USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 541 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 66 CYS SG : rot 180:sc= -0.3 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 37 THR OG1 : rot 73:sc= 1.16 USER MOD Set 2.2: A 40 GLN : amide:sc= -1.48! C(o=-0.055!,f=-3.6!) USER MOD Set 2.3: A 57 ASN : amide:sc= 0.269 K(o=-0.055,f=-3) USER MOD Single : A 13 MET CE :methyl -152:sc= -0.19 (180deg=-1.16) USER MOD Single : A 15 CYS SG : rot 42:sc= 0.125 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0.0471 X(o=0.047,f=-0.16) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -81:sc= 1.32 USER MOD Single : A 32 LYS NZ :NH3+ -154:sc= 0.048 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.55! C(o=-1.6!,f=-5.5!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0416) USER MOD Single : A 42 ASN : amide:sc= 0.487 X(o=0.49,f=0) USER MOD Single : A 50 HIS : no HD1:sc=-0.00698 X(o=-0.007,f=-0.015) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -22:sc= 0.286 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.621 K(o=0.62,f=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -3.5 K(o=-3.5,f=-4.5!) USER MOD Single : A 73 TYR OH : rot 150:sc= 1.06 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 82:sc= 1.13 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 194 N MET A 13 9.589 -0.793 -22.460 1.00 0.00 N ATOM 195 CA MET A 13 9.234 -0.748 -23.892 1.00 0.00 C ATOM 196 C MET A 13 10.369 -1.332 -24.760 1.00 0.00 C ATOM 197 O MET A 13 11.551 -1.221 -24.409 1.00 0.00 O ATOM 198 CB MET A 13 8.882 0.716 -24.342 1.00 0.00 C ATOM 199 CG MET A 13 10.090 1.577 -24.763 1.00 0.00 C ATOM 200 SD MET A 13 11.385 1.653 -23.495 1.00 0.00 S ATOM 201 CE MET A 13 12.859 1.840 -24.505 1.00 0.00 C ATOM 0 HA MET A 13 8.347 -1.365 -24.035 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.183 0.665 -25.177 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.365 1.217 -23.523 1.00 0.00 H new ATOM 0 HG2 MET A 13 10.513 1.173 -25.683 1.00 0.00 H new ATOM 0 HG3 MET A 13 9.748 2.588 -24.986 1.00 0.00 H new ATOM 0 HE1 MET A 13 13.716 1.418 -23.980 1.00 0.00 H new ATOM 0 HE2 MET A 13 12.720 1.318 -25.452 1.00 0.00 H new ATOM 0 HE3 MET A 13 13.037 2.898 -24.697 1.00 0.00 H new ATOM 211 N GLY A 14 9.993 -1.967 -25.871 1.00 0.00 N ATOM 212 CA GLY A 14 10.963 -2.497 -26.819 1.00 0.00 C ATOM 213 C GLY A 14 11.627 -3.782 -26.364 1.00 0.00 C ATOM 214 O GLY A 14 12.831 -3.969 -26.558 1.00 0.00 O ATOM 0 H GLY A 14 9.020 -2.125 -26.133 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.465 -2.674 -27.772 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.732 -1.745 -26.996 1.00 0.00 H new ATOM 218 N CYS A 15 10.856 -4.665 -25.744 1.00 0.00 N ATOM 219 CA CYS A 15 11.307 -6.031 -25.462 1.00 0.00 C ATOM 220 C CYS A 15 10.883 -6.917 -26.651 1.00 0.00 C ATOM 221 O CYS A 15 9.688 -7.173 -26.842 1.00 0.00 O ATOM 222 CB CYS A 15 10.706 -6.522 -24.130 1.00 0.00 C ATOM 223 SG CYS A 15 8.907 -6.417 -24.049 1.00 0.00 S ATOM 0 H CYS A 15 9.909 -4.463 -25.423 1.00 0.00 H new ATOM 0 HA CYS A 15 12.391 -6.074 -25.351 1.00 0.00 H new ATOM 0 HB2 CYS A 15 11.006 -7.557 -23.968 1.00 0.00 H new ATOM 0 HB3 CYS A 15 11.130 -5.936 -23.315 1.00 0.00 H new ATOM 0 HG CYS A 15 8.398 -6.814 -25.177 1.00 0.00 H new ATOM 229 N TRP A 16 11.860 -7.339 -27.483 1.00 0.00 N ATOM 230 CA TRP A 16 11.597 -8.056 -28.755 1.00 0.00 C ATOM 231 C TRP A 16 12.128 -9.496 -28.685 1.00 0.00 C ATOM 232 O TRP A 16 12.901 -9.837 -27.788 1.00 0.00 O ATOM 233 CB TRP A 16 12.283 -7.334 -29.955 1.00 0.00 C ATOM 234 CG TRP A 16 12.184 -5.824 -29.931 1.00 0.00 C ATOM 235 CD1 TRP A 16 11.100 -5.048 -30.247 1.00 0.00 C ATOM 236 CD2 TRP A 16 13.228 -4.909 -29.559 1.00 0.00 C ATOM 237 NE1 TRP A 16 11.412 -3.721 -30.107 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.710 -3.614 -29.680 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.547 -5.066 -29.125 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.469 -2.480 -29.395 1.00 0.00 C ATOM 241 CZ3 TRP A 16 15.296 -3.940 -28.842 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.752 -2.661 -28.975 1.00 0.00 C ATOM 0 H TRP A 16 12.852 -7.194 -27.294 1.00 0.00 H new ATOM 0 HA TRP A 16 10.517 -8.066 -28.905 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.336 -7.614 -29.975 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.839 -7.698 -30.881 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.139 -5.427 -30.561 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.781 -2.941 -30.291 1.00 0.00 H new ATOM 0 HE3 TRP A 16 14.974 -6.052 -29.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 13.053 -1.489 -29.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.319 -4.051 -28.513 1.00 0.00 H new ATOM 0 HH2 TRP A 16 15.360 -1.799 -28.741 1.00 0.00 H new ATOM 253 N SER A 17 11.717 -10.321 -29.658 1.00 0.00 N ATOM 254 CA SER A 17 12.335 -11.631 -29.920 1.00 0.00 C ATOM 255 C SER A 17 13.677 -11.422 -30.648 1.00 0.00 C ATOM 256 O SER A 17 13.875 -10.368 -31.271 1.00 0.00 O ATOM 257 CB SER A 17 11.390 -12.484 -30.796 1.00 0.00 C ATOM 258 OG SER A 17 10.123 -12.627 -30.182 1.00 0.00 O ATOM 0 H SER A 17 10.945 -10.100 -30.287 1.00 0.00 H new ATOM 0 HA SER A 17 12.511 -12.149 -28.977 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.274 -12.017 -31.774 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.831 -13.467 -30.963 1.00 0.00 H new ATOM 0 HG SER A 17 9.541 -13.169 -30.755 1.00 0.00 H new ATOM 264 N ILE A 18 14.575 -12.426 -30.585 1.00 0.00 N ATOM 265 CA ILE A 18 15.863 -12.407 -31.321 1.00 0.00 C ATOM 266 C ILE A 18 15.613 -12.182 -32.826 1.00 0.00 C ATOM 267 O ILE A 18 16.282 -11.368 -33.460 1.00 0.00 O ATOM 268 CB ILE A 18 16.678 -13.753 -31.122 1.00 0.00 C ATOM 269 CG1 ILE A 18 17.007 -14.012 -29.609 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.963 -13.784 -32.000 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.811 -12.930 -28.924 1.00 0.00 C ATOM 0 H ILE A 18 14.433 -13.269 -30.028 1.00 0.00 H new ATOM 0 HA ILE A 18 16.455 -11.587 -30.915 1.00 0.00 H new ATOM 0 HB ILE A 18 16.038 -14.568 -31.459 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.070 -14.141 -29.068 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.553 -14.952 -29.530 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.494 -14.722 -31.835 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.687 -13.703 -33.051 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.609 -12.949 -31.729 1.00 0.00 H new ATOM 0 HD11 ILE A 18 17.983 -13.208 -27.884 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.769 -12.812 -29.431 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.262 -11.989 -28.962 1.00 0.00 H new ATOM 283 N GLU A 19 14.606 -12.901 -33.354 1.00 0.00 N ATOM 284 CA GLU A 19 14.222 -12.845 -34.771 1.00 0.00 C ATOM 285 C GLU A 19 13.642 -11.479 -35.166 1.00 0.00 C ATOM 286 O GLU A 19 13.931 -10.987 -36.253 1.00 0.00 O ATOM 287 CB GLU A 19 13.250 -13.989 -35.110 1.00 0.00 C ATOM 288 CG GLU A 19 13.920 -15.370 -35.110 1.00 0.00 C ATOM 289 CD GLU A 19 12.925 -16.526 -35.283 1.00 0.00 C ATOM 290 OE1 GLU A 19 12.568 -16.858 -36.439 1.00 0.00 O ATOM 291 OE2 GLU A 19 12.470 -17.091 -34.263 1.00 0.00 O ATOM 0 H GLU A 19 14.034 -13.541 -32.803 1.00 0.00 H new ATOM 0 HA GLU A 19 15.129 -12.976 -35.361 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.433 -13.989 -34.389 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.810 -13.805 -36.090 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.656 -15.409 -35.913 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.462 -15.503 -34.174 1.00 0.00 H new ATOM 298 N HIS A 20 12.842 -10.853 -34.284 1.00 0.00 N ATOM 299 CA HIS A 20 12.301 -9.505 -34.560 1.00 0.00 C ATOM 300 C HIS A 20 13.458 -8.486 -34.657 1.00 0.00 C ATOM 301 O HIS A 20 13.500 -7.663 -35.581 1.00 0.00 O ATOM 302 CB HIS A 20 11.269 -9.072 -33.490 1.00 0.00 C ATOM 303 CG HIS A 20 10.622 -7.739 -33.788 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.478 -7.605 -34.549 1.00 0.00 N ATOM 305 CD2 HIS A 20 10.985 -6.476 -33.452 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.179 -6.330 -34.673 1.00 0.00 C ATOM 307 NE2 HIS A 20 10.075 -5.626 -34.016 1.00 0.00 N ATOM 0 H HIS A 20 12.558 -11.249 -33.388 1.00 0.00 H new ATOM 0 HA HIS A 20 11.776 -9.537 -35.515 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.494 -9.835 -33.413 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.762 -9.020 -32.520 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.836 -6.194 -32.850 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.340 -5.929 -35.222 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.089 -4.609 -33.940 1.00 0.00 H new ATOM 316 N VAL A 21 14.404 -8.587 -33.706 1.00 0.00 N ATOM 317 CA VAL A 21 15.619 -7.759 -33.679 1.00 0.00 C ATOM 318 C VAL A 21 16.377 -7.889 -35.012 1.00 0.00 C ATOM 319 O VAL A 21 16.471 -6.924 -35.756 1.00 0.00 O ATOM 320 CB VAL A 21 16.546 -8.160 -32.464 1.00 0.00 C ATOM 321 CG1 VAL A 21 17.955 -7.518 -32.553 1.00 0.00 C ATOM 322 CG2 VAL A 21 15.864 -7.790 -31.131 1.00 0.00 C ATOM 0 H VAL A 21 14.345 -9.249 -32.932 1.00 0.00 H new ATOM 0 HA VAL A 21 15.327 -6.717 -33.545 1.00 0.00 H new ATOM 0 HB VAL A 21 16.689 -9.240 -32.509 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.550 -7.827 -31.694 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.446 -7.843 -33.470 1.00 0.00 H new ATOM 0 HG13 VAL A 21 17.860 -6.432 -32.558 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.512 -8.071 -30.301 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.681 -6.716 -31.102 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.916 -8.322 -31.047 1.00 0.00 H new ATOM 332 N GLU A 22 16.807 -9.120 -35.336 1.00 0.00 N ATOM 333 CA GLU A 22 17.727 -9.388 -36.455 1.00 0.00 C ATOM 334 C GLU A 22 17.128 -9.011 -37.819 1.00 0.00 C ATOM 335 O GLU A 22 17.786 -8.332 -38.619 1.00 0.00 O ATOM 336 CB GLU A 22 18.189 -10.872 -36.443 1.00 0.00 C ATOM 337 CG GLU A 22 17.082 -11.923 -36.630 1.00 0.00 C ATOM 338 CD GLU A 22 17.585 -13.366 -36.594 1.00 0.00 C ATOM 339 OE1 GLU A 22 17.965 -13.841 -35.501 1.00 0.00 O ATOM 340 OE2 GLU A 22 17.617 -14.034 -37.655 1.00 0.00 O ATOM 0 H GLU A 22 16.526 -9.959 -34.829 1.00 0.00 H new ATOM 0 HA GLU A 22 18.597 -8.748 -36.309 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.929 -11.008 -37.232 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.692 -11.068 -35.496 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.333 -11.790 -35.849 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.584 -11.746 -37.583 1.00 0.00 H new ATOM 347 N GLN A 23 15.873 -9.420 -38.053 1.00 0.00 N ATOM 348 CA GLN A 23 15.206 -9.252 -39.352 1.00 0.00 C ATOM 349 C GLN A 23 14.855 -7.777 -39.599 1.00 0.00 C ATOM 350 O GLN A 23 15.052 -7.267 -40.707 1.00 0.00 O ATOM 351 CB GLN A 23 13.930 -10.132 -39.415 1.00 0.00 C ATOM 352 CG GLN A 23 14.191 -11.651 -39.264 1.00 0.00 C ATOM 353 CD GLN A 23 15.108 -12.260 -40.334 1.00 0.00 C ATOM 354 OE1 GLN A 23 15.119 -11.831 -41.489 1.00 0.00 O ATOM 355 NE2 GLN A 23 15.884 -13.276 -39.962 1.00 0.00 N ATOM 0 H GLN A 23 15.293 -9.876 -37.349 1.00 0.00 H new ATOM 0 HA GLN A 23 15.892 -9.572 -40.136 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.245 -9.814 -38.629 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.428 -9.955 -40.366 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.631 -11.833 -38.283 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.234 -12.173 -39.287 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.857 -13.613 -39.000 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.506 -13.717 -40.639 1.00 0.00 H new ATOM 364 N TYR A 24 14.362 -7.091 -38.549 1.00 0.00 N ATOM 365 CA TYR A 24 13.861 -5.709 -38.673 1.00 0.00 C ATOM 366 C TYR A 24 14.981 -4.676 -38.421 1.00 0.00 C ATOM 367 O TYR A 24 14.757 -3.488 -38.643 1.00 0.00 O ATOM 368 CB TYR A 24 12.658 -5.471 -37.716 1.00 0.00 C ATOM 369 CG TYR A 24 11.399 -6.314 -38.016 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.396 -7.700 -37.844 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.212 -5.725 -38.456 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.270 -8.458 -38.092 1.00 0.00 C ATOM 373 CE2 TYR A 24 9.082 -6.477 -38.700 1.00 0.00 C ATOM 374 CZ TYR A 24 9.114 -7.840 -38.520 1.00 0.00 C ATOM 375 OH TYR A 24 7.980 -8.587 -38.759 1.00 0.00 O ATOM 0 H TYR A 24 14.300 -7.472 -37.605 1.00 0.00 H new ATOM 0 HA TYR A 24 13.515 -5.573 -39.697 1.00 0.00 H new ATOM 0 HB2 TYR A 24 12.980 -5.679 -36.696 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.387 -4.416 -37.756 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.298 -8.191 -37.508 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.178 -4.656 -38.609 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.294 -9.529 -37.952 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.174 -5.996 -39.032 1.00 0.00 H new ATOM 0 HH TYR A 24 7.255 -7.997 -39.053 1.00 0.00 H new ATOM 385 N LEU A 25 16.172 -5.126 -37.955 1.00 0.00 N ATOM 386 CA LEU A 25 17.340 -4.232 -37.724 1.00 0.00 C ATOM 387 C LEU A 25 17.736 -3.474 -39.007 1.00 0.00 C ATOM 388 O LEU A 25 17.955 -4.081 -40.061 1.00 0.00 O ATOM 389 CB LEU A 25 18.563 -5.020 -37.136 1.00 0.00 C ATOM 390 CG LEU A 25 18.839 -4.792 -35.615 1.00 0.00 C ATOM 391 CD1 LEU A 25 19.958 -5.705 -35.100 1.00 0.00 C ATOM 392 CD2 LEU A 25 19.160 -3.308 -35.322 1.00 0.00 C ATOM 0 H LEU A 25 16.352 -6.105 -37.731 1.00 0.00 H new ATOM 0 HA LEU A 25 17.035 -3.493 -36.983 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.401 -6.085 -37.303 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.456 -4.742 -37.696 1.00 0.00 H new ATOM 0 HG LEU A 25 17.927 -5.054 -35.078 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.121 -5.517 -34.039 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.673 -6.747 -35.245 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.877 -5.500 -35.650 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.348 -3.180 -34.256 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.045 -3.009 -35.885 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.314 -2.687 -35.619 1.00 0.00 H new ATOM 404 N GLY A 26 17.794 -2.135 -38.894 1.00 0.00 N ATOM 405 CA GLY A 26 18.193 -1.263 -39.994 1.00 0.00 C ATOM 406 C GLY A 26 17.009 -0.580 -40.682 1.00 0.00 C ATOM 407 O GLY A 26 17.215 0.247 -41.581 1.00 0.00 O ATOM 0 H GLY A 26 17.564 -1.635 -38.035 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.874 -0.501 -39.616 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.745 -1.847 -40.730 1.00 0.00 H new ATOM 411 N THR A 27 15.772 -0.915 -40.263 1.00 0.00 N ATOM 412 CA THR A 27 14.541 -0.350 -40.862 1.00 0.00 C ATOM 413 C THR A 27 13.982 0.784 -39.974 1.00 0.00 C ATOM 414 O THR A 27 14.639 1.211 -39.023 1.00 0.00 O ATOM 415 CB THR A 27 13.444 -1.459 -41.069 1.00 0.00 C ATOM 416 OG1 THR A 27 12.903 -1.873 -39.804 1.00 0.00 O ATOM 417 CG2 THR A 27 13.999 -2.696 -41.802 1.00 0.00 C ATOM 0 H THR A 27 15.596 -1.578 -39.508 1.00 0.00 H new ATOM 0 HA THR A 27 14.803 0.056 -41.839 1.00 0.00 H new ATOM 0 HB THR A 27 12.662 -1.016 -41.685 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.506 -2.523 -39.387 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.206 -3.434 -41.922 1.00 0.00 H new ATOM 0 HG22 THR A 27 14.372 -2.401 -42.783 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.813 -3.129 -41.220 1.00 0.00 H new ATOM 425 N ASP A 28 12.792 1.299 -40.324 1.00 0.00 N ATOM 426 CA ASP A 28 12.044 2.242 -39.470 1.00 0.00 C ATOM 427 C ASP A 28 11.307 1.482 -38.360 1.00 0.00 C ATOM 428 O ASP A 28 11.032 2.049 -37.296 1.00 0.00 O ATOM 429 CB ASP A 28 11.035 3.061 -40.308 1.00 0.00 C ATOM 430 CG ASP A 28 11.722 3.998 -41.313 1.00 0.00 C ATOM 431 OD1 ASP A 28 12.055 3.553 -42.434 1.00 0.00 O ATOM 432 OD2 ASP A 28 11.956 5.185 -40.979 1.00 0.00 O ATOM 0 H ASP A 28 12.322 1.076 -41.201 1.00 0.00 H new ATOM 0 HA ASP A 28 12.757 2.931 -39.018 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.377 2.378 -40.845 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.407 3.650 -39.639 1.00 0.00 H new ATOM 437 N GLU A 29 10.986 0.196 -38.627 1.00 0.00 N ATOM 438 CA GLU A 29 10.345 -0.697 -37.645 1.00 0.00 C ATOM 439 C GLU A 29 11.280 -0.902 -36.446 1.00 0.00 C ATOM 440 O GLU A 29 10.902 -0.663 -35.294 1.00 0.00 O ATOM 441 CB GLU A 29 10.002 -2.067 -38.282 1.00 0.00 C ATOM 442 CG GLU A 29 9.085 -2.002 -39.515 1.00 0.00 C ATOM 443 CD GLU A 29 7.740 -1.308 -39.236 1.00 0.00 C ATOM 444 OE1 GLU A 29 6.895 -1.897 -38.522 1.00 0.00 O ATOM 445 OE2 GLU A 29 7.509 -0.184 -39.742 1.00 0.00 O ATOM 0 H GLU A 29 11.165 -0.248 -39.528 1.00 0.00 H new ATOM 0 HA GLU A 29 9.417 -0.232 -37.311 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.931 -2.561 -38.565 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.526 -2.692 -37.527 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.601 -1.472 -40.315 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.897 -3.014 -39.873 1.00 0.00 H new ATOM 452 N LEU A 30 12.529 -1.317 -36.740 1.00 0.00 N ATOM 453 CA LEU A 30 13.570 -1.503 -35.722 1.00 0.00 C ATOM 454 C LEU A 30 14.887 -0.901 -36.252 1.00 0.00 C ATOM 455 O LEU A 30 15.659 -1.584 -36.924 1.00 0.00 O ATOM 456 CB LEU A 30 13.703 -3.023 -35.354 1.00 0.00 C ATOM 457 CG LEU A 30 14.264 -3.376 -33.940 1.00 0.00 C ATOM 458 CD1 LEU A 30 15.788 -3.165 -33.814 1.00 0.00 C ATOM 459 CD2 LEU A 30 13.510 -2.578 -32.868 1.00 0.00 C ATOM 0 H LEU A 30 12.839 -1.531 -37.688 1.00 0.00 H new ATOM 0 HA LEU A 30 13.306 -0.985 -34.800 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.718 -3.479 -35.448 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.345 -3.494 -36.098 1.00 0.00 H new ATOM 0 HG LEU A 30 14.099 -4.443 -33.789 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.110 -3.429 -32.807 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.304 -3.797 -34.537 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.028 -2.120 -34.009 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.905 -2.828 -31.883 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.639 -1.511 -33.051 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.450 -2.827 -32.907 1.00 0.00 H new ATOM 471 N PRO A 31 15.133 0.421 -36.022 1.00 0.00 N ATOM 472 CA PRO A 31 16.425 1.044 -36.361 1.00 0.00 C ATOM 473 C PRO A 31 17.536 0.586 -35.401 1.00 0.00 C ATOM 474 O PRO A 31 17.254 0.143 -34.273 1.00 0.00 O ATOM 475 CB PRO A 31 16.141 2.563 -36.245 1.00 0.00 C ATOM 476 CG PRO A 31 15.013 2.665 -35.258 1.00 0.00 C ATOM 477 CD PRO A 31 14.179 1.409 -35.441 1.00 0.00 C ATOM 0 HA PRO A 31 16.785 0.767 -37.352 1.00 0.00 H new ATOM 0 HB2 PRO A 31 17.021 3.105 -35.898 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.863 2.989 -37.209 1.00 0.00 H new ATOM 0 HG2 PRO A 31 15.392 2.736 -34.239 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.416 3.559 -35.439 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.771 1.059 -34.492 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.333 1.585 -36.106 1.00 0.00 H new ATOM 485 N LYS A 32 18.793 0.696 -35.865 1.00 0.00 N ATOM 486 CA LYS A 32 19.980 0.324 -35.083 1.00 0.00 C ATOM 487 C LYS A 32 20.000 1.069 -33.744 1.00 0.00 C ATOM 488 O LYS A 32 20.181 0.459 -32.695 1.00 0.00 O ATOM 489 CB LYS A 32 21.276 0.642 -35.869 1.00 0.00 C ATOM 490 CG LYS A 32 21.430 -0.084 -37.214 1.00 0.00 C ATOM 491 CD LYS A 32 22.833 0.170 -37.819 1.00 0.00 C ATOM 492 CE LYS A 32 22.892 -0.043 -39.332 1.00 0.00 C ATOM 493 NZ LYS A 32 24.243 0.252 -39.883 1.00 0.00 N ATOM 0 H LYS A 32 19.013 1.047 -36.797 1.00 0.00 H new ATOM 0 HA LYS A 32 19.932 -0.749 -34.895 1.00 0.00 H new ATOM 0 HB2 LYS A 32 21.316 1.716 -36.049 1.00 0.00 H new ATOM 0 HB3 LYS A 32 22.131 0.392 -35.241 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.278 -1.154 -37.074 1.00 0.00 H new ATOM 0 HG3 LYS A 32 20.662 0.259 -37.908 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.139 1.191 -37.592 1.00 0.00 H new ATOM 0 HD3 LYS A 32 23.553 -0.493 -37.338 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.623 -1.073 -39.564 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.155 0.596 -39.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.158 0.528 -40.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.675 1.030 -39.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 24.841 -0.595 -39.808 1.00 0.00 H new ATOM 507 N ASN A 33 19.757 2.392 -33.820 1.00 0.00 N ATOM 508 CA ASN A 33 19.830 3.315 -32.672 1.00 0.00 C ATOM 509 C ASN A 33 18.881 2.892 -31.532 1.00 0.00 C ATOM 510 O ASN A 33 19.232 3.011 -30.365 1.00 0.00 O ATOM 511 CB ASN A 33 19.484 4.750 -33.130 1.00 0.00 C ATOM 512 CG ASN A 33 19.765 5.821 -32.066 1.00 0.00 C ATOM 513 OD1 ASN A 33 20.843 6.405 -32.036 1.00 0.00 O ATOM 514 ND2 ASN A 33 18.811 6.080 -31.182 1.00 0.00 N ATOM 0 H ASN A 33 19.501 2.855 -34.692 1.00 0.00 H new ATOM 0 HA ASN A 33 20.849 3.282 -32.287 1.00 0.00 H new ATOM 0 HB2 ASN A 33 20.056 4.983 -34.028 1.00 0.00 H new ATOM 0 HB3 ASN A 33 18.430 4.790 -33.404 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.965 6.779 -30.455 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.923 5.580 -31.229 1.00 0.00 H new ATOM 521 N ASP A 34 17.685 2.396 -31.900 1.00 0.00 N ATOM 522 CA ASP A 34 16.630 1.998 -30.936 1.00 0.00 C ATOM 523 C ASP A 34 17.044 0.730 -30.151 1.00 0.00 C ATOM 524 O ASP A 34 16.769 0.613 -28.946 1.00 0.00 O ATOM 525 CB ASP A 34 15.300 1.773 -31.695 1.00 0.00 C ATOM 526 CG ASP A 34 14.092 1.500 -30.782 1.00 0.00 C ATOM 527 OD1 ASP A 34 13.686 2.417 -30.031 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.541 0.384 -30.810 1.00 0.00 O ATOM 0 H ASP A 34 17.418 2.258 -32.875 1.00 0.00 H new ATOM 0 HA ASP A 34 16.493 2.798 -30.209 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.089 2.652 -32.305 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.422 0.933 -32.378 1.00 0.00 H new ATOM 533 N LEU A 35 17.722 -0.195 -30.857 1.00 0.00 N ATOM 534 CA LEU A 35 18.330 -1.411 -30.261 1.00 0.00 C ATOM 535 C LEU A 35 19.415 -0.986 -29.239 1.00 0.00 C ATOM 536 O LEU A 35 19.405 -1.414 -28.081 1.00 0.00 O ATOM 537 CB LEU A 35 18.925 -2.292 -31.421 1.00 0.00 C ATOM 538 CG LEU A 35 19.409 -3.761 -31.113 1.00 0.00 C ATOM 539 CD1 LEU A 35 20.717 -3.826 -30.294 1.00 0.00 C ATOM 540 CD2 LEU A 35 18.298 -4.585 -30.446 1.00 0.00 C ATOM 0 H LEU A 35 17.867 -0.124 -31.864 1.00 0.00 H new ATOM 0 HA LEU A 35 17.587 -2.004 -29.728 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.169 -2.355 -32.204 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.773 -1.750 -31.840 1.00 0.00 H new ATOM 0 HG LEU A 35 19.640 -4.205 -32.081 1.00 0.00 H new ATOM 0 HD11 LEU A 35 20.987 -4.868 -30.121 1.00 0.00 H new ATOM 0 HD12 LEU A 35 21.516 -3.331 -30.845 1.00 0.00 H new ATOM 0 HD13 LEU A 35 20.572 -3.325 -29.337 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.662 -5.593 -30.246 1.00 0.00 H new ATOM 0 HD22 LEU A 35 18.007 -4.112 -29.508 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.435 -4.636 -31.110 1.00 0.00 H new ATOM 552 N ILE A 36 20.321 -0.114 -29.707 1.00 0.00 N ATOM 553 CA ILE A 36 21.453 0.438 -28.923 1.00 0.00 C ATOM 554 C ILE A 36 20.952 1.154 -27.650 1.00 0.00 C ATOM 555 O ILE A 36 21.506 0.962 -26.559 1.00 0.00 O ATOM 556 CB ILE A 36 22.278 1.435 -29.832 1.00 0.00 C ATOM 557 CG1 ILE A 36 22.853 0.671 -31.074 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.406 2.158 -29.045 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.308 1.547 -32.233 1.00 0.00 C ATOM 0 H ILE A 36 20.292 0.240 -30.663 1.00 0.00 H new ATOM 0 HA ILE A 36 22.096 -0.383 -28.606 1.00 0.00 H new ATOM 0 HB ILE A 36 21.597 2.213 -30.177 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.698 0.066 -30.746 1.00 0.00 H new ATOM 0 HG13 ILE A 36 22.091 -0.017 -31.440 1.00 0.00 H new ATOM 0 HG21 ILE A 36 23.943 2.831 -29.714 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.969 2.731 -28.227 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.099 1.420 -28.641 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.688 0.917 -33.038 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.465 2.134 -32.598 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.098 2.218 -31.894 1.00 0.00 H new ATOM 571 N THR A 37 19.866 1.932 -27.820 1.00 0.00 N ATOM 572 CA THR A 37 19.243 2.709 -26.743 1.00 0.00 C ATOM 573 C THR A 37 18.673 1.765 -25.674 1.00 0.00 C ATOM 574 O THR A 37 18.947 1.937 -24.487 1.00 0.00 O ATOM 575 CB THR A 37 18.134 3.668 -27.288 1.00 0.00 C ATOM 576 OG1 THR A 37 18.717 4.629 -28.189 1.00 0.00 O ATOM 577 CG2 THR A 37 17.395 4.416 -26.164 1.00 0.00 C ATOM 0 H THR A 37 19.396 2.037 -28.719 1.00 0.00 H new ATOM 0 HA THR A 37 20.013 3.333 -26.289 1.00 0.00 H new ATOM 0 HB THR A 37 17.405 3.047 -27.809 1.00 0.00 H new ATOM 0 HG1 THR A 37 18.958 4.185 -29.029 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.636 5.067 -26.598 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.918 3.695 -25.500 1.00 0.00 H new ATOM 0 HG23 THR A 37 18.107 5.016 -25.597 1.00 0.00 H new ATOM 585 N TYR A 38 17.935 0.734 -26.116 1.00 0.00 N ATOM 586 CA TYR A 38 17.334 -0.262 -25.213 1.00 0.00 C ATOM 587 C TYR A 38 18.419 -0.961 -24.367 1.00 0.00 C ATOM 588 O TYR A 38 18.229 -1.179 -23.169 1.00 0.00 O ATOM 589 CB TYR A 38 16.532 -1.304 -26.026 1.00 0.00 C ATOM 590 CG TYR A 38 15.865 -2.397 -25.176 1.00 0.00 C ATOM 591 CD1 TYR A 38 14.623 -2.188 -24.569 1.00 0.00 C ATOM 592 CD2 TYR A 38 16.472 -3.640 -24.992 1.00 0.00 C ATOM 593 CE1 TYR A 38 14.023 -3.178 -23.814 1.00 0.00 C ATOM 594 CE2 TYR A 38 15.875 -4.628 -24.244 1.00 0.00 C ATOM 595 CZ TYR A 38 14.650 -4.393 -23.657 1.00 0.00 C ATOM 596 OH TYR A 38 14.051 -5.376 -22.904 1.00 0.00 O ATOM 0 H TYR A 38 17.739 0.567 -27.103 1.00 0.00 H new ATOM 0 HA TYR A 38 16.655 0.255 -24.535 1.00 0.00 H new ATOM 0 HB2 TYR A 38 15.763 -0.786 -26.598 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.200 -1.778 -26.746 1.00 0.00 H new ATOM 0 HD1 TYR A 38 14.125 -1.238 -24.692 1.00 0.00 H new ATOM 0 HD2 TYR A 38 17.433 -3.831 -25.447 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.065 -2.999 -23.349 1.00 0.00 H new ATOM 0 HE2 TYR A 38 16.363 -5.583 -24.117 1.00 0.00 H new ATOM 0 HH TYR A 38 14.622 -6.173 -22.893 1.00 0.00 H new ATOM 606 N LEU A 39 19.554 -1.292 -25.006 1.00 0.00 N ATOM 607 CA LEU A 39 20.673 -1.994 -24.341 1.00 0.00 C ATOM 608 C LEU A 39 21.377 -1.103 -23.304 1.00 0.00 C ATOM 609 O LEU A 39 21.796 -1.594 -22.281 1.00 0.00 O ATOM 610 CB LEU A 39 21.693 -2.562 -25.378 1.00 0.00 C ATOM 611 CG LEU A 39 21.400 -4.015 -25.891 1.00 0.00 C ATOM 612 CD1 LEU A 39 19.983 -4.150 -26.480 1.00 0.00 C ATOM 613 CD2 LEU A 39 22.466 -4.476 -26.908 1.00 0.00 C ATOM 0 H LEU A 39 19.724 -1.084 -25.990 1.00 0.00 H new ATOM 0 HA LEU A 39 20.240 -2.838 -23.804 1.00 0.00 H new ATOM 0 HB2 LEU A 39 21.722 -1.892 -26.237 1.00 0.00 H new ATOM 0 HB3 LEU A 39 22.686 -2.548 -24.929 1.00 0.00 H new ATOM 0 HG LEU A 39 21.452 -4.672 -25.023 1.00 0.00 H new ATOM 0 HD11 LEU A 39 19.827 -5.173 -26.822 1.00 0.00 H new ATOM 0 HD12 LEU A 39 19.246 -3.907 -25.715 1.00 0.00 H new ATOM 0 HD13 LEU A 39 19.872 -3.466 -27.321 1.00 0.00 H new ATOM 0 HD21 LEU A 39 22.235 -5.487 -27.245 1.00 0.00 H new ATOM 0 HD22 LEU A 39 22.469 -3.800 -27.763 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.448 -4.467 -26.435 1.00 0.00 H new ATOM 625 N GLN A 40 21.523 0.204 -23.568 1.00 0.00 N ATOM 626 CA GLN A 40 22.130 1.136 -22.574 1.00 0.00 C ATOM 627 C GLN A 40 21.126 1.516 -21.464 1.00 0.00 C ATOM 628 O GLN A 40 21.527 2.010 -20.404 1.00 0.00 O ATOM 629 CB GLN A 40 22.759 2.376 -23.271 1.00 0.00 C ATOM 630 CG GLN A 40 21.803 3.178 -24.166 1.00 0.00 C ATOM 631 CD GLN A 40 22.478 3.954 -25.306 1.00 0.00 C ATOM 632 OE1 GLN A 40 21.997 5.010 -25.711 1.00 0.00 O ATOM 633 NE2 GLN A 40 23.554 3.407 -25.874 1.00 0.00 N ATOM 0 H GLN A 40 21.238 0.645 -24.442 1.00 0.00 H new ATOM 0 HA GLN A 40 22.947 0.612 -22.079 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.157 3.041 -22.504 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.604 2.044 -23.875 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.072 2.493 -24.596 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.252 3.883 -23.543 1.00 0.00 H new ATOM 0 HE21 GLN A 40 23.930 2.529 -25.515 1.00 0.00 H new ATOM 0 HE22 GLN A 40 24.001 3.866 -26.667 1.00 0.00 H new ATOM 642 N LYS A 41 19.818 1.296 -21.718 1.00 0.00 N ATOM 643 CA LYS A 41 18.768 1.462 -20.683 1.00 0.00 C ATOM 644 C LYS A 41 18.703 0.219 -19.757 1.00 0.00 C ATOM 645 O LYS A 41 18.578 0.360 -18.540 1.00 0.00 O ATOM 646 CB LYS A 41 17.379 1.732 -21.335 1.00 0.00 C ATOM 647 CG LYS A 41 17.305 3.061 -22.128 1.00 0.00 C ATOM 648 CD LYS A 41 15.972 3.243 -22.899 1.00 0.00 C ATOM 649 CE LYS A 41 14.787 3.603 -21.989 1.00 0.00 C ATOM 650 NZ LYS A 41 14.907 4.976 -21.435 1.00 0.00 N ATOM 0 H LYS A 41 19.462 1.004 -22.628 1.00 0.00 H new ATOM 0 HA LYS A 41 19.032 2.328 -20.076 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.136 0.907 -22.005 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.618 1.743 -20.554 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.434 3.895 -21.438 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.134 3.101 -22.835 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.097 4.026 -23.647 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.742 2.323 -23.436 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.858 3.520 -22.553 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.728 2.886 -21.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.028 5.228 -20.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.704 5.013 -20.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.073 5.650 -22.210 1.00 0.00 H new ATOM 664 N ASN A 42 18.805 -0.995 -20.338 1.00 0.00 N ATOM 665 CA ASN A 42 18.643 -2.274 -19.591 1.00 0.00 C ATOM 666 C ASN A 42 19.972 -2.804 -19.007 1.00 0.00 C ATOM 667 O ASN A 42 20.015 -3.225 -17.844 1.00 0.00 O ATOM 668 CB ASN A 42 17.981 -3.339 -20.521 1.00 0.00 C ATOM 669 CG ASN A 42 16.466 -3.157 -20.625 1.00 0.00 C ATOM 670 OD1 ASN A 42 15.702 -3.822 -19.925 1.00 0.00 O ATOM 671 ND2 ASN A 42 16.020 -2.228 -21.461 1.00 0.00 N ATOM 0 H ASN A 42 19.000 -1.123 -21.331 1.00 0.00 H new ATOM 0 HA ASN A 42 17.996 -2.076 -18.737 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.422 -3.274 -21.516 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.200 -4.337 -20.140 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.019 -2.048 -21.537 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.678 -1.693 -22.028 1.00 0.00 H new ATOM 678 N ALA A 43 21.035 -2.779 -19.817 1.00 0.00 N ATOM 679 CA ALA A 43 22.362 -3.321 -19.431 1.00 0.00 C ATOM 680 C ALA A 43 23.207 -2.282 -18.687 1.00 0.00 C ATOM 681 O ALA A 43 23.031 -1.072 -18.878 1.00 0.00 O ATOM 682 CB ALA A 43 23.123 -3.808 -20.672 1.00 0.00 C ATOM 0 H ALA A 43 21.011 -2.386 -20.758 1.00 0.00 H new ATOM 0 HA ALA A 43 22.185 -4.160 -18.758 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.094 -4.202 -20.372 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.550 -4.592 -21.166 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.267 -2.975 -21.361 1.00 0.00 H new ATOM 688 N ASP A 44 24.141 -2.784 -17.858 1.00 0.00 N ATOM 689 CA ASP A 44 25.135 -1.954 -17.153 1.00 0.00 C ATOM 690 C ASP A 44 26.202 -1.457 -18.133 1.00 0.00 C ATOM 691 O ASP A 44 26.425 -2.077 -19.180 1.00 0.00 O ATOM 692 CB ASP A 44 25.817 -2.751 -16.018 1.00 0.00 C ATOM 693 CG ASP A 44 24.826 -3.332 -14.999 1.00 0.00 C ATOM 694 OD1 ASP A 44 24.316 -2.577 -14.137 1.00 0.00 O ATOM 695 OD2 ASP A 44 24.556 -4.554 -15.043 1.00 0.00 O ATOM 0 H ASP A 44 24.228 -3.780 -17.658 1.00 0.00 H new ATOM 0 HA ASP A 44 24.611 -1.102 -16.720 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.397 -3.564 -16.453 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.520 -2.100 -15.499 1.00 0.00 H new ATOM 700 N ALA A 45 26.897 -0.379 -17.733 1.00 0.00 N ATOM 701 CA ALA A 45 27.884 0.339 -18.571 1.00 0.00 C ATOM 702 C ALA A 45 28.951 -0.600 -19.175 1.00 0.00 C ATOM 703 O ALA A 45 29.430 -0.364 -20.287 1.00 0.00 O ATOM 704 CB ALA A 45 28.545 1.452 -17.742 1.00 0.00 C ATOM 0 H ALA A 45 26.790 0.028 -16.804 1.00 0.00 H new ATOM 0 HA ALA A 45 27.348 0.775 -19.414 1.00 0.00 H new ATOM 0 HB1 ALA A 45 29.272 1.981 -18.358 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.783 2.151 -17.398 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.050 1.014 -16.881 1.00 0.00 H new ATOM 710 N ALA A 46 29.271 -1.674 -18.433 1.00 0.00 N ATOM 711 CA ALA A 46 30.270 -2.687 -18.828 1.00 0.00 C ATOM 712 C ALA A 46 29.912 -3.375 -20.167 1.00 0.00 C ATOM 713 O ALA A 46 30.781 -3.591 -21.026 1.00 0.00 O ATOM 714 CB ALA A 46 30.401 -3.735 -17.714 1.00 0.00 C ATOM 0 H ALA A 46 28.838 -1.867 -17.530 1.00 0.00 H new ATOM 0 HA ALA A 46 31.222 -2.177 -18.976 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.138 -4.484 -18.004 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.721 -3.248 -16.793 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.437 -4.218 -17.554 1.00 0.00 H new ATOM 720 N PHE A 47 28.617 -3.698 -20.326 1.00 0.00 N ATOM 721 CA PHE A 47 28.095 -4.406 -21.511 1.00 0.00 C ATOM 722 C PHE A 47 28.200 -3.516 -22.763 1.00 0.00 C ATOM 723 O PHE A 47 28.525 -3.993 -23.856 1.00 0.00 O ATOM 724 CB PHE A 47 26.628 -4.831 -21.257 1.00 0.00 C ATOM 725 CG PHE A 47 26.059 -5.801 -22.292 1.00 0.00 C ATOM 726 CD1 PHE A 47 26.305 -7.168 -22.185 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.284 -5.354 -23.368 1.00 0.00 C ATOM 728 CE1 PHE A 47 25.800 -8.054 -23.117 1.00 0.00 C ATOM 729 CE2 PHE A 47 24.780 -6.243 -24.301 1.00 0.00 C ATOM 730 CZ PHE A 47 25.041 -7.592 -24.172 1.00 0.00 C ATOM 0 H PHE A 47 27.900 -3.476 -19.636 1.00 0.00 H new ATOM 0 HA PHE A 47 28.694 -5.299 -21.686 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.562 -5.292 -20.271 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.004 -3.938 -21.233 1.00 0.00 H new ATOM 0 HD1 PHE A 47 26.898 -7.540 -21.363 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.076 -4.299 -23.472 1.00 0.00 H new ATOM 0 HE1 PHE A 47 26.000 -9.111 -23.019 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.185 -5.883 -25.127 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.650 -8.288 -24.899 1.00 0.00 H new ATOM 740 N LEU A 48 27.929 -2.213 -22.587 1.00 0.00 N ATOM 741 CA LEU A 48 28.024 -1.232 -23.680 1.00 0.00 C ATOM 742 C LEU A 48 29.495 -0.973 -24.042 1.00 0.00 C ATOM 743 O LEU A 48 29.819 -0.719 -25.195 1.00 0.00 O ATOM 744 CB LEU A 48 27.294 0.091 -23.316 1.00 0.00 C ATOM 745 CG LEU A 48 25.757 -0.006 -23.004 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.015 -0.945 -23.974 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.485 -0.396 -21.543 1.00 0.00 C ATOM 0 H LEU A 48 27.641 -1.813 -21.694 1.00 0.00 H new ATOM 0 HA LEU A 48 27.525 -1.649 -24.555 1.00 0.00 H new ATOM 0 HB2 LEU A 48 27.790 0.524 -22.447 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.429 0.791 -24.141 1.00 0.00 H new ATOM 0 HG LEU A 48 25.358 0.996 -23.157 1.00 0.00 H new ATOM 0 HD11 LEU A 48 23.957 -0.975 -23.713 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.127 -0.577 -24.994 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.435 -1.948 -23.902 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.409 -0.450 -21.375 1.00 0.00 H new ATOM 0 HD22 LEU A 48 25.934 -1.367 -21.336 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.918 0.353 -20.880 1.00 0.00 H new ATOM 759 N ARG A 49 30.385 -1.055 -23.049 1.00 0.00 N ATOM 760 CA ARG A 49 31.846 -0.954 -23.275 1.00 0.00 C ATOM 761 C ARG A 49 32.385 -2.209 -23.990 1.00 0.00 C ATOM 762 O ARG A 49 33.411 -2.147 -24.674 1.00 0.00 O ATOM 763 CB ARG A 49 32.583 -0.723 -21.932 1.00 0.00 C ATOM 764 CG ARG A 49 32.305 0.658 -21.298 1.00 0.00 C ATOM 765 CD ARG A 49 32.850 0.787 -19.865 1.00 0.00 C ATOM 766 NE ARG A 49 34.327 0.709 -19.809 1.00 0.00 N ATOM 767 CZ ARG A 49 35.049 0.473 -18.701 1.00 0.00 C ATOM 768 NH1 ARG A 49 34.460 0.149 -17.556 1.00 0.00 N ATOM 769 NH2 ARG A 49 36.368 0.540 -18.758 1.00 0.00 N ATOM 0 H ARG A 49 30.126 -1.192 -22.072 1.00 0.00 H new ATOM 0 HA ARG A 49 32.033 -0.098 -23.924 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.289 -1.501 -21.228 1.00 0.00 H new ATOM 0 HB3 ARG A 49 33.656 -0.829 -22.094 1.00 0.00 H new ATOM 0 HG2 ARG A 49 32.751 1.433 -21.921 1.00 0.00 H new ATOM 0 HG3 ARG A 49 31.230 0.837 -21.288 1.00 0.00 H new ATOM 0 HD2 ARG A 49 32.524 1.736 -19.440 1.00 0.00 H new ATOM 0 HD3 ARG A 49 32.424 -0.003 -19.246 1.00 0.00 H new ATOM 0 HE ARG A 49 34.837 0.845 -20.681 1.00 0.00 H new ATOM 0 HH11 ARG A 49 33.444 0.076 -17.508 1.00 0.00 H new ATOM 0 HH12 ARG A 49 35.024 -0.027 -16.724 1.00 0.00 H new ATOM 0 HH21 ARG A 49 36.829 0.769 -19.638 1.00 0.00 H new ATOM 0 HH22 ARG A 49 36.924 0.362 -17.922 1.00 0.00 H new ATOM 783 N HIS A 50 31.679 -3.344 -23.818 1.00 0.00 N ATOM 784 CA HIS A 50 32.007 -4.609 -24.501 1.00 0.00 C ATOM 785 C HIS A 50 31.657 -4.502 -26.000 1.00 0.00 C ATOM 786 O HIS A 50 32.506 -4.735 -26.867 1.00 0.00 O ATOM 787 CB HIS A 50 31.239 -5.792 -23.837 1.00 0.00 C ATOM 788 CG HIS A 50 31.695 -7.167 -24.265 1.00 0.00 C ATOM 789 ND1 HIS A 50 32.360 -8.023 -23.420 1.00 0.00 N ATOM 790 CD2 HIS A 50 31.581 -7.831 -25.444 1.00 0.00 C ATOM 791 CE1 HIS A 50 32.641 -9.142 -24.050 1.00 0.00 C ATOM 792 NE2 HIS A 50 32.178 -9.055 -25.282 1.00 0.00 N ATOM 0 H HIS A 50 30.868 -3.409 -23.203 1.00 0.00 H new ATOM 0 HA HIS A 50 33.076 -4.800 -24.408 1.00 0.00 H new ATOM 0 HB2 HIS A 50 31.343 -5.711 -22.755 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.178 -5.690 -24.064 1.00 0.00 H new ATOM 0 HD2 HIS A 50 31.108 -7.463 -26.343 1.00 0.00 H new ATOM 0 HE1 HIS A 50 33.163 -9.989 -23.630 1.00 0.00 H new ATOM 0 HE2 HIS A 50 32.252 -9.779 -25.997 1.00 0.00 H new ATOM 801 N TRP A 51 30.400 -4.128 -26.285 1.00 0.00 N ATOM 802 CA TRP A 51 29.842 -4.122 -27.657 1.00 0.00 C ATOM 803 C TRP A 51 29.962 -2.748 -28.339 1.00 0.00 C ATOM 804 O TRP A 51 29.342 -2.519 -29.380 1.00 0.00 O ATOM 805 CB TRP A 51 28.369 -4.610 -27.610 1.00 0.00 C ATOM 806 CG TRP A 51 28.249 -6.031 -27.114 1.00 0.00 C ATOM 807 CD1 TRP A 51 27.979 -6.447 -25.843 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.445 -7.225 -27.887 1.00 0.00 C ATOM 809 NE1 TRP A 51 27.981 -7.815 -25.782 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.267 -8.311 -27.026 1.00 0.00 C ATOM 811 CE3 TRP A 51 28.744 -7.471 -29.229 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.384 -9.624 -27.460 1.00 0.00 C ATOM 813 CZ3 TRP A 51 28.859 -8.773 -29.660 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.680 -9.836 -28.778 1.00 0.00 C ATOM 0 H TRP A 51 29.737 -3.820 -25.574 1.00 0.00 H new ATOM 0 HA TRP A 51 30.430 -4.806 -28.268 1.00 0.00 H new ATOM 0 HB2 TRP A 51 27.792 -3.952 -26.961 1.00 0.00 H new ATOM 0 HB3 TRP A 51 27.933 -4.538 -28.606 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.791 -5.792 -25.005 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.799 -8.373 -24.947 1.00 0.00 H new ATOM 0 HE3 TRP A 51 28.883 -6.651 -29.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 28.246 -10.451 -26.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.091 -8.973 -30.696 1.00 0.00 H new ATOM 0 HH2 TRP A 51 28.777 -10.848 -29.142 1.00 0.00 H new ATOM 825 N LYS A 52 30.767 -1.845 -27.734 1.00 0.00 N ATOM 826 CA LYS A 52 31.135 -0.524 -28.310 1.00 0.00 C ATOM 827 C LYS A 52 29.913 0.423 -28.418 1.00 0.00 C ATOM 828 O LYS A 52 29.919 1.387 -29.193 1.00 0.00 O ATOM 829 CB LYS A 52 31.843 -0.687 -29.693 1.00 0.00 C ATOM 830 CG LYS A 52 33.154 -1.523 -29.713 1.00 0.00 C ATOM 831 CD LYS A 52 34.413 -0.777 -29.178 1.00 0.00 C ATOM 832 CE LYS A 52 34.504 -0.701 -27.641 1.00 0.00 C ATOM 833 NZ LYS A 52 35.728 -0.003 -27.195 1.00 0.00 N ATOM 0 H LYS A 52 31.187 -2.012 -26.820 1.00 0.00 H new ATOM 0 HA LYS A 52 31.842 -0.061 -27.621 1.00 0.00 H new ATOM 0 HB2 LYS A 52 31.137 -1.146 -30.385 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.068 0.307 -30.079 1.00 0.00 H new ATOM 0 HG2 LYS A 52 33.003 -2.424 -29.118 1.00 0.00 H new ATOM 0 HG3 LYS A 52 33.347 -1.845 -30.736 1.00 0.00 H new ATOM 0 HD2 LYS A 52 35.305 -1.276 -29.558 1.00 0.00 H new ATOM 0 HD3 LYS A 52 34.418 0.236 -29.580 1.00 0.00 H new ATOM 0 HE2 LYS A 52 33.628 -0.183 -27.251 1.00 0.00 H new ATOM 0 HE3 LYS A 52 34.489 -1.709 -27.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 35.751 0.027 -26.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 36.565 -0.511 -27.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 35.730 0.967 -27.569 1.00 0.00 H new ATOM 847 N LEU A 53 28.887 0.150 -27.597 1.00 0.00 N ATOM 848 CA LEU A 53 27.659 0.965 -27.517 1.00 0.00 C ATOM 849 C LEU A 53 27.806 2.068 -26.434 1.00 0.00 C ATOM 850 O LEU A 53 26.831 2.747 -26.092 1.00 0.00 O ATOM 851 CB LEU A 53 26.454 0.043 -27.199 1.00 0.00 C ATOM 852 CG LEU A 53 26.367 -1.294 -28.003 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.187 -2.145 -27.528 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.303 -1.052 -29.525 1.00 0.00 C ATOM 0 H LEU A 53 28.884 -0.649 -26.963 1.00 0.00 H new ATOM 0 HA LEU A 53 27.490 1.458 -28.475 1.00 0.00 H new ATOM 0 HB2 LEU A 53 26.481 -0.199 -26.137 1.00 0.00 H new ATOM 0 HB3 LEU A 53 25.538 0.607 -27.374 1.00 0.00 H new ATOM 0 HG LEU A 53 27.285 -1.848 -27.807 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.150 -3.070 -28.104 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.311 -2.381 -26.471 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.259 -1.592 -27.670 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.243 -2.009 -30.043 1.00 0.00 H new ATOM 0 HD22 LEU A 53 25.422 -0.456 -29.762 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.198 -0.520 -29.847 1.00 0.00 H new ATOM 866 N THR A 54 29.035 2.207 -25.890 1.00 0.00 N ATOM 867 CA THR A 54 29.385 3.212 -24.871 1.00 0.00 C ATOM 868 C THR A 54 29.692 4.605 -25.484 1.00 0.00 C ATOM 869 O THR A 54 29.776 5.602 -24.746 1.00 0.00 O ATOM 870 CB THR A 54 30.613 2.716 -24.039 1.00 0.00 C ATOM 871 OG1 THR A 54 30.926 3.645 -22.992 1.00 0.00 O ATOM 872 CG2 THR A 54 31.861 2.492 -24.921 1.00 0.00 C ATOM 0 H THR A 54 29.822 1.613 -26.153 1.00 0.00 H new ATOM 0 HA THR A 54 28.516 3.331 -24.224 1.00 0.00 H new ATOM 0 HB THR A 54 30.331 1.758 -23.603 1.00 0.00 H new ATOM 0 HG1 THR A 54 30.561 4.526 -23.217 1.00 0.00 H new ATOM 0 HG21 THR A 54 32.688 2.148 -24.300 1.00 0.00 H new ATOM 0 HG22 THR A 54 31.640 1.741 -25.680 1.00 0.00 H new ATOM 0 HG23 THR A 54 32.136 3.428 -25.406 1.00 0.00 H new ATOM 880 N GLY A 55 29.860 4.668 -26.827 1.00 0.00 N ATOM 881 CA GLY A 55 30.165 5.934 -27.526 1.00 0.00 C ATOM 882 C GLY A 55 28.933 6.825 -27.704 1.00 0.00 C ATOM 883 O GLY A 55 27.930 6.650 -26.997 1.00 0.00 O ATOM 0 H GLY A 55 29.789 3.858 -27.443 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.924 6.479 -26.965 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.590 5.710 -28.504 1.00 0.00 H new ATOM 887 N THR A 56 29.002 7.797 -28.633 1.00 0.00 N ATOM 888 CA THR A 56 27.821 8.586 -29.036 1.00 0.00 C ATOM 889 C THR A 56 26.992 7.764 -30.041 1.00 0.00 C ATOM 890 O THR A 56 27.547 7.237 -31.016 1.00 0.00 O ATOM 891 CB THR A 56 28.201 9.990 -29.629 1.00 0.00 C ATOM 892 OG1 THR A 56 27.020 10.700 -30.040 1.00 0.00 O ATOM 893 CG2 THR A 56 29.175 9.899 -30.817 1.00 0.00 C ATOM 0 H THR A 56 29.861 8.055 -29.118 1.00 0.00 H new ATOM 0 HA THR A 56 27.228 8.791 -28.145 1.00 0.00 H new ATOM 0 HB THR A 56 28.707 10.530 -28.829 1.00 0.00 H new ATOM 0 HG1 THR A 56 27.274 11.573 -30.405 1.00 0.00 H new ATOM 0 HG21 THR A 56 29.399 10.902 -31.182 1.00 0.00 H new ATOM 0 HG22 THR A 56 30.098 9.416 -30.495 1.00 0.00 H new ATOM 0 HG23 THR A 56 28.720 9.315 -31.617 1.00 0.00 H new ATOM 901 N ASN A 57 25.670 7.653 -29.779 1.00 0.00 N ATOM 902 CA ASN A 57 24.737 6.768 -30.531 1.00 0.00 C ATOM 903 C ASN A 57 24.798 6.956 -32.056 1.00 0.00 C ATOM 904 O ASN A 57 24.496 6.018 -32.786 1.00 0.00 O ATOM 905 CB ASN A 57 23.275 6.933 -30.019 1.00 0.00 C ATOM 906 CG ASN A 57 22.974 6.152 -28.733 1.00 0.00 C ATOM 907 OD1 ASN A 57 23.849 5.931 -27.891 1.00 0.00 O ATOM 908 ND2 ASN A 57 21.725 5.719 -28.584 1.00 0.00 N ATOM 0 H ASN A 57 25.212 8.178 -29.034 1.00 0.00 H new ATOM 0 HA ASN A 57 25.074 5.750 -30.335 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.079 7.991 -29.844 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.588 6.606 -30.800 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.466 5.186 -27.754 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.027 5.920 -29.300 1.00 0.00 H new ATOM 915 N LYS A 58 25.202 8.151 -32.519 1.00 0.00 N ATOM 916 CA LYS A 58 25.322 8.468 -33.960 1.00 0.00 C ATOM 917 C LYS A 58 26.496 7.667 -34.593 1.00 0.00 C ATOM 918 O LYS A 58 26.332 6.975 -35.619 1.00 0.00 O ATOM 919 CB LYS A 58 25.512 10.002 -34.137 1.00 0.00 C ATOM 920 CG LYS A 58 25.155 10.549 -35.537 1.00 0.00 C ATOM 921 CD LYS A 58 23.649 10.362 -35.881 1.00 0.00 C ATOM 922 CE LYS A 58 23.239 11.080 -37.182 1.00 0.00 C ATOM 923 NZ LYS A 58 23.993 10.596 -38.365 1.00 0.00 N ATOM 0 H LYS A 58 25.456 8.927 -31.908 1.00 0.00 H new ATOM 0 HA LYS A 58 24.410 8.173 -34.479 1.00 0.00 H new ATOM 0 HB2 LYS A 58 24.900 10.516 -33.396 1.00 0.00 H new ATOM 0 HB3 LYS A 58 26.551 10.251 -33.921 1.00 0.00 H new ATOM 0 HG2 LYS A 58 25.407 11.608 -35.585 1.00 0.00 H new ATOM 0 HG3 LYS A 58 25.762 10.043 -36.288 1.00 0.00 H new ATOM 0 HD2 LYS A 58 23.432 9.298 -35.975 1.00 0.00 H new ATOM 0 HD3 LYS A 58 23.043 10.739 -35.057 1.00 0.00 H new ATOM 0 HE2 LYS A 58 22.172 10.935 -37.352 1.00 0.00 H new ATOM 0 HE3 LYS A 58 23.400 12.152 -37.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.679 11.111 -39.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 25.010 10.758 -38.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 23.820 9.579 -38.495 1.00 0.00 H new ATOM 937 N SER A 59 27.668 7.730 -33.936 1.00 0.00 N ATOM 938 CA SER A 59 28.870 6.986 -34.372 1.00 0.00 C ATOM 939 C SER A 59 28.689 5.470 -34.177 1.00 0.00 C ATOM 940 O SER A 59 29.284 4.675 -34.907 1.00 0.00 O ATOM 941 CB SER A 59 30.115 7.484 -33.610 1.00 0.00 C ATOM 942 OG SER A 59 30.341 8.862 -33.861 1.00 0.00 O ATOM 0 H SER A 59 27.811 8.291 -33.096 1.00 0.00 H new ATOM 0 HA SER A 59 29.013 7.171 -35.437 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.982 7.322 -32.540 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.988 6.906 -33.914 1.00 0.00 H new ATOM 0 HG SER A 59 31.134 9.159 -33.367 1.00 0.00 H new ATOM 948 N ILE A 60 27.852 5.083 -33.193 1.00 0.00 N ATOM 949 CA ILE A 60 27.557 3.674 -32.907 1.00 0.00 C ATOM 950 C ILE A 60 26.671 3.081 -34.022 1.00 0.00 C ATOM 951 O ILE A 60 26.987 2.044 -34.570 1.00 0.00 O ATOM 952 CB ILE A 60 26.855 3.495 -31.514 1.00 0.00 C ATOM 953 CG1 ILE A 60 27.681 4.141 -30.364 1.00 0.00 C ATOM 954 CG2 ILE A 60 26.615 2.004 -31.204 1.00 0.00 C ATOM 955 CD1 ILE A 60 26.943 4.209 -29.034 1.00 0.00 C ATOM 0 H ILE A 60 27.367 5.738 -32.580 1.00 0.00 H new ATOM 0 HA ILE A 60 28.506 3.140 -32.872 1.00 0.00 H new ATOM 0 HB ILE A 60 25.895 4.007 -31.576 1.00 0.00 H new ATOM 0 HG12 ILE A 60 28.602 3.573 -30.228 1.00 0.00 H new ATOM 0 HG13 ILE A 60 27.969 5.150 -30.660 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.128 1.908 -30.234 1.00 0.00 H new ATOM 0 HG22 ILE A 60 25.978 1.570 -31.975 1.00 0.00 H new ATOM 0 HG23 ILE A 60 27.570 1.478 -31.184 1.00 0.00 H new ATOM 0 HD11 ILE A 60 27.585 4.672 -28.285 1.00 0.00 H new ATOM 0 HD12 ILE A 60 26.036 4.802 -29.151 1.00 0.00 H new ATOM 0 HD13 ILE A 60 26.678 3.202 -28.713 1.00 0.00 H new ATOM 967 N ARG A 61 25.572 3.767 -34.371 1.00 0.00 N ATOM 968 CA ARG A 61 24.632 3.287 -35.418 1.00 0.00 C ATOM 969 C ARG A 61 25.286 3.319 -36.818 1.00 0.00 C ATOM 970 O ARG A 61 24.811 2.650 -37.741 1.00 0.00 O ATOM 971 CB ARG A 61 23.309 4.107 -35.384 1.00 0.00 C ATOM 972 CG ARG A 61 23.484 5.608 -35.706 1.00 0.00 C ATOM 973 CD ARG A 61 22.285 6.479 -35.282 1.00 0.00 C ATOM 974 NE ARG A 61 21.082 6.230 -36.088 1.00 0.00 N ATOM 975 CZ ARG A 61 19.931 6.906 -35.982 1.00 0.00 C ATOM 976 NH1 ARG A 61 19.766 7.844 -35.057 1.00 0.00 N ATOM 977 NH2 ARG A 61 18.934 6.608 -36.786 1.00 0.00 N ATOM 0 H ARG A 61 25.305 4.656 -33.949 1.00 0.00 H new ATOM 0 HA ARG A 61 24.386 2.247 -35.203 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.608 3.674 -36.097 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.860 4.009 -34.396 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.382 5.975 -35.208 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.644 5.724 -36.778 1.00 0.00 H new ATOM 0 HD2 ARG A 61 22.058 6.290 -34.233 1.00 0.00 H new ATOM 0 HD3 ARG A 61 22.560 7.531 -35.364 1.00 0.00 H new ATOM 0 HE ARG A 61 21.127 5.484 -36.782 1.00 0.00 H new ATOM 0 HH11 ARG A 61 20.524 8.061 -34.410 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.881 8.347 -34.993 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.042 5.869 -37.481 1.00 0.00 H new ATOM 0 HH22 ARG A 61 18.052 7.116 -36.715 1.00 0.00 H new ATOM 991 N LYS A 62 26.371 4.111 -36.982 1.00 0.00 N ATOM 992 CA LYS A 62 27.180 4.082 -38.216 1.00 0.00 C ATOM 993 C LYS A 62 28.154 2.873 -38.243 1.00 0.00 C ATOM 994 O LYS A 62 28.144 2.082 -39.193 1.00 0.00 O ATOM 995 CB LYS A 62 27.965 5.409 -38.395 1.00 0.00 C ATOM 996 CG LYS A 62 28.814 5.464 -39.694 1.00 0.00 C ATOM 997 CD LYS A 62 29.454 6.846 -39.959 1.00 0.00 C ATOM 998 CE LYS A 62 28.407 7.954 -40.177 1.00 0.00 C ATOM 999 NZ LYS A 62 29.026 9.252 -40.529 1.00 0.00 N ATOM 0 H LYS A 62 26.702 4.772 -36.279 1.00 0.00 H new ATOM 0 HA LYS A 62 26.487 3.968 -39.050 1.00 0.00 H new ATOM 0 HB2 LYS A 62 27.260 6.240 -38.397 1.00 0.00 H new ATOM 0 HB3 LYS A 62 28.622 5.551 -37.537 1.00 0.00 H new ATOM 0 HG2 LYS A 62 29.602 4.714 -39.634 1.00 0.00 H new ATOM 0 HG3 LYS A 62 28.183 5.197 -40.542 1.00 0.00 H new ATOM 0 HD2 LYS A 62 30.091 7.114 -39.116 1.00 0.00 H new ATOM 0 HD3 LYS A 62 30.097 6.782 -40.837 1.00 0.00 H new ATOM 0 HE2 LYS A 62 27.723 7.653 -40.971 1.00 0.00 H new ATOM 0 HE3 LYS A 62 27.812 8.072 -39.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 28.282 9.966 -40.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 29.659 9.554 -39.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 29.573 9.149 -41.408 1.00 0.00 H new ATOM 1013 N ASN A 63 28.976 2.730 -37.186 1.00 0.00 N ATOM 1014 CA ASN A 63 30.138 1.799 -37.178 1.00 0.00 C ATOM 1015 C ASN A 63 29.793 0.395 -36.647 1.00 0.00 C ATOM 1016 O ASN A 63 30.586 -0.538 -36.810 1.00 0.00 O ATOM 1017 CB ASN A 63 31.310 2.418 -36.370 1.00 0.00 C ATOM 1018 CG ASN A 63 31.966 3.593 -37.106 1.00 0.00 C ATOM 1019 OD1 ASN A 63 32.905 3.408 -37.882 1.00 0.00 O ATOM 1020 ND2 ASN A 63 31.475 4.806 -36.887 1.00 0.00 N ATOM 0 H ASN A 63 28.861 3.249 -36.316 1.00 0.00 H new ATOM 0 HA ASN A 63 30.439 1.663 -38.217 1.00 0.00 H new ATOM 0 HB2 ASN A 63 30.942 2.758 -35.402 1.00 0.00 H new ATOM 0 HB3 ASN A 63 32.059 1.651 -36.174 1.00 0.00 H new ATOM 0 HD21 ASN A 63 31.876 5.612 -37.366 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.697 4.932 -36.240 1.00 0.00 H new ATOM 1027 N ARG A 64 28.634 0.251 -35.993 1.00 0.00 N ATOM 1028 CA ARG A 64 28.142 -1.047 -35.501 1.00 0.00 C ATOM 1029 C ARG A 64 27.046 -1.537 -36.446 1.00 0.00 C ATOM 1030 O ARG A 64 25.960 -0.939 -36.518 1.00 0.00 O ATOM 1031 CB ARG A 64 27.619 -0.948 -34.037 1.00 0.00 C ATOM 1032 CG ARG A 64 28.637 -0.373 -33.013 1.00 0.00 C ATOM 1033 CD ARG A 64 29.841 -1.298 -32.724 1.00 0.00 C ATOM 1034 NE ARG A 64 30.728 -1.504 -33.888 1.00 0.00 N ATOM 1035 CZ ARG A 64 31.562 -2.540 -34.058 1.00 0.00 C ATOM 1036 NH1 ARG A 64 31.745 -3.436 -33.095 1.00 0.00 N ATOM 1037 NH2 ARG A 64 32.225 -2.663 -35.194 1.00 0.00 N ATOM 0 H ARG A 64 28.008 1.030 -35.789 1.00 0.00 H new ATOM 0 HA ARG A 64 28.965 -1.762 -35.486 1.00 0.00 H new ATOM 0 HB2 ARG A 64 26.725 -0.324 -34.028 1.00 0.00 H new ATOM 0 HB3 ARG A 64 27.317 -1.942 -33.707 1.00 0.00 H new ATOM 0 HG2 ARG A 64 29.009 0.582 -33.385 1.00 0.00 H new ATOM 0 HG3 ARG A 64 28.117 -0.170 -32.077 1.00 0.00 H new ATOM 0 HD2 ARG A 64 30.424 -0.875 -31.905 1.00 0.00 H new ATOM 0 HD3 ARG A 64 29.471 -2.266 -32.385 1.00 0.00 H new ATOM 0 HE ARG A 64 30.704 -0.798 -34.624 1.00 0.00 H new ATOM 0 HH11 ARG A 64 31.247 -3.342 -32.210 1.00 0.00 H new ATOM 0 HH12 ARG A 64 32.383 -4.218 -33.241 1.00 0.00 H new ATOM 0 HH21 ARG A 64 32.101 -1.973 -35.934 1.00 0.00 H new ATOM 0 HH22 ARG A 64 32.861 -3.448 -35.331 1.00 0.00 H new ATOM 1051 N ASN A 65 27.365 -2.598 -37.203 1.00 0.00 N ATOM 1052 CA ASN A 65 26.426 -3.238 -38.135 1.00 0.00 C ATOM 1053 C ASN A 65 25.257 -3.881 -37.387 1.00 0.00 C ATOM 1054 O ASN A 65 25.305 -4.050 -36.158 1.00 0.00 O ATOM 1055 CB ASN A 65 27.162 -4.313 -38.978 1.00 0.00 C ATOM 1056 CG ASN A 65 28.196 -3.726 -39.937 1.00 0.00 C ATOM 1057 OD1 ASN A 65 29.366 -3.569 -39.594 1.00 0.00 O ATOM 1058 ND2 ASN A 65 27.764 -3.393 -41.147 1.00 0.00 N ATOM 0 H ASN A 65 28.285 -3.037 -37.185 1.00 0.00 H new ATOM 0 HA ASN A 65 26.029 -2.467 -38.795 1.00 0.00 H new ATOM 0 HB2 ASN A 65 27.657 -5.015 -38.307 1.00 0.00 H new ATOM 0 HB3 ASN A 65 26.428 -4.882 -39.549 1.00 0.00 H new ATOM 0 HD21 ASN A 65 28.410 -2.993 -41.827 1.00 0.00 H new ATOM 0 HD22 ASN A 65 26.786 -3.538 -41.397 1.00 0.00 H new ATOM 1065 N CYS A 66 24.206 -4.249 -38.147 1.00 0.00 N ATOM 1066 CA CYS A 66 23.046 -4.960 -37.602 1.00 0.00 C ATOM 1067 C CYS A 66 23.506 -6.271 -36.959 1.00 0.00 C ATOM 1068 O CYS A 66 23.148 -6.549 -35.834 1.00 0.00 O ATOM 1069 CB CYS A 66 21.999 -5.216 -38.704 1.00 0.00 C ATOM 1070 SG CYS A 66 22.626 -6.131 -40.121 1.00 0.00 S ATOM 0 H CYS A 66 24.143 -4.061 -39.147 1.00 0.00 H new ATOM 0 HA CYS A 66 22.573 -4.344 -36.837 1.00 0.00 H new ATOM 0 HB2 CYS A 66 21.162 -5.765 -38.273 1.00 0.00 H new ATOM 0 HB3 CYS A 66 21.609 -4.258 -39.048 1.00 0.00 H new ATOM 0 HG CYS A 66 21.671 -6.296 -40.988 1.00 0.00 H new ATOM 1076 N SER A 67 24.394 -7.004 -37.668 1.00 0.00 N ATOM 1077 CA SER A 67 24.972 -8.291 -37.200 1.00 0.00 C ATOM 1078 C SER A 67 25.665 -8.173 -35.826 1.00 0.00 C ATOM 1079 O SER A 67 25.643 -9.117 -35.032 1.00 0.00 O ATOM 1080 CB SER A 67 25.973 -8.813 -38.245 1.00 0.00 C ATOM 1081 OG SER A 67 25.341 -8.982 -39.501 1.00 0.00 O ATOM 0 H SER A 67 24.734 -6.720 -38.587 1.00 0.00 H new ATOM 0 HA SER A 67 24.146 -8.992 -37.079 1.00 0.00 H new ATOM 0 HB2 SER A 67 26.804 -8.114 -38.341 1.00 0.00 H new ATOM 0 HB3 SER A 67 26.392 -9.763 -37.912 1.00 0.00 H new ATOM 0 HG SER A 67 25.993 -9.313 -40.153 1.00 0.00 H new ATOM 1087 N GLN A 68 26.268 -7.002 -35.572 1.00 0.00 N ATOM 1088 CA GLN A 68 26.945 -6.692 -34.297 1.00 0.00 C ATOM 1089 C GLN A 68 25.889 -6.566 -33.183 1.00 0.00 C ATOM 1090 O GLN A 68 26.056 -7.091 -32.081 1.00 0.00 O ATOM 1091 CB GLN A 68 27.776 -5.377 -34.462 1.00 0.00 C ATOM 1092 CG GLN A 68 28.840 -5.091 -33.373 1.00 0.00 C ATOM 1093 CD GLN A 68 28.305 -4.597 -32.014 1.00 0.00 C ATOM 1094 OE1 GLN A 68 28.899 -4.857 -30.980 1.00 0.00 O ATOM 1095 NE2 GLN A 68 27.222 -3.836 -32.007 1.00 0.00 N ATOM 0 H GLN A 68 26.302 -6.238 -36.246 1.00 0.00 H new ATOM 0 HA GLN A 68 27.633 -7.491 -34.021 1.00 0.00 H new ATOM 0 HB2 GLN A 68 28.278 -5.410 -35.429 1.00 0.00 H new ATOM 0 HB3 GLN A 68 27.083 -4.536 -34.491 1.00 0.00 H new ATOM 0 HG2 GLN A 68 29.413 -6.003 -33.205 1.00 0.00 H new ATOM 0 HG3 GLN A 68 29.535 -4.345 -33.760 1.00 0.00 H new ATOM 0 HE21 GLN A 68 26.738 -3.629 -32.881 1.00 0.00 H new ATOM 0 HE22 GLN A 68 26.871 -3.456 -31.128 1.00 0.00 H new ATOM 1104 N LEU A 69 24.800 -5.861 -33.519 1.00 0.00 N ATOM 1105 CA LEU A 69 23.669 -5.593 -32.615 1.00 0.00 C ATOM 1106 C LEU A 69 22.786 -6.840 -32.386 1.00 0.00 C ATOM 1107 O LEU A 69 22.109 -6.939 -31.356 1.00 0.00 O ATOM 1108 CB LEU A 69 22.849 -4.425 -33.203 1.00 0.00 C ATOM 1109 CG LEU A 69 23.642 -3.096 -33.375 1.00 0.00 C ATOM 1110 CD1 LEU A 69 22.796 -2.031 -34.079 1.00 0.00 C ATOM 1111 CD2 LEU A 69 24.164 -2.590 -32.013 1.00 0.00 C ATOM 0 H LEU A 69 24.677 -5.452 -34.445 1.00 0.00 H new ATOM 0 HA LEU A 69 24.057 -5.323 -31.633 1.00 0.00 H new ATOM 0 HB2 LEU A 69 22.457 -4.727 -34.174 1.00 0.00 H new ATOM 0 HB3 LEU A 69 21.991 -4.239 -32.557 1.00 0.00 H new ATOM 0 HG LEU A 69 24.504 -3.298 -34.010 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.378 -1.115 -34.184 1.00 0.00 H new ATOM 0 HD12 LEU A 69 22.505 -2.391 -35.066 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.902 -1.828 -33.489 1.00 0.00 H new ATOM 0 HD21 LEU A 69 24.715 -1.661 -32.157 1.00 0.00 H new ATOM 0 HD22 LEU A 69 23.322 -2.413 -31.344 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.824 -3.339 -31.575 1.00 0.00 H new ATOM 1123 N ILE A 70 22.805 -7.785 -33.349 1.00 0.00 N ATOM 1124 CA ILE A 70 22.120 -9.085 -33.212 1.00 0.00 C ATOM 1125 C ILE A 70 22.909 -9.924 -32.210 1.00 0.00 C ATOM 1126 O ILE A 70 22.344 -10.458 -31.268 1.00 0.00 O ATOM 1127 CB ILE A 70 22.005 -9.864 -34.582 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.296 -8.992 -35.661 1.00 0.00 C ATOM 1129 CG2 ILE A 70 21.254 -11.215 -34.394 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.437 -9.488 -37.097 1.00 0.00 C ATOM 0 H ILE A 70 23.293 -7.669 -34.237 1.00 0.00 H new ATOM 0 HA ILE A 70 21.101 -8.904 -32.871 1.00 0.00 H new ATOM 0 HB ILE A 70 23.016 -10.080 -34.927 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.235 -8.933 -35.417 1.00 0.00 H new ATOM 0 HG13 ILE A 70 21.693 -7.979 -35.604 1.00 0.00 H new ATOM 0 HG21 ILE A 70 21.189 -11.731 -35.352 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.797 -11.837 -33.683 1.00 0.00 H new ATOM 0 HG23 ILE A 70 20.250 -11.024 -34.016 1.00 0.00 H new ATOM 0 HD11 ILE A 70 20.908 -8.812 -37.769 1.00 0.00 H new ATOM 0 HD12 ILE A 70 22.492 -9.519 -37.369 1.00 0.00 H new ATOM 0 HD13 ILE A 70 21.012 -10.488 -37.180 1.00 0.00 H new ATOM 1142 N ALA A 71 24.240 -9.981 -32.421 1.00 0.00 N ATOM 1143 CA ALA A 71 25.182 -10.657 -31.511 1.00 0.00 C ATOM 1144 C ALA A 71 25.111 -10.065 -30.090 1.00 0.00 C ATOM 1145 O ALA A 71 25.258 -10.788 -29.113 1.00 0.00 O ATOM 1146 CB ALA A 71 26.614 -10.560 -32.068 1.00 0.00 C ATOM 0 H ALA A 71 24.692 -9.557 -33.231 1.00 0.00 H new ATOM 0 HA ALA A 71 24.898 -11.707 -31.445 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.303 -11.062 -31.389 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.657 -11.037 -33.047 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.897 -9.512 -32.163 1.00 0.00 H new ATOM 1152 N ALA A 72 24.871 -8.745 -30.009 1.00 0.00 N ATOM 1153 CA ALA A 72 24.769 -8.019 -28.730 1.00 0.00 C ATOM 1154 C ALA A 72 23.498 -8.422 -27.948 1.00 0.00 C ATOM 1155 O ALA A 72 23.584 -8.829 -26.783 1.00 0.00 O ATOM 1156 CB ALA A 72 24.804 -6.503 -28.983 1.00 0.00 C ATOM 0 H ALA A 72 24.742 -8.151 -30.828 1.00 0.00 H new ATOM 0 HA ALA A 72 25.625 -8.292 -28.113 1.00 0.00 H new ATOM 0 HB1 ALA A 72 24.728 -5.974 -28.033 1.00 0.00 H new ATOM 0 HB2 ALA A 72 25.741 -6.237 -29.473 1.00 0.00 H new ATOM 0 HB3 ALA A 72 23.968 -6.222 -29.623 1.00 0.00 H new ATOM 1162 N TYR A 73 22.320 -8.320 -28.614 1.00 0.00 N ATOM 1163 CA TYR A 73 21.009 -8.644 -27.994 1.00 0.00 C ATOM 1164 C TYR A 73 20.928 -10.152 -27.656 1.00 0.00 C ATOM 1165 O TYR A 73 20.377 -10.528 -26.618 1.00 0.00 O ATOM 1166 CB TYR A 73 19.835 -8.214 -28.924 1.00 0.00 C ATOM 1167 CG TYR A 73 18.440 -8.210 -28.252 1.00 0.00 C ATOM 1168 CD1 TYR A 73 17.971 -7.073 -27.594 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.596 -9.328 -28.275 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.733 -7.046 -26.984 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.349 -9.304 -27.666 1.00 0.00 C ATOM 1172 CZ TYR A 73 15.925 -8.157 -27.022 1.00 0.00 C ATOM 1173 OH TYR A 73 14.687 -8.120 -26.409 1.00 0.00 O ATOM 0 H TYR A 73 22.251 -8.015 -29.585 1.00 0.00 H new ATOM 0 HA TYR A 73 20.920 -8.082 -27.064 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.041 -7.214 -29.307 1.00 0.00 H new ATOM 0 HB3 TYR A 73 19.807 -8.884 -29.783 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.593 -6.191 -27.561 1.00 0.00 H new ATOM 0 HD2 TYR A 73 17.922 -10.227 -28.777 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.400 -6.152 -26.477 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.714 -10.177 -27.695 1.00 0.00 H new ATOM 0 HH TYR A 73 14.070 -8.716 -26.882 1.00 0.00 H new ATOM 1183 N LYS A 74 21.510 -11.002 -28.535 1.00 0.00 N ATOM 1184 CA LYS A 74 21.582 -12.459 -28.309 1.00 0.00 C ATOM 1185 C LYS A 74 22.427 -12.765 -27.082 1.00 0.00 C ATOM 1186 O LYS A 74 21.963 -13.452 -26.196 1.00 0.00 O ATOM 1187 CB LYS A 74 22.146 -13.233 -29.531 1.00 0.00 C ATOM 1188 CG LYS A 74 21.175 -13.321 -30.719 1.00 0.00 C ATOM 1189 CD LYS A 74 21.655 -14.278 -31.832 1.00 0.00 C ATOM 1190 CE LYS A 74 22.994 -13.852 -32.443 1.00 0.00 C ATOM 1191 NZ LYS A 74 23.367 -14.689 -33.607 1.00 0.00 N ATOM 0 H LYS A 74 21.937 -10.698 -29.410 1.00 0.00 H new ATOM 0 HA LYS A 74 20.558 -12.797 -28.152 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.065 -12.749 -29.862 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.412 -14.242 -29.217 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.201 -13.653 -30.359 1.00 0.00 H new ATOM 0 HG3 LYS A 74 21.037 -12.325 -31.140 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.751 -15.284 -31.424 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.900 -14.323 -32.617 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.935 -12.808 -32.752 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.775 -13.917 -31.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.279 -14.366 -33.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.449 -15.682 -33.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.636 -14.607 -34.342 1.00 0.00 H new ATOM 1205 N ASP A 75 23.655 -12.218 -27.039 1.00 0.00 N ATOM 1206 CA ASP A 75 24.610 -12.459 -25.933 1.00 0.00 C ATOM 1207 C ASP A 75 23.984 -12.086 -24.586 1.00 0.00 C ATOM 1208 O ASP A 75 24.151 -12.795 -23.607 1.00 0.00 O ATOM 1209 CB ASP A 75 25.904 -11.646 -26.150 1.00 0.00 C ATOM 1210 CG ASP A 75 26.931 -11.784 -25.003 1.00 0.00 C ATOM 1211 OD1 ASP A 75 27.547 -12.862 -24.877 1.00 0.00 O ATOM 1212 OD2 ASP A 75 27.137 -10.814 -24.238 1.00 0.00 O ATOM 0 H ASP A 75 24.016 -11.599 -27.765 1.00 0.00 H new ATOM 0 HA ASP A 75 24.855 -13.521 -25.924 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.370 -11.966 -27.082 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.645 -10.594 -26.268 1.00 0.00 H new ATOM 1217 N PHE A 76 23.236 -10.980 -24.595 1.00 0.00 N ATOM 1218 CA PHE A 76 22.509 -10.458 -23.428 1.00 0.00 C ATOM 1219 C PHE A 76 21.471 -11.499 -22.919 1.00 0.00 C ATOM 1220 O PHE A 76 21.479 -11.923 -21.735 1.00 0.00 O ATOM 1221 CB PHE A 76 21.811 -9.124 -23.859 1.00 0.00 C ATOM 1222 CG PHE A 76 21.413 -8.190 -22.729 1.00 0.00 C ATOM 1223 CD1 PHE A 76 22.297 -7.938 -21.684 1.00 0.00 C ATOM 1224 CD2 PHE A 76 20.176 -7.538 -22.721 1.00 0.00 C ATOM 1225 CE1 PHE A 76 21.959 -7.087 -20.662 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.838 -6.679 -21.696 1.00 0.00 C ATOM 1227 CZ PHE A 76 20.733 -6.453 -20.667 1.00 0.00 C ATOM 0 H PHE A 76 23.114 -10.408 -25.430 1.00 0.00 H new ATOM 0 HA PHE A 76 23.196 -10.267 -22.604 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.481 -8.586 -24.530 1.00 0.00 H new ATOM 0 HB3 PHE A 76 20.917 -9.372 -24.431 1.00 0.00 H new ATOM 0 HD1 PHE A 76 23.264 -8.420 -21.677 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.477 -7.709 -23.527 1.00 0.00 H new ATOM 0 HE1 PHE A 76 22.653 -6.913 -19.853 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.878 -6.185 -21.697 1.00 0.00 H new ATOM 0 HZ PHE A 76 20.472 -5.779 -19.865 1.00 0.00 H new ATOM 1237 N CYS A 77 20.628 -11.941 -23.856 1.00 0.00 N ATOM 1238 CA CYS A 77 19.521 -12.866 -23.583 1.00 0.00 C ATOM 1239 C CYS A 77 20.002 -14.294 -23.231 1.00 0.00 C ATOM 1240 O CYS A 77 19.405 -14.965 -22.392 1.00 0.00 O ATOM 1241 CB CYS A 77 18.579 -12.881 -24.791 1.00 0.00 C ATOM 1242 SG CYS A 77 17.885 -11.262 -25.174 1.00 0.00 S ATOM 0 H CYS A 77 20.694 -11.665 -24.836 1.00 0.00 H new ATOM 0 HA CYS A 77 18.990 -12.509 -22.701 1.00 0.00 H new ATOM 0 HB2 CYS A 77 19.121 -13.251 -25.661 1.00 0.00 H new ATOM 0 HB3 CYS A 77 17.766 -13.581 -24.600 1.00 0.00 H new ATOM 0 HG CYS A 77 18.747 -10.571 -25.859 1.00 0.00 H new ATOM 1248 N GLU A 78 21.105 -14.715 -23.859 1.00 0.00 N ATOM 1249 CA GLU A 78 21.714 -16.050 -23.676 1.00 0.00 C ATOM 1250 C GLU A 78 22.544 -16.082 -22.384 1.00 0.00 C ATOM 1251 O GLU A 78 22.749 -17.144 -21.791 1.00 0.00 O ATOM 1252 CB GLU A 78 22.608 -16.399 -24.892 1.00 0.00 C ATOM 1253 CG GLU A 78 21.850 -16.548 -26.228 1.00 0.00 C ATOM 1254 CD GLU A 78 20.928 -17.777 -26.289 1.00 0.00 C ATOM 1255 OE1 GLU A 78 21.450 -18.914 -26.302 1.00 0.00 O ATOM 1256 OE2 GLU A 78 19.691 -17.619 -26.351 1.00 0.00 O ATOM 0 H GLU A 78 21.614 -14.131 -24.523 1.00 0.00 H new ATOM 0 HA GLU A 78 20.918 -16.791 -23.600 1.00 0.00 H new ATOM 0 HB2 GLU A 78 23.365 -15.623 -25.004 1.00 0.00 H new ATOM 0 HB3 GLU A 78 23.135 -17.330 -24.683 1.00 0.00 H new ATOM 0 HG2 GLU A 78 21.255 -15.651 -26.398 1.00 0.00 H new ATOM 0 HG3 GLU A 78 22.574 -16.609 -27.040 1.00 0.00 H new ATOM 1263 N HIS A 79 23.031 -14.893 -21.977 1.00 0.00 N ATOM 1264 CA HIS A 79 23.736 -14.686 -20.692 1.00 0.00 C ATOM 1265 C HIS A 79 22.750 -14.922 -19.542 1.00 0.00 C ATOM 1266 O HIS A 79 23.108 -15.508 -18.513 1.00 0.00 O ATOM 1267 CB HIS A 79 24.319 -13.243 -20.618 1.00 0.00 C ATOM 1268 CG HIS A 79 25.376 -12.997 -19.568 1.00 0.00 C ATOM 1269 ND1 HIS A 79 26.622 -12.482 -19.873 1.00 0.00 N ATOM 1270 CD2 HIS A 79 25.368 -13.165 -18.222 1.00 0.00 C ATOM 1271 CE1 HIS A 79 27.323 -12.337 -18.765 1.00 0.00 C ATOM 1272 NE2 HIS A 79 26.590 -12.743 -17.752 1.00 0.00 N ATOM 0 H HIS A 79 22.947 -14.042 -22.533 1.00 0.00 H new ATOM 0 HA HIS A 79 24.565 -15.389 -20.614 1.00 0.00 H new ATOM 0 HB2 HIS A 79 24.741 -12.995 -21.592 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.496 -12.551 -20.442 1.00 0.00 H new ATOM 0 HD2 HIS A 79 24.554 -13.557 -17.630 1.00 0.00 H new ATOM 0 HE1 HIS A 79 28.329 -11.950 -18.701 1.00 0.00 H new ATOM 0 HE2 HIS A 79 26.881 -12.745 -16.774 1.00 0.00 H new ATOM 1281 N GLY A 80 21.501 -14.461 -19.739 1.00 0.00 N ATOM 1282 CA GLY A 80 20.456 -14.630 -18.718 1.00 0.00 C ATOM 1283 C GLY A 80 20.261 -13.350 -17.937 1.00 0.00 C ATOM 1284 O GLY A 80 20.159 -13.370 -16.705 1.00 0.00 O ATOM 0 H GLY A 80 21.196 -13.976 -20.583 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.519 -14.918 -19.194 1.00 0.00 H new ATOM 0 HA3 GLY A 80 20.730 -15.438 -18.040 1.00 0.00 H new