOM 268 OE2 GLU A 18 -2.923 13.459 -5.964 1.00 0.00 O ATOM 0 H GLU A 18 -3.335 8.722 -3.481 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.914 8.896 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.300 10.756 -4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.676 10.521 -3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.699 11.180 -6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.268 11.203 -6.865 1.00 0.00 H new ATOM 275 N CYS A 19 -0.222 8.006 -4.558 1.00 0.00 N ATOM 276 CA CYS A 19 1.082 7.395 -4.817 1.00 0.00 C ATOM 277 C CYS A 19 0.971 5.873 -4.935 1.00 0.00 C ATOM 278 O CYS A 19 1.845 5.221 -5.509 1.00 0.00 O ATOM 279 CB CYS A 19 2.122 7.772 -3.769 1.00 0.00 C ATOM 280 SG CYS A 19 3.824 7.371 -4.297 1.00 0.00 S ATOM 0 H CYS A 19 -0.501 8.055 -3.578 1.00 0.00 H new ATOM 0 HA CYS A 19 1.423 7.794 -5.772 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.052 8.839 -3.560 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.901 7.250 -2.838 1.00 0.00 H new ATOM 285 N ILE A 20 -0.118 5.312 -4.418 1.00 0.00 N ATOM 286 CA ILE A 20 -0.426 3.887 -4.587 1.00 0.00 C ATOM 287 C ILE A 20 -0.695 3.579 -6.072 1.00 0.00 C ATOM 288 O ILE A 20 -0.868 2.432 -6.485 1.00 0.00 O ATOM 289 CB ILE A 20 -1.599 3.458 -3.650 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.054 3.107 -2.260 1.00 0.00 C ATOM 291 CG2 ILE A 20 -2.413 2.292 -4.198 1.00 0.00 C ATOM 292 CD1 ILE A 20 -2.134 2.867 -1.228 1.00 0.00 C ATOM 0 H ILE A 20 -0.811 5.825 -3.873 1.00 0.00 H new ATOM 0 HA ILE A 20 0.435 3.290 -4.288 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.277 4.309 -3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.433 2.215 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.409 3.916 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.211 2.045 -3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.846 2.570 -5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.765 1.426 -4.329 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.674 2.624 -0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.741 3.766 -1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.765 2.038 -1.548 1.00 0.00 H new ATOM 304 N ARG A 21 -0.686 4.629 -6.887 1.00 0.00 N ATOM 305 CA ARG A 21 -0.562 4.480 -8.342 1.00 0.00 C ATOM 306 C ARG A 21 0.748 3.818 -8.729 1.00 0.00 C ATOM 307 O ARG A 21 1.015 3.587 -9.907 1.00 0.00 O ATOM 308 CB ARG A 21 -0.736 5.826 -9.040 1.00 0.00 C ATOM 309 CG ARG A 21 -2.074 6.476 -8.741 1.00 0.00 C ATOM 310 CD ARG A 21 -2.214 7.817 -9.435 1.00 0.00 C ATOM 311 NE ARG A 21 -3.458 8.484 -9.065 1.00 0.00 N ATOM 312 CZ ARG A 21 -3.571 9.795 -8.883 1.00 0.00 C ATOM 313 NH1 ARG A 21 -2.522 10.590 -9.061 1.00 0.00 N ATOM 314 NH2 ARG A 21 -4.734 10.309 -8.518 1.00 0.00 N ATOM 0 H ARG A 21 -0.763 5.595 -6.569 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.362 3.821 -8.678 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.066 6.497 -8.730 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.637 5.687 -10.117 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.879 5.815 -9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.181 6.610 -7.665 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.368 8.453 -9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.184 7.674 -10.515 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.291 7.909 -8.939 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.624 10.195 -9.339 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.615 11.596 -8.920 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.539 9.699 -8.377 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.825 11.315 -8.377 1.00 0.00 H new ATOM 328 N LEU A 22 1.554 3.539 -7.721 1.00 0.00 N ATOM 329 CA LEU A 22 2.651 2.618 -7.817 1.00 0.00 C ATOM 330 C LEU A 22 3.581 2.888 -8.996 1.00 0.00 C ATOM 331 O LEU A 22 4.024 1.976 -9.687 1.00 0.00 O ATOM 332 CB LEU A 22 2.045 1.234 -7.851 1.00 0.00 C ATOM 333 CG LEU A 22 2.203 0.416 -6.564 1.00 0.00 C ATOM 334 CD1 LEU A 22 1.558 1.120 -5.383 1.00 0.00 C ATOM 335 CD2 LEU A 22 1.603 -0.966 -6.735 1.00 0.00 C ATOM 0 H LEU A 22 1.455 3.960 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 22 3.308 2.733 -6.955 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.982 1.326 -8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.496 0.678 -8.673 1.00 0.00 H new ATOM 0 HG LEU A 22 3.270 0.317 -6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.686 0.516 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.029 2.092 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.495 1.258 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.724 -1.532 -5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.542 -0.876 -6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.111 -1.485 -7.548 1.00 0.00 H new ATOM 347 N ARG A 23 3.857 4.158 -9.225 1.00 0.00 N ATOM 348 CA ARG A 23 5.051 4.547 -9.953 1.00 0.00 C ATOM 349 C ARG A 23 6.093 4.900 -8.909 1.00 0.00 C ATOM 350 O ARG A 23 7.089 5.565 -9.184 1.00 0.00 O ATOM 351 CB ARG A 23 4.795 5.734 -10.890 1.00 0.00 C ATOM 352 CG ARG A 23 3.952 5.400 -12.115 1.00 0.00 C ATOM 353 CD ARG A 23 4.578 4.294 -12.961 1.00 0.00 C ATOM 354 NE ARG A 23 5.980 4.563 -13.293 1.00 0.00 N ATOM 355 CZ ARG A 23 6.506 4.428 -14.514 1.00 0.00 C ATOM 356 NH1 ARG A 23 5.749 4.055 -15.539 1.00 0.00 N ATOM 357 NH2 ARG A 23 7.798 4.663 -14.705 1.00 0.00 N ATOM 0 H ARG A 23 3.273 4.936 -8.919 1.00 0.00 H new ATOM 0 HA ARG A 23 5.385 3.730 -10.593 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.299 6.525 -10.327 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.754 6.132 -11.222 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.956 5.092 -11.796 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.828 6.295 -12.724 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.511 3.348 -12.423 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.006 4.178 -13.882 1.00 0.00 H new ATOM 0 HE ARG A 23 6.596 4.874 -12.542 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.756 3.869 -15.398 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.160 3.955 -16.467 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.386 4.946 -13.921 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.203 4.561 -15.636 1.00 0.00 H new ATOM 371 N ILE A 24 5.785 4.456 -7.688 1.00 0.00 N ATOM 372 CA ILE A 24 6.599 4.690 -6.489 1.00 0.00 C ATOM 373 C ILE A 24 8.104 4.474 -6.707 1.00 0.00 C ATOM 374 O ILE A 24 8.819 5.400 -7.089 1.00 0.00 O ATOM 375 CB ILE A 24 6.120 3.791 -5.324 1.00 0.00 C ATOM 376 CG1 ILE A 24 4.593 3.828 -5.226 1.00 0.00 C ATOM 377 CG2 ILE A 24 6.740 4.239 -4.023 1.00 0.00 C ATOM 378 CD1 ILE A 24 4.043 3.265 -3.932 1.00 0.00 C ATOM 0 H ILE A 24 4.944 3.911 -7.499 1.00 0.00 H new ATOM 0 HA ILE A 24 6.461 5.743 -6.243 1.00 0.00 H new ATOM 0 HB ILE A 24 6.435 2.766 -5.521 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.258 4.860 -5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.172 3.268 -6.061 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.393 3.596 -3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.826 4.175 -4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.450 5.269 -3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.955 3.328 -3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.346 2.223 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.432 3.839 -3.091 1.00 0.00 H new ATOM 390 N SER A 25 8.563 3.260 -6.422 1.00 0.00 N ATOM 391 CA SER A 25 9.974 2.879 -6.563 1.00 0.00 C ATOM 392 C SER A 25 10.210 1.438 -6.059 1.00 0.00 C ATOM 393 O SER A 25 10.640 0.579 -6.825 1.00 0.00 O ATOM 394 CB SER A 25 10.911 3.858 -5.832 1.00 0.00 C ATOM 395 OG SER A 25 12.268 3.445 -5.908 1.00 0.00 O ATOM 0 H SER A 25 7.967 2.504 -6.084 1.00 0.00 H new ATOM 0 HA SER A 25 10.211 2.923 -7.626 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.809 4.852 -6.267 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.612 3.935 -4.787 1.00 0.00 H new ATOM 0 HG SER A 25 12.833 4.091 -5.435 1.00 0.00 H new ATOM 401 N PRO A 26 9.922 1.162 -4.758 1.00 0.00 N ATOM 402 CA PRO A 26 10.185 -0.149 -4.109 1.00 0.00 C ATOM 403 C PRO A 26 9.441 -1.351 -4.710 1.00 0.00 C ATOM 404 O PRO A 26 8.831 -1.264 -5.776 1.00 0.00 O ATOM 405 CB PRO A 26 9.673 0.094 -2.681 1.00 0.00 C ATOM 406 CG PRO A 26 9.815 1.546 -2.485 1.00 0.00 C ATOM 407 CD PRO A 26 9.368 2.120 -3.782 1.00 0.00 C ATOM 0 HA PRO A 26 11.235 -0.421 -4.216 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.636 -0.222 -2.571 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.256 -0.465 -1.949 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.201 1.901 -1.657 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.845 1.821 -2.259 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.282 2.183 -3.846 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.755 3.127 -3.936 1.00 0.00 H new ATOM 415 N GLU A 27 9.479 -2.477 -3.971 1.00 0.00 N ATOM 416 CA GLU A 27 8.732 -3.707 -4.305 1.00 0.00 C ATOM 417 C GLU A 27 7.234 -3.473 -4.289 1.00 0.00 C ATOM 418 O GLU A 27 6.460 -4.408 -4.461 1.00 0.00 O ATOM 419 CB GLU A 27 9.060 -4.850 -3.342 1.00 0.00 C ATOM 420 CG GLU A 27 10.544 -5.135 -3.263 1.00 0.00 C ATOM 421 CD GLU A 27 10.878 -6.355 -2.439 1.00 0.00 C ATOM 422 OE1 GLU A 27 10.476 -7.467 -2.834 1.00 0.00 O ATOM 423 OE2 GLU A 27 11.573 -6.207 -1.413 1.00 0.00 O ATOM 0 H GLU A 27 10.033 -2.560 -3.119 1.00 0.00 H new ATOM 0 HA GLU A 27 9.043 -3.986 -5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.688 -4.601 -2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.537 -5.751 -3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.935 -5.269 -4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.051 -4.269 -2.838 1.00 0.00 H new ATOM 430 N THR A 28 6.860 -2.236 -4.001 1.00 0.00 N ATOM 431 CA THR A 28 5.479 -1.799 -3.930 1.00 0.00 C ATOM 432 C THR A 28 4.568 -2.538 -4.912 1.00 0.00 C ATOM 433 O THR A 28 3.532 -3.061 -4.517 1.00 0.00 O ATOM 434 CB THR A 28 5.405 -0.282 -4.210 1.00 0.00 C ATOM 435 OG1 THR A 28 4.070 0.184 -4.075 1.00 0.00 O ATOM 436 CG2 THR A 28 5.917 0.053 -5.598 1.00 0.00 C ATOM 0 H THR A 28 7.528 -1.491 -3.805 1.00 0.00 H new ATOM 0 HA THR A 28 5.123 -2.027 -2.925 1.00 0.00 H new ATOM 0 HB THR A 28 6.041 0.215 -3.477 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.626 -0.300 -3.348 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.850 1.129 -5.761 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.956 -0.264 -5.689 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.313 -0.465 -6.343 1.00 0.00 H new ATOM 444 N ASN A 29 4.972 -2.626 -6.169 1.00 0.00 N ATOM 445 CA ASN A 29 4.120 -3.209 -7.180 1.00 0.00 C ATOM 446 C ASN A 29 4.041 -4.707 -7.001 1.00 0.00 C ATOM 447 O ASN A 29 2.959 -5.241 -6.835 1.00 0.00 O ATOM 448 CB ASN A 29 4.597 -2.828 -8.581 1.00 0.00 C ATOM 449 CG ASN A 29 3.962 -1.529 -9.044 1.00 0.00 C ATOM 450 OD1 ASN A 29 2.949 -1.537 -9.739 1.00 0.00 O ATOM 451 ND2 ASN A 29 4.524 -0.402 -8.631 1.00 0.00 N ATOM 0 H ASN A 29 5.878 -2.303 -6.507 1.00 0.00 H new ATOM 0 HA ASN A 29 3.113 -2.808 -7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.682 -2.726 -8.583 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.350 -3.626 -9.281 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.115 0.496 -8.889 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.365 -0.433 -8.055 1.00 0.00 H new ATOM 458 N ALA A 30 5.188 -5.365 -6.970 1.00 0.00 N ATOM 459 CA ALA A 30 5.238 -6.807 -6.781 1.00 0.00 C ATOM 460 C ALA A 30 4.528 -7.220 -5.491 1.00 0.00 C ATOM 461 O ALA A 30 3.517 -7.941 -5.510 1.00 0.00 O ATOM 462 CB ALA A 30 6.693 -7.265 -6.748 1.00 0.00 C ATOM 0 H ALA A 30 6.101 -4.922 -7.074 1.00 0.00 H new ATOM 0 HA ALA A 30 4.722 -7.284 -7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.731 -8.345 -6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.178 -7.005 -7.689 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.211 -6.773 -5.925 1.00 0.00 H new ATOM 468 N ALA A 31 5.040 -6.702 -4.383 1.00 0.00 N ATOM 469 CA ALA A 31 4.613 -7.106 -3.055 1.00 0.00 C ATOM 470 C ALA A 31 3.146 -6.786 -2.796 1.00 0.00 C ATOM 471 O ALA A 31 2.367 -7.679 -2.449 1.00 0.00 O ATOM 472 CB ALA A 31 5.496 -6.449 -2.009 1.00 0.00 C ATOM 0 H ALA A 31 5.767 -5.986 -4.383 1.00 0.00 H new ATOM 0 HA ALA A 31 4.716 -8.189 -2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.171 -6.755 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.531 -6.754 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.420 -5.365 -2.098 1.00 0.00 H new ATOM 478 N PHE A 32 2.755 -5.519 -2.923 1.00 0.00 N ATOM 479 CA PHE A 32 1.361 -5.164 -2.688 1.00 0.00 C ATOM 480 C PHE A 32 0.467 -5.899 -3.670 1.00 0.00 C ATOM 481 O PHE A 32 -0.681 -6.167 -3.368 1.00 0.00 O ATOM 482 CB PHE A 32 1.097 -3.661 -2.820 1.00 0.00 C ATOM 483 CG PHE A 32 2.061 -2.831 -2.050 1.00 0.00 C ATOM 484 CD1 PHE A 32 2.982 -3.437 -1.232 1.00 0.00 C ATOM 485 CD2 PHE A 32 2.087 -1.460 -2.185 1.00 0.00 C ATOM 486 CE1 PHE A 32 3.919 -2.716 -0.577 1.00 0.00 C ATOM 487 CE2 PHE A 32 3.026 -0.722 -1.505 1.00 0.00 C ATOM 488 CZ PHE A 32 3.945 -1.369 -0.708 1.00 0.00 C ATOM 0 H PHE A 32 3.365 -4.743 -3.180 1.00 0.00 H new ATOM 0 HA PHE A 32 1.137 -5.455 -1.662 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.144 -3.381 -3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.085 -3.444 -2.478 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.957 -4.510 -1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.370 -0.966 -2.824 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.645 -3.213 0.049 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.043 0.354 -1.594 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.694 -0.795 -0.182 1.00 0.00 H new ATOM 498 N ASP A 33 0.995 -6.233 -4.849 1.00 0.00 N ATOM 499 CA ASP A 33 0.189 -6.870 -5.867 1.00 0.00 C ATOM 500 C ASP A 33 -0.306 -8.202 -5.372 1.00 0.00 C ATOM 501 O ASP A 33 -1.490 -8.462 -5.449 1.00 0.00 O ATOM 502 CB ASP A 33 0.946 -7.063 -7.174 1.00 0.00 C ATOM 503 CG ASP A 33 0.041 -7.577 -8.273 1.00 0.00 C ATOM 504 OD1 ASP A 33 -0.740 -6.773 -8.824 1.00 0.00 O ATOM 505 OD2 ASP A 33 0.099 -8.784 -8.588 1.00 0.00 O ATOM 0 H ASP A 33 1.967 -6.071 -5.112 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.652 -6.207 -6.069 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.390 -6.116 -7.481 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.766 -7.764 -7.020 1.00 0.00 H new ATOM 510 N ASN A 34 0.589 -9.032 -4.841 1.00 0.00 N ATOM 511 CA ASN A 34 0.176 -10.337 -4.317 1.00 0.00 C ATOM 512 C ASN A 34 -0.626 -10.193 -3.007 1.00 0.00 C ATOM 513 O ASN A 34 -1.517 -10.995 -2.721 1.00 0.00 O ATOM 514 CB ASN A 34 1.377 -11.288 -4.164 1.00 0.00 C ATOM 515 CG ASN A 34 2.491 -10.748 -3.293 1.00 0.00 C ATOM 516 OD1 ASN A 34 3.303 -9.947 -3.736 1.00 0.00 O ATOM 517 ND2 ASN A 34 2.589 -11.242 -2.076 1.00 0.00 N ATOM 0 H ASN A 34 1.586 -8.833 -4.761 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.494 -10.790 -5.048 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.028 -12.231 -3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.779 -11.509 -5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.360 -10.958 -1.471 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.894 -11.908 -1.738 1.00 0.00 H new ATOM 524 N ALA A 35 -0.337 -9.151 -2.237 1.00 0.00 N ATOM 525 CA ALA A 35 -1.139 -8.812 -1.050 1.00 0.00 C ATOM 526 C ALA A 35 -2.571 -8.433 -1.447 1.00 0.00 C ATOM 527 O ALA A 35 -3.558 -9.040 -1.009 1.00 0.00 O ATOM 528 CB ALA A 35 -0.478 -7.668 -0.301 1.00 0.00 C ATOM 0 H ALA A 35 0.446 -8.520 -2.407 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.191 -9.686 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.072 -7.417 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.523 -7.967 0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.410 -6.797 -0.953 1.00 0.00 H new ATOM 534 N VAL A 36 -2.678 -7.442 -2.293 1.00 0.00 N ATOM 535 CA VAL A 36 -3.955 -6.951 -2.757 1.00 0.00 C ATOM 536 C VAL A 36 -4.601 -7.971 -3.683 1.00 0.00 C ATOM 537 O VAL A 36 -5.808 -7.965 -3.897 1.00 0.00 O ATOM 538 CB VAL A 36 -3.740 -5.598 -3.448 1.00 0.00 C ATOM 539 CG1 VAL A 36 -5.054 -5.008 -3.921 1.00 0.00 C ATOM 540 CG2 VAL A 36 -3.022 -4.645 -2.496 1.00 0.00 C ATOM 0 H VAL A 36 -1.877 -6.947 -2.684 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.636 -6.805 -1.919 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.119 -5.751 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.869 -4.050 -4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.524 -5.689 -4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.715 -4.860 -3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.870 -3.685 -2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.626 -4.502 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.056 -5.067 -2.219 1.00 0.00 H new ATOM 550 N GLN A 37 -3.771 -8.856 -4.200 1.00 0.00 N ATOM 551 CA GLN A 37 -4.219 -10.048 -4.896 1.00 0.00 C ATOM 552 C GLN A 37 -5.005 -10.944 -3.943 1.00 0.00 C ATOM 553 O GLN A 37 -5.999 -11.557 -4.330 1.00 0.00 O ATOM 554 CB GLN A 37 -2.992 -10.770 -5.449 1.00 0.00 C ATOM 555 CG GLN A 37 -3.215 -12.207 -5.875 1.00 0.00 C ATOM 556 CD GLN A 37 -1.922 -12.877 -6.292 1.00 0.00 C ATOM 557 OE1 GLN A 37 -1.771 -14.088 -6.170 1.00 0.00 O ATOM 558 NE2 GLN A 37 -0.973 -12.088 -6.777 1.00 0.00 N ATOM 0 H GLN A 37 -2.756 -8.767 -4.148 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.882 -9.783 -5.720 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.618 -10.210 -6.306 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.209 -10.752 -4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.665 -12.764 -5.053 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.923 -12.235 -6.704 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.138 -11.085 -6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.078 -12.484 -7.065 1.00 0.00 H new ATOM 567 N GLN A 38 -4.542 -11.008 -2.696 1.00 0.00 N ATOM 568 CA GLN A 38 -5.250 -11.728 -1.640 1.00 0.00 C ATOM 569 C GLN A 38 -6.647 -11.193 -1.444 1.00 0.00 C ATOM 570 O GLN A 38 -7.630 -11.902 -1.666 1.00 0.00 O ATOM 571 CB GLN A 38 -4.540 -11.589 -0.308 1.00 0.00 C ATOM 572 CG GLN A 38 -3.243 -12.360 -0.204 1.00 0.00 C ATOM 573 CD GLN A 38 -2.327 -11.765 0.834 1.00 0.00 C ATOM 574 OE1 GLN A 38 -1.597 -12.472 1.523 1.00 0.00 O ATOM 575 NE2 GLN A 38 -2.365 -10.446 0.951 1.00 0.00 N ATOM 0 H GLN A 38 -3.674 -10.567 -2.391 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.280 -12.770 -1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.336 -10.534 -0.128 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.211 -11.923 0.483 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.456 -13.399 0.050 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.743 -12.364 -1.172 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.988 -9.899 0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.771 -9.977 1.636 1.00 0.00 H new ATOM 584 N LEU A 39 -6.743 -9.940 -1.009 1.00 0.00 N ATOM 585 CA LEU A 39 -8.033 -9.418 -0.601 1.00 0.00 C ATOM 586 C LEU A 39 -8.865 -9.071 -1.817 1.00 0.00 C ATOM 587 O LEU A 39 -10.093 -9.019 -1.755 1.00 0.00 O ATOM 588 CB LEU A 39 -7.879 -8.204 0.310 1.00 0.00 C ATOM 589 CG LEU A 39 -6.979 -7.096 -0.225 1.00 0.00 C ATOM 590 CD1 LEU A 39 -7.325 -5.786 0.435 1.00 0.00 C ATOM 591 CD2 LEU A 39 -5.542 -7.355 0.089 1.00 0.00 C ATOM 0 H LEU A 39 -5.964 -9.287 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.547 -10.193 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.867 -7.786 0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.484 -8.538 1.269 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.133 -7.062 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.677 -5.000 0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.365 -5.536 0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.184 -5.873 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.931 -6.544 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.410 -7.413 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.234 -8.297 -0.365 1.00 0.00 H new ATOM 603 N ASN A 40 -8.157 -8.842 -2.922 1.00 0.00 N ATOM 604 CA ASN A 40 -8.773 -8.582 -4.221 1.00 0.00 C ATOM 605 C ASN A 40 -9.785 -7.451 -4.110 1.00 0.00 C ATOM 606 O ASN A 40 -10.870 -7.476 -4.679 1.00 0.00 O ATOM 607 CB ASN A 40 -9.388 -9.876 -4.742 1.00 0.00 C ATOM 608 CG ASN A 40 -9.880 -9.795 -6.179 1.00 0.00 C ATOM 609 OD1 ASN A 40 -11.057 -9.532 -6.436 1.00 0.00 O ATOM 610 ND2 ASN A 40 -8.985 -10.034 -7.126 1.00 0.00 N ATOM 0 H ASN A 40 -7.137 -8.832 -2.941 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.023 -8.253 -4.940 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.648 -10.673 -4.667 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.223 -10.154 -4.099 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.261 -10.004 -8.108 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.020 -10.248 -6.874 1.00 0.00 H new ATOM 617 N CYS A 41 -9.381 -6.443 -3.370 1.00 0.00 N ATOM 618 CA CYS A 41 -10.230 -5.310 -3.055 1.00 0.00 C ATOM 619 C CYS A 41 -10.129 -4.239 -4.138 1.00 0.00 C ATOM 620 O CYS A 41 -10.408 -3.065 -3.887 1.00 0.00 O ATOM 621 CB CYS A 41 -9.793 -4.747 -1.711 1.00 0.00 C ATOM 622 SG CYS A 41 -11.095 -3.894 -0.760 1.00 0.00 S ATOM 0 H CYS A 41 -8.447 -6.384 -2.965 1.00 0.00 H new ATOM 0 HA CYS A 41 -11.270 -5.632 -3.007 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.399 -5.563 -1.105 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.972 -4.049 -1.878 1.00 0.00 H new ATOM 627 N LEU A 42 -9.688 -4.660 -5.329 1.00 0.00 N ATOM 628 CA LEU A 42 -9.584 -3.795 -6.507 1.00 0.00 C ATOM 629 C LEU A 42 -8.404 -2.836 -6.382 1.00 0.00 C ATOM 630 O LEU A 42 -7.472 -2.875 -7.184 1.00 0.00 O ATOM 631 CB LEU A 42 -10.885 -3.016 -6.740 1.00 0.00 C ATOM 632 CG LEU A 42 -10.915 -2.170 -8.014 1.00 0.00 C ATOM 633 CD1 LEU A 42 -10.852 -3.057 -9.250 1.00 0.00 C ATOM 634 CD2 LEU A 42 -12.153 -1.287 -8.044 1.00 0.00 C ATOM 0 H LEU A 42 -9.391 -5.620 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.413 -4.437 -7.371 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.713 -3.724 -6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.057 -2.363 -5.885 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.038 -1.523 -8.016 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.875 -2.436 -10.145 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.930 -3.638 -9.234 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.707 -3.734 -9.256 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.155 -0.694 -8.958 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.046 -1.911 -8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.147 -0.622 -7.180 1.00 0.00 H new ATOM 646 N ASN A 43 -8.442 -1.984 -5.372 1.00 0.00 N ATOM 647 CA ASN A 43 -7.370 -1.028 -5.146 1.00 0.00 C ATOM 648 C ASN A 43 -6.479 -1.467 -4.000 1.00 0.00 C ATOM 649 O ASN A 43 -6.941 -1.987 -2.978 1.00 0.00 O ATOM 650 CB ASN A 43 -7.922 0.386 -4.903 1.00 0.00 C ATOM 651 CG ASN A 43 -9.067 0.460 -3.901 1.00 0.00 C ATOM 652 OD1 ASN A 43 -9.944 1.311 -4.028 1.00 0.00 O ATOM 653 ND2 ASN A 43 -9.072 -0.394 -2.889 1.00 0.00 N ATOM 0 H ASN A 43 -9.203 -1.934 -4.695 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.763 -0.996 -6.051 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.110 1.023 -4.553 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.262 0.797 -5.854 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.816 -0.355 -2.192 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.332 -1.091 -2.806 1.00 0.00 H new ATOM 660 N ARG A 44 -5.191 -1.245 -4.187 1.00 0.00 N ATOM 661 CA ARG A 44 -4.182 -1.634 -3.219 1.00 0.00 C ATOM 662 C ARG A 44 -4.275 -0.751 -1.987 1.00 0.00 C ATOM 663 O ARG A 44 -3.723 -1.068 -0.934 1.00 0.00 O ATOM 664 CB ARG A 44 -2.799 -1.556 -3.869 1.00 0.00 C ATOM 665 CG ARG A 44 -2.673 -2.490 -5.065 1.00 0.00 C ATOM 666 CD ARG A 44 -1.303 -2.435 -5.709 1.00 0.00 C ATOM 667 NE ARG A 44 -1.173 -3.423 -6.785 1.00 0.00 N ATOM 668 CZ ARG A 44 -1.072 -3.112 -8.081 1.00 0.00 C ATOM 669 NH1 ARG A 44 -1.135 -1.843 -8.467 1.00 0.00 N ATOM 670 NH2 ARG A 44 -0.928 -4.069 -8.993 1.00 0.00 N ATOM 0 H ARG A 44 -4.814 -0.788 -5.017 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.350 -2.662 -2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.606 -0.532 -4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.038 -1.808 -3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.879 -3.512 -4.746 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.429 -2.229 -5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.128 -1.436 -6.108 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.538 -2.615 -4.954 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.159 -4.410 -6.528 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.261 -1.105 -7.774 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.058 -1.606 -9.456 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.894 -5.047 -8.705 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.851 -3.825 -9.980 1.00 0.00 H new ATOM 684 N ALA A 45 -5.020 0.339 -2.125 1.00 0.00 N ATOM 685 CA ALA A 45 -5.297 1.231 -1.014 1.00 0.00 C ATOM 686 C ALA A 45 -6.197 0.554 0.017 1.00 0.00 C ATOM 687 O ALA A 45 -6.285 0.996 1.151 1.00 0.00 O ATOM 688 CB ALA A 45 -5.945 2.511 -1.512 1.00 0.00 C ATOM 0 H ALA A 45 -5.446 0.625 -3.007 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.350 1.478 -0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.147 3.169 -0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.273 3.011 -2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.881 2.272 -2.017 1.00 0.00 H new ATOM 694 N CYS A 46 -6.859 -0.524 -0.387 1.00 0.00 N ATOM 695 CA CYS A 46 -7.737 -1.268 0.512 1.00 0.00 C ATOM 696 C CYS A 46 -6.905 -2.146 1.438 1.00 0.00 C ATOM 697 O CYS A 46 -7.079 -2.125 2.660 1.00 0.00 O ATOM 698 CB CYS A 46 -8.711 -2.121 -0.298 1.00 0.00 C ATOM 699 SG CYS A 46 -10.041 -2.904 0.665 1.00 0.00 S ATOM 0 H CYS A 46 -6.805 -0.904 -1.332 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.310 -0.565 1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.162 -1.496 -1.069 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -8.147 -2.901 -0.810 1.00 0.00 H new ATOM 704 N ALA A 47 -5.983 -2.900 0.842 1.00 0.00 N ATOM 705 CA ALA A 47 -5.036 -3.712 1.613 1.00 0.00 C ATOM 706 C ALA A 47 -4.288 -2.823 2.589 1.00 0.00 C ATOM 707 O ALA A 47 -4.138 -3.137 3.772 1.00 0.00 O ATOM 708 CB ALA A 47 -4.038 -4.385 0.695 1.00 0.00 C ATOM 0 H ALA A 47 -5.870 -2.967 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.594 -4.478 2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.345 -4.982 1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.567 -5.031 -0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.483 -3.627 0.142 1.00 0.00 H new ATOM 714 N TYR A 48 -3.852 -1.696 2.055 1.00 0.00 N ATOM 715 CA TYR A 48 -3.084 -0.715 2.795 1.00 0.00 C ATOM 716 C TYR A 48 -3.945 -0.060 3.870 1.00 0.00 C ATOM 717 O TYR A 48 -3.498 0.123 4.991 1.00 0.00 O ATOM 718 CB TYR A 48 -2.552 0.349 1.837 1.00 0.00 C ATOM 719 CG TYR A 48 -1.124 0.766 2.102 1.00 0.00 C ATOM 720 CD1 TYR A 48 -0.791 1.537 3.206 1.00 0.00 C ATOM 721 CD2 TYR A 48 -0.110 0.388 1.233 1.00 0.00 C ATOM 722 CE1 TYR A 48 0.518 1.918 3.440 1.00 0.00 C ATOM 723 CE2 TYR A 48 1.199 0.763 1.456 1.00 0.00 C ATOM 724 CZ TYR A 48 1.511 1.532 2.565 1.00 0.00 C ATOM 725 OH TYR A 48 2.816 1.910 2.806 1.00 0.00 O ATOM 0 H TYR A 48 -4.024 -1.435 1.084 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.248 -1.218 3.280 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.625 -0.028 0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.192 1.229 1.898 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.565 1.844 3.893 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.350 -0.210 0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.761 2.516 4.306 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.976 0.459 0.770 1.00 0.00 H new ATOM 0 HH TYR A 48 2.910 2.182 3.743 1.00 0.00 H new ATOM 735 N ARG A 49 -5.182 0.287 3.508 1.00 0.00 N ATOM 736 CA ARG A 49 -6.153 0.839 4.457 1.00 0.00 C ATOM 737 C ARG A 49 -6.265 -0.039 5.692 1.00 0.00 C ATOM 738 O ARG A 49 -6.283 0.452 6.820 1.00 0.00 O ATOM 739 CB ARG A 49 -7.539 0.957 3.804 1.00 0.00 C ATOM 740 CG ARG A 49 -8.684 1.061 4.804 1.00 0.00 C ATOM 741 CD ARG A 49 -10.028 0.755 4.161 1.00 0.00 C ATOM 742 NE ARG A 49 -10.629 1.925 3.519 1.00 0.00 N ATOM 743 CZ ARG A 49 -10.853 2.030 2.209 1.00 0.00 C ATOM 744 NH1 ARG A 49 -10.451 1.074 1.383 1.00 0.00 N ATOM 745 NH2 ARG A 49 -11.488 3.093 1.728 1.00 0.00 N ATOM 0 H ARG A 49 -5.538 0.195 2.556 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.800 1.828 4.750 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.552 1.835 3.158 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.704 0.089 3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.510 0.369 5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.705 2.065 5.229 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.900 -0.034 3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.710 0.372 4.920 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.894 2.711 4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.968 0.254 1.749 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.625 1.159 0.382 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.804 3.828 2.361 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.660 3.174 0.726 1.00 0.00 H new ATOM 759 N LYS A 50 -6.319 -1.341 5.475 1.00 0.00 N ATOM 760 CA LYS A 50 -6.580 -2.262 6.552 1.00 0.00 C ATOM 761 C LYS A 50 -5.285 -2.555 7.296 1.00 0.00 C ATOM 762 O LYS A 50 -5.298 -2.817 8.496 1.00 0.00 O ATOM 763 CB LYS A 50 -7.268 -3.511 6.001 1.00 0.00 C ATOM 764 CG LYS A 50 -8.133 -4.217 7.033 1.00 0.00 C ATOM 765 CD LYS A 50 -9.264 -4.980 6.370 1.00 0.00 C ATOM 766 CE LYS A 50 -10.199 -5.603 7.390 1.00 0.00 C ATOM 767 NZ LYS A 50 -11.267 -6.396 6.735 1.00 0.00 N ATOM 0 H LYS A 50 -6.185 -1.778 4.563 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.264 -1.826 7.280 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.885 -3.232 5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.511 -4.204 5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.520 -4.904 7.617 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.543 -3.486 7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.827 -4.306 5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.850 -5.761 5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.630 -6.244 8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.648 -4.819 8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.888 -6.808 7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.825 -5.778 6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.838 -7.159 6.173 1.00 0.00 H new ATOM 781 N MET A 51 -4.167 -2.467 6.577 1.00 0.00 N ATOM 782 CA MET A 51 -2.840 -2.428 7.198 1.00 0.00 C ATOM 783 C MET A 51 -2.710 -1.194 8.091 1.00 0.00 C ATOM 784 O MET A 51 -2.248 -1.276 9.226 1.00 0.00 O ATOM 785 CB MET A 51 -1.749 -2.410 6.118 1.00 0.00 C ATOM 786 CG MET A 51 -0.378 -1.956 6.616 1.00 0.00 C ATOM 787 SD MET A 51 0.257 -2.959 7.975 1.00 0.00 S ATOM 788 CE MET A 51 1.839 -2.164 8.267 1.00 0.00 C ATOM 0 H MET A 51 -4.152 -2.421 5.558 1.00 0.00 H new ATOM 0 HA MET A 51 -2.716 -3.321 7.810 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.656 -3.411 5.696 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.065 -1.751 5.310 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.330 -1.988 5.788 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.443 -0.917 6.940 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.356 -2.671 9.082 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.446 -2.218 7.363 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.678 -1.119 8.533 1.00 0.00 H new ATOM 798 N CYS A 52 -3.128 -0.056 7.561 1.00 0.00 N ATOM 799 CA CYS A 52 -3.090 1.206 8.287 1.00 0.00 C ATOM 800 C CYS A 52 -3.977 1.136 9.525 1.00 0.00 C ATOM 801 O CYS A 52 -3.634 1.672 10.578 1.00 0.00 O ATOM 802 CB CYS A 52 -3.541 2.343 7.366 1.00 0.00 C ATOM 803 SG CYS A 52 -3.568 3.987 8.146 1.00 0.00 S ATOM 0 H CYS A 52 -3.503 0.020 6.616 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.068 1.398 8.613 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.878 2.377 6.501 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.540 2.116 6.993 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.961 4.872 7.279 1.00 0.00 H new ATOM 808 N ALA A 53 -5.117 0.465 9.392 1.00 0.00 N ATOM 809 CA ALA A 53 -6.014 0.243 10.517 1.00 0.00 C ATOM 810 C ALA A 53 -5.350 -0.632 11.571 1.00 0.00 C ATOM 811 O ALA A 53 -5.481 -0.384 12.769 1.00 0.00 O ATOM 812 CB ALA A 53 -7.308 -0.397 10.041 1.00 0.00 C ATOM 0 H ALA A 53 -5.441 0.065 8.512 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.244 1.208 10.968 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.969 -0.557 10.892 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.796 0.260 9.321 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.088 -1.354 9.567 1.00 0.00 H new ATOM 818 N THR A 54 -4.639 -1.654 11.112 1.00 0.00 N ATOM 819 CA THR A 54 -3.903 -2.543 11.997 1.00 0.00 C ATOM 820 C THR A 54 -3.032 -3.508 11.188 1.00 0.00 C ATOM 821 O THR A 54 -1.840 -3.642 11.465 1.00 0.00 O ATOM 822 CB THR A 54 -4.849 -3.323 12.955 1.00 0.00 C ATOM 823 OG1 THR A 54 -4.104 -4.244 13.763 1.00 0.00 O ATOM 824 CG2 THR A 54 -5.936 -4.073 12.193 1.00 0.00 C ATOM 0 H THR A 54 -4.557 -1.888 10.123 1.00 0.00 H new ATOM 0 HA THR A 54 -3.254 -1.924 12.617 1.00 0.00 H new ATOM 0 HB THR A 54 -5.332 -2.586 13.597 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.835 -5.013 13.219 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.575 -4.604 12.899 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.536 -3.364 11.623 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.475 -4.788 11.511 1.00 0.00 H new ATOM 832 N ASN A 55 -3.634 -4.127 10.164 1.00 0.00 N ATOM 833 CA ASN A 55 -3.006 -5.143 9.337 1.00 0.00 C ATOM 834 C ASN A 55 -4.121 -5.911 8.669 1.00 0.00 C ATOM 835 O ASN A 55 -5.286 -5.782 9.060 1.00 0.00 O ATOM 836 CB ASN A 55 -2.125 -6.109 10.147 1.00 0.00 C ATOM 837 CG ASN A 55 -2.919 -6.973 11.114 1.00 0.00 C ATOM 838 OD1 ASN A 55 -3.196 -6.565 12.244 1.00 0.00 O ATOM 839 ND2 ASN A 55 -3.261 -8.182 10.688 1.00 0.00 N ATOM 0 H ASN A 55 -4.595 -3.924 9.888 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.346 -4.660 8.616 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.576 -6.753 9.460 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.385 -5.535 10.705 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.773 -8.814 11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.012 -8.480 9.745 1.00 0.00 H new ATOM 846 N ASN A 56 -3.787 -6.704 7.676 1.00 0.00 N ATOM 847 CA ASN A 56 -4.790 -7.401 6.916 1.00 0.00 C ATOM 848 C ASN A 56 -4.122 -8.377 5.974 1.00 0.00 C ATOM 849 O ASN A 56 -3.763 -9.494 6.338 1.00 0.00 O ATOM 850 CB ASN A 56 -5.629 -6.389 6.121 1.00 0.00 C ATOM 851 CG ASN A 56 -6.841 -7.010 5.461 1.00 0.00 C ATOM 852 OD1 ASN A 56 -7.404 -7.985 5.952 1.00 0.00 O ATOM 853 ND2 ASN A 56 -7.261 -6.432 4.344 1.00 0.00 N ATOM 0 H ASN A 56 -2.827 -6.880 7.379 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.445 -7.951 7.592 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.955 -5.592 6.789 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.003 -5.928 5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.081 -6.796 3.859 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.764 -5.624 3.970 1.00 0.00 H new ATOM 860 N LEU A 57 -3.969 -7.927 4.758 1.00 0.00 N ATOM 861 CA LEU A 57 -3.336 -8.693 3.712 1.00 0.00 C ATOM 862 C LEU A 57 -1.917 -8.252 3.457 1.00 0.00 C ATOM 863 O LEU A 57 -1.217 -8.819 2.616 1.00 0.00 O ATOM 864 CB LEU A 57 -4.168 -8.612 2.484 1.00 0.00 C ATOM 865 CG LEU A 57 -5.291 -9.670 2.412 1.00 0.00 C ATOM 866 CD1 LEU A 57 -4.817 -11.002 2.973 1.00 0.00 C ATOM 867 CD2 LEU A 57 -6.531 -9.223 3.158 1.00 0.00 C ATOM 0 H LEU A 57 -4.284 -7.004 4.459 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.268 -9.733 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.614 -7.619 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.522 -8.723 1.613 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.546 -9.791 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.625 -11.731 2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.963 -11.357 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.522 -10.874 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.298 -9.994 3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.284 -9.056 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.904 -8.297 2.721 1.00 0.00 H new ATOM 879 N GLU A 58 -1.502 -7.227 4.168 1.00 0.00 N ATOM 880 CA GLU A 58 -0.109 -6.795 4.144 1.00 0.00 C ATOM 881 C GLU A 58 0.826 -7.976 4.452 1.00 0.00 C ATOM 882 O GLU A 58 2.022 -7.912 4.207 1.00 0.00 O ATOM 883 CB GLU A 58 0.118 -5.618 5.105 1.00 0.00 C ATOM 884 CG GLU A 58 -0.745 -5.645 6.358 1.00 0.00 C ATOM 885 CD GLU A 58 -0.515 -6.876 7.205 1.00 0.00 C ATOM 886 OE1 GLU A 58 0.519 -6.945 7.897 1.00 0.00 O ATOM 887 OE2 GLU A 58 -1.367 -7.780 7.169 1.00 0.00 O ATOM 0 H GLU A 58 -2.106 -6.671 4.774 1.00 0.00 H new ATOM 0 HA GLU A 58 0.128 -6.440 3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.167 -5.607 5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.072 -4.688 4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.539 -4.756 6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.795 -5.599 6.071 1.00 0.00 H new ATOM 894 N GLN A 59 0.241 -9.040 4.990 1.00 0.00 N ATOM 895 CA GLN A 59 0.859 -10.355 5.086 1.00 0.00 C ATOM 896 C GLN A 59 1.727 -10.682 3.863 1.00 0.00 C ATOM 897 O GLN A 59 2.933 -10.875 3.988 1.00 0.00 O ATOM 898 CB GLN A 59 -0.263 -11.384 5.208 1.00 0.00 C ATOM 899 CG GLN A 59 0.193 -12.835 5.222 1.00 0.00 C ATOM 900 CD GLN A 59 -0.977 -13.802 5.194 1.00 0.00 C ATOM 901 OE1 GLN A 59 -0.903 -14.909 5.730 1.00 0.00 O ATOM 902 NE2 GLN A 59 -2.064 -13.395 4.555 1.00 0.00 N ATOM 0 H GLN A 59 -0.700 -9.010 5.381 1.00 0.00 H new ATOM 0 HA GLN A 59 1.517 -10.373 5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.820 -11.185 6.124 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.955 -11.245 4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.837 -13.021 4.362 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.792 -13.018 6.114 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.086 -12.471 4.124 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.879 -14.006 4.494 1.00 0.00 H new ATOM 911 N ALA A 60 1.104 -10.726 2.682 1.00 0.00 N ATOM 912 CA ALA A 60 1.785 -11.164 1.462 1.00 0.00 C ATOM 913 C ALA A 60 2.887 -10.206 1.048 1.00 0.00 C ATOM 914 O ALA A 60 4.038 -10.607 0.909 1.00 0.00 O ATOM 915 CB ALA A 60 0.796 -11.321 0.332 1.00 0.00 C ATOM 0 H ALA A 60 0.128 -10.463 2.546 1.00 0.00 H new ATOM 0 HA ALA A 60 2.245 -12.128 1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.319 -11.647 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.046 -12.064 0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.307 -10.366 0.141 1.00 0.00 H new ATOM 921 N MET A 61 2.521 -8.957 0.788 1.00 0.00 N ATOM 922 CA MET A 61 3.508 -7.902 0.561 1.00 0.00 C ATOM 923 C MET A 61 4.652 -7.956 1.593 1.00 0.00 C ATOM 924 O MET A 61 5.810 -7.841 1.217 1.00 0.00 O ATOM 925 CB MET A 61 2.827 -6.523 0.558 1.00 0.00 C ATOM 926 CG MET A 61 1.984 -6.242 1.787 1.00 0.00 C ATOM 927 SD MET A 61 1.490 -4.511 1.950 1.00 0.00 S ATOM 928 CE MET A 61 0.203 -4.384 0.712 1.00 0.00 C ATOM 0 H MET A 61 1.551 -8.648 0.729 1.00 0.00 H new ATOM 0 HA MET A 61 3.955 -8.069 -0.419 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.593 -5.752 0.473 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.196 -6.444 -0.327 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.090 -6.864 1.753 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.543 -6.536 2.675 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.181 -3.364 0.689 1.00 0.00 H new ATOM 0 HE2 MET A 61 0.612 -4.640 -0.265 1.00 0.00 H new ATOM 0 HE3 MET A 61 -0.607 -5.071 0.957 1.00 0.00 H new ATOM 938 N SER A 62 4.335 -8.168 2.877 1.00 0.00 N ATOM 939 CA SER A 62 5.364 -8.247 3.929 1.00 0.00 C ATOM 940 C SER A 62 6.235 -9.491 3.763 1.00 0.00 C ATOM 941 O SER A 62 7.373 -9.523 4.227 1.00 0.00 O ATOM 942 CB SER A 62 4.723 -8.243 5.321 1.00 0.00 C ATOM 943 OG SER A 62 5.706 -8.249 6.343 1.00 0.00 O ATOM 0 H SER A 62 3.380 -8.288 3.214 1.00 0.00 H new ATOM 0 HA SER A 62 5.999 -7.366 3.829 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.089 -7.363 5.429 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.078 -9.115 5.429 1.00 0.00 H new ATOM 0 HG SER A 62 5.267 -8.245 7.219 1.00 0.00 H new ATOM 949 N VAL A 63 5.686 -10.527 3.142 1.00 0.00 N ATOM 950 CA VAL A 63 6.478 -11.700 2.784 1.00 0.00 C ATOM 951 C VAL A 63 7.464 -11.347 1.671 1.00 0.00 C ATOM 952 O VAL A 63 8.638 -11.727 1.713 1.00 0.00 O ATOM 953 CB VAL A 63 5.584 -12.872 2.317 1.00 0.00 C ATOM 954 CG1 VAL A 63 6.425 -14.029 1.801 1.00 0.00 C ATOM 955 CG2 VAL A 63 4.681 -13.343 3.442 1.00 0.00 C ATOM 0 H VAL A 63 4.703 -10.581 2.877 1.00 0.00 H new ATOM 0 HA VAL A 63 7.019 -12.014 3.677 1.00 0.00 H new ATOM 0 HB VAL A 63 4.961 -12.508 1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.771 -14.839 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.028 -13.693 0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.080 -14.386 2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.061 -14.168 3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.290 -13.679 4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.042 -12.521 3.764 1.00 0.00 H new ATOM 965 N TYR A 64 6.970 -10.607 0.686 1.00 0.00 N ATOM 966 CA TYR A 64 7.769 -10.197 -0.460 1.00 0.00 C ATOM 967 C TYR A 64 8.813 -9.152 -0.074 1.00 0.00 C ATOM 968 O TYR A 64 10.012 -9.420 -0.127 1.00 0.00 O ATOM 969 CB TYR A 64 6.861 -9.662 -1.566 1.00 0.00 C ATOM 970 CG TYR A 64 6.401 -10.720 -2.542 1.00 0.00 C ATOM 971 CD1 TYR A 64 5.794 -11.889 -2.101 1.00 0.00 C ATOM 972 CD2 TYR A 64 6.579 -10.545 -3.907 1.00 0.00 C ATOM 973 CE1 TYR A 64 5.375 -12.855 -2.995 1.00 0.00 C ATOM 974 CE2 TYR A 64 6.162 -11.506 -4.808 1.00 0.00 C ATOM 975 CZ TYR A 64 5.560 -12.659 -4.346 1.00 0.00 C ATOM 976 OH TYR A 64 5.136 -13.616 -5.240 1.00 0.00 O ATOM 0 H TYR A 64 6.006 -10.275 0.660 1.00 0.00 H new ATOM 0 HA TYR A 64 8.303 -11.073 -0.828 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.987 -9.195 -1.112 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.391 -8.882 -2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.647 -12.045 -1.042 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.051 -9.644 -4.271 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.905 -13.759 -2.637 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.306 -11.356 -5.868 1.00 0.00 H new ATOM 0 HH TYR A 64 5.340 -13.324 -6.153 1.00 0.00 H new ATOM 986 N PHE A 65 8.359 -7.969 0.326 1.00 0.00 N ATOM 987 CA PHE A 65 9.273 -6.898 0.699 1.00 0.00 C ATOM 988 C PHE A 65 9.756 -7.099 2.127 1.00 0.00 C ATOM 989 O PHE A 65 9.173 -7.868 2.889 1.00 0.00 O ATOM 990 CB PHE A 65 8.614 -5.505 0.527 1.00 0.00 C ATOM 991 CG PHE A 65 7.385 -5.245 1.361 1.00 0.00 C ATOM 992 CD1 PHE A 65 7.395 -5.403 2.738 1.00 0.00 C ATOM 993 CD2 PHE A 65 6.217 -4.826 0.756 1.00 0.00 C ATOM 994 CE1 PHE A 65 6.266 -5.153 3.490 1.00 0.00 C ATOM 995 CE2 PHE A 65 5.083 -4.570 1.505 1.00 0.00 C ATOM 996 CZ PHE A 65 5.109 -4.735 2.873 1.00 0.00 C ATOM 0 H PHE A 65 7.370 -7.729 0.400 1.00 0.00 H new ATOM 0 HA PHE A 65 10.133 -6.934 0.030 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.356 -4.743 0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.349 -5.378 -0.523 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.300 -5.727 3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.188 -4.696 -0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.290 -5.285 4.562 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.177 -4.241 1.018 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.224 -4.537 3.459 1.00 0.00 H new ATOM 1006 N THR A 66 10.826 -6.423 2.481 1.00 0.00 N ATOM 1007 CA THR A 66 11.300 -6.447 3.844 1.00 0.00 C ATOM 1008 C THR A 66 10.760 -5.245 4.612 1.00 0.00 C ATOM 1009 O THR A 66 10.232 -4.310 4.005 1.00 0.00 O ATOM 1010 CB THR A 66 12.834 -6.456 3.896 1.00 0.00 C ATOM 1011 OG1 THR A 66 13.351 -5.467 2.995 1.00 0.00 O ATOM 1012 CG2 THR A 66 13.381 -7.830 3.531 1.00 0.00 C ATOM 0 H THR A 66 11.382 -5.852 1.845 1.00 0.00 H new ATOM 0 HA THR A 66 10.937 -7.363 4.310 1.00 0.00 H new ATOM 0 HB THR A 66 13.150 -6.223 4.913 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.330 -5.472 3.030 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.470 -7.811 3.575 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.002 -8.571 4.235 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.063 -8.092 2.522 1.00 0.00 H new ATOM 1020 N ASN A 67 10.880 -5.258 5.929 1.00 0.00 N ATOM 1021 CA ASN A 67 10.366 -4.165 6.751 1.00 0.00 C ATOM 1022 C ASN A 67 11.065 -2.846 6.405 1.00 0.00 C ATOM 1023 O ASN A 67 10.441 -1.783 6.390 1.00 0.00 O ATOM 1024 CB ASN A 67 10.529 -4.501 8.233 1.00 0.00 C ATOM 1025 CG ASN A 67 9.928 -3.451 9.154 1.00 0.00 C ATOM 1026 OD1 ASN A 67 8.916 -2.825 8.836 1.00 0.00 O ATOM 1027 ND2 ASN A 67 10.555 -3.245 10.300 1.00 0.00 N ATOM 0 H ASN A 67 11.327 -6.009 6.455 1.00 0.00 H new ATOM 0 HA ASN A 67 9.304 -4.041 6.540 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.059 -5.464 8.435 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.590 -4.610 8.460 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.203 -2.548 10.956 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.391 -3.784 10.528 1.00 0.00 H new ATOM 1034 N GLU A 68 12.357 -2.923 6.099 1.00 0.00 N ATOM 1035 CA GLU A 68 13.108 -1.754 5.640 1.00 0.00 C ATOM 1036 C GLU A 68 12.569 -1.279 4.288 1.00 0.00 C ATOM 1037 O GLU A 68 12.369 -0.080 4.056 1.00 0.00 O ATOM 1038 CB GLU A 68 14.599 -2.099 5.535 1.00 0.00 C ATOM 1039 CG GLU A 68 14.888 -3.269 4.608 1.00 0.00 C ATOM 1040 CD GLU A 68 16.273 -3.843 4.789 1.00 0.00 C ATOM 1041 OE1 GLU A 68 16.451 -4.691 5.684 1.00 0.00 O ATOM 1042 OE2 GLU A 68 17.187 -3.459 4.031 1.00 0.00 O ATOM 0 H GLU A 68 12.907 -3.780 6.160 1.00 0.00 H new ATOM 0 HA GLU A 68 12.987 -0.946 6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.142 -1.223 5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.981 -2.331 6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.151 -4.053 4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.769 -2.944 3.575 1.00 0.00 H new ATOM 1049 N GLN A 69 12.308 -2.246 3.413 1.00 0.00 N ATOM 1050 CA GLN A 69 11.769 -1.981 2.089 1.00 0.00 C ATOM 1051 C GLN A 69 10.441 -1.249 2.194 1.00 0.00 C ATOM 1052 O GLN A 69 10.201 -0.284 1.478 1.00 0.00 O ATOM 1053 CB GLN A 69 11.571 -3.303 1.340 1.00 0.00 C ATOM 1054 CG GLN A 69 12.172 -3.323 -0.055 1.00 0.00 C ATOM 1055 CD GLN A 69 11.343 -2.556 -1.065 1.00 0.00 C ATOM 1056 OE1 GLN A 69 11.876 -1.960 -1.996 1.00 0.00 O ATOM 1057 NE2 GLN A 69 10.026 -2.603 -0.925 1.00 0.00 N ATOM 0 H GLN A 69 12.466 -3.235 3.605 1.00 0.00 H new ATOM 0 HA GLN A 69 12.473 -1.354 1.542 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.013 -4.109 1.926 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.503 -3.510 1.267 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.175 -2.899 -0.019 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.274 -4.356 -0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.614 -3.107 -0.140 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.424 -2.135 -1.603 1.00 0.00 H new ATOM 1066 N ILE A 70 9.584 -1.706 3.096 1.00 0.00 N ATOM 1067 CA ILE A 70 8.270 -1.107 3.252 1.00 0.00 C ATOM 1068 C ILE A 70 8.324 0.167 4.098 1.00 0.00 C ATOM 1069 O ILE A 70 7.396 0.960 4.079 1.00 0.00 O ATOM 1070 CB ILE A 70 7.241 -2.116 3.808 1.00 0.00 C ATOM 1071 CG1 ILE A 70 5.837 -1.511 3.845 1.00 0.00 C ATOM 1072 CG2 ILE A 70 7.629 -2.613 5.188 1.00 0.00 C ATOM 1073 CD1 ILE A 70 5.389 -0.972 2.509 1.00 0.00 C ATOM 0 H ILE A 70 9.775 -2.485 3.726 1.00 0.00 H new ATOM 0 HA ILE A 70 7.932 -0.819 2.257 1.00 0.00 H new ATOM 0 HB ILE A 70 7.237 -2.969 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.130 -2.270 4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.814 -0.707 4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.880 -3.320 5.544 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.599 -3.107 5.137 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.687 -1.769 5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.386 -0.557 2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.076 -0.191 2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.381 -1.778 1.775 1.00 0.00 H new ATOM 1085 N LYS A 71 9.415 0.373 4.824 1.00 0.00 N ATOM 1086 CA LYS A 71 9.682 1.684 5.409 1.00 0.00 C ATOM 1087 C LYS A 71 9.738 2.702 4.274 1.00 0.00 C ATOM 1088 O LYS A 71 9.055 3.745 4.296 1.00 0.00 O ATOM 1089 CB LYS A 71 11.007 1.668 6.180 1.00 0.00 C ATOM 1090 CG LYS A 71 11.477 3.042 6.628 1.00 0.00 C ATOM 1091 CD LYS A 71 12.876 2.986 7.223 1.00 0.00 C ATOM 1092 CE LYS A 71 12.881 2.370 8.616 1.00 0.00 C ATOM 1093 NZ LYS A 71 12.097 3.187 9.582 1.00 0.00 N ATOM 0 H LYS A 71 10.120 -0.337 5.021 1.00 0.00 H new ATOM 0 HA LYS A 71 8.894 1.949 6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.898 1.029 7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.776 1.219 5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.469 3.725 5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.782 3.443 7.366 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.525 2.405 6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.290 3.993 7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.466 1.363 8.570 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.908 2.276 8.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.387 2.950 10.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.272 4.197 9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.083 2.986 9.464 1.00 0.00 H new ATOM 1107 N GLU A 72 10.523 2.343 3.258 1.00 0.00 N ATOM 1108 CA GLU A 72 10.625 3.126 2.037 1.00 0.00 C ATOM 1109 C GLU A 72 9.252 3.341 1.412 1.00 0.00 C ATOM 1110 O GLU A 72 8.814 4.476 1.251 1.00 0.00 O ATOM 1111 CB GLU A 72 11.556 2.436 1.036 1.00 0.00 C ATOM 1112 CG GLU A 72 12.990 2.314 1.523 1.00 0.00 C ATOM 1113 CD GLU A 72 13.892 1.606 0.532 1.00 0.00 C ATOM 1114 OE1 GLU A 72 13.510 1.478 -0.650 1.00 0.00 O ATOM 1115 OE2 GLU A 72 14.991 1.167 0.939 1.00 0.00 O ATOM 0 H GLU A 72 11.102 1.503 3.263 1.00 0.00 H new ATOM 0 HA GLU A 72 11.042 4.100 2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.169 1.440 0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.545 2.993 0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.387 3.310 1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.002 1.772 2.469 1.00 0.00 H new ATOM 1122 N ILE A 73 8.563 2.249 1.081 1.00 0.00 N ATOM 1123 CA ILE A 73 7.247 2.345 0.437 1.00 0.00 C ATOM 1124 C ILE A 73 6.193 2.907 1.370 1.00 0.00 C ATOM 1125 O ILE A 73 5.095 3.201 0.936 1.00 0.00 O ATOM 1126 CB ILE A 73 6.684 1.012 -0.104 1.00 0.00 C ATOM 1127 CG1 ILE A 73 7.721 -0.094 -0.082 1.00 0.00 C ATOM 1128 CG2 ILE A 73 6.163 1.213 -1.516 1.00 0.00 C ATOM 1129 CD1 ILE A 73 7.185 -1.446 -0.488 1.00 0.00 C ATOM 0 H ILE A 73 8.887 1.296 1.245 1.00 0.00 H new ATOM 0 HA ILE A 73 7.442 3.011 -0.404 1.00 0.00 H new ATOM 0 HB ILE A 73 5.868 0.704 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.540 0.176 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.139 -0.167 0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.767 0.271 -1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.372 1.963 -1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.976 1.550 -2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.987 -2.183 -0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.386 -1.740 0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.794 -1.392 -1.504 1.00 0.00 H new ATOM 1141 N HIS A 74 6.490 3.034 2.646 1.00 0.00 N ATOM 1142 CA HIS A 74 5.523 3.619 3.553 1.00 0.00 C ATOM 1143 C HIS A 74 5.497 5.121 3.340 1.00 0.00 C ATOM 1144 O HIS A 74 4.453 5.691 2.999 1.00 0.00 O ATOM 1145 CB HIS A 74 5.826 3.276 5.010 1.00 0.00 C ATOM 1146 CG HIS A 74 4.663 3.514 5.924 1.00 0.00 C ATOM 1147 ND1 HIS A 74 3.395 3.037 5.664 1.00 0.00 N ATOM 1148 CD2 HIS A 74 4.575 4.195 7.089 1.00 0.00 C ATOM 1149 CE1 HIS A 74 2.579 3.416 6.631 1.00 0.00 C ATOM 1150 NE2 HIS A 74 3.268 4.122 7.510 1.00 0.00 N ATOM 0 H HIS A 74 7.371 2.748 3.072 1.00 0.00 H new ATOM 0 HA HIS A 74 4.540 3.200 3.336 1.00 0.00 H new ATOM 0 HB2 HIS A 74 6.124 2.230 5.076 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.674 3.871 5.348 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.383 4.703 7.595 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.525 3.187 6.693 1.00 0.00 H new ATOM 0 HE2 HIS A 74 2.893 4.543 8.360 1.00 0.00 H new ATOM 1159 N ASP A 75 6.658 5.760 3.475 1.00 0.00 N ATOM 1160 CA ASP A 75 6.735 7.184 3.218 1.00 0.00 C ATOM 1161 C ASP A 75 6.448 7.436 1.750 1.00 0.00 C ATOM 1162 O ASP A 75 5.887 8.462 1.367 1.00 0.00 O ATOM 1163 CB ASP A 75 8.107 7.723 3.584 1.00 0.00 C ATOM 1164 CG ASP A 75 8.095 9.230 3.678 1.00 0.00 C ATOM 1165 OD1 ASP A 75 7.464 9.754 4.617 1.00 0.00 O ATOM 1166 OD2 ASP A 75 8.714 9.900 2.834 1.00 0.00 O ATOM 0 H ASP A 75 7.535 5.321 3.754 1.00 0.00 H new ATOM 0 HA ASP A 75 5.997 7.700 3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.425 7.299 4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.835 7.409 2.837 1.00 0.00 H new ATOM 1171 N ALA A 76 6.813 6.454 0.944 1.00 0.00 N ATOM 1172 CA ALA A 76 6.576 6.486 -0.481 1.00 0.00 C ATOM 1173 C ALA A 76 5.100 6.425 -0.812 1.00 0.00 C ATOM 1174 O ALA A 76 4.583 7.288 -1.488 1.00 0.00 O ATOM 1175 CB ALA A 76 7.286 5.336 -1.143 1.00 0.00 C ATOM 0 H ALA A 76 7.285 5.609 1.266 1.00 0.00 H new ATOM 0 HA ALA A 76 6.964 7.433 -0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.103 5.366 -2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.357 5.413 -0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.913 4.396 -0.737 1.00 0.00 H new ATOM 1181 N ALA A 77 4.414 5.409 -0.335 1.00 0.00 N ATOM 1182 CA ALA A 77 3.012 5.244 -0.665 1.00 0.00 C ATOM 1183 C ALA A 77 2.185 6.407 -0.118 1.00 0.00 C ATOM 1184 O ALA A 77 1.063 6.630 -0.554 1.00 0.00 O ATOM 1185 CB ALA A 77 2.499 3.900 -0.172 1.00 0.00 C ATOM 0 H ALA A 77 4.798 4.690 0.277 1.00 0.00 H new ATOM 0 HA ALA A 77 2.906 5.255 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.445 3.796 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.068 3.098 -0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.615 3.841 0.910 1.00 0.00 H new ATOM 1191 N THR A 78 2.750 7.166 0.822 1.00 0.00 N ATOM 1192 CA THR A 78 2.074 8.357 1.320 1.00 0.00 C ATOM 1193 C THR A 78 2.482 9.626 0.551 1.00 0.00 C ATOM 1194 O THR A 78 1.659 10.234 -0.132 1.00 0.00 O ATOM 1195 CB THR A 78 2.345 8.549 2.818 1.00 0.00 C ATOM 1196 OG1 THR A 78 1.985 7.353 3.522 1.00 0.00 O ATOM 1197 CG2 THR A 78 1.556 9.732 3.366 1.00 0.00 C ATOM 0 H THR A 78 3.659 6.979 1.246 1.00 0.00 H new ATOM 0 HA THR A 78 1.007 8.201 1.161 1.00 0.00 H new ATOM 0 HB THR A 78 3.406 8.754 2.959 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.708 6.696 3.441 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.765 9.847 4.430 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.848 10.640 2.838 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.490 9.556 3.223 1.00 0.00 H new ATOM 1205 N ALA A 79 3.750 10.019 0.663 1.00 0.00 N ATOM 1206 CA ALA A 79 4.223 11.281 0.086 1.00 0.00 C ATOM 1207 C ALA A 79 4.858 11.086 -1.286 1.00 0.00 C ATOM 1208 O ALA A 79 5.235 12.051 -1.952 1.00 0.00 O ATOM 1209 CB ALA A 79 5.215 11.943 1.026 1.00 0.00 C ATOM 0 H ALA A 79 4.470 9.483 1.148 1.00 0.00 H new ATOM 0 HA ALA A 79 3.353 11.925 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.561 12.880 0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.731 12.145 1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.066 11.280 1.183 1.00 0.00 H new ATOM 1215 N CYS A 80 4.957 9.828 -1.687 1.00 0.00 N ATOM 1216 CA CYS A 80 5.609 9.418 -2.931 1.00 0.00 C ATOM 1217 C CYS A 80 7.117 9.597 -2.838 1.00 0.00 C ATOM 1218 O CYS A 80 7.780 10.006 -3.790 1.00 0.00 O ATOM 1219 CB CYS A 80 5.018 10.134 -4.149 1.00 0.00 C ATOM 1220 SG CYS A 80 4.388 8.979 -5.405 1.00 0.00 S ATOM 0 H CYS A 80 4.581 9.046 -1.151 1.00 0.00 H new ATOM 0 HA CYS A 80 5.413 8.355 -3.074 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.209 10.788 -3.824 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.781 10.770 -4.597 1.00 0.00 H new ATOM 1225 N ASP A 81 7.643 9.249 -1.670 1.00 0.00 N ATOM 1226 CA ASP A 81 9.067 9.342 -1.383 1.00 0.00 C ATOM 1227 C ASP A 81 9.574 8.049 -0.759 1.00 0.00 C ATOM 1228 O ASP A 81 9.536 7.908 0.461 1.00 0.00 O ATOM 1229 CB ASP A 81 9.325 10.477 -0.390 1.00 0.00 C ATOM 1230 CG ASP A 81 9.140 11.857 -0.993 1.00 0.00 C ATOM 1231 OD1 ASP A 81 9.932 12.227 -1.888 1.00 0.00 O ATOM 1232 OD2 ASP A 81 8.221 12.590 -0.565 1.00 0.00 O ATOM 0 H ASP A 81 7.089 8.892 -0.891 1.00 0.00 H new ATOM 0 HA ASP A 81 9.587 9.529 -2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.652 10.367 0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.341 10.390 -0.005 1.00 0.00 H new