USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=22 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 37 THR OG1 : rot 67:sc= 1.17 USER MOD Set 1.2: A 40 GLN :FLIP amide:sc=-0.000261 F(o=-1!,f=1.7) USER MOD Set 1.3: A 57 ASN : amide:sc= 0.497 K(o=1.7,f=-10!) USER MOD Set 2.1: A 15 CYS SG : rot 180:sc= 0.333 USER MOD Set 2.2: A 38 TYR OH : rot -159:sc= 0.367 USER MOD Single : A 13 MET CE :methyl -157:sc= -0.0344 (180deg=-0.377) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.0703 X(o=-0.07,f=-0.05) USER MOD Single : A 23 GLN : amide:sc= 0.00978 X(o=0.0098,f=-0.3) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -75:sc= 1.5 USER MOD Single : A 32 LYS NZ :NH3+ 149:sc= 0.827 (180deg=0.314) USER MOD Single : A 33 ASN : amide:sc= -0.0968 K(o=-0.097,f=-5.2!) USER MOD Single : A 41 LYS NZ :NH3+ 175:sc=-0.00153 (180deg=-0.0483) USER MOD Single : A 42 ASN : amide:sc= 0.617 K(o=0.62,f=0) USER MOD Single : A 50 HIS : no HE2:sc= 0.784 K(o=0.78,f=-2.6) USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= -0.0163 (180deg=-0.154) USER MOD Single : A 54 THR OG1 : rot -31:sc= 0.255 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+ 178:sc= 0 (180deg=-0.00793) USER MOD Single : A 63 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.061) USER MOD Single : A 65 ASN : amide:sc= -0.407 X(o=-0.41,f=0) USER MOD Single : A 66 CYS SG : rot 180:sc= -0.0489 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0367 F(o=-0.71,f=-0.037) USER MOD Single : A 73 TYR OH : rot 159:sc= 1.14 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= 0.245 K(o=0.25,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 194 N MET A 13 9.974 -1.114 -22.325 1.00 0.00 N ATOM 195 CA MET A 13 9.440 -1.032 -23.691 1.00 0.00 C ATOM 196 C MET A 13 10.449 -1.656 -24.674 1.00 0.00 C ATOM 197 O MET A 13 11.665 -1.637 -24.425 1.00 0.00 O ATOM 198 CB MET A 13 9.130 0.447 -24.080 1.00 0.00 C ATOM 199 CG MET A 13 10.349 1.286 -24.493 1.00 0.00 C ATOM 200 SD MET A 13 11.666 1.288 -23.250 1.00 0.00 S ATOM 201 CE MET A 13 13.111 1.568 -24.278 1.00 0.00 C ATOM 0 HA MET A 13 8.504 -1.588 -23.740 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.414 0.447 -24.902 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.644 0.934 -23.234 1.00 0.00 H new ATOM 0 HG2 MET A 13 10.745 0.901 -25.433 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.030 2.312 -24.678 1.00 0.00 H new ATOM 0 HE1 MET A 13 14.000 1.200 -23.765 1.00 0.00 H new ATOM 0 HE2 MET A 13 12.993 1.039 -25.223 1.00 0.00 H new ATOM 0 HE3 MET A 13 13.219 2.635 -24.471 1.00 0.00 H new ATOM 211 N GLY A 14 9.932 -2.212 -25.772 1.00 0.00 N ATOM 212 CA GLY A 14 10.762 -2.785 -26.819 1.00 0.00 C ATOM 213 C GLY A 14 11.426 -4.097 -26.432 1.00 0.00 C ATOM 214 O GLY A 14 12.627 -4.284 -26.636 1.00 0.00 O ATOM 0 H GLY A 14 8.930 -2.275 -25.954 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.150 -2.947 -27.706 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.534 -2.065 -27.092 1.00 0.00 H new ATOM 218 N CYS A 15 10.650 -5.000 -25.834 1.00 0.00 N ATOM 219 CA CYS A 15 11.077 -6.389 -25.638 1.00 0.00 C ATOM 220 C CYS A 15 10.683 -7.186 -26.898 1.00 0.00 C ATOM 221 O CYS A 15 9.517 -7.560 -27.069 1.00 0.00 O ATOM 222 CB CYS A 15 10.435 -6.964 -24.358 1.00 0.00 C ATOM 223 SG CYS A 15 10.889 -6.060 -22.859 1.00 0.00 S ATOM 0 H CYS A 15 9.718 -4.795 -25.475 1.00 0.00 H new ATOM 0 HA CYS A 15 12.157 -6.454 -25.502 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.351 -6.951 -24.467 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.732 -8.007 -24.248 1.00 0.00 H new ATOM 0 HG CYS A 15 10.308 -6.604 -21.831 1.00 0.00 H new ATOM 229 N TRP A 16 11.654 -7.378 -27.812 1.00 0.00 N ATOM 230 CA TRP A 16 11.423 -8.005 -29.137 1.00 0.00 C ATOM 231 C TRP A 16 11.902 -9.468 -29.141 1.00 0.00 C ATOM 232 O TRP A 16 12.518 -9.939 -28.176 1.00 0.00 O ATOM 233 CB TRP A 16 12.186 -7.218 -30.242 1.00 0.00 C ATOM 234 CG TRP A 16 12.020 -5.716 -30.172 1.00 0.00 C ATOM 235 CD1 TRP A 16 10.904 -4.990 -30.487 1.00 0.00 C ATOM 236 CD2 TRP A 16 13.007 -4.758 -29.753 1.00 0.00 C ATOM 237 NE1 TRP A 16 11.142 -3.656 -30.297 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.421 -3.486 -29.846 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.328 -4.855 -29.308 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.108 -2.322 -29.512 1.00 0.00 C ATOM 241 CZ3 TRP A 16 15.008 -3.698 -28.973 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.396 -2.443 -29.078 1.00 0.00 C ATOM 0 H TRP A 16 12.624 -7.104 -27.656 1.00 0.00 H new ATOM 0 HA TRP A 16 10.352 -7.980 -29.339 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.247 -7.457 -30.173 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.844 -7.563 -31.218 1.00 0.00 H new ATOM 0 HD1 TRP A 16 9.971 -5.409 -30.835 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.471 -2.907 -30.465 1.00 0.00 H new ATOM 0 HE3 TRP A 16 14.810 -5.818 -29.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 12.636 -1.354 -29.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.028 -3.764 -28.625 1.00 0.00 H new ATOM 0 HH2 TRP A 16 14.952 -1.557 -28.811 1.00 0.00 H new ATOM 253 N SER A 17 11.607 -10.182 -30.241 1.00 0.00 N ATOM 254 CA SER A 17 12.211 -11.494 -30.535 1.00 0.00 C ATOM 255 C SER A 17 13.567 -11.296 -31.238 1.00 0.00 C ATOM 256 O SER A 17 13.827 -10.223 -31.801 1.00 0.00 O ATOM 257 CB SER A 17 11.250 -12.327 -31.412 1.00 0.00 C ATOM 258 OG SER A 17 10.009 -12.527 -30.749 1.00 0.00 O ATOM 0 H SER A 17 10.945 -9.867 -30.950 1.00 0.00 H new ATOM 0 HA SER A 17 12.382 -12.035 -29.604 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.083 -11.818 -32.361 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.704 -13.291 -31.643 1.00 0.00 H new ATOM 0 HG SER A 17 9.414 -13.055 -31.321 1.00 0.00 H new ATOM 264 N ILE A 18 14.411 -12.344 -31.214 1.00 0.00 N ATOM 265 CA ILE A 18 15.764 -12.319 -31.819 1.00 0.00 C ATOM 266 C ILE A 18 15.670 -12.055 -33.334 1.00 0.00 C ATOM 267 O ILE A 18 16.359 -11.182 -33.869 1.00 0.00 O ATOM 268 CB ILE A 18 16.528 -13.683 -31.583 1.00 0.00 C ATOM 269 CG1 ILE A 18 16.626 -14.021 -30.060 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.931 -13.694 -32.264 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.408 -13.035 -29.221 1.00 0.00 C ATOM 0 H ILE A 18 14.178 -13.235 -30.775 1.00 0.00 H new ATOM 0 HA ILE A 18 16.320 -11.516 -31.336 1.00 0.00 H new ATOM 0 HB ILE A 18 15.940 -14.468 -32.060 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.616 -14.093 -29.656 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.083 -15.005 -29.953 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.419 -14.650 -32.076 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.815 -13.551 -33.338 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.540 -12.888 -31.855 1.00 0.00 H new ATOM 0 HD11 ILE A 18 17.413 -13.365 -28.182 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.433 -12.977 -29.588 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.943 -12.052 -29.287 1.00 0.00 H new ATOM 283 N GLU A 19 14.779 -12.812 -33.999 1.00 0.00 N ATOM 284 CA GLU A 19 14.573 -12.722 -35.453 1.00 0.00 C ATOM 285 C GLU A 19 13.876 -11.413 -35.851 1.00 0.00 C ATOM 286 O GLU A 19 14.051 -10.942 -36.972 1.00 0.00 O ATOM 287 CB GLU A 19 13.839 -13.978 -35.977 1.00 0.00 C ATOM 288 CG GLU A 19 14.679 -15.259 -35.817 1.00 0.00 C ATOM 289 CD GLU A 19 13.985 -16.531 -36.337 1.00 0.00 C ATOM 290 OE1 GLU A 19 13.195 -17.146 -35.590 1.00 0.00 O ATOM 291 OE2 GLU A 19 14.223 -16.924 -37.504 1.00 0.00 O ATOM 0 H GLU A 19 14.183 -13.502 -33.543 1.00 0.00 H new ATOM 0 HA GLU A 19 15.550 -12.696 -35.936 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.897 -14.095 -35.441 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.592 -13.838 -37.029 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.623 -15.131 -36.346 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.920 -15.394 -34.763 1.00 0.00 H new ATOM 298 N HIS A 20 13.130 -10.794 -34.911 1.00 0.00 N ATOM 299 CA HIS A 20 12.559 -9.449 -35.134 1.00 0.00 C ATOM 300 C HIS A 20 13.698 -8.420 -35.199 1.00 0.00 C ATOM 301 O HIS A 20 13.739 -7.584 -36.097 1.00 0.00 O ATOM 302 CB HIS A 20 11.553 -9.055 -34.023 1.00 0.00 C ATOM 303 CG HIS A 20 10.901 -7.711 -34.249 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.820 -7.524 -35.085 1.00 0.00 N ATOM 305 CD2 HIS A 20 11.198 -6.482 -33.759 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.482 -6.245 -35.090 1.00 0.00 C ATOM 307 NE2 HIS A 20 10.303 -5.589 -34.293 1.00 0.00 N ATOM 0 H HIS A 20 12.911 -11.199 -34.001 1.00 0.00 H new ATOM 0 HA HIS A 20 12.012 -9.465 -36.077 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.779 -9.819 -33.958 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.070 -9.042 -33.064 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.997 -6.248 -33.071 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.669 -5.810 -35.653 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.277 -4.587 -34.105 1.00 0.00 H new ATOM 316 N VAL A 21 14.622 -8.514 -34.232 1.00 0.00 N ATOM 317 CA VAL A 21 15.808 -7.651 -34.159 1.00 0.00 C ATOM 318 C VAL A 21 16.603 -7.718 -35.479 1.00 0.00 C ATOM 319 O VAL A 21 16.636 -6.743 -36.220 1.00 0.00 O ATOM 320 CB VAL A 21 16.701 -8.043 -32.918 1.00 0.00 C ATOM 321 CG1 VAL A 21 18.110 -7.395 -32.965 1.00 0.00 C ATOM 322 CG2 VAL A 21 15.966 -7.680 -31.605 1.00 0.00 C ATOM 0 H VAL A 21 14.566 -9.195 -33.475 1.00 0.00 H new ATOM 0 HA VAL A 21 15.487 -6.619 -34.019 1.00 0.00 H new ATOM 0 HB VAL A 21 16.860 -9.121 -32.956 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.680 -7.699 -32.087 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.630 -7.720 -33.866 1.00 0.00 H new ATOM 0 HG13 VAL A 21 18.011 -6.310 -32.975 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.588 -7.953 -30.752 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.770 -6.608 -31.582 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.022 -8.223 -31.554 1.00 0.00 H new ATOM 332 N GLU A 22 17.119 -8.915 -35.807 1.00 0.00 N ATOM 333 CA GLU A 22 18.053 -9.108 -36.936 1.00 0.00 C ATOM 334 C GLU A 22 17.416 -8.791 -38.299 1.00 0.00 C ATOM 335 O GLU A 22 18.027 -8.104 -39.123 1.00 0.00 O ATOM 336 CB GLU A 22 18.623 -10.549 -36.917 1.00 0.00 C ATOM 337 CG GLU A 22 17.584 -11.673 -36.990 1.00 0.00 C ATOM 338 CD GLU A 22 18.177 -13.069 -36.811 1.00 0.00 C ATOM 339 OE1 GLU A 22 18.630 -13.384 -35.690 1.00 0.00 O ATOM 340 OE2 GLU A 22 18.195 -13.864 -37.770 1.00 0.00 O ATOM 0 H GLU A 22 16.903 -9.774 -35.301 1.00 0.00 H new ATOM 0 HA GLU A 22 18.868 -8.396 -36.804 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.311 -10.659 -37.755 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.207 -10.677 -36.006 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.828 -11.508 -36.222 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.076 -11.624 -37.953 1.00 0.00 H new ATOM 347 N GLN A 23 16.176 -9.265 -38.517 1.00 0.00 N ATOM 348 CA GLN A 23 15.515 -9.166 -39.832 1.00 0.00 C ATOM 349 C GLN A 23 14.921 -7.769 -40.076 1.00 0.00 C ATOM 350 O GLN A 23 14.743 -7.371 -41.233 1.00 0.00 O ATOM 351 CB GLN A 23 14.444 -10.280 -39.982 1.00 0.00 C ATOM 352 CG GLN A 23 15.030 -11.719 -39.921 1.00 0.00 C ATOM 353 CD GLN A 23 16.172 -11.992 -40.926 1.00 0.00 C ATOM 354 OE1 GLN A 23 16.189 -11.460 -42.040 1.00 0.00 O ATOM 355 NE2 GLN A 23 17.152 -12.803 -40.530 1.00 0.00 N ATOM 0 H GLN A 23 15.611 -9.720 -37.800 1.00 0.00 H new ATOM 0 HA GLN A 23 16.274 -9.316 -40.600 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.700 -10.166 -39.193 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.925 -10.148 -40.931 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.399 -11.904 -38.912 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.226 -12.432 -40.102 1.00 0.00 H new ATOM 0 HE21 GLN A 23 17.117 -13.231 -39.605 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.937 -12.995 -41.152 1.00 0.00 H new ATOM 364 N TYR A 24 14.618 -7.026 -38.991 1.00 0.00 N ATOM 365 CA TYR A 24 14.071 -5.653 -39.090 1.00 0.00 C ATOM 366 C TYR A 24 15.148 -4.579 -38.770 1.00 0.00 C ATOM 367 O TYR A 24 14.844 -3.389 -38.865 1.00 0.00 O ATOM 368 CB TYR A 24 12.844 -5.478 -38.145 1.00 0.00 C ATOM 369 CG TYR A 24 11.609 -6.369 -38.432 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.692 -7.766 -38.431 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.355 -5.807 -38.682 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.585 -8.555 -38.669 1.00 0.00 C ATOM 373 CE2 TYR A 24 9.244 -6.593 -38.913 1.00 0.00 C ATOM 374 CZ TYR A 24 9.364 -7.965 -38.910 1.00 0.00 C ATOM 375 OH TYR A 24 8.252 -8.750 -39.133 1.00 0.00 O ATOM 0 H TYR A 24 14.743 -7.354 -38.033 1.00 0.00 H new ATOM 0 HA TYR A 24 13.749 -5.508 -40.121 1.00 0.00 H new ATOM 0 HB2 TYR A 24 13.172 -5.670 -37.123 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.528 -4.436 -38.188 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.645 -8.238 -38.240 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.252 -4.732 -38.695 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.676 -9.631 -38.666 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.284 -6.134 -39.095 1.00 0.00 H new ATOM 0 HH TYR A 24 7.472 -8.177 -39.285 1.00 0.00 H new ATOM 385 N LEU A 25 16.386 -4.981 -38.385 1.00 0.00 N ATOM 386 CA LEU A 25 17.488 -4.011 -38.096 1.00 0.00 C ATOM 387 C LEU A 25 17.802 -3.128 -39.323 1.00 0.00 C ATOM 388 O LEU A 25 18.192 -3.638 -40.376 1.00 0.00 O ATOM 389 CB LEU A 25 18.788 -4.732 -37.588 1.00 0.00 C ATOM 390 CG LEU A 25 18.999 -4.739 -36.036 1.00 0.00 C ATOM 391 CD1 LEU A 25 20.260 -5.519 -35.645 1.00 0.00 C ATOM 392 CD2 LEU A 25 19.044 -3.306 -35.472 1.00 0.00 C ATOM 0 H LEU A 25 16.651 -5.959 -38.267 1.00 0.00 H new ATOM 0 HA LEU A 25 17.133 -3.365 -37.294 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.769 -5.764 -37.938 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.651 -4.254 -38.051 1.00 0.00 H new ATOM 0 HG LEU A 25 18.142 -5.248 -35.594 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.376 -5.504 -34.561 1.00 0.00 H new ATOM 0 HD12 LEU A 25 20.170 -6.550 -35.986 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.132 -5.058 -36.110 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.191 -3.344 -34.393 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.868 -2.760 -35.932 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.105 -2.799 -35.692 1.00 0.00 H new ATOM 404 N GLY A 26 17.609 -1.808 -39.159 1.00 0.00 N ATOM 405 CA GLY A 26 17.842 -0.823 -40.222 1.00 0.00 C ATOM 406 C GLY A 26 16.561 -0.125 -40.674 1.00 0.00 C ATOM 407 O GLY A 26 16.622 0.914 -41.345 1.00 0.00 O ATOM 0 H GLY A 26 17.287 -1.396 -38.283 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.552 -0.075 -39.869 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.301 -1.320 -41.077 1.00 0.00 H new ATOM 411 N THR A 27 15.399 -0.690 -40.297 1.00 0.00 N ATOM 412 CA THR A 27 14.079 -0.178 -40.730 1.00 0.00 C ATOM 413 C THR A 27 13.527 0.855 -39.723 1.00 0.00 C ATOM 414 O THR A 27 14.216 1.250 -38.778 1.00 0.00 O ATOM 415 CB THR A 27 13.046 -1.349 -40.913 1.00 0.00 C ATOM 416 OG1 THR A 27 12.687 -1.919 -39.639 1.00 0.00 O ATOM 417 CG2 THR A 27 13.588 -2.459 -41.836 1.00 0.00 C ATOM 0 H THR A 27 15.345 -1.507 -39.689 1.00 0.00 H new ATOM 0 HA THR A 27 14.222 0.313 -41.693 1.00 0.00 H new ATOM 0 HB THR A 27 12.161 -0.917 -41.381 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.422 -2.479 -39.312 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.842 -3.247 -41.934 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.806 -2.041 -42.819 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.500 -2.874 -41.408 1.00 0.00 H new ATOM 425 N ASP A 28 12.286 1.315 -39.957 1.00 0.00 N ATOM 426 CA ASP A 28 11.553 2.163 -38.996 1.00 0.00 C ATOM 427 C ASP A 28 10.854 1.287 -37.946 1.00 0.00 C ATOM 428 O ASP A 28 10.525 1.760 -36.851 1.00 0.00 O ATOM 429 CB ASP A 28 10.513 3.044 -39.726 1.00 0.00 C ATOM 430 CG ASP A 28 11.135 3.910 -40.833 1.00 0.00 C ATOM 431 OD1 ASP A 28 11.812 4.906 -40.514 1.00 0.00 O ATOM 432 OD2 ASP A 28 10.962 3.586 -42.029 1.00 0.00 O ATOM 0 H ASP A 28 11.765 1.113 -40.810 1.00 0.00 H new ATOM 0 HA ASP A 28 12.270 2.816 -38.497 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.744 2.405 -40.160 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.019 3.690 -39.001 1.00 0.00 H new ATOM 437 N GLU A 29 10.626 0.002 -38.306 1.00 0.00 N ATOM 438 CA GLU A 29 10.026 -1.009 -37.412 1.00 0.00 C ATOM 439 C GLU A 29 11.011 -1.392 -36.293 1.00 0.00 C ATOM 440 O GLU A 29 10.611 -1.637 -35.150 1.00 0.00 O ATOM 441 CB GLU A 29 9.652 -2.277 -38.219 1.00 0.00 C ATOM 442 CG GLU A 29 8.667 -2.042 -39.373 1.00 0.00 C ATOM 443 CD GLU A 29 7.289 -1.550 -38.905 1.00 0.00 C ATOM 444 OE1 GLU A 29 6.506 -2.371 -38.371 1.00 0.00 O ATOM 445 OE2 GLU A 29 6.972 -0.352 -39.069 1.00 0.00 O ATOM 0 H GLU A 29 10.856 -0.362 -39.231 1.00 0.00 H new ATOM 0 HA GLU A 29 9.128 -0.582 -36.966 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.565 -2.715 -38.623 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.222 -3.010 -37.537 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.092 -1.311 -40.061 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.543 -2.970 -39.931 1.00 0.00 H new ATOM 452 N LEU A 30 12.307 -1.463 -36.657 1.00 0.00 N ATOM 453 CA LEU A 30 13.404 -1.713 -35.709 1.00 0.00 C ATOM 454 C LEU A 30 14.617 -0.873 -36.164 1.00 0.00 C ATOM 455 O LEU A 30 15.470 -1.362 -36.916 1.00 0.00 O ATOM 456 CB LEU A 30 13.729 -3.246 -35.625 1.00 0.00 C ATOM 457 CG LEU A 30 14.318 -3.797 -34.286 1.00 0.00 C ATOM 458 CD1 LEU A 30 15.729 -3.260 -33.975 1.00 0.00 C ATOM 459 CD2 LEU A 30 13.353 -3.513 -33.132 1.00 0.00 C ATOM 0 H LEU A 30 12.620 -1.348 -37.621 1.00 0.00 H new ATOM 0 HA LEU A 30 13.122 -1.413 -34.700 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.811 -3.794 -35.837 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.433 -3.483 -36.422 1.00 0.00 H new ATOM 0 HG LEU A 30 14.430 -4.875 -34.406 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.079 -3.681 -33.033 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.411 -3.545 -34.776 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.696 -2.173 -33.896 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.772 -3.901 -32.203 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.202 -2.437 -33.041 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.397 -3.998 -33.329 1.00 0.00 H new ATOM 471 N PRO A 31 14.665 0.439 -35.776 1.00 0.00 N ATOM 472 CA PRO A 31 15.842 1.289 -36.024 1.00 0.00 C ATOM 473 C PRO A 31 17.034 0.838 -35.158 1.00 0.00 C ATOM 474 O PRO A 31 16.862 0.482 -33.980 1.00 0.00 O ATOM 475 CB PRO A 31 15.352 2.721 -35.675 1.00 0.00 C ATOM 476 CG PRO A 31 14.206 2.522 -34.726 1.00 0.00 C ATOM 477 CD PRO A 31 13.570 1.197 -35.100 1.00 0.00 C ATOM 0 HA PRO A 31 16.208 1.233 -37.049 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.147 3.309 -35.215 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.035 3.258 -36.569 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.554 2.509 -33.693 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.486 3.336 -34.809 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.205 0.668 -34.219 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.716 1.339 -35.763 1.00 0.00 H new ATOM 485 N LYS A 32 18.227 0.845 -35.773 1.00 0.00 N ATOM 486 CA LYS A 32 19.478 0.407 -35.144 1.00 0.00 C ATOM 487 C LYS A 32 19.759 1.179 -33.848 1.00 0.00 C ATOM 488 O LYS A 32 20.123 0.575 -32.834 1.00 0.00 O ATOM 489 CB LYS A 32 20.649 0.560 -36.152 1.00 0.00 C ATOM 490 CG LYS A 32 20.529 -0.349 -37.398 1.00 0.00 C ATOM 491 CD LYS A 32 21.720 -0.207 -38.367 1.00 0.00 C ATOM 492 CE LYS A 32 21.818 1.185 -39.018 1.00 0.00 C ATOM 493 NZ LYS A 32 23.013 1.310 -39.886 1.00 0.00 N ATOM 0 H LYS A 32 18.349 1.160 -36.735 1.00 0.00 H new ATOM 0 HA LYS A 32 19.379 -0.644 -34.872 1.00 0.00 H new ATOM 0 HB2 LYS A 32 20.702 1.599 -36.477 1.00 0.00 H new ATOM 0 HB3 LYS A 32 21.586 0.337 -35.641 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.452 -1.388 -37.077 1.00 0.00 H new ATOM 0 HG3 LYS A 32 19.607 -0.110 -37.928 1.00 0.00 H new ATOM 0 HD2 LYS A 32 22.644 -0.413 -37.827 1.00 0.00 H new ATOM 0 HD3 LYS A 32 21.633 -0.960 -39.150 1.00 0.00 H new ATOM 0 HE2 LYS A 32 20.921 1.373 -39.607 1.00 0.00 H new ATOM 0 HE3 LYS A 32 21.854 1.947 -38.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 22.807 1.965 -40.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.811 1.676 -39.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 23.261 0.377 -40.272 1.00 0.00 H new ATOM 507 N ASN A 33 19.526 2.508 -33.893 1.00 0.00 N ATOM 508 CA ASN A 33 19.683 3.412 -32.730 1.00 0.00 C ATOM 509 C ASN A 33 18.913 2.877 -31.507 1.00 0.00 C ATOM 510 O ASN A 33 19.460 2.812 -30.410 1.00 0.00 O ATOM 511 CB ASN A 33 19.150 4.832 -33.075 1.00 0.00 C ATOM 512 CG ASN A 33 19.409 5.893 -31.990 1.00 0.00 C ATOM 513 OD1 ASN A 33 20.344 6.683 -32.092 1.00 0.00 O ATOM 514 ND2 ASN A 33 18.609 5.902 -30.935 1.00 0.00 N ATOM 0 H ASN A 33 19.222 2.988 -34.740 1.00 0.00 H new ATOM 0 HA ASN A 33 20.745 3.462 -32.491 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.611 5.163 -34.006 1.00 0.00 H new ATOM 0 HB3 ASN A 33 18.077 4.769 -33.255 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.763 6.575 -30.184 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.839 5.236 -30.873 1.00 0.00 H new ATOM 521 N ASP A 34 17.649 2.471 -31.741 1.00 0.00 N ATOM 522 CA ASP A 34 16.698 2.090 -30.675 1.00 0.00 C ATOM 523 C ASP A 34 17.069 0.735 -30.042 1.00 0.00 C ATOM 524 O ASP A 34 16.822 0.512 -28.850 1.00 0.00 O ATOM 525 CB ASP A 34 15.252 2.059 -31.236 1.00 0.00 C ATOM 526 CG ASP A 34 14.171 2.010 -30.139 1.00 0.00 C ATOM 527 OD1 ASP A 34 13.733 3.083 -29.682 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.760 0.910 -29.737 1.00 0.00 O ATOM 0 H ASP A 34 17.256 2.397 -32.679 1.00 0.00 H new ATOM 0 HA ASP A 34 16.754 2.842 -29.888 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.091 2.942 -31.855 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.140 1.190 -31.885 1.00 0.00 H new ATOM 533 N LEU A 35 17.672 -0.148 -30.850 1.00 0.00 N ATOM 534 CA LEU A 35 18.223 -1.432 -30.371 1.00 0.00 C ATOM 535 C LEU A 35 19.355 -1.141 -29.357 1.00 0.00 C ATOM 536 O LEU A 35 19.352 -1.652 -28.231 1.00 0.00 O ATOM 537 CB LEU A 35 18.739 -2.274 -31.592 1.00 0.00 C ATOM 538 CG LEU A 35 19.028 -3.808 -31.380 1.00 0.00 C ATOM 539 CD1 LEU A 35 20.279 -4.085 -30.535 1.00 0.00 C ATOM 540 CD2 LEU A 35 17.808 -4.524 -30.791 1.00 0.00 C ATOM 0 H LEU A 35 17.793 0.003 -31.851 1.00 0.00 H new ATOM 0 HA LEU A 35 17.452 -2.017 -29.870 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.004 -2.183 -32.392 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.658 -1.810 -31.950 1.00 0.00 H new ATOM 0 HG LEU A 35 19.232 -4.212 -32.372 1.00 0.00 H new ATOM 0 HD11 LEU A 35 20.416 -5.161 -30.430 1.00 0.00 H new ATOM 0 HD12 LEU A 35 21.152 -3.654 -31.025 1.00 0.00 H new ATOM 0 HD13 LEU A 35 20.158 -3.637 -29.549 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.037 -5.581 -30.656 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.556 -4.081 -29.827 1.00 0.00 H new ATOM 0 HD23 LEU A 35 16.962 -4.420 -31.470 1.00 0.00 H new ATOM 552 N ILE A 36 20.296 -0.282 -29.788 1.00 0.00 N ATOM 553 CA ILE A 36 21.448 0.161 -28.967 1.00 0.00 C ATOM 554 C ILE A 36 20.958 0.869 -27.677 1.00 0.00 C ATOM 555 O ILE A 36 21.542 0.696 -26.602 1.00 0.00 O ATOM 556 CB ILE A 36 22.364 1.147 -29.786 1.00 0.00 C ATOM 557 CG1 ILE A 36 22.768 0.535 -31.168 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.631 1.545 -28.978 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.223 1.552 -32.208 1.00 0.00 C ATOM 0 H ILE A 36 20.283 0.130 -30.721 1.00 0.00 H new ATOM 0 HA ILE A 36 22.025 -0.723 -28.694 1.00 0.00 H new ATOM 0 HB ILE A 36 21.781 2.049 -29.971 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.570 -0.186 -31.010 1.00 0.00 H new ATOM 0 HG13 ILE A 36 21.917 -0.017 -31.568 1.00 0.00 H new ATOM 0 HG21 ILE A 36 24.242 2.226 -29.571 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.333 2.038 -28.053 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.208 0.651 -28.743 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.482 1.036 -33.132 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.417 2.260 -32.401 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.095 2.088 -31.835 1.00 0.00 H new ATOM 571 N THR A 37 19.862 1.646 -27.823 1.00 0.00 N ATOM 572 CA THR A 37 19.223 2.394 -26.723 1.00 0.00 C ATOM 573 C THR A 37 18.735 1.430 -25.626 1.00 0.00 C ATOM 574 O THR A 37 19.118 1.575 -24.466 1.00 0.00 O ATOM 575 CB THR A 37 18.028 3.263 -27.244 1.00 0.00 C ATOM 576 OG1 THR A 37 18.488 4.175 -28.256 1.00 0.00 O ATOM 577 CG2 THR A 37 17.348 4.062 -26.116 1.00 0.00 C ATOM 0 H THR A 37 19.392 1.771 -28.720 1.00 0.00 H new ATOM 0 HA THR A 37 19.972 3.064 -26.300 1.00 0.00 H new ATOM 0 HB THR A 37 17.291 2.575 -27.659 1.00 0.00 H new ATOM 0 HG1 THR A 37 18.760 3.671 -29.051 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.527 4.648 -26.529 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.961 3.374 -25.365 1.00 0.00 H new ATOM 0 HG23 THR A 37 18.075 4.731 -25.655 1.00 0.00 H new ATOM 585 N TYR A 38 17.932 0.423 -26.029 1.00 0.00 N ATOM 586 CA TYR A 38 17.401 -0.616 -25.117 1.00 0.00 C ATOM 587 C TYR A 38 18.555 -1.298 -24.362 1.00 0.00 C ATOM 588 O TYR A 38 18.507 -1.460 -23.135 1.00 0.00 O ATOM 589 CB TYR A 38 16.595 -1.667 -25.928 1.00 0.00 C ATOM 590 CG TYR A 38 15.999 -2.829 -25.100 1.00 0.00 C ATOM 591 CD1 TYR A 38 16.734 -3.997 -24.835 1.00 0.00 C ATOM 592 CD2 TYR A 38 14.689 -2.773 -24.607 1.00 0.00 C ATOM 593 CE1 TYR A 38 16.188 -5.051 -24.119 1.00 0.00 C ATOM 594 CE2 TYR A 38 14.147 -3.826 -23.882 1.00 0.00 C ATOM 595 CZ TYR A 38 14.899 -4.959 -23.647 1.00 0.00 C ATOM 596 OH TYR A 38 14.350 -6.007 -22.947 1.00 0.00 O ATOM 0 H TYR A 38 17.632 0.306 -26.997 1.00 0.00 H new ATOM 0 HA TYR A 38 16.739 -0.146 -24.390 1.00 0.00 H new ATOM 0 HB2 TYR A 38 15.782 -1.157 -26.444 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.246 -2.086 -26.695 1.00 0.00 H new ATOM 0 HD1 TYR A 38 17.748 -4.075 -25.198 1.00 0.00 H new ATOM 0 HD2 TYR A 38 14.089 -1.894 -24.794 1.00 0.00 H new ATOM 0 HE1 TYR A 38 16.772 -5.940 -23.933 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.138 -3.758 -23.502 1.00 0.00 H new ATOM 0 HH TYR A 38 13.373 -5.942 -22.974 1.00 0.00 H new ATOM 606 N LEU A 39 19.597 -1.663 -25.127 1.00 0.00 N ATOM 607 CA LEU A 39 20.787 -2.362 -24.604 1.00 0.00 C ATOM 608 C LEU A 39 21.486 -1.547 -23.510 1.00 0.00 C ATOM 609 O LEU A 39 21.797 -2.084 -22.475 1.00 0.00 O ATOM 610 CB LEU A 39 21.770 -2.722 -25.763 1.00 0.00 C ATOM 611 CG LEU A 39 21.592 -4.150 -26.384 1.00 0.00 C ATOM 612 CD1 LEU A 39 20.113 -4.487 -26.671 1.00 0.00 C ATOM 613 CD2 LEU A 39 22.448 -4.302 -27.653 1.00 0.00 C ATOM 0 H LEU A 39 19.640 -1.482 -26.130 1.00 0.00 H new ATOM 0 HA LEU A 39 20.452 -3.292 -24.145 1.00 0.00 H new ATOM 0 HB2 LEU A 39 21.654 -1.984 -26.556 1.00 0.00 H new ATOM 0 HB3 LEU A 39 22.791 -2.632 -25.391 1.00 0.00 H new ATOM 0 HG LEU A 39 21.940 -4.868 -25.641 1.00 0.00 H new ATOM 0 HD11 LEU A 39 20.044 -5.487 -27.100 1.00 0.00 H new ATOM 0 HD12 LEU A 39 19.545 -4.451 -25.742 1.00 0.00 H new ATOM 0 HD13 LEU A 39 19.704 -3.761 -27.374 1.00 0.00 H new ATOM 0 HD21 LEU A 39 22.310 -5.300 -28.068 1.00 0.00 H new ATOM 0 HD22 LEU A 39 22.143 -3.558 -28.389 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.499 -4.156 -27.403 1.00 0.00 H new ATOM 625 N GLN A 40 21.698 -0.244 -23.731 1.00 0.00 N ATOM 626 CA GLN A 40 22.408 0.609 -22.749 1.00 0.00 C ATOM 627 C GLN A 40 21.502 1.020 -21.575 1.00 0.00 C ATOM 628 O GLN A 40 22.000 1.388 -20.511 1.00 0.00 O ATOM 629 CB GLN A 40 23.057 1.831 -23.450 1.00 0.00 C ATOM 630 CG GLN A 40 22.086 2.785 -24.165 1.00 0.00 C ATOM 631 CD GLN A 40 22.748 3.642 -25.246 1.00 0.00 C ATOM 632 OE1 GLN A 40 23.692 3.056 -25.989 1.00 0.00 O flip ATOM 633 NE2 GLN A 40 22.372 4.791 -25.457 1.00 0.00 N flip ATOM 0 H GLN A 40 21.394 0.247 -24.572 1.00 0.00 H new ATOM 0 HA GLN A 40 23.212 0.016 -22.314 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.614 2.400 -22.705 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.781 1.466 -24.179 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.284 2.201 -24.617 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.625 3.441 -23.426 1.00 0.00 H new ATOM 0 HE21 GLN A 40 21.649 5.207 -24.870 1.00 0.00 H new ATOM 0 HE22 GLN A 40 22.782 5.330 -26.220 1.00 0.00 H new ATOM 642 N LYS A 41 20.174 0.946 -21.771 1.00 0.00 N ATOM 643 CA LYS A 41 19.196 1.215 -20.690 1.00 0.00 C ATOM 644 C LYS A 41 19.140 0.042 -19.689 1.00 0.00 C ATOM 645 O LYS A 41 19.046 0.252 -18.474 1.00 0.00 O ATOM 646 CB LYS A 41 17.785 1.480 -21.277 1.00 0.00 C ATOM 647 CG LYS A 41 17.650 2.821 -22.028 1.00 0.00 C ATOM 648 CD LYS A 41 16.235 3.049 -22.611 1.00 0.00 C ATOM 649 CE LYS A 41 15.141 3.108 -21.525 1.00 0.00 C ATOM 650 NZ LYS A 41 15.370 4.202 -20.547 1.00 0.00 N ATOM 0 H LYS A 41 19.749 0.703 -22.666 1.00 0.00 H new ATOM 0 HA LYS A 41 19.527 2.107 -20.159 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.530 0.668 -21.958 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.057 1.456 -20.466 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.892 3.638 -21.348 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.380 2.853 -22.837 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.227 3.979 -23.179 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.002 2.247 -23.311 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.169 3.246 -21.999 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.105 2.155 -20.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.566 4.254 -19.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.242 4.013 -20.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.462 5.106 -21.053 1.00 0.00 H new ATOM 664 N ASN A 42 19.193 -1.190 -20.218 1.00 0.00 N ATOM 665 CA ASN A 42 19.049 -2.419 -19.413 1.00 0.00 C ATOM 666 C ASN A 42 20.406 -2.973 -18.931 1.00 0.00 C ATOM 667 O ASN A 42 20.481 -3.579 -17.858 1.00 0.00 O ATOM 668 CB ASN A 42 18.278 -3.493 -20.229 1.00 0.00 C ATOM 669 CG ASN A 42 16.785 -3.207 -20.338 1.00 0.00 C ATOM 670 OD1 ASN A 42 16.023 -3.590 -19.464 1.00 0.00 O ATOM 671 ND2 ASN A 42 16.350 -2.544 -21.404 1.00 0.00 N ATOM 0 H ASN A 42 19.336 -1.365 -21.213 1.00 0.00 H new ATOM 0 HA ASN A 42 18.482 -2.162 -18.518 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.704 -3.554 -21.231 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.422 -4.467 -19.762 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.356 -2.342 -21.508 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.010 -2.237 -22.118 1.00 0.00 H new ATOM 678 N ALA A 43 21.460 -2.796 -19.740 1.00 0.00 N ATOM 679 CA ALA A 43 22.810 -3.341 -19.432 1.00 0.00 C ATOM 680 C ALA A 43 23.689 -2.359 -18.642 1.00 0.00 C ATOM 681 O ALA A 43 23.429 -1.153 -18.602 1.00 0.00 O ATOM 682 CB ALA A 43 23.535 -3.745 -20.719 1.00 0.00 C ATOM 0 H ALA A 43 21.413 -2.279 -20.618 1.00 0.00 H new ATOM 0 HA ALA A 43 22.647 -4.216 -18.803 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.520 -4.141 -20.473 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.956 -4.509 -21.238 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.645 -2.873 -21.364 1.00 0.00 H new ATOM 688 N ASP A 44 24.746 -2.930 -18.039 1.00 0.00 N ATOM 689 CA ASP A 44 25.788 -2.204 -17.288 1.00 0.00 C ATOM 690 C ASP A 44 26.773 -1.553 -18.267 1.00 0.00 C ATOM 691 O ASP A 44 26.921 -2.039 -19.390 1.00 0.00 O ATOM 692 CB ASP A 44 26.570 -3.187 -16.371 1.00 0.00 C ATOM 693 CG ASP A 44 25.671 -4.160 -15.587 1.00 0.00 C ATOM 694 OD1 ASP A 44 25.198 -5.154 -16.186 1.00 0.00 O ATOM 695 OD2 ASP A 44 25.432 -3.946 -14.375 1.00 0.00 O ATOM 0 H ASP A 44 24.905 -3.937 -18.060 1.00 0.00 H new ATOM 0 HA ASP A 44 25.308 -1.439 -16.678 1.00 0.00 H new ATOM 0 HB2 ASP A 44 27.265 -3.763 -16.982 1.00 0.00 H new ATOM 0 HB3 ASP A 44 27.168 -2.611 -15.665 1.00 0.00 H new ATOM 700 N ALA A 45 27.489 -0.507 -17.808 1.00 0.00 N ATOM 701 CA ALA A 45 28.489 0.228 -18.630 1.00 0.00 C ATOM 702 C ALA A 45 29.544 -0.730 -19.235 1.00 0.00 C ATOM 703 O ALA A 45 29.995 -0.528 -20.362 1.00 0.00 O ATOM 704 CB ALA A 45 29.167 1.321 -17.782 1.00 0.00 C ATOM 0 H ALA A 45 27.395 -0.143 -16.860 1.00 0.00 H new ATOM 0 HA ALA A 45 27.964 0.699 -19.461 1.00 0.00 H new ATOM 0 HB1 ALA A 45 29.897 1.854 -18.391 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.414 2.022 -17.422 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.670 0.862 -16.931 1.00 0.00 H new ATOM 710 N ALA A 46 29.877 -1.791 -18.468 1.00 0.00 N ATOM 711 CA ALA A 46 30.823 -2.853 -18.881 1.00 0.00 C ATOM 712 C ALA A 46 30.388 -3.545 -20.194 1.00 0.00 C ATOM 713 O ALA A 46 31.216 -3.821 -21.066 1.00 0.00 O ATOM 714 CB ALA A 46 30.954 -3.891 -17.755 1.00 0.00 C ATOM 0 H ALA A 46 29.493 -1.937 -17.534 1.00 0.00 H new ATOM 0 HA ALA A 46 31.789 -2.384 -19.069 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.650 -4.672 -18.060 1.00 0.00 H new ATOM 0 HB2 ALA A 46 31.326 -3.405 -16.853 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.979 -4.333 -17.552 1.00 0.00 H new ATOM 720 N PHE A 47 29.073 -3.794 -20.318 1.00 0.00 N ATOM 721 CA PHE A 47 28.479 -4.508 -21.467 1.00 0.00 C ATOM 722 C PHE A 47 28.586 -3.660 -22.751 1.00 0.00 C ATOM 723 O PHE A 47 28.897 -4.181 -23.826 1.00 0.00 O ATOM 724 CB PHE A 47 27.001 -4.855 -21.155 1.00 0.00 C ATOM 725 CG PHE A 47 26.335 -5.824 -22.137 1.00 0.00 C ATOM 726 CD1 PHE A 47 26.473 -7.204 -21.973 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.565 -5.364 -23.216 1.00 0.00 C ATOM 728 CE1 PHE A 47 25.867 -8.089 -22.846 1.00 0.00 C ATOM 729 CE2 PHE A 47 24.960 -6.254 -24.090 1.00 0.00 C ATOM 730 CZ PHE A 47 25.116 -7.615 -23.904 1.00 0.00 C ATOM 0 H PHE A 47 28.386 -3.505 -19.621 1.00 0.00 H new ATOM 0 HA PHE A 47 29.030 -5.433 -21.635 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.949 -5.285 -20.155 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.424 -3.930 -21.135 1.00 0.00 H new ATOM 0 HD1 PHE A 47 27.062 -7.586 -21.152 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.442 -4.302 -23.368 1.00 0.00 H new ATOM 0 HE1 PHE A 47 25.981 -9.153 -22.700 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.368 -5.885 -24.914 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.650 -8.309 -24.587 1.00 0.00 H new ATOM 740 N LEU A 48 28.332 -2.343 -22.621 1.00 0.00 N ATOM 741 CA LEU A 48 28.433 -1.406 -23.757 1.00 0.00 C ATOM 742 C LEU A 48 29.904 -1.157 -24.123 1.00 0.00 C ATOM 743 O LEU A 48 30.216 -0.878 -25.266 1.00 0.00 O ATOM 744 CB LEU A 48 27.710 -0.060 -23.475 1.00 0.00 C ATOM 745 CG LEU A 48 26.178 -0.129 -23.160 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.441 -1.157 -24.045 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.911 -0.373 -21.668 1.00 0.00 C ATOM 0 H LEU A 48 28.056 -1.905 -21.742 1.00 0.00 H new ATOM 0 HA LEU A 48 27.930 -1.873 -24.603 1.00 0.00 H new ATOM 0 HB2 LEU A 48 28.208 0.422 -22.633 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.849 0.587 -24.341 1.00 0.00 H new ATOM 0 HG LEU A 48 25.768 0.850 -23.407 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.382 -1.166 -23.787 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.557 -0.883 -25.094 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.863 -2.148 -23.880 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.836 -0.414 -21.493 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.364 -1.318 -21.367 1.00 0.00 H new ATOM 0 HD23 LEU A 48 26.343 0.439 -21.083 1.00 0.00 H new ATOM 759 N ARG A 49 30.802 -1.248 -23.144 1.00 0.00 N ATOM 760 CA ARG A 49 32.257 -1.147 -23.391 1.00 0.00 C ATOM 761 C ARG A 49 32.823 -2.473 -23.944 1.00 0.00 C ATOM 762 O ARG A 49 33.909 -2.494 -24.527 1.00 0.00 O ATOM 763 CB ARG A 49 32.969 -0.680 -22.098 1.00 0.00 C ATOM 764 CG ARG A 49 32.603 0.778 -21.716 1.00 0.00 C ATOM 765 CD ARG A 49 33.134 1.223 -20.347 1.00 0.00 C ATOM 766 NE ARG A 49 32.773 2.633 -20.063 1.00 0.00 N ATOM 767 CZ ARG A 49 32.707 3.190 -18.851 1.00 0.00 C ATOM 768 NH1 ARG A 49 32.912 2.474 -17.757 1.00 0.00 N ATOM 769 NH2 ARG A 49 32.416 4.476 -18.732 1.00 0.00 N ATOM 0 H ARG A 49 30.556 -1.392 -22.165 1.00 0.00 H new ATOM 0 HA ARG A 49 32.445 -0.399 -24.161 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.701 -1.346 -21.278 1.00 0.00 H new ATOM 0 HB3 ARG A 49 34.048 -0.758 -22.232 1.00 0.00 H new ATOM 0 HG2 ARG A 49 32.993 1.450 -22.480 1.00 0.00 H new ATOM 0 HG3 ARG A 49 31.518 0.882 -21.723 1.00 0.00 H new ATOM 0 HD2 ARG A 49 32.727 0.577 -19.569 1.00 0.00 H new ATOM 0 HD3 ARG A 49 34.218 1.110 -20.320 1.00 0.00 H new ATOM 0 HE ARG A 49 32.556 3.229 -20.862 1.00 0.00 H new ATOM 0 HH11 ARG A 49 33.125 1.479 -17.831 1.00 0.00 H new ATOM 0 HH12 ARG A 49 32.857 2.917 -16.840 1.00 0.00 H new ATOM 0 HH21 ARG A 49 32.243 5.039 -19.565 1.00 0.00 H new ATOM 0 HH22 ARG A 49 32.365 4.904 -17.808 1.00 0.00 H new ATOM 783 N HIS A 50 32.063 -3.571 -23.768 1.00 0.00 N ATOM 784 CA HIS A 50 32.394 -4.890 -24.346 1.00 0.00 C ATOM 785 C HIS A 50 32.031 -4.934 -25.847 1.00 0.00 C ATOM 786 O HIS A 50 32.841 -5.358 -26.675 1.00 0.00 O ATOM 787 CB HIS A 50 31.643 -6.009 -23.569 1.00 0.00 C ATOM 788 CG HIS A 50 31.920 -7.406 -24.057 1.00 0.00 C ATOM 789 ND1 HIS A 50 31.041 -8.116 -24.844 1.00 0.00 N ATOM 790 CD2 HIS A 50 32.973 -8.231 -23.850 1.00 0.00 C ATOM 791 CE1 HIS A 50 31.543 -9.302 -25.110 1.00 0.00 C ATOM 792 NE2 HIS A 50 32.714 -9.402 -24.520 1.00 0.00 N ATOM 0 H HIS A 50 31.202 -3.570 -23.221 1.00 0.00 H new ATOM 0 HA HIS A 50 33.467 -5.055 -24.254 1.00 0.00 H new ATOM 0 HB2 HIS A 50 31.914 -5.946 -22.515 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.571 -5.822 -23.634 1.00 0.00 H new ATOM 0 HD1 HIS A 50 30.137 -7.774 -25.171 1.00 0.00 H new ATOM 0 HD2 HIS A 50 33.854 -8.010 -23.266 1.00 0.00 H new ATOM 0 HE1 HIS A 50 31.073 -10.066 -25.712 1.00 0.00 H new ATOM 801 N TRP A 51 30.802 -4.495 -26.183 1.00 0.00 N ATOM 802 CA TRP A 51 30.277 -4.512 -27.574 1.00 0.00 C ATOM 803 C TRP A 51 30.485 -3.153 -28.288 1.00 0.00 C ATOM 804 O TRP A 51 30.008 -2.960 -29.415 1.00 0.00 O ATOM 805 CB TRP A 51 28.776 -4.903 -27.568 1.00 0.00 C ATOM 806 CG TRP A 51 28.513 -6.281 -27.005 1.00 0.00 C ATOM 807 CD1 TRP A 51 28.114 -6.595 -25.739 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.649 -7.533 -27.696 1.00 0.00 C ATOM 809 NE1 TRP A 51 27.983 -7.951 -25.604 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.302 -8.549 -26.789 1.00 0.00 C ATOM 811 CE3 TRP A 51 29.016 -7.889 -29.000 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.320 -9.896 -27.133 1.00 0.00 C ATOM 813 CZ3 TRP A 51 29.035 -9.227 -29.340 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.685 -10.218 -28.412 1.00 0.00 C ATOM 0 H TRP A 51 30.142 -4.118 -25.503 1.00 0.00 H new ATOM 0 HA TRP A 51 30.840 -5.258 -28.135 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.220 -4.169 -26.985 1.00 0.00 H new ATOM 0 HB3 TRP A 51 28.393 -4.857 -28.587 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.928 -5.876 -24.955 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.694 -8.436 -24.755 1.00 0.00 H new ATOM 0 HE3 TRP A 51 29.279 -7.132 -29.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 28.056 -10.660 -26.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.325 -9.516 -30.340 1.00 0.00 H new ATOM 0 HH2 TRP A 51 28.704 -11.255 -28.712 1.00 0.00 H new ATOM 825 N LYS A 52 31.188 -2.223 -27.594 1.00 0.00 N ATOM 826 CA LYS A 52 31.638 -0.906 -28.131 1.00 0.00 C ATOM 827 C LYS A 52 30.448 0.055 -28.401 1.00 0.00 C ATOM 828 O LYS A 52 30.561 1.014 -29.173 1.00 0.00 O ATOM 829 CB LYS A 52 32.541 -1.089 -29.393 1.00 0.00 C ATOM 830 CG LYS A 52 33.720 -2.073 -29.202 1.00 0.00 C ATOM 831 CD LYS A 52 34.672 -1.701 -28.040 1.00 0.00 C ATOM 832 CE LYS A 52 35.508 -0.438 -28.318 1.00 0.00 C ATOM 833 NZ LYS A 52 36.419 -0.621 -29.481 1.00 0.00 N ATOM 0 H LYS A 52 31.466 -2.367 -26.623 1.00 0.00 H new ATOM 0 HA LYS A 52 32.246 -0.433 -27.360 1.00 0.00 H new ATOM 0 HB2 LYS A 52 31.922 -1.439 -30.219 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.939 -0.117 -29.683 1.00 0.00 H new ATOM 0 HG2 LYS A 52 33.321 -3.072 -29.025 1.00 0.00 H new ATOM 0 HG3 LYS A 52 34.294 -2.119 -30.127 1.00 0.00 H new ATOM 0 HD2 LYS A 52 34.086 -1.548 -27.134 1.00 0.00 H new ATOM 0 HD3 LYS A 52 35.344 -2.538 -27.848 1.00 0.00 H new ATOM 0 HE2 LYS A 52 34.842 0.404 -28.507 1.00 0.00 H new ATOM 0 HE3 LYS A 52 36.094 -0.188 -27.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 37.092 0.171 -29.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 36.942 -1.514 -29.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 35.861 -0.648 -30.358 1.00 0.00 H new ATOM 847 N LEU A 53 29.335 -0.189 -27.687 1.00 0.00 N ATOM 848 CA LEU A 53 28.111 0.640 -27.723 1.00 0.00 C ATOM 849 C LEU A 53 28.188 1.795 -26.675 1.00 0.00 C ATOM 850 O LEU A 53 27.161 2.384 -26.316 1.00 0.00 O ATOM 851 CB LEU A 53 26.871 -0.251 -27.416 1.00 0.00 C ATOM 852 CG LEU A 53 26.784 -1.627 -28.148 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.597 -2.443 -27.610 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.701 -1.469 -29.683 1.00 0.00 C ATOM 0 H LEU A 53 29.257 -0.985 -27.054 1.00 0.00 H new ATOM 0 HA LEU A 53 28.021 1.078 -28.717 1.00 0.00 H new ATOM 0 HB2 LEU A 53 26.846 -0.437 -26.342 1.00 0.00 H new ATOM 0 HB3 LEU A 53 25.975 0.320 -27.662 1.00 0.00 H new ATOM 0 HG LEU A 53 27.706 -2.170 -27.939 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.548 -3.400 -28.129 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.729 -2.616 -26.542 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.671 -1.892 -27.777 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.642 -2.453 -30.147 1.00 0.00 H new ATOM 0 HD22 LEU A 53 25.813 -0.892 -29.942 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.589 -0.950 -30.044 1.00 0.00 H new ATOM 866 N THR A 54 29.410 2.103 -26.189 1.00 0.00 N ATOM 867 CA THR A 54 29.651 3.096 -25.115 1.00 0.00 C ATOM 868 C THR A 54 29.680 4.564 -25.644 1.00 0.00 C ATOM 869 O THR A 54 29.721 5.510 -24.842 1.00 0.00 O ATOM 870 CB THR A 54 30.983 2.737 -24.359 1.00 0.00 C ATOM 871 OG1 THR A 54 31.226 3.628 -23.256 1.00 0.00 O ATOM 872 CG2 THR A 54 32.201 2.739 -25.298 1.00 0.00 C ATOM 0 H THR A 54 30.265 1.667 -26.533 1.00 0.00 H new ATOM 0 HA THR A 54 28.813 3.045 -24.420 1.00 0.00 H new ATOM 0 HB THR A 54 30.847 1.727 -23.973 1.00 0.00 H new ATOM 0 HG1 THR A 54 30.856 4.512 -23.462 1.00 0.00 H new ATOM 0 HG21 THR A 54 33.097 2.486 -24.732 1.00 0.00 H new ATOM 0 HG22 THR A 54 32.052 2.004 -26.089 1.00 0.00 H new ATOM 0 HG23 THR A 54 32.318 3.729 -25.740 1.00 0.00 H new ATOM 880 N GLY A 55 29.652 4.746 -26.983 1.00 0.00 N ATOM 881 CA GLY A 55 29.624 6.093 -27.600 1.00 0.00 C ATOM 882 C GLY A 55 28.204 6.636 -27.759 1.00 0.00 C ATOM 883 O GLY A 55 27.280 6.168 -27.077 1.00 0.00 O ATOM 0 H GLY A 55 29.648 3.980 -27.656 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.206 6.782 -26.987 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.105 6.051 -28.577 1.00 0.00 H new ATOM 887 N THR A 56 28.017 7.637 -28.647 1.00 0.00 N ATOM 888 CA THR A 56 26.673 8.131 -29.012 1.00 0.00 C ATOM 889 C THR A 56 26.071 7.208 -30.091 1.00 0.00 C ATOM 890 O THR A 56 26.763 6.830 -31.041 1.00 0.00 O ATOM 891 CB THR A 56 26.685 9.628 -29.505 1.00 0.00 C ATOM 892 OG1 THR A 56 25.355 10.040 -29.862 1.00 0.00 O ATOM 893 CG2 THR A 56 27.631 9.874 -30.697 1.00 0.00 C ATOM 0 H THR A 56 28.780 8.118 -29.123 1.00 0.00 H new ATOM 0 HA THR A 56 26.055 8.111 -28.114 1.00 0.00 H new ATOM 0 HB THR A 56 27.061 10.221 -28.671 1.00 0.00 H new ATOM 0 HG1 THR A 56 25.372 10.972 -30.165 1.00 0.00 H new ATOM 0 HG21 THR A 56 27.589 10.925 -30.984 1.00 0.00 H new ATOM 0 HG22 THR A 56 28.651 9.616 -30.411 1.00 0.00 H new ATOM 0 HG23 THR A 56 27.323 9.255 -31.540 1.00 0.00 H new ATOM 901 N ASN A 57 24.781 6.854 -29.924 1.00 0.00 N ATOM 902 CA ASN A 57 24.071 5.863 -30.771 1.00 0.00 C ATOM 903 C ASN A 57 24.050 6.245 -32.249 1.00 0.00 C ATOM 904 O ASN A 57 23.903 5.369 -33.099 1.00 0.00 O ATOM 905 CB ASN A 57 22.630 5.641 -30.274 1.00 0.00 C ATOM 906 CG ASN A 57 22.544 4.965 -28.917 1.00 0.00 C ATOM 907 OD1 ASN A 57 23.423 5.115 -28.073 1.00 0.00 O ATOM 908 ND2 ASN A 57 21.478 4.216 -28.697 1.00 0.00 N ATOM 0 H ASN A 57 24.193 7.250 -29.191 1.00 0.00 H new ATOM 0 HA ASN A 57 24.636 4.935 -30.681 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.122 6.604 -30.222 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.093 5.036 -31.005 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.365 3.739 -27.802 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.768 4.114 -29.422 1.00 0.00 H new ATOM 915 N LYS A 58 24.160 7.550 -32.540 1.00 0.00 N ATOM 916 CA LYS A 58 24.325 8.056 -33.916 1.00 0.00 C ATOM 917 C LYS A 58 25.597 7.444 -34.553 1.00 0.00 C ATOM 918 O LYS A 58 25.533 6.779 -35.603 1.00 0.00 O ATOM 919 CB LYS A 58 24.401 9.605 -33.888 1.00 0.00 C ATOM 920 CG LYS A 58 24.437 10.283 -35.276 1.00 0.00 C ATOM 921 CD LYS A 58 24.601 11.820 -35.192 1.00 0.00 C ATOM 922 CE LYS A 58 25.916 12.245 -34.497 1.00 0.00 C ATOM 923 NZ LYS A 58 26.067 13.714 -34.438 1.00 0.00 N ATOM 0 H LYS A 58 24.137 8.284 -31.832 1.00 0.00 H new ATOM 0 HA LYS A 58 23.470 7.762 -34.524 1.00 0.00 H new ATOM 0 HB2 LYS A 58 23.541 9.986 -33.337 1.00 0.00 H new ATOM 0 HB3 LYS A 58 25.292 9.900 -33.333 1.00 0.00 H new ATOM 0 HG2 LYS A 58 25.260 9.866 -35.857 1.00 0.00 H new ATOM 0 HG3 LYS A 58 23.517 10.050 -35.813 1.00 0.00 H new ATOM 0 HD2 LYS A 58 24.575 12.239 -36.198 1.00 0.00 H new ATOM 0 HD3 LYS A 58 23.755 12.242 -34.649 1.00 0.00 H new ATOM 0 HE2 LYS A 58 25.938 11.838 -33.486 1.00 0.00 H new ATOM 0 HE3 LYS A 58 26.763 11.816 -35.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 26.962 13.952 -33.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 26.072 14.101 -35.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 25.273 14.123 -33.905 1.00 0.00 H new ATOM 937 N SER A 59 26.737 7.610 -33.853 1.00 0.00 N ATOM 938 CA SER A 59 28.038 7.076 -34.294 1.00 0.00 C ATOM 939 C SER A 59 28.066 5.544 -34.238 1.00 0.00 C ATOM 940 O SER A 59 28.758 4.925 -35.025 1.00 0.00 O ATOM 941 CB SER A 59 29.190 7.653 -33.442 1.00 0.00 C ATOM 942 OG SER A 59 29.207 9.069 -33.497 1.00 0.00 O ATOM 0 H SER A 59 26.780 8.117 -32.969 1.00 0.00 H new ATOM 0 HA SER A 59 28.177 7.384 -35.330 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.079 7.328 -32.408 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.142 7.261 -33.799 1.00 0.00 H new ATOM 0 HG SER A 59 29.944 9.409 -32.948 1.00 0.00 H new ATOM 948 N ILE A 60 27.301 4.934 -33.314 1.00 0.00 N ATOM 949 CA ILE A 60 27.312 3.470 -33.131 1.00 0.00 C ATOM 950 C ILE A 60 26.556 2.764 -34.280 1.00 0.00 C ATOM 951 O ILE A 60 27.042 1.779 -34.820 1.00 0.00 O ATOM 952 CB ILE A 60 26.706 3.059 -31.744 1.00 0.00 C ATOM 953 CG1 ILE A 60 27.460 3.762 -30.574 1.00 0.00 C ATOM 954 CG2 ILE A 60 26.727 1.521 -31.551 1.00 0.00 C ATOM 955 CD1 ILE A 60 26.741 3.691 -29.242 1.00 0.00 C ATOM 0 H ILE A 60 26.670 5.430 -32.685 1.00 0.00 H new ATOM 0 HA ILE A 60 28.353 3.147 -33.151 1.00 0.00 H new ATOM 0 HB ILE A 60 25.667 3.388 -31.733 1.00 0.00 H new ATOM 0 HG12 ILE A 60 28.446 3.309 -30.467 1.00 0.00 H new ATOM 0 HG13 ILE A 60 27.617 4.809 -30.834 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.300 1.270 -30.580 1.00 0.00 H new ATOM 0 HG22 ILE A 60 26.141 1.047 -32.338 1.00 0.00 H new ATOM 0 HG23 ILE A 60 27.755 1.162 -31.599 1.00 0.00 H new ATOM 0 HD11 ILE A 60 27.331 4.203 -28.482 1.00 0.00 H new ATOM 0 HD12 ILE A 60 25.766 4.171 -29.329 1.00 0.00 H new ATOM 0 HD13 ILE A 60 26.608 2.648 -28.956 1.00 0.00 H new ATOM 967 N ARG A 61 25.377 3.287 -34.659 1.00 0.00 N ATOM 968 CA ARG A 61 24.596 2.737 -35.797 1.00 0.00 C ATOM 969 C ARG A 61 25.328 3.027 -37.135 1.00 0.00 C ATOM 970 O ARG A 61 25.131 2.323 -38.129 1.00 0.00 O ATOM 971 CB ARG A 61 23.154 3.331 -35.799 1.00 0.00 C ATOM 972 CG ARG A 61 23.071 4.826 -36.190 1.00 0.00 C ATOM 973 CD ARG A 61 21.723 5.482 -35.864 1.00 0.00 C ATOM 974 NE ARG A 61 21.677 6.869 -36.385 1.00 0.00 N ATOM 975 CZ ARG A 61 21.183 7.941 -35.751 1.00 0.00 C ATOM 976 NH1 ARG A 61 20.685 7.850 -34.528 1.00 0.00 N ATOM 977 NH2 ARG A 61 21.253 9.128 -36.332 1.00 0.00 N ATOM 0 H ARG A 61 24.940 4.086 -34.201 1.00 0.00 H new ATOM 0 HA ARG A 61 24.512 1.656 -35.685 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.539 2.754 -36.490 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.722 3.205 -34.806 1.00 0.00 H new ATOM 0 HG2 ARG A 61 23.862 5.370 -35.675 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.261 4.923 -37.259 1.00 0.00 H new ATOM 0 HD2 ARG A 61 20.913 4.897 -36.300 1.00 0.00 H new ATOM 0 HD3 ARG A 61 21.567 5.488 -34.785 1.00 0.00 H new ATOM 0 HE ARG A 61 22.059 7.022 -37.318 1.00 0.00 H new ATOM 0 HH11 ARG A 61 20.672 6.950 -34.048 1.00 0.00 H new ATOM 0 HH12 ARG A 61 20.314 8.680 -34.065 1.00 0.00 H new ATOM 0 HH21 ARG A 61 21.680 9.220 -37.254 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.880 9.951 -35.858 1.00 0.00 H new ATOM 991 N LYS A 62 26.160 4.094 -37.123 1.00 0.00 N ATOM 992 CA LYS A 62 26.985 4.509 -38.273 1.00 0.00 C ATOM 993 C LYS A 62 28.236 3.604 -38.446 1.00 0.00 C ATOM 994 O LYS A 62 28.525 3.133 -39.547 1.00 0.00 O ATOM 995 CB LYS A 62 27.403 5.998 -38.074 1.00 0.00 C ATOM 996 CG LYS A 62 28.001 6.712 -39.303 1.00 0.00 C ATOM 997 CD LYS A 62 26.991 6.844 -40.472 1.00 0.00 C ATOM 998 CE LYS A 62 27.525 7.721 -41.621 1.00 0.00 C ATOM 999 NZ LYS A 62 28.795 7.200 -42.189 1.00 0.00 N ATOM 0 H LYS A 62 26.276 4.694 -36.306 1.00 0.00 H new ATOM 0 HA LYS A 62 26.397 4.405 -39.185 1.00 0.00 H new ATOM 0 HB2 LYS A 62 26.527 6.558 -37.746 1.00 0.00 H new ATOM 0 HB3 LYS A 62 28.132 6.043 -37.265 1.00 0.00 H new ATOM 0 HG2 LYS A 62 28.342 7.705 -39.010 1.00 0.00 H new ATOM 0 HG3 LYS A 62 28.877 6.162 -39.646 1.00 0.00 H new ATOM 0 HD2 LYS A 62 26.755 5.852 -40.857 1.00 0.00 H new ATOM 0 HD3 LYS A 62 26.061 7.270 -40.097 1.00 0.00 H new ATOM 0 HE2 LYS A 62 26.774 7.779 -42.409 1.00 0.00 H new ATOM 0 HE3 LYS A 62 27.683 8.736 -41.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 29.095 7.805 -42.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 29.530 7.201 -41.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 28.649 6.229 -42.532 1.00 0.00 H new ATOM 1013 N ASN A 63 28.960 3.355 -37.340 1.00 0.00 N ATOM 1014 CA ASN A 63 30.296 2.702 -37.364 1.00 0.00 C ATOM 1015 C ASN A 63 30.182 1.180 -37.182 1.00 0.00 C ATOM 1016 O ASN A 63 30.903 0.412 -37.831 1.00 0.00 O ATOM 1017 CB ASN A 63 31.227 3.301 -36.265 1.00 0.00 C ATOM 1018 CG ASN A 63 31.468 4.824 -36.371 1.00 0.00 C ATOM 1019 OD1 ASN A 63 31.714 5.494 -35.367 1.00 0.00 O ATOM 1020 ND2 ASN A 63 31.378 5.385 -37.564 1.00 0.00 N ATOM 0 H ASN A 63 28.642 3.598 -36.402 1.00 0.00 H new ATOM 0 HA ASN A 63 30.734 2.897 -38.343 1.00 0.00 H new ATOM 0 HB2 ASN A 63 30.796 3.084 -35.288 1.00 0.00 H new ATOM 0 HB3 ASN A 63 32.190 2.792 -36.309 1.00 0.00 H new ATOM 0 HD21 ASN A 63 31.513 6.391 -37.666 1.00 0.00 H new ATOM 0 HD22 ASN A 63 31.173 4.812 -38.383 1.00 0.00 H new ATOM 1027 N ARG A 64 29.290 0.752 -36.280 1.00 0.00 N ATOM 1028 CA ARG A 64 29.053 -0.688 -36.008 1.00 0.00 C ATOM 1029 C ARG A 64 28.035 -1.218 -37.018 1.00 0.00 C ATOM 1030 O ARG A 64 27.243 -0.453 -37.577 1.00 0.00 O ATOM 1031 CB ARG A 64 28.550 -0.966 -34.547 1.00 0.00 C ATOM 1032 CG ARG A 64 29.579 -0.713 -33.407 1.00 0.00 C ATOM 1033 CD ARG A 64 29.995 0.760 -33.285 1.00 0.00 C ATOM 1034 NE ARG A 64 30.875 1.012 -32.128 1.00 0.00 N ATOM 1035 CZ ARG A 64 32.031 1.694 -32.171 1.00 0.00 C ATOM 1036 NH1 ARG A 64 32.550 2.089 -33.329 1.00 0.00 N ATOM 1037 NH2 ARG A 64 32.682 1.951 -31.049 1.00 0.00 N ATOM 0 H ARG A 64 28.713 1.379 -35.719 1.00 0.00 H new ATOM 0 HA ARG A 64 30.008 -1.204 -36.108 1.00 0.00 H new ATOM 0 HB2 ARG A 64 27.674 -0.344 -34.362 1.00 0.00 H new ATOM 0 HB3 ARG A 64 28.222 -2.004 -34.489 1.00 0.00 H new ATOM 0 HG2 ARG A 64 29.151 -1.043 -32.460 1.00 0.00 H new ATOM 0 HG3 ARG A 64 30.466 -1.321 -33.585 1.00 0.00 H new ATOM 0 HD2 ARG A 64 30.507 1.065 -34.198 1.00 0.00 H new ATOM 0 HD3 ARG A 64 29.102 1.379 -33.198 1.00 0.00 H new ATOM 0 HE ARG A 64 30.582 0.639 -31.225 1.00 0.00 H new ATOM 0 HH11 ARG A 64 32.069 1.875 -34.203 1.00 0.00 H new ATOM 0 HH12 ARG A 64 33.429 2.606 -33.344 1.00 0.00 H new ATOM 0 HH21 ARG A 64 32.306 1.632 -30.156 1.00 0.00 H new ATOM 0 HH22 ARG A 64 33.560 2.469 -31.076 1.00 0.00 H new ATOM 1051 N ASN A 65 28.076 -2.533 -37.245 1.00 0.00 N ATOM 1052 CA ASN A 65 27.179 -3.226 -38.180 1.00 0.00 C ATOM 1053 C ASN A 65 26.001 -3.831 -37.416 1.00 0.00 C ATOM 1054 O ASN A 65 26.020 -3.882 -36.177 1.00 0.00 O ATOM 1055 CB ASN A 65 27.959 -4.335 -38.935 1.00 0.00 C ATOM 1056 CG ASN A 65 29.075 -3.809 -39.848 1.00 0.00 C ATOM 1057 OD1 ASN A 65 30.144 -4.416 -39.951 1.00 0.00 O ATOM 1058 ND2 ASN A 65 28.828 -2.711 -40.548 1.00 0.00 N ATOM 0 H ASN A 65 28.738 -3.155 -36.782 1.00 0.00 H new ATOM 0 HA ASN A 65 26.795 -2.511 -38.907 1.00 0.00 H new ATOM 0 HB2 ASN A 65 28.394 -5.019 -38.206 1.00 0.00 H new ATOM 0 HB3 ASN A 65 27.256 -4.913 -39.535 1.00 0.00 H new ATOM 0 HD21 ASN A 65 29.531 -2.348 -41.192 1.00 0.00 H new ATOM 0 HD22 ASN A 65 27.935 -2.229 -40.443 1.00 0.00 H new ATOM 1065 N CYS A 66 24.993 -4.311 -38.167 1.00 0.00 N ATOM 1066 CA CYS A 66 23.807 -4.965 -37.585 1.00 0.00 C ATOM 1067 C CYS A 66 24.213 -6.197 -36.751 1.00 0.00 C ATOM 1068 O CYS A 66 23.642 -6.434 -35.697 1.00 0.00 O ATOM 1069 CB CYS A 66 22.800 -5.351 -38.698 1.00 0.00 C ATOM 1070 SG CYS A 66 23.447 -6.503 -39.933 1.00 0.00 S ATOM 0 H CYS A 66 24.977 -4.257 -39.185 1.00 0.00 H new ATOM 0 HA CYS A 66 23.318 -4.258 -36.915 1.00 0.00 H new ATOM 0 HB2 CYS A 66 21.918 -5.793 -38.234 1.00 0.00 H new ATOM 0 HB3 CYS A 66 22.472 -4.443 -39.204 1.00 0.00 H new ATOM 0 HG CYS A 66 22.525 -6.759 -40.813 1.00 0.00 H new ATOM 1076 N SER A 67 25.255 -6.929 -37.224 1.00 0.00 N ATOM 1077 CA SER A 67 25.814 -8.130 -36.546 1.00 0.00 C ATOM 1078 C SER A 67 26.160 -7.878 -35.062 1.00 0.00 C ATOM 1079 O SER A 67 25.864 -8.718 -34.215 1.00 0.00 O ATOM 1080 CB SER A 67 27.070 -8.627 -37.291 1.00 0.00 C ATOM 1081 OG SER A 67 26.754 -9.006 -38.621 1.00 0.00 O ATOM 0 H SER A 67 25.735 -6.701 -38.094 1.00 0.00 H new ATOM 0 HA SER A 67 25.035 -8.892 -36.572 1.00 0.00 H new ATOM 0 HB2 SER A 67 27.825 -7.841 -37.302 1.00 0.00 H new ATOM 0 HB3 SER A 67 27.501 -9.476 -36.760 1.00 0.00 H new ATOM 0 HG SER A 67 27.566 -9.316 -39.074 1.00 0.00 H new ATOM 1087 N GLN A 68 26.774 -6.710 -34.770 1.00 0.00 N ATOM 1088 CA GLN A 68 27.145 -6.313 -33.386 1.00 0.00 C ATOM 1089 C GLN A 68 25.897 -6.213 -32.491 1.00 0.00 C ATOM 1090 O GLN A 68 25.894 -6.680 -31.352 1.00 0.00 O ATOM 1091 CB GLN A 68 27.900 -4.950 -33.390 1.00 0.00 C ATOM 1092 CG GLN A 68 29.373 -5.027 -33.838 1.00 0.00 C ATOM 1093 CD GLN A 68 30.281 -5.805 -32.861 1.00 0.00 C ATOM 1094 OE1 GLN A 68 30.021 -5.707 -31.550 1.00 0.00 O flip ATOM 1095 NE2 GLN A 68 31.239 -6.461 -33.277 1.00 0.00 N flip ATOM 0 H GLN A 68 27.026 -6.019 -35.477 1.00 0.00 H new ATOM 0 HA GLN A 68 27.804 -7.083 -32.984 1.00 0.00 H new ATOM 0 HB2 GLN A 68 27.371 -4.260 -34.047 1.00 0.00 H new ATOM 0 HB3 GLN A 68 27.862 -4.527 -32.386 1.00 0.00 H new ATOM 0 HG2 GLN A 68 29.421 -5.500 -34.819 1.00 0.00 H new ATOM 0 HG3 GLN A 68 29.762 -4.015 -33.953 1.00 0.00 H new ATOM 0 HE21 GLN A 68 31.418 -6.522 -34.279 1.00 0.00 H new ATOM 0 HE22 GLN A 68 31.852 -6.942 -32.619 1.00 0.00 H new ATOM 1104 N LEU A 69 24.851 -5.604 -33.054 1.00 0.00 N ATOM 1105 CA LEU A 69 23.587 -5.328 -32.359 1.00 0.00 C ATOM 1106 C LEU A 69 22.797 -6.627 -32.083 1.00 0.00 C ATOM 1107 O LEU A 69 22.251 -6.795 -30.989 1.00 0.00 O ATOM 1108 CB LEU A 69 22.751 -4.318 -33.196 1.00 0.00 C ATOM 1109 CG LEU A 69 23.156 -2.805 -33.099 1.00 0.00 C ATOM 1110 CD1 LEU A 69 24.625 -2.533 -33.499 1.00 0.00 C ATOM 1111 CD2 LEU A 69 22.195 -1.943 -33.937 1.00 0.00 C ATOM 0 H LEU A 69 24.856 -5.282 -34.022 1.00 0.00 H new ATOM 0 HA LEU A 69 23.806 -4.885 -31.387 1.00 0.00 H new ATOM 0 HB2 LEU A 69 22.807 -4.617 -34.243 1.00 0.00 H new ATOM 0 HB3 LEU A 69 21.708 -4.409 -32.894 1.00 0.00 H new ATOM 0 HG LEU A 69 23.074 -2.528 -32.048 1.00 0.00 H new ATOM 0 HD11 LEU A 69 24.835 -1.467 -33.408 1.00 0.00 H new ATOM 0 HD12 LEU A 69 25.291 -3.092 -32.841 1.00 0.00 H new ATOM 0 HD13 LEU A 69 24.786 -2.848 -34.530 1.00 0.00 H new ATOM 0 HD21 LEU A 69 22.486 -0.895 -33.862 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.239 -2.258 -34.980 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.178 -2.065 -33.564 1.00 0.00 H new ATOM 1123 N ILE A 70 22.760 -7.541 -33.079 1.00 0.00 N ATOM 1124 CA ILE A 70 22.063 -8.846 -32.954 1.00 0.00 C ATOM 1125 C ILE A 70 22.758 -9.690 -31.874 1.00 0.00 C ATOM 1126 O ILE A 70 22.113 -10.199 -30.962 1.00 0.00 O ATOM 1127 CB ILE A 70 22.070 -9.673 -34.300 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.635 -8.801 -35.513 1.00 0.00 C ATOM 1129 CG2 ILE A 70 21.168 -10.942 -34.180 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.982 -9.388 -36.876 1.00 0.00 C ATOM 0 H ILE A 70 23.207 -7.399 -33.985 1.00 0.00 H new ATOM 0 HA ILE A 70 21.027 -8.629 -32.693 1.00 0.00 H new ATOM 0 HB ILE A 70 23.096 -9.996 -34.478 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.557 -8.645 -35.463 1.00 0.00 H new ATOM 0 HG13 ILE A 70 22.103 -7.821 -35.425 1.00 0.00 H new ATOM 0 HG21 ILE A 70 21.190 -11.494 -35.120 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.540 -11.578 -33.377 1.00 0.00 H new ATOM 0 HG23 ILE A 70 20.144 -10.641 -33.960 1.00 0.00 H new ATOM 0 HD11 ILE A 70 21.641 -8.712 -37.661 1.00 0.00 H new ATOM 0 HD12 ILE A 70 23.062 -9.517 -36.952 1.00 0.00 H new ATOM 0 HD13 ILE A 70 21.492 -10.355 -36.991 1.00 0.00 H new ATOM 1142 N ALA A 71 24.092 -9.788 -32.007 1.00 0.00 N ATOM 1143 CA ALA A 71 24.963 -10.588 -31.126 1.00 0.00 C ATOM 1144 C ALA A 71 24.885 -10.115 -29.670 1.00 0.00 C ATOM 1145 O ALA A 71 24.857 -10.930 -28.749 1.00 0.00 O ATOM 1146 CB ALA A 71 26.411 -10.531 -31.636 1.00 0.00 C ATOM 0 H ALA A 71 24.606 -9.304 -32.744 1.00 0.00 H new ATOM 0 HA ALA A 71 24.613 -11.620 -31.150 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.051 -11.123 -30.982 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.456 -10.932 -32.648 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.755 -9.497 -31.640 1.00 0.00 H new ATOM 1152 N ALA A 72 24.841 -8.786 -29.491 1.00 0.00 N ATOM 1153 CA ALA A 72 24.724 -8.162 -28.163 1.00 0.00 C ATOM 1154 C ALA A 72 23.340 -8.436 -27.531 1.00 0.00 C ATOM 1155 O ALA A 72 23.264 -8.791 -26.356 1.00 0.00 O ATOM 1156 CB ALA A 72 24.996 -6.656 -28.263 1.00 0.00 C ATOM 0 H ALA A 72 24.885 -8.116 -30.259 1.00 0.00 H new ATOM 0 HA ALA A 72 25.472 -8.608 -27.508 1.00 0.00 H new ATOM 0 HB1 ALA A 72 24.907 -6.204 -27.275 1.00 0.00 H new ATOM 0 HB2 ALA A 72 26.003 -6.493 -28.647 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.272 -6.199 -28.938 1.00 0.00 H new ATOM 1162 N TYR A 73 22.258 -8.294 -28.337 1.00 0.00 N ATOM 1163 CA TYR A 73 20.863 -8.529 -27.871 1.00 0.00 C ATOM 1164 C TYR A 73 20.672 -10.005 -27.450 1.00 0.00 C ATOM 1165 O TYR A 73 20.064 -10.296 -26.406 1.00 0.00 O ATOM 1166 CB TYR A 73 19.834 -8.136 -28.972 1.00 0.00 C ATOM 1167 CG TYR A 73 18.364 -8.142 -28.494 1.00 0.00 C ATOM 1168 CD1 TYR A 73 17.811 -7.022 -27.866 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.537 -9.264 -28.652 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.506 -7.018 -27.414 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.223 -9.259 -28.205 1.00 0.00 C ATOM 1172 CZ TYR A 73 15.717 -8.134 -27.587 1.00 0.00 C ATOM 1173 OH TYR A 73 14.415 -8.123 -27.134 1.00 0.00 O ATOM 0 H TYR A 73 22.323 -8.017 -29.317 1.00 0.00 H new ATOM 0 HA TYR A 73 20.686 -7.896 -27.001 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.079 -7.142 -29.345 1.00 0.00 H new ATOM 0 HB3 TYR A 73 19.935 -8.825 -29.811 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.419 -6.139 -27.731 1.00 0.00 H new ATOM 0 HD2 TYR A 73 17.930 -10.149 -29.131 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.105 -6.142 -26.926 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.600 -10.131 -28.340 1.00 0.00 H new ATOM 0 HH TYR A 73 13.900 -8.813 -27.602 1.00 0.00 H new ATOM 1183 N LYS A 74 21.221 -10.919 -28.279 1.00 0.00 N ATOM 1184 CA LYS A 74 21.191 -12.370 -28.025 1.00 0.00 C ATOM 1185 C LYS A 74 21.917 -12.685 -26.717 1.00 0.00 C ATOM 1186 O LYS A 74 21.307 -13.198 -25.782 1.00 0.00 O ATOM 1187 CB LYS A 74 21.842 -13.162 -29.197 1.00 0.00 C ATOM 1188 CG LYS A 74 21.006 -13.181 -30.486 1.00 0.00 C ATOM 1189 CD LYS A 74 21.605 -14.090 -31.584 1.00 0.00 C ATOM 1190 CE LYS A 74 22.952 -13.582 -32.128 1.00 0.00 C ATOM 1191 NZ LYS A 74 23.507 -14.467 -33.185 1.00 0.00 N ATOM 0 H LYS A 74 21.698 -10.667 -29.145 1.00 0.00 H new ATOM 0 HA LYS A 74 20.149 -12.678 -27.946 1.00 0.00 H new ATOM 0 HB2 LYS A 74 22.817 -12.728 -29.416 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.015 -14.189 -28.875 1.00 0.00 H new ATOM 0 HG2 LYS A 74 19.997 -13.520 -30.252 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.920 -12.165 -30.871 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.739 -15.094 -31.181 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.895 -14.169 -32.407 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.822 -12.577 -32.530 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.667 -13.507 -31.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.414 -14.083 -33.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.657 -15.420 -32.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.839 -14.519 -33.980 1.00 0.00 H new ATOM 1205 N ASP A 75 23.204 -12.284 -26.656 1.00 0.00 N ATOM 1206 CA ASP A 75 24.086 -12.540 -25.498 1.00 0.00 C ATOM 1207 C ASP A 75 23.460 -12.017 -24.198 1.00 0.00 C ATOM 1208 O ASP A 75 23.601 -12.634 -23.159 1.00 0.00 O ATOM 1209 CB ASP A 75 25.474 -11.874 -25.706 1.00 0.00 C ATOM 1210 CG ASP A 75 26.453 -12.096 -24.525 1.00 0.00 C ATOM 1211 OD1 ASP A 75 27.071 -13.180 -24.454 1.00 0.00 O ATOM 1212 OD2 ASP A 75 26.587 -11.206 -23.655 1.00 0.00 O ATOM 0 H ASP A 75 23.662 -11.772 -27.410 1.00 0.00 H new ATOM 0 HA ASP A 75 24.213 -13.620 -25.417 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.923 -12.267 -26.618 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.335 -10.803 -25.855 1.00 0.00 H new ATOM 1217 N PHE A 76 22.748 -10.896 -24.304 1.00 0.00 N ATOM 1218 CA PHE A 76 22.124 -10.209 -23.167 1.00 0.00 C ATOM 1219 C PHE A 76 20.931 -11.013 -22.588 1.00 0.00 C ATOM 1220 O PHE A 76 20.837 -11.242 -21.359 1.00 0.00 O ATOM 1221 CB PHE A 76 21.675 -8.811 -23.649 1.00 0.00 C ATOM 1222 CG PHE A 76 21.282 -7.860 -22.549 1.00 0.00 C ATOM 1223 CD1 PHE A 76 22.137 -7.641 -21.471 1.00 0.00 C ATOM 1224 CD2 PHE A 76 20.073 -7.173 -22.590 1.00 0.00 C ATOM 1225 CE1 PHE A 76 21.792 -6.775 -20.468 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.731 -6.307 -21.587 1.00 0.00 C ATOM 1227 CZ PHE A 76 20.592 -6.106 -20.528 1.00 0.00 C ATOM 0 H PHE A 76 22.584 -10.429 -25.196 1.00 0.00 H new ATOM 0 HA PHE A 76 22.846 -10.116 -22.356 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.485 -8.363 -24.225 1.00 0.00 H new ATOM 0 HB3 PHE A 76 20.830 -8.930 -24.327 1.00 0.00 H new ATOM 0 HD1 PHE A 76 23.083 -8.160 -21.426 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.399 -7.324 -23.420 1.00 0.00 H new ATOM 0 HE1 PHE A 76 22.459 -6.618 -19.633 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.788 -5.782 -21.624 1.00 0.00 H new ATOM 0 HZ PHE A 76 20.322 -5.418 -19.740 1.00 0.00 H new ATOM 1237 N CYS A 77 20.038 -11.448 -23.490 1.00 0.00 N ATOM 1238 CA CYS A 77 18.850 -12.254 -23.129 1.00 0.00 C ATOM 1239 C CYS A 77 19.269 -13.637 -22.587 1.00 0.00 C ATOM 1240 O CYS A 77 18.637 -14.194 -21.681 1.00 0.00 O ATOM 1241 CB CYS A 77 17.922 -12.402 -24.351 1.00 0.00 C ATOM 1242 SG CYS A 77 16.384 -13.270 -23.997 1.00 0.00 S ATOM 0 H CYS A 77 20.114 -11.254 -24.489 1.00 0.00 H new ATOM 0 HA CYS A 77 18.306 -11.738 -22.338 1.00 0.00 H new ATOM 0 HB2 CYS A 77 17.688 -11.411 -24.739 1.00 0.00 H new ATOM 0 HB3 CYS A 77 18.456 -12.935 -25.138 1.00 0.00 H new ATOM 0 HG CYS A 77 15.669 -13.345 -25.080 1.00 0.00 H new ATOM 1248 N GLU A 78 20.375 -14.152 -23.140 1.00 0.00 N ATOM 1249 CA GLU A 78 20.984 -15.429 -22.731 1.00 0.00 C ATOM 1250 C GLU A 78 21.853 -15.248 -21.473 1.00 0.00 C ATOM 1251 O GLU A 78 22.140 -16.217 -20.766 1.00 0.00 O ATOM 1252 CB GLU A 78 21.836 -15.982 -23.897 1.00 0.00 C ATOM 1253 CG GLU A 78 21.049 -16.212 -25.205 1.00 0.00 C ATOM 1254 CD GLU A 78 20.053 -17.379 -25.124 1.00 0.00 C ATOM 1255 OE1 GLU A 78 20.470 -18.539 -25.331 1.00 0.00 O ATOM 1256 OE2 GLU A 78 18.852 -17.150 -24.853 1.00 0.00 O ATOM 0 H GLU A 78 20.881 -13.688 -23.895 1.00 0.00 H new ATOM 0 HA GLU A 78 20.192 -16.137 -22.489 1.00 0.00 H new ATOM 0 HB2 GLU A 78 22.653 -15.288 -24.095 1.00 0.00 H new ATOM 0 HB3 GLU A 78 22.287 -16.925 -23.587 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.508 -15.300 -25.459 1.00 0.00 H new ATOM 0 HG3 GLU A 78 21.753 -16.401 -26.015 1.00 0.00 H new ATOM 1263 N HIS A 79 22.286 -13.999 -21.223 1.00 0.00 N ATOM 1264 CA HIS A 79 23.061 -13.628 -20.013 1.00 0.00 C ATOM 1265 C HIS A 79 22.151 -13.702 -18.780 1.00 0.00 C ATOM 1266 O HIS A 79 22.608 -14.057 -17.688 1.00 0.00 O ATOM 1267 CB HIS A 79 23.689 -12.194 -20.147 1.00 0.00 C ATOM 1268 CG HIS A 79 25.137 -12.091 -19.753 1.00 0.00 C ATOM 1269 ND1 HIS A 79 26.145 -11.748 -20.640 1.00 0.00 N ATOM 1270 CD2 HIS A 79 25.745 -12.271 -18.556 1.00 0.00 C ATOM 1271 CE1 HIS A 79 27.299 -11.719 -20.003 1.00 0.00 C ATOM 1272 NE2 HIS A 79 27.086 -12.032 -18.740 1.00 0.00 N ATOM 0 H HIS A 79 22.111 -13.214 -21.851 1.00 0.00 H new ATOM 0 HA HIS A 79 23.884 -14.334 -19.902 1.00 0.00 H new ATOM 0 HB2 HIS A 79 23.586 -11.864 -21.181 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.112 -11.503 -19.533 1.00 0.00 H new ATOM 0 HD1 HIS A 79 26.014 -11.549 -21.632 1.00 0.00 H new ATOM 0 HD2 HIS A 79 25.265 -12.550 -17.630 1.00 0.00 H new ATOM 0 HE1 HIS A 79 28.256 -11.479 -20.441 1.00 0.00 H new ATOM 1281 N GLY A 80 20.861 -13.347 -18.967 1.00 0.00 N ATOM 1282 CA GLY A 80 19.882 -13.459 -17.871 1.00 0.00 C ATOM 1283 C GLY A 80 19.766 -12.161 -17.095 1.00 0.00 C ATOM 1284 O GLY A 80 19.805 -12.173 -15.858 1.00 0.00 O ATOM 0 H GLY A 80 20.483 -12.990 -19.844 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.908 -13.729 -18.278 1.00 0.00 H new ATOM 0 HA3 GLY A 80 20.179 -14.262 -17.197 1.00 0.00 H new