USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=21 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= -0.25 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 32 LYS NZ :NH3+ -112:sc= 0.805 (180deg=0.314) USER MOD Set 2.2: A 65 ASN : amide:sc= 0.274 K(o=1.1,f=-6.1) USER MOD Set 3.1: A 33 ASN :FLIP amide:sc=-0.00293 F(o=-0.79,f=0.65) USER MOD Set 3.2: A 37 THR OG1 : rot 64:sc= 1.19 USER MOD Set 3.3: A 57 ASN : amide:sc= -0.54 K(o=0.65,f=-1.5!) USER MOD Set 4.1: A 15 CYS SG : rot 180:sc= 0 USER MOD Set 4.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -0.361 K(o=-0.36,f=-1.5) USER MOD Single : A 23 GLN : amide:sc= -0.0419 X(o=-0.042,f=-0.18) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -66:sc= 1.35 USER MOD Single : A 40 GLN :FLIP amide:sc= -1.05 F(o=-3.4!,f=-1) USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= 1.06 (180deg=0.169) USER MOD Single : A 42 ASN : amide:sc= 0.614 K(o=0.61,f=0) USER MOD Single : A 50 HIS : no HE2:sc= 0.858 K(o=0.86,f=-2.8!) USER MOD Single : A 52 LYS NZ :NH3+ 155:sc= 0.0457 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -26:sc= 0.118 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=-0.00404 USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0458) USER MOD Single : A 63 ASN : amide:sc= 0.709 K(o=0.71,f=0) USER MOD Single : A 68 GLN : amide:sc= 0.0354 K(o=0.035,f=-2.9!) USER MOD Single : A 73 TYR OH : rot 166:sc= 0.762 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot -85:sc= 0.0784 USER MOD Single : A 79 HIS : no HD1:sc= 0 K(o=0,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 194 N MET A 13 10.450 -1.242 -22.216 1.00 0.00 N ATOM 195 CA MET A 13 10.421 -1.152 -23.685 1.00 0.00 C ATOM 196 C MET A 13 11.421 -2.125 -24.311 1.00 0.00 C ATOM 197 O MET A 13 12.331 -2.611 -23.635 1.00 0.00 O ATOM 198 CB MET A 13 10.767 0.287 -24.170 1.00 0.00 C ATOM 199 CG MET A 13 12.170 0.793 -23.752 1.00 0.00 C ATOM 200 SD MET A 13 12.980 1.823 -25.000 1.00 0.00 S ATOM 201 CE MET A 13 13.619 0.571 -26.122 1.00 0.00 C ATOM 0 HA MET A 13 9.409 -1.408 -23.998 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.695 0.316 -25.257 1.00 0.00 H new ATOM 0 HB3 MET A 13 10.017 0.976 -23.782 1.00 0.00 H new ATOM 0 HG2 MET A 13 12.079 1.363 -22.828 1.00 0.00 H new ATOM 0 HG3 MET A 13 12.806 -0.066 -23.536 1.00 0.00 H new ATOM 0 HE1 MET A 13 14.145 1.054 -26.945 1.00 0.00 H new ATOM 0 HE2 MET A 13 14.307 -0.082 -25.585 1.00 0.00 H new ATOM 0 HE3 MET A 13 12.792 -0.020 -26.517 1.00 0.00 H new ATOM 211 N GLY A 14 11.224 -2.397 -25.602 1.00 0.00 N ATOM 212 CA GLY A 14 12.213 -3.074 -26.422 1.00 0.00 C ATOM 213 C GLY A 14 12.399 -4.557 -26.135 1.00 0.00 C ATOM 214 O GLY A 14 13.445 -5.129 -26.468 1.00 0.00 O ATOM 0 H GLY A 14 10.370 -2.151 -26.103 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.933 -2.957 -27.469 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.172 -2.573 -26.291 1.00 0.00 H new ATOM 218 N CYS A 15 11.405 -5.185 -25.511 1.00 0.00 N ATOM 219 CA CYS A 15 11.425 -6.627 -25.258 1.00 0.00 C ATOM 220 C CYS A 15 10.947 -7.377 -26.521 1.00 0.00 C ATOM 221 O CYS A 15 9.766 -7.737 -26.642 1.00 0.00 O ATOM 222 CB CYS A 15 10.555 -6.938 -24.022 1.00 0.00 C ATOM 223 SG CYS A 15 11.099 -6.078 -22.524 1.00 0.00 S ATOM 0 H CYS A 15 10.568 -4.714 -25.168 1.00 0.00 H new ATOM 0 HA CYS A 15 12.438 -6.967 -25.042 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.522 -6.662 -24.235 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.567 -8.013 -23.840 1.00 0.00 H new ATOM 0 HG CYS A 15 10.316 -6.391 -21.535 1.00 0.00 H new ATOM 229 N TRP A 16 11.871 -7.553 -27.489 1.00 0.00 N ATOM 230 CA TRP A 16 11.579 -8.224 -28.777 1.00 0.00 C ATOM 231 C TRP A 16 12.072 -9.682 -28.752 1.00 0.00 C ATOM 232 O TRP A 16 12.760 -10.111 -27.812 1.00 0.00 O ATOM 233 CB TRP A 16 12.264 -7.484 -29.966 1.00 0.00 C ATOM 234 CG TRP A 16 12.136 -5.979 -29.935 1.00 0.00 C ATOM 235 CD1 TRP A 16 11.003 -5.237 -30.119 1.00 0.00 C ATOM 236 CD2 TRP A 16 13.193 -5.035 -29.707 1.00 0.00 C ATOM 237 NE1 TRP A 16 11.296 -3.903 -30.020 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.633 -3.755 -29.760 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.558 -5.157 -29.451 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.391 -2.601 -29.570 1.00 0.00 C ATOM 241 CZ3 TRP A 16 15.309 -4.016 -29.264 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.724 -2.749 -29.320 1.00 0.00 C ATOM 0 H TRP A 16 12.837 -7.236 -27.402 1.00 0.00 H new ATOM 0 HA TRP A 16 10.498 -8.202 -28.916 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.322 -7.744 -29.976 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.837 -7.852 -30.899 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.021 -5.643 -30.314 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.626 -3.141 -30.123 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.021 -6.132 -29.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 12.938 -1.622 -29.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.368 -4.103 -29.071 1.00 0.00 H new ATOM 0 HH2 TRP A 16 15.336 -1.873 -29.163 1.00 0.00 H new ATOM 253 N SER A 17 11.690 -10.433 -29.792 1.00 0.00 N ATOM 254 CA SER A 17 12.306 -11.719 -30.121 1.00 0.00 C ATOM 255 C SER A 17 13.597 -11.469 -30.922 1.00 0.00 C ATOM 256 O SER A 17 13.739 -10.421 -31.572 1.00 0.00 O ATOM 257 CB SER A 17 11.324 -12.581 -30.951 1.00 0.00 C ATOM 258 OG SER A 17 10.141 -12.869 -30.218 1.00 0.00 O ATOM 0 H SER A 17 10.942 -10.162 -30.430 1.00 0.00 H new ATOM 0 HA SER A 17 12.546 -12.254 -29.202 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.065 -12.057 -31.871 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.810 -13.512 -31.241 1.00 0.00 H new ATOM 0 HG SER A 17 9.540 -13.413 -30.768 1.00 0.00 H new ATOM 264 N ILE A 18 14.515 -12.447 -30.876 1.00 0.00 N ATOM 265 CA ILE A 18 15.794 -12.410 -31.613 1.00 0.00 C ATOM 266 C ILE A 18 15.554 -12.168 -33.123 1.00 0.00 C ATOM 267 O ILE A 18 16.272 -11.390 -33.758 1.00 0.00 O ATOM 268 CB ILE A 18 16.588 -13.758 -31.413 1.00 0.00 C ATOM 269 CG1 ILE A 18 16.868 -14.034 -29.892 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.887 -13.804 -32.260 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.593 -12.930 -29.147 1.00 0.00 C ATOM 0 H ILE A 18 14.392 -13.295 -30.322 1.00 0.00 H new ATOM 0 HA ILE A 18 16.384 -11.585 -31.214 1.00 0.00 H new ATOM 0 HB ILE A 18 15.952 -14.564 -31.780 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.916 -14.219 -29.394 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.454 -14.949 -29.809 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.399 -14.751 -32.089 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.636 -13.713 -33.317 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.540 -12.981 -31.970 1.00 0.00 H new ATOM 0 HD11 ILE A 18 17.734 -13.225 -28.107 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.564 -12.756 -29.610 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.002 -12.015 -29.188 1.00 0.00 H new ATOM 283 N GLU A 19 14.507 -12.822 -33.663 1.00 0.00 N ATOM 284 CA GLU A 19 14.153 -12.727 -35.085 1.00 0.00 C ATOM 285 C GLU A 19 13.579 -11.347 -35.464 1.00 0.00 C ATOM 286 O GLU A 19 13.880 -10.844 -36.545 1.00 0.00 O ATOM 287 CB GLU A 19 13.197 -13.862 -35.501 1.00 0.00 C ATOM 288 CG GLU A 19 13.849 -15.258 -35.504 1.00 0.00 C ATOM 289 CD GLU A 19 12.981 -16.311 -36.210 1.00 0.00 C ATOM 290 OE1 GLU A 19 12.073 -16.880 -35.571 1.00 0.00 O ATOM 291 OE2 GLU A 19 13.187 -16.547 -37.423 1.00 0.00 O ATOM 0 H GLU A 19 13.888 -13.428 -33.125 1.00 0.00 H new ATOM 0 HA GLU A 19 15.081 -12.843 -35.644 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.344 -13.872 -34.823 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.810 -13.651 -36.498 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.819 -15.201 -35.998 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.032 -15.572 -34.476 1.00 0.00 H new ATOM 298 N HIS A 20 12.769 -10.724 -34.580 1.00 0.00 N ATOM 299 CA HIS A 20 12.233 -9.361 -34.844 1.00 0.00 C ATOM 300 C HIS A 20 13.399 -8.361 -34.967 1.00 0.00 C ATOM 301 O HIS A 20 13.418 -7.505 -35.866 1.00 0.00 O ATOM 302 CB HIS A 20 11.246 -8.901 -33.739 1.00 0.00 C ATOM 303 CG HIS A 20 10.657 -7.527 -33.988 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.645 -7.293 -34.895 1.00 0.00 N ATOM 305 CD2 HIS A 20 10.985 -6.310 -33.487 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.382 -5.997 -34.941 1.00 0.00 C ATOM 307 NE2 HIS A 20 10.179 -5.378 -34.094 1.00 0.00 N ATOM 0 H HIS A 20 12.474 -11.130 -33.692 1.00 0.00 H new ATOM 0 HA HIS A 20 11.677 -9.395 -35.781 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.436 -9.626 -33.662 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.763 -8.897 -32.780 1.00 0.00 H new ATOM 0 HD1 HIS A 20 9.172 -8.009 -35.446 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.743 -6.110 -32.745 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.639 -5.526 -35.567 1.00 0.00 H new ATOM 316 N VAL A 21 14.373 -8.518 -34.054 1.00 0.00 N ATOM 317 CA VAL A 21 15.616 -7.744 -34.044 1.00 0.00 C ATOM 318 C VAL A 21 16.348 -7.893 -35.393 1.00 0.00 C ATOM 319 O VAL A 21 16.429 -6.939 -36.147 1.00 0.00 O ATOM 320 CB VAL A 21 16.530 -8.199 -32.838 1.00 0.00 C ATOM 321 CG1 VAL A 21 17.946 -7.583 -32.896 1.00 0.00 C ATOM 322 CG2 VAL A 21 15.845 -7.862 -31.497 1.00 0.00 C ATOM 0 H VAL A 21 14.314 -9.196 -33.294 1.00 0.00 H new ATOM 0 HA VAL A 21 15.380 -6.689 -33.907 1.00 0.00 H new ATOM 0 HB VAL A 21 16.656 -9.279 -32.919 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.529 -7.930 -32.043 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.438 -7.887 -33.820 1.00 0.00 H new ATOM 0 HG13 VAL A 21 17.871 -6.496 -32.866 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.483 -8.180 -30.672 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.679 -6.787 -31.434 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.889 -8.381 -31.436 1.00 0.00 H new ATOM 332 N GLU A 22 16.764 -9.126 -35.724 1.00 0.00 N ATOM 333 CA GLU A 22 17.668 -9.393 -36.865 1.00 0.00 C ATOM 334 C GLU A 22 17.051 -9.067 -38.237 1.00 0.00 C ATOM 335 O GLU A 22 17.755 -8.597 -39.138 1.00 0.00 O ATOM 336 CB GLU A 22 18.159 -10.859 -36.829 1.00 0.00 C ATOM 337 CG GLU A 22 17.080 -11.934 -37.015 1.00 0.00 C ATOM 338 CD GLU A 22 17.639 -13.360 -36.906 1.00 0.00 C ATOM 339 OE1 GLU A 22 18.119 -13.897 -37.926 1.00 0.00 O ATOM 340 OE2 GLU A 22 17.606 -13.947 -35.801 1.00 0.00 O ATOM 0 H GLU A 22 16.487 -9.965 -35.214 1.00 0.00 H new ATOM 0 HA GLU A 22 18.514 -8.716 -36.747 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.911 -10.989 -37.607 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.655 -11.032 -35.874 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.301 -11.795 -36.265 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.610 -11.806 -37.990 1.00 0.00 H new ATOM 347 N GLN A 23 15.738 -9.314 -38.379 1.00 0.00 N ATOM 348 CA GLN A 23 15.033 -9.124 -39.656 1.00 0.00 C ATOM 349 C GLN A 23 14.727 -7.636 -39.896 1.00 0.00 C ATOM 350 O GLN A 23 14.888 -7.137 -41.015 1.00 0.00 O ATOM 351 CB GLN A 23 13.727 -9.965 -39.699 1.00 0.00 C ATOM 352 CG GLN A 23 13.938 -11.500 -39.596 1.00 0.00 C ATOM 353 CD GLN A 23 14.831 -12.095 -40.694 1.00 0.00 C ATOM 354 OE1 GLN A 23 14.838 -11.626 -41.834 1.00 0.00 O ATOM 355 NE2 GLN A 23 15.593 -13.132 -40.359 1.00 0.00 N ATOM 0 H GLN A 23 15.142 -9.647 -37.621 1.00 0.00 H new ATOM 0 HA GLN A 23 15.687 -9.471 -40.456 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.079 -9.646 -38.883 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.201 -9.746 -40.628 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.376 -11.729 -38.625 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.965 -11.991 -39.631 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.566 -13.498 -39.407 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.205 -13.561 -41.054 1.00 0.00 H new ATOM 364 N TYR A 24 14.290 -6.926 -38.833 1.00 0.00 N ATOM 365 CA TYR A 24 13.863 -5.515 -38.948 1.00 0.00 C ATOM 366 C TYR A 24 15.010 -4.515 -38.647 1.00 0.00 C ATOM 367 O TYR A 24 14.814 -3.313 -38.831 1.00 0.00 O ATOM 368 CB TYR A 24 12.638 -5.235 -38.039 1.00 0.00 C ATOM 369 CG TYR A 24 11.354 -5.979 -38.440 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.205 -7.334 -38.178 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.294 -5.326 -39.072 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.050 -8.011 -38.517 1.00 0.00 C ATOM 373 CE2 TYR A 24 9.133 -5.997 -39.410 1.00 0.00 C ATOM 374 CZ TYR A 24 9.017 -7.342 -39.133 1.00 0.00 C ATOM 375 OH TYR A 24 7.861 -8.016 -39.465 1.00 0.00 O ATOM 0 H TYR A 24 14.224 -7.306 -37.889 1.00 0.00 H new ATOM 0 HA TYR A 24 13.574 -5.359 -39.987 1.00 0.00 H new ATOM 0 HB2 TYR A 24 12.894 -5.507 -37.015 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.437 -4.164 -38.044 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.010 -7.871 -37.698 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.383 -4.274 -39.302 1.00 0.00 H new ATOM 0 HE1 TYR A 24 9.957 -9.065 -38.299 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.321 -5.470 -39.889 1.00 0.00 H new ATOM 0 HH TYR A 24 7.232 -7.397 -39.892 1.00 0.00 H new ATOM 385 N LEU A 25 16.195 -4.994 -38.187 1.00 0.00 N ATOM 386 CA LEU A 25 17.357 -4.105 -37.910 1.00 0.00 C ATOM 387 C LEU A 25 17.836 -3.413 -39.200 1.00 0.00 C ATOM 388 O LEU A 25 18.271 -4.073 -40.149 1.00 0.00 O ATOM 389 CB LEU A 25 18.544 -4.862 -37.205 1.00 0.00 C ATOM 390 CG LEU A 25 18.633 -4.703 -35.648 1.00 0.00 C ATOM 391 CD1 LEU A 25 19.869 -5.426 -35.077 1.00 0.00 C ATOM 392 CD2 LEU A 25 18.629 -3.219 -35.237 1.00 0.00 C ATOM 0 H LEU A 25 16.372 -5.981 -38.001 1.00 0.00 H new ATOM 0 HA LEU A 25 17.012 -3.343 -37.212 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.461 -5.924 -37.438 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.481 -4.513 -37.640 1.00 0.00 H new ATOM 0 HG LEU A 25 17.746 -5.173 -35.223 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.900 -5.295 -33.995 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.810 -6.489 -35.313 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.773 -5.006 -35.519 1.00 0.00 H new ATOM 0 HD21 LEU A 25 18.692 -3.142 -34.152 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.484 -2.715 -35.687 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.708 -2.749 -35.582 1.00 0.00 H new ATOM 404 N GLY A 26 17.714 -2.075 -39.212 1.00 0.00 N ATOM 405 CA GLY A 26 18.090 -1.242 -40.357 1.00 0.00 C ATOM 406 C GLY A 26 16.909 -0.446 -40.907 1.00 0.00 C ATOM 407 O GLY A 26 17.103 0.521 -41.654 1.00 0.00 O ATOM 0 H GLY A 26 17.350 -1.542 -38.422 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.881 -0.554 -40.059 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.498 -1.875 -41.145 1.00 0.00 H new ATOM 411 N THR A 27 15.683 -0.852 -40.522 1.00 0.00 N ATOM 412 CA THR A 27 14.432 -0.220 -40.992 1.00 0.00 C ATOM 413 C THR A 27 13.965 0.865 -39.995 1.00 0.00 C ATOM 414 O THR A 27 14.635 1.129 -38.988 1.00 0.00 O ATOM 415 CB THR A 27 13.295 -1.293 -41.171 1.00 0.00 C ATOM 416 OG1 THR A 27 12.830 -1.751 -39.888 1.00 0.00 O ATOM 417 CG2 THR A 27 13.767 -2.506 -41.997 1.00 0.00 C ATOM 0 H THR A 27 15.531 -1.627 -39.877 1.00 0.00 H new ATOM 0 HA THR A 27 14.635 0.243 -41.958 1.00 0.00 H new ATOM 0 HB THR A 27 12.483 -0.806 -41.711 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.549 -2.238 -39.434 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.949 -3.220 -42.094 1.00 0.00 H new ATOM 0 HG22 THR A 27 14.078 -2.173 -42.987 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.608 -2.984 -41.494 1.00 0.00 H new ATOM 425 N ASP A 28 12.813 1.496 -40.297 1.00 0.00 N ATOM 426 CA ASP A 28 12.123 2.402 -39.357 1.00 0.00 C ATOM 427 C ASP A 28 11.374 1.590 -38.279 1.00 0.00 C ATOM 428 O ASP A 28 11.164 2.070 -37.157 1.00 0.00 O ATOM 429 CB ASP A 28 11.140 3.327 -40.129 1.00 0.00 C ATOM 430 CG ASP A 28 10.335 4.284 -39.222 1.00 0.00 C ATOM 431 OD1 ASP A 28 10.951 5.113 -38.518 1.00 0.00 O ATOM 432 OD2 ASP A 28 9.085 4.219 -39.212 1.00 0.00 O ATOM 0 H ASP A 28 12.337 1.393 -41.193 1.00 0.00 H new ATOM 0 HA ASP A 28 12.867 3.025 -38.860 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.704 3.916 -40.852 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.444 2.708 -40.696 1.00 0.00 H new ATOM 437 N GLU A 29 10.994 0.346 -38.638 1.00 0.00 N ATOM 438 CA GLU A 29 10.252 -0.565 -37.748 1.00 0.00 C ATOM 439 C GLU A 29 11.115 -0.987 -36.543 1.00 0.00 C ATOM 440 O GLU A 29 10.615 -1.091 -35.414 1.00 0.00 O ATOM 441 CB GLU A 29 9.788 -1.822 -38.524 1.00 0.00 C ATOM 442 CG GLU A 29 9.006 -1.537 -39.822 1.00 0.00 C ATOM 443 CD GLU A 29 7.828 -0.565 -39.634 1.00 0.00 C ATOM 444 OE1 GLU A 29 6.794 -0.975 -39.065 1.00 0.00 O ATOM 445 OE2 GLU A 29 7.932 0.617 -40.043 1.00 0.00 O ATOM 0 H GLU A 29 11.194 -0.054 -39.555 1.00 0.00 H new ATOM 0 HA GLU A 29 9.378 -0.030 -37.378 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.664 -2.422 -38.770 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.163 -2.426 -37.866 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.690 -1.126 -40.565 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.629 -2.478 -40.222 1.00 0.00 H new ATOM 452 N LEU A 30 12.410 -1.243 -36.808 1.00 0.00 N ATOM 453 CA LEU A 30 13.409 -1.505 -35.759 1.00 0.00 C ATOM 454 C LEU A 30 14.710 -0.792 -36.158 1.00 0.00 C ATOM 455 O LEU A 30 15.549 -1.366 -36.870 1.00 0.00 O ATOM 456 CB LEU A 30 13.625 -3.043 -35.531 1.00 0.00 C ATOM 457 CG LEU A 30 13.914 -3.505 -34.067 1.00 0.00 C ATOM 458 CD1 LEU A 30 15.264 -2.984 -33.521 1.00 0.00 C ATOM 459 CD2 LEU A 30 12.746 -3.094 -33.157 1.00 0.00 C ATOM 0 H LEU A 30 12.791 -1.274 -37.754 1.00 0.00 H new ATOM 0 HA LEU A 30 13.056 -1.115 -34.804 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.736 -3.567 -35.883 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.455 -3.366 -36.159 1.00 0.00 H new ATOM 0 HG LEU A 30 14.001 -4.591 -34.077 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.405 -3.340 -32.500 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.076 -3.351 -34.149 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.263 -1.894 -33.529 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.949 -3.417 -32.136 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.632 -2.010 -33.179 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.827 -3.563 -33.510 1.00 0.00 H new ATOM 471 N PRO A 31 14.867 0.508 -35.762 1.00 0.00 N ATOM 472 CA PRO A 31 16.121 1.235 -35.971 1.00 0.00 C ATOM 473 C PRO A 31 17.253 0.653 -35.102 1.00 0.00 C ATOM 474 O PRO A 31 17.027 0.217 -33.962 1.00 0.00 O ATOM 475 CB PRO A 31 15.782 2.701 -35.588 1.00 0.00 C ATOM 476 CG PRO A 31 14.586 2.609 -34.689 1.00 0.00 C ATOM 477 CD PRO A 31 13.832 1.363 -35.108 1.00 0.00 C ATOM 0 HA PRO A 31 16.486 1.160 -36.995 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.620 3.179 -35.080 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.564 3.298 -36.473 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.889 2.547 -33.644 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.958 3.494 -34.786 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.385 0.861 -34.250 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.021 1.601 -35.796 1.00 0.00 H new ATOM 485 N LYS A 32 18.463 0.648 -35.675 1.00 0.00 N ATOM 486 CA LYS A 32 19.701 0.239 -34.992 1.00 0.00 C ATOM 487 C LYS A 32 19.942 1.110 -33.748 1.00 0.00 C ATOM 488 O LYS A 32 20.455 0.632 -32.732 1.00 0.00 O ATOM 489 CB LYS A 32 20.881 0.347 -35.988 1.00 0.00 C ATOM 490 CG LYS A 32 20.745 -0.563 -37.235 1.00 0.00 C ATOM 491 CD LYS A 32 21.931 -0.420 -38.215 1.00 0.00 C ATOM 492 CE LYS A 32 22.074 1.006 -38.785 1.00 0.00 C ATOM 493 NZ LYS A 32 23.209 1.118 -39.731 1.00 0.00 N ATOM 0 H LYS A 32 18.614 0.933 -36.643 1.00 0.00 H new ATOM 0 HA LYS A 32 19.613 -0.794 -34.655 1.00 0.00 H new ATOM 0 HB2 LYS A 32 20.971 1.383 -36.316 1.00 0.00 H new ATOM 0 HB3 LYS A 32 21.805 0.096 -35.468 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.669 -1.602 -36.914 1.00 0.00 H new ATOM 0 HG3 LYS A 32 19.818 -0.321 -37.756 1.00 0.00 H new ATOM 0 HD2 LYS A 32 22.853 -0.695 -37.703 1.00 0.00 H new ATOM 0 HD3 LYS A 32 21.802 -1.123 -39.038 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.151 1.287 -39.292 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.215 1.711 -37.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.949 1.719 -39.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.597 0.172 -39.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 22.878 1.542 -40.621 1.00 0.00 H new ATOM 507 N ASN A 33 19.500 2.379 -33.850 1.00 0.00 N ATOM 508 CA ASN A 33 19.509 3.350 -32.743 1.00 0.00 C ATOM 509 C ASN A 33 18.770 2.767 -31.520 1.00 0.00 C ATOM 510 O ASN A 33 19.341 2.694 -30.438 1.00 0.00 O ATOM 511 CB ASN A 33 18.832 4.682 -33.205 1.00 0.00 C ATOM 512 CG ASN A 33 19.093 5.926 -32.321 1.00 0.00 C ATOM 513 OD1 ASN A 33 19.242 5.771 -31.004 1.00 0.00 O flip ATOM 514 ND2 ASN A 33 19.144 7.046 -32.835 1.00 0.00 N flip ATOM 0 H ASN A 33 19.122 2.762 -34.717 1.00 0.00 H new ATOM 0 HA ASN A 33 20.540 3.558 -32.457 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.170 4.904 -34.217 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.756 4.519 -33.257 1.00 0.00 H new ATOM 0 HD21 ASN A 33 19.028 7.150 -33.843 1.00 0.00 H new ATOM 0 HD22 ASN A 33 19.302 7.868 -32.252 1.00 0.00 H new ATOM 521 N ASP A 34 17.514 2.321 -31.736 1.00 0.00 N ATOM 522 CA ASP A 34 16.603 1.878 -30.647 1.00 0.00 C ATOM 523 C ASP A 34 17.090 0.565 -29.999 1.00 0.00 C ATOM 524 O ASP A 34 16.844 0.325 -28.809 1.00 0.00 O ATOM 525 CB ASP A 34 15.153 1.713 -31.188 1.00 0.00 C ATOM 526 CG ASP A 34 14.079 1.697 -30.080 1.00 0.00 C ATOM 527 OD1 ASP A 34 13.776 0.621 -29.535 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.519 2.772 -29.768 1.00 0.00 O ATOM 0 H ASP A 34 17.099 2.256 -32.666 1.00 0.00 H new ATOM 0 HA ASP A 34 16.607 2.648 -29.876 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.937 2.527 -31.880 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.090 0.786 -31.757 1.00 0.00 H new ATOM 533 N LEU A 35 17.796 -0.264 -30.792 1.00 0.00 N ATOM 534 CA LEU A 35 18.453 -1.493 -30.298 1.00 0.00 C ATOM 535 C LEU A 35 19.524 -1.102 -29.251 1.00 0.00 C ATOM 536 O LEU A 35 19.469 -1.529 -28.088 1.00 0.00 O ATOM 537 CB LEU A 35 19.076 -2.277 -31.506 1.00 0.00 C ATOM 538 CG LEU A 35 19.552 -3.767 -31.286 1.00 0.00 C ATOM 539 CD1 LEU A 35 20.809 -3.890 -30.401 1.00 0.00 C ATOM 540 CD2 LEU A 35 18.407 -4.641 -30.750 1.00 0.00 C ATOM 0 H LEU A 35 17.928 -0.103 -31.791 1.00 0.00 H new ATOM 0 HA LEU A 35 17.728 -2.150 -29.817 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.340 -2.282 -32.310 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.934 -1.706 -31.862 1.00 0.00 H new ATOM 0 HG LEU A 35 19.842 -4.137 -32.269 1.00 0.00 H new ATOM 0 HD11 LEU A 35 21.077 -4.941 -30.294 1.00 0.00 H new ATOM 0 HD12 LEU A 35 21.635 -3.350 -30.865 1.00 0.00 H new ATOM 0 HD13 LEU A 35 20.605 -3.466 -29.418 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.764 -5.661 -30.608 1.00 0.00 H new ATOM 0 HD22 LEU A 35 18.060 -4.242 -29.797 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.584 -4.641 -31.464 1.00 0.00 H new ATOM 552 N ILE A 36 20.468 -0.252 -29.685 1.00 0.00 N ATOM 553 CA ILE A 36 21.589 0.225 -28.838 1.00 0.00 C ATOM 554 C ILE A 36 21.049 0.986 -27.607 1.00 0.00 C ATOM 555 O ILE A 36 21.606 0.879 -26.513 1.00 0.00 O ATOM 556 CB ILE A 36 22.551 1.145 -29.676 1.00 0.00 C ATOM 557 CG1 ILE A 36 23.053 0.389 -30.943 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.754 1.659 -28.839 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.783 1.250 -31.956 1.00 0.00 C ATOM 0 H ILE A 36 20.482 0.128 -30.632 1.00 0.00 H new ATOM 0 HA ILE A 36 22.153 -0.639 -28.487 1.00 0.00 H new ATOM 0 HB ILE A 36 21.977 2.020 -29.982 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.716 -0.416 -30.628 1.00 0.00 H new ATOM 0 HG13 ILE A 36 22.198 -0.076 -31.433 1.00 0.00 H new ATOM 0 HG21 ILE A 36 24.388 2.289 -29.462 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.387 2.239 -27.992 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.333 0.810 -28.474 1.00 0.00 H new ATOM 0 HD11 ILE A 36 24.093 0.635 -32.801 1.00 0.00 H new ATOM 0 HD12 ILE A 36 23.120 2.041 -32.307 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.662 1.695 -31.489 1.00 0.00 H new ATOM 571 N THR A 37 19.922 1.701 -27.819 1.00 0.00 N ATOM 572 CA THR A 37 19.202 2.441 -26.773 1.00 0.00 C ATOM 573 C THR A 37 18.702 1.474 -25.680 1.00 0.00 C ATOM 574 O THR A 37 18.936 1.724 -24.497 1.00 0.00 O ATOM 575 CB THR A 37 18.013 3.257 -27.376 1.00 0.00 C ATOM 576 OG1 THR A 37 18.517 4.230 -28.310 1.00 0.00 O ATOM 577 CG2 THR A 37 17.172 3.970 -26.301 1.00 0.00 C ATOM 0 H THR A 37 19.485 1.778 -28.737 1.00 0.00 H new ATOM 0 HA THR A 37 19.895 3.150 -26.320 1.00 0.00 H new ATOM 0 HB THR A 37 17.360 2.544 -27.879 1.00 0.00 H new ATOM 0 HG1 THR A 37 18.942 3.770 -29.064 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.361 4.520 -26.779 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.755 3.232 -25.616 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.803 4.664 -25.746 1.00 0.00 H new ATOM 585 N TYR A 38 18.066 0.347 -26.100 1.00 0.00 N ATOM 586 CA TYR A 38 17.587 -0.708 -25.172 1.00 0.00 C ATOM 587 C TYR A 38 18.749 -1.178 -24.295 1.00 0.00 C ATOM 588 O TYR A 38 18.631 -1.239 -23.071 1.00 0.00 O ATOM 589 CB TYR A 38 16.988 -1.935 -25.939 1.00 0.00 C ATOM 590 CG TYR A 38 16.546 -3.113 -25.030 1.00 0.00 C ATOM 591 CD1 TYR A 38 17.421 -4.153 -24.679 1.00 0.00 C ATOM 592 CD2 TYR A 38 15.261 -3.176 -24.511 1.00 0.00 C ATOM 593 CE1 TYR A 38 17.029 -5.187 -23.849 1.00 0.00 C ATOM 594 CE2 TYR A 38 14.866 -4.215 -23.681 1.00 0.00 C ATOM 595 CZ TYR A 38 15.750 -5.214 -23.354 1.00 0.00 C ATOM 596 OH TYR A 38 15.353 -6.242 -22.526 1.00 0.00 O ATOM 0 H TYR A 38 17.874 0.148 -27.082 1.00 0.00 H new ATOM 0 HA TYR A 38 16.795 -0.278 -24.559 1.00 0.00 H new ATOM 0 HB2 TYR A 38 16.129 -1.599 -26.520 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.730 -2.300 -26.649 1.00 0.00 H new ATOM 0 HD1 TYR A 38 18.428 -4.145 -25.068 1.00 0.00 H new ATOM 0 HD2 TYR A 38 14.553 -2.399 -24.759 1.00 0.00 H new ATOM 0 HE1 TYR A 38 17.727 -5.970 -23.592 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.859 -4.238 -23.290 1.00 0.00 H new ATOM 0 HH TYR A 38 14.418 -6.109 -22.264 1.00 0.00 H new ATOM 606 N LEU A 39 19.877 -1.493 -24.945 1.00 0.00 N ATOM 607 CA LEU A 39 21.049 -2.065 -24.261 1.00 0.00 C ATOM 608 C LEU A 39 21.674 -1.067 -23.254 1.00 0.00 C ATOM 609 O LEU A 39 22.057 -1.467 -22.166 1.00 0.00 O ATOM 610 CB LEU A 39 22.097 -2.604 -25.286 1.00 0.00 C ATOM 611 CG LEU A 39 21.818 -4.046 -25.863 1.00 0.00 C ATOM 612 CD1 LEU A 39 20.521 -4.121 -26.684 1.00 0.00 C ATOM 613 CD2 LEU A 39 23.004 -4.566 -26.698 1.00 0.00 C ATOM 0 H LEU A 39 20.005 -1.361 -25.948 1.00 0.00 H new ATOM 0 HA LEU A 39 20.703 -2.918 -23.677 1.00 0.00 H new ATOM 0 HB2 LEU A 39 22.154 -1.905 -26.120 1.00 0.00 H new ATOM 0 HB3 LEU A 39 23.076 -2.609 -24.807 1.00 0.00 H new ATOM 0 HG LEU A 39 21.692 -4.691 -24.994 1.00 0.00 H new ATOM 0 HD11 LEU A 39 20.383 -5.137 -27.054 1.00 0.00 H new ATOM 0 HD12 LEU A 39 19.675 -3.847 -26.054 1.00 0.00 H new ATOM 0 HD13 LEU A 39 20.584 -3.433 -27.527 1.00 0.00 H new ATOM 0 HD21 LEU A 39 22.773 -5.561 -27.078 1.00 0.00 H new ATOM 0 HD22 LEU A 39 23.183 -3.891 -27.535 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.896 -4.614 -26.073 1.00 0.00 H new ATOM 625 N GLN A 40 21.760 0.235 -23.592 1.00 0.00 N ATOM 626 CA GLN A 40 22.341 1.246 -22.660 1.00 0.00 C ATOM 627 C GLN A 40 21.347 1.654 -21.557 1.00 0.00 C ATOM 628 O GLN A 40 21.754 2.191 -20.519 1.00 0.00 O ATOM 629 CB GLN A 40 22.946 2.460 -23.428 1.00 0.00 C ATOM 630 CG GLN A 40 21.991 3.210 -24.381 1.00 0.00 C ATOM 631 CD GLN A 40 22.699 3.918 -25.561 1.00 0.00 C ATOM 632 OE1 GLN A 40 23.787 3.328 -26.063 1.00 0.00 O flip ATOM 633 NE2 GLN A 40 22.244 4.957 -26.047 1.00 0.00 N flip ATOM 0 H GLN A 40 21.444 0.615 -24.484 1.00 0.00 H new ATOM 0 HA GLN A 40 23.176 0.773 -22.143 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.328 3.172 -22.696 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.800 2.108 -24.007 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.264 2.502 -24.780 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.433 3.951 -23.809 1.00 0.00 H new ATOM 0 HE21 GLN A 40 21.411 5.387 -25.644 1.00 0.00 H new ATOM 0 HE22 GLN A 40 22.700 5.386 -26.852 1.00 0.00 H new ATOM 642 N LYS A 41 20.049 1.382 -21.775 1.00 0.00 N ATOM 643 CA LYS A 41 19.006 1.584 -20.742 1.00 0.00 C ATOM 644 C LYS A 41 19.008 0.435 -19.700 1.00 0.00 C ATOM 645 O LYS A 41 19.080 0.681 -18.491 1.00 0.00 O ATOM 646 CB LYS A 41 17.593 1.711 -21.385 1.00 0.00 C ATOM 647 CG LYS A 41 17.349 3.036 -22.137 1.00 0.00 C ATOM 648 CD LYS A 41 15.927 3.146 -22.745 1.00 0.00 C ATOM 649 CE LYS A 41 14.804 3.055 -21.688 1.00 0.00 C ATOM 650 NZ LYS A 41 13.486 3.445 -22.244 1.00 0.00 N ATOM 0 H LYS A 41 19.691 1.020 -22.659 1.00 0.00 H new ATOM 0 HA LYS A 41 19.243 2.516 -20.229 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.447 0.882 -22.078 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.841 1.608 -20.603 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.509 3.869 -21.452 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.086 3.134 -22.934 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.839 4.093 -23.278 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.791 2.352 -23.480 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.749 2.036 -21.304 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.047 3.701 -20.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.729 3.090 -21.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.427 4.482 -22.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.376 3.037 -23.194 1.00 0.00 H new ATOM 664 N ASN A 42 18.936 -0.818 -20.188 1.00 0.00 N ATOM 665 CA ASN A 42 18.677 -2.004 -19.334 1.00 0.00 C ATOM 666 C ASN A 42 19.968 -2.687 -18.852 1.00 0.00 C ATOM 667 O ASN A 42 20.013 -3.186 -17.723 1.00 0.00 O ATOM 668 CB ASN A 42 17.761 -3.013 -20.080 1.00 0.00 C ATOM 669 CG ASN A 42 16.408 -2.393 -20.434 1.00 0.00 C ATOM 670 OD1 ASN A 42 15.518 -2.315 -19.598 1.00 0.00 O ATOM 671 ND2 ASN A 42 16.237 -1.954 -21.669 1.00 0.00 N ATOM 0 H ASN A 42 19.054 -1.041 -21.176 1.00 0.00 H new ATOM 0 HA ASN A 42 18.166 -1.649 -18.439 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.256 -3.350 -20.991 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.606 -3.894 -19.457 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.347 -1.538 -21.944 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.995 -2.031 -22.347 1.00 0.00 H new ATOM 678 N ALA A 43 21.010 -2.721 -19.704 1.00 0.00 N ATOM 679 CA ALA A 43 22.315 -3.308 -19.327 1.00 0.00 C ATOM 680 C ALA A 43 23.168 -2.274 -18.575 1.00 0.00 C ATOM 681 O ALA A 43 22.984 -1.060 -18.748 1.00 0.00 O ATOM 682 CB ALA A 43 23.070 -3.836 -20.565 1.00 0.00 C ATOM 0 H ALA A 43 20.977 -2.351 -20.654 1.00 0.00 H new ATOM 0 HA ALA A 43 22.126 -4.154 -18.666 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.025 -4.261 -20.255 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.473 -4.605 -21.055 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.247 -3.016 -21.261 1.00 0.00 H new ATOM 688 N ASP A 44 24.084 -2.777 -17.732 1.00 0.00 N ATOM 689 CA ASP A 44 25.062 -1.953 -16.999 1.00 0.00 C ATOM 690 C ASP A 44 26.123 -1.429 -17.978 1.00 0.00 C ATOM 691 O ASP A 44 26.372 -2.058 -19.013 1.00 0.00 O ATOM 692 CB ASP A 44 25.738 -2.781 -15.870 1.00 0.00 C ATOM 693 CG ASP A 44 24.734 -3.474 -14.927 1.00 0.00 C ATOM 694 OD1 ASP A 44 24.123 -4.486 -15.349 1.00 0.00 O ATOM 695 OD2 ASP A 44 24.550 -3.025 -13.771 1.00 0.00 O ATOM 0 H ASP A 44 24.168 -3.775 -17.538 1.00 0.00 H new ATOM 0 HA ASP A 44 24.543 -1.111 -16.541 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.381 -3.537 -16.321 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.380 -2.124 -15.284 1.00 0.00 H new ATOM 700 N ALA A 45 26.769 -0.303 -17.620 1.00 0.00 N ATOM 701 CA ALA A 45 27.684 0.443 -18.524 1.00 0.00 C ATOM 702 C ALA A 45 28.838 -0.442 -19.047 1.00 0.00 C ATOM 703 O ALA A 45 29.330 -0.221 -20.153 1.00 0.00 O ATOM 704 CB ALA A 45 28.225 1.704 -17.828 1.00 0.00 C ATOM 0 H ALA A 45 26.675 0.120 -16.697 1.00 0.00 H new ATOM 0 HA ALA A 45 27.102 0.750 -19.393 1.00 0.00 H new ATOM 0 HB1 ALA A 45 28.893 2.236 -18.506 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.394 2.353 -17.554 1.00 0.00 H new ATOM 0 HB3 ALA A 45 28.773 1.417 -16.930 1.00 0.00 H new ATOM 710 N ALA A 46 29.214 -1.460 -18.245 1.00 0.00 N ATOM 711 CA ALA A 46 30.259 -2.452 -18.594 1.00 0.00 C ATOM 712 C ALA A 46 29.956 -3.173 -19.929 1.00 0.00 C ATOM 713 O ALA A 46 30.848 -3.354 -20.765 1.00 0.00 O ATOM 714 CB ALA A 46 30.391 -3.479 -17.460 1.00 0.00 C ATOM 0 H ALA A 46 28.798 -1.620 -17.327 1.00 0.00 H new ATOM 0 HA ALA A 46 31.199 -1.915 -18.722 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.159 -4.208 -17.717 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.669 -2.969 -16.538 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.439 -3.990 -17.319 1.00 0.00 H new ATOM 720 N PHE A 47 28.680 -3.555 -20.111 1.00 0.00 N ATOM 721 CA PHE A 47 28.212 -4.299 -21.299 1.00 0.00 C ATOM 722 C PHE A 47 28.354 -3.432 -22.567 1.00 0.00 C ATOM 723 O PHE A 47 28.730 -3.924 -23.643 1.00 0.00 O ATOM 724 CB PHE A 47 26.737 -4.738 -21.090 1.00 0.00 C ATOM 725 CG PHE A 47 26.231 -5.767 -22.099 1.00 0.00 C ATOM 726 CD1 PHE A 47 26.502 -7.123 -21.916 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.488 -5.392 -23.223 1.00 0.00 C ATOM 728 CE1 PHE A 47 26.058 -8.066 -22.821 1.00 0.00 C ATOM 729 CE2 PHE A 47 25.047 -6.340 -24.129 1.00 0.00 C ATOM 730 CZ PHE A 47 25.329 -7.676 -23.925 1.00 0.00 C ATOM 0 H PHE A 47 27.940 -3.357 -19.438 1.00 0.00 H new ATOM 0 HA PHE A 47 28.827 -5.189 -21.431 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.633 -5.151 -20.087 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.099 -3.856 -21.139 1.00 0.00 H new ATOM 0 HD1 PHE A 47 27.068 -7.440 -21.053 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.256 -4.350 -23.386 1.00 0.00 H new ATOM 0 HE1 PHE A 47 26.282 -9.111 -22.664 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.481 -6.035 -24.997 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.979 -8.416 -24.630 1.00 0.00 H new ATOM 740 N LEU A 48 28.071 -2.132 -22.413 1.00 0.00 N ATOM 741 CA LEU A 48 28.190 -1.152 -23.503 1.00 0.00 C ATOM 742 C LEU A 48 29.672 -0.862 -23.799 1.00 0.00 C ATOM 743 O LEU A 48 30.048 -0.593 -24.934 1.00 0.00 O ATOM 744 CB LEU A 48 27.422 0.156 -23.157 1.00 0.00 C ATOM 745 CG LEU A 48 25.876 0.034 -22.924 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.207 -0.886 -23.959 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.529 -0.398 -21.489 1.00 0.00 C ATOM 0 H LEU A 48 27.754 -1.729 -21.531 1.00 0.00 H new ATOM 0 HA LEU A 48 27.738 -1.574 -24.400 1.00 0.00 H new ATOM 0 HB2 LEU A 48 27.867 0.582 -22.258 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.588 0.870 -23.964 1.00 0.00 H new ATOM 0 HG LEU A 48 25.469 1.036 -23.063 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.137 -0.941 -23.759 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.369 -0.486 -24.960 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.640 -1.884 -23.893 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.447 -0.467 -21.382 1.00 0.00 H new ATOM 0 HD22 LEU A 48 25.977 -1.370 -21.283 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.917 0.337 -20.784 1.00 0.00 H new ATOM 759 N ARG A 49 30.506 -0.930 -22.759 1.00 0.00 N ATOM 760 CA ARG A 49 31.973 -0.800 -22.891 1.00 0.00 C ATOM 761 C ARG A 49 32.579 -2.045 -23.560 1.00 0.00 C ATOM 762 O ARG A 49 33.669 -1.973 -24.126 1.00 0.00 O ATOM 763 CB ARG A 49 32.621 -0.573 -21.505 1.00 0.00 C ATOM 764 CG ARG A 49 32.265 0.779 -20.855 1.00 0.00 C ATOM 765 CD ARG A 49 32.812 0.910 -19.424 1.00 0.00 C ATOM 766 NE ARG A 49 34.282 0.754 -19.376 1.00 0.00 N ATOM 767 CZ ARG A 49 35.012 0.586 -18.257 1.00 0.00 C ATOM 768 NH1 ARG A 49 34.433 0.557 -17.063 1.00 0.00 N ATOM 769 NH2 ARG A 49 36.326 0.433 -18.344 1.00 0.00 N ATOM 0 H ARG A 49 30.192 -1.076 -21.800 1.00 0.00 H new ATOM 0 HA ARG A 49 32.179 0.063 -23.524 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.313 -1.377 -20.836 1.00 0.00 H new ATOM 0 HB3 ARG A 49 33.704 -0.640 -21.607 1.00 0.00 H new ATOM 0 HG2 ARG A 49 32.663 1.588 -21.467 1.00 0.00 H new ATOM 0 HG3 ARG A 49 31.181 0.895 -20.838 1.00 0.00 H new ATOM 0 HD2 ARG A 49 32.537 1.884 -19.019 1.00 0.00 H new ATOM 0 HD3 ARG A 49 32.347 0.157 -18.788 1.00 0.00 H new ATOM 0 HE ARG A 49 34.784 0.775 -20.264 1.00 0.00 H new ATOM 0 HH11 ARG A 49 33.422 0.663 -16.984 1.00 0.00 H new ATOM 0 HH12 ARG A 49 34.999 0.429 -16.224 1.00 0.00 H new ATOM 0 HH21 ARG A 49 36.781 0.443 -19.257 1.00 0.00 H new ATOM 0 HH22 ARG A 49 36.882 0.306 -17.498 1.00 0.00 H new ATOM 783 N HIS A 50 31.875 -3.184 -23.458 1.00 0.00 N ATOM 784 CA HIS A 50 32.282 -4.441 -24.106 1.00 0.00 C ATOM 785 C HIS A 50 31.989 -4.395 -25.622 1.00 0.00 C ATOM 786 O HIS A 50 32.869 -4.686 -26.440 1.00 0.00 O ATOM 787 CB HIS A 50 31.562 -5.644 -23.439 1.00 0.00 C ATOM 788 CG HIS A 50 31.954 -6.980 -24.006 1.00 0.00 C ATOM 789 ND1 HIS A 50 31.098 -7.777 -24.731 1.00 0.00 N ATOM 790 CD2 HIS A 50 33.132 -7.643 -23.968 1.00 0.00 C ATOM 791 CE1 HIS A 50 31.731 -8.867 -25.118 1.00 0.00 C ATOM 792 NE2 HIS A 50 32.967 -8.809 -24.670 1.00 0.00 N ATOM 0 H HIS A 50 31.009 -3.259 -22.925 1.00 0.00 H new ATOM 0 HA HIS A 50 33.357 -4.567 -23.977 1.00 0.00 H new ATOM 0 HB2 HIS A 50 31.777 -5.637 -22.371 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.485 -5.516 -23.548 1.00 0.00 H new ATOM 0 HD1 HIS A 50 30.123 -7.558 -24.937 1.00 0.00 H new ATOM 0 HD2 HIS A 50 34.036 -7.315 -23.476 1.00 0.00 H new ATOM 0 HE1 HIS A 50 31.307 -9.670 -25.703 1.00 0.00 H new ATOM 801 N TRP A 51 30.751 -4.010 -25.985 1.00 0.00 N ATOM 802 CA TRP A 51 30.281 -4.024 -27.395 1.00 0.00 C ATOM 803 C TRP A 51 30.462 -2.657 -28.104 1.00 0.00 C ATOM 804 O TRP A 51 29.958 -2.471 -29.217 1.00 0.00 O ATOM 805 CB TRP A 51 28.797 -4.491 -27.441 1.00 0.00 C ATOM 806 CG TRP A 51 28.607 -5.920 -26.986 1.00 0.00 C ATOM 807 CD1 TRP A 51 28.183 -6.357 -25.762 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.852 -7.100 -27.765 1.00 0.00 C ATOM 809 NE1 TRP A 51 28.157 -7.729 -25.735 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.567 -8.205 -26.950 1.00 0.00 C ATOM 811 CE3 TRP A 51 29.297 -7.323 -29.073 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.696 -9.511 -27.404 1.00 0.00 C ATOM 813 CZ3 TRP A 51 29.423 -8.625 -29.520 1.00 0.00 C ATOM 814 CH2 TRP A 51 29.133 -9.706 -28.684 1.00 0.00 C ATOM 0 H TRP A 51 30.050 -3.682 -25.321 1.00 0.00 H new ATOM 0 HA TRP A 51 30.902 -4.730 -27.946 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.197 -3.834 -26.812 1.00 0.00 H new ATOM 0 HB3 TRP A 51 28.422 -4.388 -28.459 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.909 -5.716 -24.937 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.877 -8.301 -24.938 1.00 0.00 H new ATOM 0 HE3 TRP A 51 29.538 -6.493 -29.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 28.458 -10.348 -26.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.751 -8.810 -30.532 1.00 0.00 H new ATOM 0 HH2 TRP A 51 29.256 -10.713 -29.055 1.00 0.00 H new ATOM 825 N LYS A 52 31.180 -1.718 -27.439 1.00 0.00 N ATOM 826 CA LYS A 52 31.532 -0.366 -27.978 1.00 0.00 C ATOM 827 C LYS A 52 30.282 0.540 -28.124 1.00 0.00 C ATOM 828 O LYS A 52 30.310 1.548 -28.837 1.00 0.00 O ATOM 829 CB LYS A 52 32.315 -0.448 -29.335 1.00 0.00 C ATOM 830 CG LYS A 52 33.619 -1.296 -29.333 1.00 0.00 C ATOM 831 CD LYS A 52 34.741 -0.785 -28.373 1.00 0.00 C ATOM 832 CE LYS A 52 34.720 -1.471 -26.986 1.00 0.00 C ATOM 833 NZ LYS A 52 35.824 -1.008 -26.107 1.00 0.00 N ATOM 0 H LYS A 52 31.540 -1.874 -26.497 1.00 0.00 H new ATOM 0 HA LYS A 52 32.197 0.089 -27.243 1.00 0.00 H new ATOM 0 HB2 LYS A 52 31.644 -0.855 -30.092 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.568 0.566 -29.645 1.00 0.00 H new ATOM 0 HG2 LYS A 52 33.367 -2.321 -29.059 1.00 0.00 H new ATOM 0 HG3 LYS A 52 34.016 -1.326 -30.348 1.00 0.00 H new ATOM 0 HD2 LYS A 52 35.712 -0.953 -28.839 1.00 0.00 H new ATOM 0 HD3 LYS A 52 34.633 0.291 -28.240 1.00 0.00 H new ATOM 0 HE2 LYS A 52 33.765 -1.272 -26.500 1.00 0.00 H new ATOM 0 HE3 LYS A 52 34.792 -2.551 -27.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 35.553 -1.138 -25.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 36.682 -1.560 -26.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 36.011 -0.001 -26.286 1.00 0.00 H new ATOM 847 N LEU A 53 29.211 0.191 -27.389 1.00 0.00 N ATOM 848 CA LEU A 53 27.930 0.925 -27.400 1.00 0.00 C ATOM 849 C LEU A 53 27.912 2.063 -26.336 1.00 0.00 C ATOM 850 O LEU A 53 26.898 2.759 -26.180 1.00 0.00 O ATOM 851 CB LEU A 53 26.770 -0.062 -27.127 1.00 0.00 C ATOM 852 CG LEU A 53 26.782 -1.416 -27.901 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.624 -2.305 -27.444 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.759 -1.230 -29.431 1.00 0.00 C ATOM 0 H LEU A 53 29.209 -0.616 -26.765 1.00 0.00 H new ATOM 0 HA LEU A 53 27.809 1.383 -28.382 1.00 0.00 H new ATOM 0 HB2 LEU A 53 26.761 -0.284 -26.060 1.00 0.00 H new ATOM 0 HB3 LEU A 53 25.834 0.448 -27.354 1.00 0.00 H new ATOM 0 HG LEU A 53 27.724 -1.909 -27.662 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.648 -3.245 -27.995 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.719 -2.507 -26.377 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.678 -1.797 -27.634 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.769 -2.206 -29.916 1.00 0.00 H new ATOM 0 HD22 LEU A 53 25.856 -0.691 -29.718 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.636 -0.662 -29.742 1.00 0.00 H new ATOM 866 N THR A 54 29.034 2.220 -25.593 1.00 0.00 N ATOM 867 CA THR A 54 29.178 3.226 -24.515 1.00 0.00 C ATOM 868 C THR A 54 29.375 4.672 -25.055 1.00 0.00 C ATOM 869 O THR A 54 29.265 5.644 -24.286 1.00 0.00 O ATOM 870 CB THR A 54 30.368 2.824 -23.566 1.00 0.00 C ATOM 871 OG1 THR A 54 30.469 3.726 -22.449 1.00 0.00 O ATOM 872 CG2 THR A 54 31.716 2.770 -24.315 1.00 0.00 C ATOM 0 H THR A 54 29.869 1.649 -25.726 1.00 0.00 H new ATOM 0 HA THR A 54 28.244 3.232 -23.954 1.00 0.00 H new ATOM 0 HB THR A 54 30.146 1.823 -23.197 1.00 0.00 H new ATOM 0 HG1 THR A 54 30.087 4.595 -22.694 1.00 0.00 H new ATOM 0 HG21 THR A 54 32.507 2.489 -23.620 1.00 0.00 H new ATOM 0 HG22 THR A 54 31.658 2.033 -25.116 1.00 0.00 H new ATOM 0 HG23 THR A 54 31.936 3.750 -24.738 1.00 0.00 H new ATOM 880 N GLY A 55 29.658 4.806 -26.371 1.00 0.00 N ATOM 881 CA GLY A 55 29.916 6.119 -26.996 1.00 0.00 C ATOM 882 C GLY A 55 28.638 6.828 -27.460 1.00 0.00 C ATOM 883 O GLY A 55 27.562 6.612 -26.886 1.00 0.00 O ATOM 0 H GLY A 55 29.713 4.020 -27.018 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.440 6.757 -26.284 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.579 5.984 -27.850 1.00 0.00 H new ATOM 887 N THR A 56 28.752 7.673 -28.509 1.00 0.00 N ATOM 888 CA THR A 56 27.593 8.352 -29.126 1.00 0.00 C ATOM 889 C THR A 56 26.867 7.389 -30.088 1.00 0.00 C ATOM 890 O THR A 56 27.473 6.885 -31.045 1.00 0.00 O ATOM 891 CB THR A 56 27.996 9.682 -29.870 1.00 0.00 C ATOM 892 OG1 THR A 56 26.889 10.187 -30.639 1.00 0.00 O ATOM 893 CG2 THR A 56 29.220 9.512 -30.782 1.00 0.00 C ATOM 0 H THR A 56 29.644 7.902 -28.948 1.00 0.00 H new ATOM 0 HA THR A 56 26.917 8.637 -28.320 1.00 0.00 H new ATOM 0 HB THR A 56 28.266 10.397 -29.093 1.00 0.00 H new ATOM 0 HG1 THR A 56 27.156 11.013 -31.093 1.00 0.00 H new ATOM 0 HG21 THR A 56 29.448 10.462 -31.266 1.00 0.00 H new ATOM 0 HG22 THR A 56 30.076 9.194 -30.187 1.00 0.00 H new ATOM 0 HG23 THR A 56 29.006 8.760 -31.541 1.00 0.00 H new ATOM 901 N ASN A 57 25.553 7.166 -29.826 1.00 0.00 N ATOM 902 CA ASN A 57 24.727 6.125 -30.501 1.00 0.00 C ATOM 903 C ASN A 57 24.745 6.276 -32.041 1.00 0.00 C ATOM 904 O ASN A 57 24.682 5.284 -32.757 1.00 0.00 O ATOM 905 CB ASN A 57 23.271 6.157 -29.936 1.00 0.00 C ATOM 906 CG ASN A 57 22.394 4.933 -30.294 1.00 0.00 C ATOM 907 OD1 ASN A 57 22.469 4.369 -31.382 1.00 0.00 O ATOM 908 ND2 ASN A 57 21.563 4.500 -29.350 1.00 0.00 N ATOM 0 H ASN A 57 25.031 7.706 -29.136 1.00 0.00 H new ATOM 0 HA ASN A 57 25.164 5.150 -30.285 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.322 6.241 -28.850 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.777 7.057 -30.302 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.974 3.686 -29.524 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.515 4.982 -28.452 1.00 0.00 H new ATOM 915 N LYS A 58 24.892 7.522 -32.520 1.00 0.00 N ATOM 916 CA LYS A 58 24.951 7.845 -33.965 1.00 0.00 C ATOM 917 C LYS A 58 26.155 7.151 -34.650 1.00 0.00 C ATOM 918 O LYS A 58 25.988 6.390 -35.625 1.00 0.00 O ATOM 919 CB LYS A 58 25.021 9.386 -34.142 1.00 0.00 C ATOM 920 CG LYS A 58 24.962 9.877 -35.609 1.00 0.00 C ATOM 921 CD LYS A 58 24.829 11.415 -35.737 1.00 0.00 C ATOM 922 CE LYS A 58 25.985 12.198 -35.084 1.00 0.00 C ATOM 923 NZ LYS A 58 25.833 13.665 -35.274 1.00 0.00 N ATOM 0 H LYS A 58 24.974 8.341 -31.918 1.00 0.00 H new ATOM 0 HA LYS A 58 24.049 7.469 -34.448 1.00 0.00 H new ATOM 0 HB2 LYS A 58 24.198 9.838 -33.589 1.00 0.00 H new ATOM 0 HB3 LYS A 58 25.945 9.747 -33.690 1.00 0.00 H new ATOM 0 HG2 LYS A 58 25.863 9.553 -36.130 1.00 0.00 H new ATOM 0 HG3 LYS A 58 24.117 9.404 -36.109 1.00 0.00 H new ATOM 0 HD2 LYS A 58 24.776 11.679 -36.793 1.00 0.00 H new ATOM 0 HD3 LYS A 58 23.889 11.728 -35.283 1.00 0.00 H new ATOM 0 HE2 LYS A 58 26.022 11.971 -34.019 1.00 0.00 H new ATOM 0 HE3 LYS A 58 26.933 11.872 -35.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 26.629 14.158 -34.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 25.823 13.884 -36.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 24.940 13.980 -34.843 1.00 0.00 H new ATOM 937 N SER A 59 27.357 7.384 -34.087 1.00 0.00 N ATOM 938 CA SER A 59 28.614 6.808 -34.605 1.00 0.00 C ATOM 939 C SER A 59 28.625 5.277 -34.455 1.00 0.00 C ATOM 940 O SER A 59 29.157 4.567 -35.312 1.00 0.00 O ATOM 941 CB SER A 59 29.820 7.420 -33.865 1.00 0.00 C ATOM 942 OG SER A 59 29.811 8.834 -33.963 1.00 0.00 O ATOM 0 H SER A 59 27.484 7.974 -33.264 1.00 0.00 H new ATOM 0 HA SER A 59 28.685 7.046 -35.666 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.796 7.124 -32.816 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.746 7.028 -34.285 1.00 0.00 H new ATOM 0 HG SER A 59 30.584 9.200 -33.485 1.00 0.00 H new ATOM 948 N ILE A 60 28.004 4.790 -33.369 1.00 0.00 N ATOM 949 CA ILE A 60 27.944 3.357 -33.054 1.00 0.00 C ATOM 950 C ILE A 60 27.088 2.605 -34.088 1.00 0.00 C ATOM 951 O ILE A 60 27.548 1.641 -34.648 1.00 0.00 O ATOM 952 CB ILE A 60 27.374 3.111 -31.621 1.00 0.00 C ATOM 953 CG1 ILE A 60 28.212 3.870 -30.551 1.00 0.00 C ATOM 954 CG2 ILE A 60 27.332 1.601 -31.296 1.00 0.00 C ATOM 955 CD1 ILE A 60 27.536 3.972 -29.203 1.00 0.00 C ATOM 0 H ILE A 60 27.530 5.380 -32.686 1.00 0.00 H new ATOM 0 HA ILE A 60 28.964 2.975 -33.090 1.00 0.00 H new ATOM 0 HB ILE A 60 26.355 3.497 -31.598 1.00 0.00 H new ATOM 0 HG12 ILE A 60 29.170 3.365 -30.429 1.00 0.00 H new ATOM 0 HG13 ILE A 60 28.426 4.874 -30.916 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.931 1.456 -30.293 1.00 0.00 H new ATOM 0 HG22 ILE A 60 26.695 1.091 -32.019 1.00 0.00 H new ATOM 0 HG23 ILE A 60 28.340 1.190 -31.347 1.00 0.00 H new ATOM 0 HD11 ILE A 60 28.182 4.514 -28.512 1.00 0.00 H new ATOM 0 HD12 ILE A 60 26.591 4.504 -29.309 1.00 0.00 H new ATOM 0 HD13 ILE A 60 27.347 2.971 -28.814 1.00 0.00 H new ATOM 967 N ARG A 61 25.848 3.063 -34.347 1.00 0.00 N ATOM 968 CA ARG A 61 24.952 2.394 -35.328 1.00 0.00 C ATOM 969 C ARG A 61 25.490 2.547 -36.766 1.00 0.00 C ATOM 970 O ARG A 61 25.129 1.767 -37.658 1.00 0.00 O ATOM 971 CB ARG A 61 23.496 2.917 -35.219 1.00 0.00 C ATOM 972 CG ARG A 61 23.303 4.412 -35.539 1.00 0.00 C ATOM 973 CD ARG A 61 21.838 4.841 -35.415 1.00 0.00 C ATOM 974 NE ARG A 61 21.638 6.273 -35.710 1.00 0.00 N ATOM 975 CZ ARG A 61 20.681 6.773 -36.508 1.00 0.00 C ATOM 976 NH1 ARG A 61 19.895 5.980 -37.216 1.00 0.00 N ATOM 977 NH2 ARG A 61 20.525 8.077 -36.609 1.00 0.00 N ATOM 0 H ARG A 61 25.441 3.884 -33.899 1.00 0.00 H new ATOM 0 HA ARG A 61 24.937 1.331 -35.086 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.868 2.335 -35.893 1.00 0.00 H new ATOM 0 HB3 ARG A 61 23.136 2.730 -34.207 1.00 0.00 H new ATOM 0 HG2 ARG A 61 23.914 5.009 -34.862 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.656 4.615 -36.550 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.230 4.245 -36.096 1.00 0.00 H new ATOM 0 HD3 ARG A 61 21.486 4.629 -34.405 1.00 0.00 H new ATOM 0 HE ARG A 61 22.278 6.936 -35.273 1.00 0.00 H new ATOM 0 HH11 ARG A 61 20.010 4.968 -37.162 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.174 6.380 -37.816 1.00 0.00 H new ATOM 0 HH21 ARG A 61 21.131 8.705 -36.081 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.798 8.458 -37.215 1.00 0.00 H new ATOM 991 N LYS A 62 26.342 3.569 -36.976 1.00 0.00 N ATOM 992 CA LYS A 62 27.048 3.786 -38.248 1.00 0.00 C ATOM 993 C LYS A 62 28.097 2.674 -38.520 1.00 0.00 C ATOM 994 O LYS A 62 28.099 2.066 -39.599 1.00 0.00 O ATOM 995 CB LYS A 62 27.708 5.189 -38.224 1.00 0.00 C ATOM 996 CG LYS A 62 28.475 5.594 -39.501 1.00 0.00 C ATOM 997 CD LYS A 62 29.078 7.022 -39.412 1.00 0.00 C ATOM 998 CE LYS A 62 28.006 8.114 -39.221 1.00 0.00 C ATOM 999 NZ LYS A 62 27.013 8.127 -40.329 1.00 0.00 N ATOM 0 H LYS A 62 26.559 4.267 -36.265 1.00 0.00 H new ATOM 0 HA LYS A 62 26.328 3.738 -39.065 1.00 0.00 H new ATOM 0 HB2 LYS A 62 26.932 5.931 -38.039 1.00 0.00 H new ATOM 0 HB3 LYS A 62 28.397 5.231 -37.381 1.00 0.00 H new ATOM 0 HG2 LYS A 62 29.276 4.877 -39.681 1.00 0.00 H new ATOM 0 HG3 LYS A 62 27.801 5.541 -40.356 1.00 0.00 H new ATOM 0 HD2 LYS A 62 29.783 7.062 -38.582 1.00 0.00 H new ATOM 0 HD3 LYS A 62 29.643 7.230 -40.320 1.00 0.00 H new ATOM 0 HE2 LYS A 62 27.490 7.952 -38.275 1.00 0.00 H new ATOM 0 HE3 LYS A 62 28.490 9.089 -39.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 26.373 8.939 -40.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 27.510 8.205 -41.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 26.461 7.246 -40.311 1.00 0.00 H new ATOM 1013 N ASN A 63 28.974 2.417 -37.530 1.00 0.00 N ATOM 1014 CA ASN A 63 30.060 1.409 -37.651 1.00 0.00 C ATOM 1015 C ASN A 63 29.529 -0.006 -37.353 1.00 0.00 C ATOM 1016 O ASN A 63 29.720 -0.948 -38.135 1.00 0.00 O ATOM 1017 CB ASN A 63 31.236 1.752 -36.686 1.00 0.00 C ATOM 1018 CG ASN A 63 31.995 3.021 -37.078 1.00 0.00 C ATOM 1019 OD1 ASN A 63 32.854 2.994 -37.960 1.00 0.00 O ATOM 1020 ND2 ASN A 63 31.726 4.127 -36.398 1.00 0.00 N ATOM 0 H ASN A 63 28.955 2.895 -36.629 1.00 0.00 H new ATOM 0 HA ASN A 63 30.428 1.433 -38.677 1.00 0.00 H new ATOM 0 HB2 ASN A 63 30.844 1.870 -35.676 1.00 0.00 H new ATOM 0 HB3 ASN A 63 31.933 0.914 -36.662 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.236 4.987 -36.600 1.00 0.00 H new ATOM 0 HD22 ASN A 63 31.009 4.118 -35.673 1.00 0.00 H new ATOM 1027 N ARG A 64 28.881 -0.123 -36.198 1.00 0.00 N ATOM 1028 CA ARG A 64 28.258 -1.367 -35.719 1.00 0.00 C ATOM 1029 C ARG A 64 26.834 -1.431 -36.279 1.00 0.00 C ATOM 1030 O ARG A 64 25.908 -0.823 -35.730 1.00 0.00 O ATOM 1031 CB ARG A 64 28.226 -1.419 -34.156 1.00 0.00 C ATOM 1032 CG ARG A 64 29.567 -1.105 -33.456 1.00 0.00 C ATOM 1033 CD ARG A 64 30.719 -2.034 -33.885 1.00 0.00 C ATOM 1034 NE ARG A 64 31.991 -1.675 -33.225 1.00 0.00 N ATOM 1035 CZ ARG A 64 33.046 -2.492 -33.065 1.00 0.00 C ATOM 1036 NH1 ARG A 64 32.984 -3.779 -33.391 1.00 0.00 N ATOM 1037 NH2 ARG A 64 34.160 -2.015 -32.537 1.00 0.00 N ATOM 0 H ARG A 64 28.768 0.657 -35.550 1.00 0.00 H new ATOM 0 HA ARG A 64 28.842 -2.221 -36.061 1.00 0.00 H new ATOM 0 HB2 ARG A 64 27.476 -0.712 -33.801 1.00 0.00 H new ATOM 0 HB3 ARG A 64 27.899 -2.412 -33.849 1.00 0.00 H new ATOM 0 HG2 ARG A 64 29.845 -0.073 -33.669 1.00 0.00 H new ATOM 0 HG3 ARG A 64 29.431 -1.183 -32.377 1.00 0.00 H new ATOM 0 HD2 ARG A 64 30.463 -3.065 -33.643 1.00 0.00 H new ATOM 0 HD3 ARG A 64 30.844 -1.982 -34.967 1.00 0.00 H new ATOM 0 HE ARG A 64 32.076 -0.726 -32.860 1.00 0.00 H new ATOM 0 HH11 ARG A 64 32.121 -4.168 -33.772 1.00 0.00 H new ATOM 0 HH12 ARG A 64 33.799 -4.378 -33.260 1.00 0.00 H new ATOM 0 HH21 ARG A 64 34.213 -1.036 -32.256 1.00 0.00 H new ATOM 0 HH22 ARG A 64 34.967 -2.626 -32.411 1.00 0.00 H new ATOM 1051 N ASN A 65 26.678 -2.143 -37.395 1.00 0.00 N ATOM 1052 CA ASN A 65 25.382 -2.301 -38.076 1.00 0.00 C ATOM 1053 C ASN A 65 24.650 -3.539 -37.524 1.00 0.00 C ATOM 1054 O ASN A 65 25.015 -4.033 -36.449 1.00 0.00 O ATOM 1055 CB ASN A 65 25.618 -2.370 -39.608 1.00 0.00 C ATOM 1056 CG ASN A 65 26.171 -1.060 -40.182 1.00 0.00 C ATOM 1057 OD1 ASN A 65 25.420 -0.205 -40.643 1.00 0.00 O ATOM 1058 ND2 ASN A 65 27.483 -0.889 -40.131 1.00 0.00 N ATOM 0 H ASN A 65 27.446 -2.630 -37.858 1.00 0.00 H new ATOM 0 HA ASN A 65 24.737 -1.444 -37.883 1.00 0.00 H new ATOM 0 HB2 ASN A 65 26.313 -3.180 -39.828 1.00 0.00 H new ATOM 0 HB3 ASN A 65 24.679 -2.612 -40.105 1.00 0.00 H new ATOM 0 HD21 ASN A 65 27.899 -0.026 -40.481 1.00 0.00 H new ATOM 0 HD22 ASN A 65 28.078 -1.620 -39.741 1.00 0.00 H new ATOM 1065 N CYS A 66 23.630 -4.026 -38.266 1.00 0.00 N ATOM 1066 CA CYS A 66 22.689 -5.067 -37.803 1.00 0.00 C ATOM 1067 C CYS A 66 23.384 -6.270 -37.115 1.00 0.00 C ATOM 1068 O CYS A 66 23.160 -6.485 -35.930 1.00 0.00 O ATOM 1069 CB CYS A 66 21.818 -5.539 -38.990 1.00 0.00 C ATOM 1070 SG CYS A 66 22.769 -6.117 -40.414 1.00 0.00 S ATOM 0 H CYS A 66 23.436 -3.702 -39.214 1.00 0.00 H new ATOM 0 HA CYS A 66 22.061 -4.614 -37.036 1.00 0.00 H new ATOM 0 HB2 CYS A 66 21.165 -6.343 -38.651 1.00 0.00 H new ATOM 0 HB3 CYS A 66 21.175 -4.717 -39.305 1.00 0.00 H new ATOM 0 HG CYS A 66 21.955 -6.493 -41.355 1.00 0.00 H new ATOM 1076 N SER A 67 24.285 -6.963 -37.844 1.00 0.00 N ATOM 1077 CA SER A 67 24.929 -8.238 -37.397 1.00 0.00 C ATOM 1078 C SER A 67 25.556 -8.139 -35.989 1.00 0.00 C ATOM 1079 O SER A 67 25.374 -9.033 -35.148 1.00 0.00 O ATOM 1080 CB SER A 67 26.015 -8.658 -38.408 1.00 0.00 C ATOM 1081 OG SER A 67 25.520 -8.617 -39.737 1.00 0.00 O ATOM 0 H SER A 67 24.595 -6.659 -38.767 1.00 0.00 H new ATOM 0 HA SER A 67 24.138 -8.987 -37.347 1.00 0.00 H new ATOM 0 HB2 SER A 67 26.876 -7.996 -38.317 1.00 0.00 H new ATOM 0 HB3 SER A 67 26.361 -9.665 -38.177 1.00 0.00 H new ATOM 0 HG SER A 67 26.228 -8.886 -40.358 1.00 0.00 H new ATOM 1087 N GLN A 68 26.269 -7.025 -35.755 1.00 0.00 N ATOM 1088 CA GLN A 68 26.956 -6.746 -34.478 1.00 0.00 C ATOM 1089 C GLN A 68 25.933 -6.594 -33.335 1.00 0.00 C ATOM 1090 O GLN A 68 26.115 -7.129 -32.233 1.00 0.00 O ATOM 1091 CB GLN A 68 27.800 -5.447 -34.599 1.00 0.00 C ATOM 1092 CG GLN A 68 28.605 -5.079 -33.334 1.00 0.00 C ATOM 1093 CD GLN A 68 29.761 -6.039 -33.051 1.00 0.00 C ATOM 1094 OE1 GLN A 68 30.884 -5.826 -33.509 1.00 0.00 O ATOM 1095 NE2 GLN A 68 29.490 -7.104 -32.310 1.00 0.00 N ATOM 0 H GLN A 68 26.387 -6.287 -36.449 1.00 0.00 H new ATOM 0 HA GLN A 68 27.615 -7.585 -34.252 1.00 0.00 H new ATOM 0 HB2 GLN A 68 28.492 -5.556 -35.434 1.00 0.00 H new ATOM 0 HB3 GLN A 68 27.134 -4.619 -34.843 1.00 0.00 H new ATOM 0 HG2 GLN A 68 29.000 -4.069 -33.444 1.00 0.00 H new ATOM 0 HG3 GLN A 68 27.934 -5.067 -32.475 1.00 0.00 H new ATOM 0 HE21 GLN A 68 28.547 -7.247 -31.948 1.00 0.00 H new ATOM 0 HE22 GLN A 68 30.224 -7.781 -32.102 1.00 0.00 H new ATOM 1104 N LEU A 69 24.854 -5.866 -33.643 1.00 0.00 N ATOM 1105 CA LEU A 69 23.814 -5.487 -32.679 1.00 0.00 C ATOM 1106 C LEU A 69 22.893 -6.673 -32.339 1.00 0.00 C ATOM 1107 O LEU A 69 22.356 -6.744 -31.230 1.00 0.00 O ATOM 1108 CB LEU A 69 23.016 -4.293 -33.249 1.00 0.00 C ATOM 1109 CG LEU A 69 23.857 -3.018 -33.571 1.00 0.00 C ATOM 1110 CD1 LEU A 69 22.968 -1.885 -34.098 1.00 0.00 C ATOM 1111 CD2 LEU A 69 24.693 -2.569 -32.353 1.00 0.00 C ATOM 0 H LEU A 69 24.676 -5.518 -34.585 1.00 0.00 H new ATOM 0 HA LEU A 69 24.286 -5.190 -31.743 1.00 0.00 H new ATOM 0 HB2 LEU A 69 22.513 -4.616 -34.161 1.00 0.00 H new ATOM 0 HB3 LEU A 69 22.238 -4.024 -32.535 1.00 0.00 H new ATOM 0 HG LEU A 69 24.559 -3.277 -34.364 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.582 -1.011 -34.313 1.00 0.00 H new ATOM 0 HD12 LEU A 69 22.467 -2.210 -35.010 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.222 -1.628 -33.346 1.00 0.00 H new ATOM 0 HD21 LEU A 69 25.266 -1.679 -32.613 1.00 0.00 H new ATOM 0 HD22 LEU A 69 24.028 -2.342 -31.519 1.00 0.00 H new ATOM 0 HD23 LEU A 69 25.376 -3.369 -32.066 1.00 0.00 H new ATOM 1123 N ILE A 70 22.731 -7.608 -33.297 1.00 0.00 N ATOM 1124 CA ILE A 70 22.000 -8.869 -33.069 1.00 0.00 C ATOM 1125 C ILE A 70 22.829 -9.730 -32.110 1.00 0.00 C ATOM 1126 O ILE A 70 22.305 -10.269 -31.150 1.00 0.00 O ATOM 1127 CB ILE A 70 21.758 -9.686 -34.397 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.147 -8.790 -35.515 1.00 0.00 C ATOM 1129 CG2 ILE A 70 20.846 -10.920 -34.129 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.338 -9.322 -36.928 1.00 0.00 C ATOM 0 H ILE A 70 23.100 -7.511 -34.243 1.00 0.00 H new ATOM 0 HA ILE A 70 21.021 -8.620 -32.659 1.00 0.00 H new ATOM 0 HB ILE A 70 22.728 -10.040 -34.745 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.080 -8.673 -35.326 1.00 0.00 H new ATOM 0 HG13 ILE A 70 21.593 -7.797 -35.451 1.00 0.00 H new ATOM 0 HG21 ILE A 70 20.693 -11.468 -35.059 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.322 -11.572 -33.397 1.00 0.00 H new ATOM 0 HG23 ILE A 70 19.883 -10.584 -33.743 1.00 0.00 H new ATOM 0 HD11 ILE A 70 20.881 -8.635 -37.640 1.00 0.00 H new ATOM 0 HD12 ILE A 70 22.403 -9.412 -37.142 1.00 0.00 H new ATOM 0 HD13 ILE A 70 20.867 -10.301 -37.015 1.00 0.00 H new ATOM 1142 N ALA A 71 24.146 -9.815 -32.397 1.00 0.00 N ATOM 1143 CA ALA A 71 25.118 -10.573 -31.584 1.00 0.00 C ATOM 1144 C ALA A 71 25.174 -10.058 -30.130 1.00 0.00 C ATOM 1145 O ALA A 71 25.316 -10.846 -29.201 1.00 0.00 O ATOM 1146 CB ALA A 71 26.510 -10.513 -32.240 1.00 0.00 C ATOM 0 H ALA A 71 24.566 -9.356 -33.205 1.00 0.00 H new ATOM 0 HA ALA A 71 24.788 -11.611 -31.543 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.222 -11.074 -31.635 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.461 -10.947 -33.238 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.834 -9.475 -32.312 1.00 0.00 H new ATOM 1152 N ALA A 72 25.045 -8.731 -29.967 1.00 0.00 N ATOM 1153 CA ALA A 72 25.056 -8.067 -28.643 1.00 0.00 C ATOM 1154 C ALA A 72 23.745 -8.339 -27.859 1.00 0.00 C ATOM 1155 O ALA A 72 23.778 -8.708 -26.668 1.00 0.00 O ATOM 1156 CB ALA A 72 25.283 -6.556 -28.826 1.00 0.00 C ATOM 0 H ALA A 72 24.930 -8.084 -30.747 1.00 0.00 H new ATOM 0 HA ALA A 72 25.874 -8.483 -28.054 1.00 0.00 H new ATOM 0 HB1 ALA A 72 25.291 -6.069 -27.851 1.00 0.00 H new ATOM 0 HB2 ALA A 72 26.239 -6.389 -29.323 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.480 -6.138 -29.434 1.00 0.00 H new ATOM 1162 N TYR A 73 22.599 -8.162 -28.559 1.00 0.00 N ATOM 1163 CA TYR A 73 21.244 -8.368 -27.985 1.00 0.00 C ATOM 1164 C TYR A 73 21.073 -9.835 -27.532 1.00 0.00 C ATOM 1165 O TYR A 73 20.574 -10.109 -26.428 1.00 0.00 O ATOM 1166 CB TYR A 73 20.155 -7.986 -29.029 1.00 0.00 C ATOM 1167 CG TYR A 73 18.706 -8.046 -28.505 1.00 0.00 C ATOM 1168 CD1 TYR A 73 18.143 -6.965 -27.820 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.903 -9.183 -28.689 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.845 -7.014 -27.342 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.603 -9.231 -28.212 1.00 0.00 C ATOM 1172 CZ TYR A 73 16.081 -8.145 -27.539 1.00 0.00 C ATOM 1173 OH TYR A 73 14.781 -8.182 -27.073 1.00 0.00 O ATOM 0 H TYR A 73 22.586 -7.873 -29.537 1.00 0.00 H new ATOM 0 HA TYR A 73 21.128 -7.723 -27.114 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.355 -6.977 -29.388 1.00 0.00 H new ATOM 0 HB3 TYR A 73 20.244 -8.653 -29.886 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.733 -6.074 -27.661 1.00 0.00 H new ATOM 0 HD2 TYR A 73 18.307 -10.037 -29.213 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.431 -6.167 -26.815 1.00 0.00 H new ATOM 0 HE2 TYR A 73 16.001 -10.114 -28.366 1.00 0.00 H new ATOM 0 HH TYR A 73 14.308 -8.936 -27.484 1.00 0.00 H new ATOM 1183 N LYS A 74 21.507 -10.760 -28.412 1.00 0.00 N ATOM 1184 CA LYS A 74 21.526 -12.203 -28.130 1.00 0.00 C ATOM 1185 C LYS A 74 22.415 -12.481 -26.929 1.00 0.00 C ATOM 1186 O LYS A 74 21.970 -13.106 -25.994 1.00 0.00 O ATOM 1187 CB LYS A 74 22.024 -13.045 -29.345 1.00 0.00 C ATOM 1188 CG LYS A 74 21.043 -13.111 -30.528 1.00 0.00 C ATOM 1189 CD LYS A 74 21.495 -14.082 -31.646 1.00 0.00 C ATOM 1190 CE LYS A 74 22.799 -13.655 -32.338 1.00 0.00 C ATOM 1191 NZ LYS A 74 23.148 -14.559 -33.464 1.00 0.00 N ATOM 0 H LYS A 74 21.855 -10.522 -29.341 1.00 0.00 H new ATOM 0 HA LYS A 74 20.498 -12.501 -27.922 1.00 0.00 H new ATOM 0 HB2 LYS A 74 22.968 -12.628 -29.696 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.231 -14.060 -29.006 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.064 -13.420 -30.162 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.925 -12.113 -30.949 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.628 -15.077 -31.221 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.704 -14.157 -32.393 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.696 -12.635 -32.709 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.611 -13.650 -31.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.033 -14.238 -33.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.271 -15.528 -33.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.384 -14.545 -34.170 1.00 0.00 H new ATOM 1205 N ASP A 75 23.657 -11.961 -26.958 1.00 0.00 N ATOM 1206 CA ASP A 75 24.675 -12.223 -25.914 1.00 0.00 C ATOM 1207 C ASP A 75 24.123 -11.948 -24.505 1.00 0.00 C ATOM 1208 O ASP A 75 24.359 -12.720 -23.592 1.00 0.00 O ATOM 1209 CB ASP A 75 25.934 -11.365 -26.151 1.00 0.00 C ATOM 1210 CG ASP A 75 27.055 -11.638 -25.125 1.00 0.00 C ATOM 1211 OD1 ASP A 75 27.721 -12.687 -25.230 1.00 0.00 O ATOM 1212 OD2 ASP A 75 27.270 -10.807 -24.209 1.00 0.00 O ATOM 0 H ASP A 75 23.986 -11.348 -27.704 1.00 0.00 H new ATOM 0 HA ASP A 75 24.940 -13.278 -25.981 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.314 -11.557 -27.155 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.661 -10.311 -26.110 1.00 0.00 H new ATOM 1217 N PHE A 76 23.357 -10.859 -24.377 1.00 0.00 N ATOM 1218 CA PHE A 76 22.703 -10.465 -23.110 1.00 0.00 C ATOM 1219 C PHE A 76 21.593 -11.488 -22.742 1.00 0.00 C ATOM 1220 O PHE A 76 21.616 -12.126 -21.655 1.00 0.00 O ATOM 1221 CB PHE A 76 22.125 -9.023 -23.280 1.00 0.00 C ATOM 1222 CG PHE A 76 21.813 -8.250 -21.992 1.00 0.00 C ATOM 1223 CD1 PHE A 76 22.601 -8.393 -20.847 1.00 0.00 C ATOM 1224 CD2 PHE A 76 20.753 -7.340 -21.946 1.00 0.00 C ATOM 1225 CE1 PHE A 76 22.330 -7.666 -19.698 1.00 0.00 C ATOM 1226 CE2 PHE A 76 20.478 -6.615 -20.796 1.00 0.00 C ATOM 1227 CZ PHE A 76 21.270 -6.777 -19.673 1.00 0.00 C ATOM 0 H PHE A 76 23.168 -10.219 -25.149 1.00 0.00 H new ATOM 0 HA PHE A 76 23.424 -10.463 -22.292 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.835 -8.438 -23.864 1.00 0.00 H new ATOM 0 HB3 PHE A 76 21.209 -9.090 -23.867 1.00 0.00 H new ATOM 0 HD1 PHE A 76 23.434 -9.080 -20.857 1.00 0.00 H new ATOM 0 HD2 PHE A 76 20.137 -7.199 -22.822 1.00 0.00 H new ATOM 0 HE1 PHE A 76 22.947 -7.794 -18.821 1.00 0.00 H new ATOM 0 HE2 PHE A 76 19.647 -5.925 -20.777 1.00 0.00 H new ATOM 0 HZ PHE A 76 21.061 -6.210 -18.778 1.00 0.00 H new ATOM 1237 N CYS A 77 20.669 -11.681 -23.704 1.00 0.00 N ATOM 1238 CA CYS A 77 19.490 -12.567 -23.564 1.00 0.00 C ATOM 1239 C CYS A 77 19.890 -14.033 -23.248 1.00 0.00 C ATOM 1240 O CYS A 77 19.179 -14.745 -22.536 1.00 0.00 O ATOM 1241 CB CYS A 77 18.658 -12.502 -24.869 1.00 0.00 C ATOM 1242 SG CYS A 77 17.236 -13.612 -24.931 1.00 0.00 S ATOM 0 H CYS A 77 20.719 -11.221 -24.613 1.00 0.00 H new ATOM 0 HA CYS A 77 18.896 -12.217 -22.720 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.306 -11.479 -25.006 1.00 0.00 H new ATOM 0 HB3 CYS A 77 19.313 -12.729 -25.710 1.00 0.00 H new ATOM 0 HG CYS A 77 17.618 -14.784 -25.345 1.00 0.00 H new ATOM 1248 N GLU A 78 21.055 -14.451 -23.761 1.00 0.00 N ATOM 1249 CA GLU A 78 21.579 -15.821 -23.616 1.00 0.00 C ATOM 1250 C GLU A 78 22.478 -15.933 -22.375 1.00 0.00 C ATOM 1251 O GLU A 78 22.577 -17.008 -21.775 1.00 0.00 O ATOM 1252 CB GLU A 78 22.367 -16.233 -24.883 1.00 0.00 C ATOM 1253 CG GLU A 78 21.566 -16.156 -26.206 1.00 0.00 C ATOM 1254 CD GLU A 78 20.225 -16.922 -26.195 1.00 0.00 C ATOM 1255 OE1 GLU A 78 20.238 -18.160 -26.386 1.00 0.00 O ATOM 1256 OE2 GLU A 78 19.160 -16.288 -26.003 1.00 0.00 O ATOM 0 H GLU A 78 21.671 -13.840 -24.297 1.00 0.00 H new ATOM 0 HA GLU A 78 20.733 -16.497 -23.491 1.00 0.00 H new ATOM 0 HB2 GLU A 78 23.246 -15.594 -24.970 1.00 0.00 H new ATOM 0 HB3 GLU A 78 22.727 -17.254 -24.753 1.00 0.00 H new ATOM 0 HG2 GLU A 78 21.369 -15.109 -26.435 1.00 0.00 H new ATOM 0 HG3 GLU A 78 22.185 -16.547 -27.013 1.00 0.00 H new ATOM 1263 N HIS A 79 23.140 -14.814 -22.002 1.00 0.00 N ATOM 1264 CA HIS A 79 23.988 -14.738 -20.771 1.00 0.00 C ATOM 1265 C HIS A 79 23.131 -14.890 -19.509 1.00 0.00 C ATOM 1266 O HIS A 79 23.651 -15.269 -18.456 1.00 0.00 O ATOM 1267 CB HIS A 79 24.810 -13.396 -20.697 1.00 0.00 C ATOM 1268 CG HIS A 79 26.287 -13.554 -20.976 1.00 0.00 C ATOM 1269 ND1 HIS A 79 26.940 -12.945 -22.026 1.00 0.00 N ATOM 1270 CD2 HIS A 79 27.234 -14.253 -20.308 1.00 0.00 C ATOM 1271 CE1 HIS A 79 28.224 -13.260 -21.990 1.00 0.00 C ATOM 1272 NE2 HIS A 79 28.427 -14.054 -20.959 1.00 0.00 N ATOM 0 H HIS A 79 23.108 -13.943 -22.533 1.00 0.00 H new ATOM 0 HA HIS A 79 24.698 -15.563 -20.827 1.00 0.00 H new ATOM 0 HB2 HIS A 79 24.391 -12.687 -21.412 1.00 0.00 H new ATOM 0 HB3 HIS A 79 24.684 -12.961 -19.706 1.00 0.00 H new ATOM 0 HD2 HIS A 79 27.080 -14.856 -19.426 1.00 0.00 H new ATOM 0 HE1 HIS A 79 28.977 -12.924 -22.687 1.00 0.00 H new ATOM 0 HE2 HIS A 79 29.324 -14.456 -20.688 1.00 0.00 H new ATOM 1281 N GLY A 80 21.822 -14.602 -19.624 1.00 0.00 N ATOM 1282 CA GLY A 80 20.916 -14.755 -18.476 1.00 0.00 C ATOM 1283 C GLY A 80 20.588 -13.417 -17.873 1.00 0.00 C ATOM 1284 O GLY A 80 20.657 -13.239 -16.649 1.00 0.00 O ATOM 0 H GLY A 80 21.377 -14.270 -20.480 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.999 -15.250 -18.794 1.00 0.00 H new ATOM 0 HA3 GLY A 80 21.379 -15.394 -17.724 1.00 0.00 H new