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= -0.126 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 63 ASN :FLIP amide:sc= -0.0408 F(o=-1.8!,f=-0.041) USER MOD Set 3.1: A 33 ASN :FLIP amide:sc= 0 F(o=-2.5,f=-1.2) USER MOD Set 3.2: A 37 THR OG1 : rot 73:sc= 1.2 USER MOD Set 3.3: A 40 GLN :FLIP amide:sc= -1.26 F(o=-1.9!,f=-1.2) USER MOD Set 3.4: A 57 ASN :FLIP amide:sc= -1.11! F(o=-1.9,f=-1.2!) USER MOD Single : A 13 MET CE :methyl -169:sc= 0 (180deg=-0.15) USER MOD Single : A 15 CYS SG : rot 47:sc= -0.0778 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.0235 X(o=-0.023,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.052 X(o=-0.052,f=-0.17) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -71:sc= 1.2 USER MOD Single : A 32 LYS NZ :NH3+ 155:sc= 0.648 (180deg=0.344) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 150:sc= 1.39 (180deg=1.25) USER MOD Single : A 42 ASN : amide:sc= 0.773 K(o=0.77,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=-0.00032) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 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 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0514 F(o=-1.8!,f=-0.051) USER MOD Single : A 68 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.055) USER MOD Single : A 73 TYR OH : rot 156:sc= 1.24 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 148:sc= 0.286 USER MOD Single : A 79 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 194 N MET A 13 10.602 -1.381 -22.017 1.00 0.00 N ATOM 195 CA MET A 13 10.508 -1.049 -23.452 1.00 0.00 C ATOM 196 C MET A 13 11.209 -2.102 -24.324 1.00 0.00 C ATOM 197 O MET A 13 12.181 -2.708 -23.889 1.00 0.00 O ATOM 198 CB MET A 13 11.156 0.337 -23.746 1.00 0.00 C ATOM 199 CG MET A 13 12.643 0.469 -23.333 1.00 0.00 C ATOM 200 SD MET A 13 13.571 1.645 -24.355 1.00 0.00 S ATOM 201 CE MET A 13 13.781 0.697 -25.864 1.00 0.00 C ATOM 0 HA MET A 13 9.446 -1.026 -23.697 1.00 0.00 H new ATOM 0 HB2 MET A 13 11.072 0.541 -24.814 1.00 0.00 H new ATOM 0 HB3 MET A 13 10.582 1.106 -23.229 1.00 0.00 H new ATOM 0 HG2 MET A 13 12.697 0.783 -22.291 1.00 0.00 H new ATOM 0 HG3 MET A 13 13.118 -0.510 -23.396 1.00 0.00 H new ATOM 0 HE1 MET A 13 14.495 1.202 -26.515 1.00 0.00 H new ATOM 0 HE2 MET A 13 14.153 -0.298 -25.620 1.00 0.00 H new ATOM 0 HE3 MET A 13 12.822 0.610 -26.375 1.00 0.00 H new ATOM 211 N GLY A 14 10.673 -2.309 -25.538 1.00 0.00 N ATOM 212 CA GLY A 14 11.362 -3.027 -26.610 1.00 0.00 C ATOM 213 C GLY A 14 11.816 -4.447 -26.284 1.00 0.00 C ATOM 214 O GLY A 14 12.957 -4.817 -26.570 1.00 0.00 O ATOM 0 H GLY A 14 9.744 -1.979 -25.799 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.700 -3.069 -27.475 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.236 -2.447 -26.905 1.00 0.00 H new ATOM 218 N CYS A 15 10.942 -5.248 -25.676 1.00 0.00 N ATOM 219 CA CYS A 15 11.223 -6.679 -25.454 1.00 0.00 C ATOM 220 C CYS A 15 10.895 -7.467 -26.744 1.00 0.00 C ATOM 221 O CYS A 15 9.781 -7.988 -26.919 1.00 0.00 O ATOM 222 CB CYS A 15 10.425 -7.196 -24.242 1.00 0.00 C ATOM 223 SG CYS A 15 8.656 -6.892 -24.352 1.00 0.00 S ATOM 0 H CYS A 15 10.035 -4.939 -25.327 1.00 0.00 H new ATOM 0 HA CYS A 15 12.279 -6.822 -25.227 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.594 -8.268 -24.138 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.809 -6.724 -23.338 1.00 0.00 H new ATOM 0 HG CYS A 15 8.229 -7.234 -25.531 1.00 0.00 H new ATOM 229 N TRP A 16 11.865 -7.487 -27.686 1.00 0.00 N ATOM 230 CA TRP A 16 11.703 -8.146 -28.999 1.00 0.00 C ATOM 231 C TRP A 16 12.198 -9.601 -28.927 1.00 0.00 C ATOM 232 O TRP A 16 12.866 -10.001 -27.963 1.00 0.00 O ATOM 233 CB TRP A 16 12.484 -7.381 -30.116 1.00 0.00 C ATOM 234 CG TRP A 16 12.304 -5.876 -30.091 1.00 0.00 C ATOM 235 CD1 TRP A 16 11.185 -5.160 -30.426 1.00 0.00 C ATOM 236 CD2 TRP A 16 13.288 -4.906 -29.699 1.00 0.00 C ATOM 237 NE1 TRP A 16 11.411 -3.821 -30.247 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.695 -3.643 -29.803 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.609 -4.990 -29.259 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.377 -2.471 -29.476 1.00 0.00 C ATOM 241 CZ3 TRP A 16 15.285 -3.829 -28.941 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.666 -2.581 -29.049 1.00 0.00 C ATOM 0 H TRP A 16 12.777 -7.049 -27.557 1.00 0.00 H new ATOM 0 HA TRP A 16 10.642 -8.134 -29.250 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.546 -7.609 -30.020 1.00 0.00 H new ATOM 0 HB3 TRP A 16 12.164 -7.756 -31.088 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.259 -5.589 -30.780 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.734 -3.077 -30.417 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.096 -5.950 -29.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 12.898 -1.506 -29.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.309 -3.886 -28.603 1.00 0.00 H new ATOM 0 HH2 TRP A 16 15.218 -1.690 -28.790 1.00 0.00 H new ATOM 253 N SER A 17 11.834 -10.395 -29.942 1.00 0.00 N ATOM 254 CA SER A 17 12.441 -11.710 -30.178 1.00 0.00 C ATOM 255 C SER A 17 13.760 -11.520 -30.945 1.00 0.00 C ATOM 256 O SER A 17 13.972 -10.463 -31.561 1.00 0.00 O ATOM 257 CB SER A 17 11.462 -12.603 -30.971 1.00 0.00 C ATOM 258 OG SER A 17 10.207 -12.691 -30.310 1.00 0.00 O ATOM 0 H SER A 17 11.114 -10.145 -30.620 1.00 0.00 H new ATOM 0 HA SER A 17 12.653 -12.202 -29.229 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.322 -12.196 -31.973 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.887 -13.600 -31.088 1.00 0.00 H new ATOM 0 HG SER A 17 9.602 -13.260 -30.831 1.00 0.00 H new ATOM 264 N ILE A 18 14.637 -12.536 -30.909 1.00 0.00 N ATOM 265 CA ILE A 18 15.955 -12.482 -31.577 1.00 0.00 C ATOM 266 C ILE A 18 15.791 -12.247 -33.094 1.00 0.00 C ATOM 267 O ILE A 18 16.459 -11.382 -33.668 1.00 0.00 O ATOM 268 CB ILE A 18 16.792 -13.796 -31.341 1.00 0.00 C ATOM 269 CG1 ILE A 18 16.993 -14.085 -29.813 1.00 0.00 C ATOM 270 CG2 ILE A 18 18.151 -13.743 -32.092 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.625 -12.964 -29.012 1.00 0.00 C ATOM 0 H ILE A 18 14.458 -13.414 -30.421 1.00 0.00 H new ATOM 0 HA ILE A 18 16.497 -11.647 -31.134 1.00 0.00 H new ATOM 0 HB ILE A 18 16.219 -14.626 -31.755 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.023 -14.318 -29.375 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.612 -14.976 -29.708 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.704 -14.664 -31.909 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.972 -13.634 -33.162 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.732 -12.893 -31.733 1.00 0.00 H new ATOM 0 HD11 ILE A 18 17.717 -13.269 -27.970 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.613 -12.742 -29.414 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.999 -12.074 -29.075 1.00 0.00 H new ATOM 283 N GLU A 19 14.869 -13.010 -33.717 1.00 0.00 N ATOM 284 CA GLU A 19 14.609 -12.917 -35.161 1.00 0.00 C ATOM 285 C GLU A 19 13.896 -11.605 -35.528 1.00 0.00 C ATOM 286 O GLU A 19 14.049 -11.118 -36.646 1.00 0.00 O ATOM 287 CB GLU A 19 13.857 -14.164 -35.695 1.00 0.00 C ATOM 288 CG GLU A 19 14.707 -15.452 -35.666 1.00 0.00 C ATOM 289 CD GLU A 19 14.021 -16.667 -36.323 1.00 0.00 C ATOM 290 OE1 GLU A 19 13.151 -17.300 -35.683 1.00 0.00 O ATOM 291 OE2 GLU A 19 14.344 -16.987 -37.489 1.00 0.00 O ATOM 0 H GLU A 19 14.292 -13.700 -33.236 1.00 0.00 H new ATOM 0 HA GLU A 19 15.577 -12.899 -35.662 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.957 -14.318 -35.100 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.534 -13.974 -36.719 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.653 -15.263 -36.173 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.944 -15.696 -34.630 1.00 0.00 H new ATOM 298 N HIS A 20 13.151 -11.000 -34.577 1.00 0.00 N ATOM 299 CA HIS A 20 12.565 -9.659 -34.797 1.00 0.00 C ATOM 300 C HIS A 20 13.700 -8.632 -34.905 1.00 0.00 C ATOM 301 O HIS A 20 13.744 -7.856 -35.848 1.00 0.00 O ATOM 302 CB HIS A 20 11.580 -9.243 -33.669 1.00 0.00 C ATOM 303 CG HIS A 20 10.837 -7.955 -33.961 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.554 -7.924 -34.468 1.00 0.00 N ATOM 305 CD2 HIS A 20 11.214 -6.652 -33.850 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.182 -6.673 -34.663 1.00 0.00 C ATOM 307 NE2 HIS A 20 10.168 -5.884 -34.297 1.00 0.00 N ATOM 0 H HIS A 20 12.944 -11.409 -33.666 1.00 0.00 H new ATOM 0 HA HIS A 20 11.988 -9.694 -35.721 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.857 -10.044 -33.515 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.134 -9.131 -32.737 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.161 -6.289 -33.479 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.229 -6.352 -35.057 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.157 -4.865 -34.339 1.00 0.00 H new ATOM 316 N VAL A 21 14.627 -8.680 -33.935 1.00 0.00 N ATOM 317 CA VAL A 21 15.790 -7.782 -33.879 1.00 0.00 C ATOM 318 C VAL A 21 16.598 -7.858 -35.183 1.00 0.00 C ATOM 319 O VAL A 21 16.722 -6.862 -35.873 1.00 0.00 O ATOM 320 CB VAL A 21 16.700 -8.118 -32.636 1.00 0.00 C ATOM 321 CG1 VAL A 21 18.083 -7.417 -32.700 1.00 0.00 C ATOM 322 CG2 VAL A 21 15.964 -7.753 -31.335 1.00 0.00 C ATOM 0 H VAL A 21 14.590 -9.347 -33.164 1.00 0.00 H new ATOM 0 HA VAL A 21 15.425 -6.761 -33.764 1.00 0.00 H new ATOM 0 HB VAL A 21 16.895 -9.190 -32.655 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.667 -7.684 -31.819 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.612 -7.737 -33.597 1.00 0.00 H new ATOM 0 HG13 VAL A 21 17.942 -6.336 -32.728 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.598 -7.988 -30.480 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.733 -6.688 -31.334 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.038 -8.325 -31.268 1.00 0.00 H new ATOM 332 N GLU A 22 17.057 -9.071 -35.544 1.00 0.00 N ATOM 333 CA GLU A 22 17.976 -9.265 -36.680 1.00 0.00 C ATOM 334 C GLU A 22 17.322 -8.907 -38.027 1.00 0.00 C ATOM 335 O GLU A 22 17.923 -8.193 -38.834 1.00 0.00 O ATOM 336 CB GLU A 22 18.542 -10.713 -36.696 1.00 0.00 C ATOM 337 CG GLU A 22 17.516 -11.827 -36.916 1.00 0.00 C ATOM 338 CD GLU A 22 18.124 -13.239 -36.913 1.00 0.00 C ATOM 339 OE1 GLU A 22 18.679 -13.656 -37.958 1.00 0.00 O ATOM 340 OE2 GLU A 22 18.041 -13.943 -35.876 1.00 0.00 O ATOM 0 H GLU A 22 16.805 -9.934 -35.063 1.00 0.00 H new ATOM 0 HA GLU A 22 18.808 -8.575 -36.541 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.296 -10.779 -37.480 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.050 -10.895 -35.749 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.756 -11.767 -36.137 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.011 -11.661 -37.868 1.00 0.00 H new ATOM 347 N GLN A 23 16.071 -9.364 -38.237 1.00 0.00 N ATOM 348 CA GLN A 23 15.373 -9.210 -39.532 1.00 0.00 C ATOM 349 C GLN A 23 14.831 -7.784 -39.722 1.00 0.00 C ATOM 350 O GLN A 23 14.640 -7.341 -40.856 1.00 0.00 O ATOM 351 CB GLN A 23 14.231 -10.250 -39.656 1.00 0.00 C ATOM 352 CG GLN A 23 14.702 -11.728 -39.602 1.00 0.00 C ATOM 353 CD GLN A 23 15.723 -12.110 -40.686 1.00 0.00 C ATOM 354 OE1 GLN A 23 15.680 -11.610 -41.811 1.00 0.00 O ATOM 355 NE2 GLN A 23 16.654 -12.998 -40.350 1.00 0.00 N ATOM 0 H GLN A 23 15.521 -9.844 -37.525 1.00 0.00 H new ATOM 0 HA GLN A 23 16.101 -9.389 -40.323 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.513 -10.081 -38.854 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.704 -10.083 -40.596 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.141 -11.921 -38.623 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.832 -12.377 -39.695 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.665 -13.395 -39.411 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.358 -13.282 -41.032 1.00 0.00 H new ATOM 364 N TYR A 24 14.578 -7.074 -38.609 1.00 0.00 N ATOM 365 CA TYR A 24 14.042 -5.696 -38.643 1.00 0.00 C ATOM 366 C TYR A 24 15.134 -4.645 -38.350 1.00 0.00 C ATOM 367 O TYR A 24 14.853 -3.451 -38.452 1.00 0.00 O ATOM 368 CB TYR A 24 12.851 -5.540 -37.652 1.00 0.00 C ATOM 369 CG TYR A 24 11.556 -6.286 -38.036 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.505 -7.683 -38.116 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.375 -5.586 -38.309 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.337 -8.344 -38.453 1.00 0.00 C ATOM 373 CE2 TYR A 24 9.208 -6.245 -38.641 1.00 0.00 C ATOM 374 CZ TYR A 24 9.192 -7.621 -38.714 1.00 0.00 C ATOM 375 OH TYR A 24 8.020 -8.275 -39.040 1.00 0.00 O ATOM 0 H TYR A 24 14.736 -7.432 -37.667 1.00 0.00 H new ATOM 0 HA TYR A 24 13.679 -5.516 -39.655 1.00 0.00 H new ATOM 0 HB2 TYR A 24 13.172 -5.889 -36.670 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.621 -4.479 -37.554 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.396 -8.257 -37.910 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.377 -4.507 -38.259 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.322 -9.422 -38.511 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.308 -5.683 -38.843 1.00 0.00 H new ATOM 0 HH TYR A 24 7.310 -7.617 -39.192 1.00 0.00 H new ATOM 385 N LEU A 25 16.366 -5.070 -37.981 1.00 0.00 N ATOM 386 CA LEU A 25 17.498 -4.132 -37.780 1.00 0.00 C ATOM 387 C LEU A 25 17.823 -3.404 -39.090 1.00 0.00 C ATOM 388 O LEU A 25 18.256 -4.026 -40.062 1.00 0.00 O ATOM 389 CB LEU A 25 18.775 -4.854 -37.207 1.00 0.00 C ATOM 390 CG LEU A 25 19.025 -4.674 -35.672 1.00 0.00 C ATOM 391 CD1 LEU A 25 20.255 -5.468 -35.207 1.00 0.00 C ATOM 392 CD2 LEU A 25 19.165 -3.185 -35.297 1.00 0.00 C ATOM 0 H LEU A 25 16.601 -6.049 -37.817 1.00 0.00 H new ATOM 0 HA LEU A 25 17.189 -3.399 -37.035 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.694 -5.920 -37.421 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.649 -4.487 -37.744 1.00 0.00 H new ATOM 0 HG LEU A 25 18.152 -5.072 -35.154 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.400 -5.321 -34.137 1.00 0.00 H new ATOM 0 HD12 LEU A 25 20.102 -6.528 -35.410 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.137 -5.119 -35.744 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.338 -3.095 -34.225 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.006 -2.751 -35.838 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.250 -2.655 -35.563 1.00 0.00 H new ATOM 404 N GLY A 26 17.598 -2.083 -39.092 1.00 0.00 N ATOM 405 CA GLY A 26 17.858 -1.231 -40.258 1.00 0.00 C ATOM 406 C GLY A 26 16.585 -0.723 -40.932 1.00 0.00 C ATOM 407 O GLY A 26 16.663 0.096 -41.857 1.00 0.00 O ATOM 0 H GLY A 26 17.231 -1.577 -38.286 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.462 -0.378 -39.948 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.447 -1.791 -40.985 1.00 0.00 H new ATOM 411 N THR A 27 15.411 -1.203 -40.474 1.00 0.00 N ATOM 412 CA THR A 27 14.105 -0.795 -41.034 1.00 0.00 C ATOM 413 C THR A 27 13.533 0.392 -40.241 1.00 0.00 C ATOM 414 O THR A 27 14.024 0.717 -39.150 1.00 0.00 O ATOM 415 CB THR A 27 13.068 -1.976 -41.020 1.00 0.00 C ATOM 416 OG1 THR A 27 12.638 -2.260 -39.677 1.00 0.00 O ATOM 417 CG2 THR A 27 13.650 -3.259 -41.654 1.00 0.00 C ATOM 0 H THR A 27 15.340 -1.878 -39.713 1.00 0.00 H new ATOM 0 HA THR A 27 14.275 -0.502 -42.070 1.00 0.00 H new ATOM 0 HB THR A 27 12.213 -1.656 -41.616 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.370 -2.684 -39.182 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.902 -4.051 -41.625 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.927 -3.060 -42.689 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.532 -3.573 -41.096 1.00 0.00 H new ATOM 425 N ASP A 28 12.478 1.018 -40.792 1.00 0.00 N ATOM 426 CA ASP A 28 11.739 2.106 -40.124 1.00 0.00 C ATOM 427 C ASP A 28 11.043 1.593 -38.837 1.00 0.00 C ATOM 428 O ASP A 28 10.847 2.350 -37.879 1.00 0.00 O ATOM 429 CB ASP A 28 10.687 2.695 -41.098 1.00 0.00 C ATOM 430 CG ASP A 28 9.908 3.889 -40.508 1.00 0.00 C ATOM 431 OD1 ASP A 28 10.478 4.995 -40.414 1.00 0.00 O ATOM 432 OD2 ASP A 28 8.728 3.725 -40.130 1.00 0.00 O ATOM 0 H ASP A 28 12.112 0.784 -41.715 1.00 0.00 H new ATOM 0 HA ASP A 28 12.447 2.884 -39.840 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.187 3.013 -42.013 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.982 1.912 -41.376 1.00 0.00 H new ATOM 437 N GLU A 29 10.705 0.297 -38.841 1.00 0.00 N ATOM 438 CA GLU A 29 9.996 -0.383 -37.742 1.00 0.00 C ATOM 439 C GLU A 29 10.927 -0.562 -36.535 1.00 0.00 C ATOM 440 O GLU A 29 10.541 -0.298 -35.389 1.00 0.00 O ATOM 441 CB GLU A 29 9.480 -1.757 -38.250 1.00 0.00 C ATOM 442 CG GLU A 29 8.635 -1.650 -39.534 1.00 0.00 C ATOM 443 CD GLU A 29 8.162 -3.009 -40.065 1.00 0.00 C ATOM 444 OE1 GLU A 29 8.923 -3.664 -40.809 1.00 0.00 O ATOM 445 OE2 GLU A 29 7.028 -3.420 -39.740 1.00 0.00 O ATOM 0 H GLU A 29 10.920 -0.323 -39.622 1.00 0.00 H new ATOM 0 HA GLU A 29 9.149 0.223 -37.421 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.331 -2.411 -38.436 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.883 -2.226 -37.468 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.766 -1.022 -39.337 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.221 -1.150 -40.305 1.00 0.00 H new ATOM 452 N LEU A 30 12.171 -0.982 -36.815 1.00 0.00 N ATOM 453 CA LEU A 30 13.187 -1.234 -35.781 1.00 0.00 C ATOM 454 C LEU A 30 14.522 -0.598 -36.236 1.00 0.00 C ATOM 455 O LEU A 30 15.309 -1.231 -36.948 1.00 0.00 O ATOM 456 CB LEU A 30 13.295 -2.775 -35.525 1.00 0.00 C ATOM 457 CG LEU A 30 14.015 -3.277 -34.222 1.00 0.00 C ATOM 458 CD1 LEU A 30 15.555 -3.274 -34.331 1.00 0.00 C ATOM 459 CD2 LEU A 30 13.546 -2.467 -33.006 1.00 0.00 C ATOM 0 H LEU A 30 12.501 -1.156 -37.764 1.00 0.00 H new ATOM 0 HA LEU A 30 12.912 -0.776 -34.831 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.283 -3.180 -35.520 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.811 -3.216 -36.378 1.00 0.00 H new ATOM 0 HG LEU A 30 13.728 -4.320 -34.090 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.987 -3.632 -33.396 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.863 -3.928 -35.147 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.904 -2.260 -34.527 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.054 -2.827 -32.111 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.781 -1.414 -33.158 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.469 -2.584 -32.884 1.00 0.00 H new ATOM 471 N PRO A 31 14.765 0.705 -35.894 1.00 0.00 N ATOM 472 CA PRO A 31 16.054 1.360 -36.174 1.00 0.00 C ATOM 473 C PRO A 31 17.176 0.820 -35.264 1.00 0.00 C ATOM 474 O PRO A 31 16.919 0.378 -34.129 1.00 0.00 O ATOM 475 CB PRO A 31 15.769 2.864 -35.918 1.00 0.00 C ATOM 476 CG PRO A 31 14.639 2.874 -34.931 1.00 0.00 C ATOM 477 CD PRO A 31 13.803 1.642 -35.237 1.00 0.00 C ATOM 0 HA PRO A 31 16.409 1.173 -37.187 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.648 3.371 -35.520 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.495 3.378 -36.839 1.00 0.00 H new ATOM 0 HG2 PRO A 31 15.014 2.846 -33.908 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.045 3.783 -35.028 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.382 1.210 -34.329 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.967 1.880 -35.894 1.00 0.00 H new ATOM 485 N LYS A 32 18.419 0.853 -35.785 1.00 0.00 N ATOM 486 CA LYS A 32 19.630 0.466 -35.038 1.00 0.00 C ATOM 487 C LYS A 32 19.758 1.289 -33.745 1.00 0.00 C ATOM 488 O LYS A 32 20.148 0.753 -32.710 1.00 0.00 O ATOM 489 CB LYS A 32 20.889 0.622 -35.940 1.00 0.00 C ATOM 490 CG LYS A 32 20.947 -0.387 -37.113 1.00 0.00 C ATOM 491 CD LYS A 32 22.213 -0.229 -37.990 1.00 0.00 C ATOM 492 CE LYS A 32 22.157 0.987 -38.930 1.00 0.00 C ATOM 493 NZ LYS A 32 23.377 1.087 -39.771 1.00 0.00 N ATOM 0 H LYS A 32 18.611 1.151 -36.742 1.00 0.00 H new ATOM 0 HA LYS A 32 19.547 -0.582 -34.751 1.00 0.00 H new ATOM 0 HB2 LYS A 32 20.913 1.635 -36.343 1.00 0.00 H new ATOM 0 HB3 LYS A 32 21.781 0.502 -35.326 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.913 -1.401 -36.714 1.00 0.00 H new ATOM 0 HG3 LYS A 32 20.062 -0.260 -37.737 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.085 -0.139 -37.343 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.349 -1.132 -38.584 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.278 0.912 -39.571 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.045 1.897 -38.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.156 1.610 -40.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.121 1.589 -39.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 23.710 0.132 -40.015 1.00 0.00 H new ATOM 507 N ASN A 33 19.361 2.578 -33.830 1.00 0.00 N ATOM 508 CA ASN A 33 19.280 3.503 -32.673 1.00 0.00 C ATOM 509 C ASN A 33 18.537 2.865 -31.485 1.00 0.00 C ATOM 510 O ASN A 33 19.085 2.754 -30.394 1.00 0.00 O ATOM 511 CB ASN A 33 18.545 4.809 -33.090 1.00 0.00 C ATOM 512 CG ASN A 33 18.347 5.829 -31.954 1.00 0.00 C ATOM 513 OD1 ASN A 33 19.361 6.037 -31.121 1.00 0.00 O flip ATOM 514 ND2 ASN A 33 17.299 6.469 -31.860 1.00 0.00 N flip ATOM 0 H ASN A 33 19.085 3.011 -34.711 1.00 0.00 H new ATOM 0 HA ASN A 33 20.300 3.728 -32.360 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.107 5.285 -33.893 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.569 4.546 -33.497 1.00 0.00 H new ATOM 0 HD21 ASN A 33 16.534 6.292 -32.511 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.197 7.176 -31.132 1.00 0.00 H new ATOM 521 N ASP A 34 17.299 2.412 -31.753 1.00 0.00 N ATOM 522 CA ASP A 34 16.353 1.909 -30.728 1.00 0.00 C ATOM 523 C ASP A 34 16.864 0.615 -30.054 1.00 0.00 C ATOM 524 O ASP A 34 16.682 0.422 -28.842 1.00 0.00 O ATOM 525 CB ASP A 34 14.959 1.694 -31.384 1.00 0.00 C ATOM 526 CG ASP A 34 13.849 1.182 -30.438 1.00 0.00 C ATOM 527 OD1 ASP A 34 13.818 1.571 -29.253 1.00 0.00 O ATOM 528 OD2 ASP A 34 12.962 0.434 -30.906 1.00 0.00 O ATOM 0 H ASP A 34 16.918 2.383 -32.699 1.00 0.00 H new ATOM 0 HA ASP A 34 16.268 2.653 -29.936 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.633 2.638 -31.820 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.069 0.985 -32.204 1.00 0.00 H new ATOM 533 N LEU A 35 17.528 -0.244 -30.848 1.00 0.00 N ATOM 534 CA LEU A 35 18.161 -1.486 -30.350 1.00 0.00 C ATOM 535 C LEU A 35 19.256 -1.128 -29.316 1.00 0.00 C ATOM 536 O LEU A 35 19.202 -1.541 -28.148 1.00 0.00 O ATOM 537 CB LEU A 35 18.728 -2.293 -31.570 1.00 0.00 C ATOM 538 CG LEU A 35 19.337 -3.727 -31.322 1.00 0.00 C ATOM 539 CD1 LEU A 35 20.775 -3.689 -30.757 1.00 0.00 C ATOM 540 CD2 LEU A 35 18.412 -4.583 -30.440 1.00 0.00 C ATOM 0 H LEU A 35 17.643 -0.100 -31.851 1.00 0.00 H new ATOM 0 HA LEU A 35 17.432 -2.118 -29.843 1.00 0.00 H new ATOM 0 HB2 LEU A 35 17.923 -2.399 -32.297 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.501 -1.683 -32.037 1.00 0.00 H new ATOM 0 HG LEU A 35 19.408 -4.200 -32.302 1.00 0.00 H new ATOM 0 HD11 LEU A 35 21.135 -4.707 -30.609 1.00 0.00 H new ATOM 0 HD12 LEU A 35 21.428 -3.171 -31.459 1.00 0.00 H new ATOM 0 HD13 LEU A 35 20.777 -3.162 -29.803 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.860 -5.565 -30.288 1.00 0.00 H new ATOM 0 HD22 LEU A 35 18.274 -4.094 -29.476 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.445 -4.698 -30.930 1.00 0.00 H new ATOM 552 N ILE A 36 20.213 -0.309 -29.768 1.00 0.00 N ATOM 553 CA ILE A 36 21.370 0.140 -28.959 1.00 0.00 C ATOM 554 C ILE A 36 20.891 0.880 -27.691 1.00 0.00 C ATOM 555 O ILE A 36 21.465 0.709 -26.612 1.00 0.00 O ATOM 556 CB ILE A 36 22.302 1.065 -29.832 1.00 0.00 C ATOM 557 CG1 ILE A 36 22.765 0.304 -31.119 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.526 1.590 -29.035 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.337 1.192 -32.215 1.00 0.00 C ATOM 0 H ILE A 36 20.213 0.069 -30.715 1.00 0.00 H new ATOM 0 HA ILE A 36 21.942 -0.732 -28.641 1.00 0.00 H new ATOM 0 HB ILE A 36 21.716 1.937 -30.123 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.518 -0.432 -30.838 1.00 0.00 H new ATOM 0 HG13 ILE A 36 21.916 -0.247 -31.523 1.00 0.00 H new ATOM 0 HG21 ILE A 36 24.136 2.222 -29.680 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.181 2.171 -28.179 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.121 0.747 -28.685 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.630 0.577 -33.066 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.582 1.912 -32.531 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.209 1.724 -31.834 1.00 0.00 H new ATOM 571 N THR A 37 19.792 1.648 -27.852 1.00 0.00 N ATOM 572 CA THR A 37 19.126 2.382 -26.764 1.00 0.00 C ATOM 573 C THR A 37 18.646 1.411 -25.666 1.00 0.00 C ATOM 574 O THR A 37 18.946 1.622 -24.491 1.00 0.00 O ATOM 575 CB THR A 37 17.932 3.241 -27.302 1.00 0.00 C ATOM 576 OG1 THR A 37 18.435 4.259 -28.185 1.00 0.00 O ATOM 577 CG2 THR A 37 17.116 3.908 -26.183 1.00 0.00 C ATOM 0 H THR A 37 19.339 1.775 -28.757 1.00 0.00 H new ATOM 0 HA THR A 37 19.856 3.064 -26.328 1.00 0.00 H new ATOM 0 HB THR A 37 17.264 2.559 -27.828 1.00 0.00 H new ATOM 0 HG1 THR A 37 18.711 3.850 -29.032 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.304 4.488 -26.621 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.702 3.141 -25.528 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.763 4.568 -25.605 1.00 0.00 H new ATOM 585 N TYR A 38 17.958 0.322 -26.074 1.00 0.00 N ATOM 586 CA TYR A 38 17.468 -0.725 -25.148 1.00 0.00 C ATOM 587 C TYR A 38 18.623 -1.253 -24.296 1.00 0.00 C ATOM 588 O TYR A 38 18.549 -1.263 -23.065 1.00 0.00 O ATOM 589 CB TYR A 38 16.824 -1.891 -25.945 1.00 0.00 C ATOM 590 CG TYR A 38 16.384 -3.127 -25.115 1.00 0.00 C ATOM 591 CD1 TYR A 38 17.268 -4.179 -24.835 1.00 0.00 C ATOM 592 CD2 TYR A 38 15.079 -3.266 -24.653 1.00 0.00 C ATOM 593 CE1 TYR A 38 16.867 -5.303 -24.139 1.00 0.00 C ATOM 594 CE2 TYR A 38 14.682 -4.392 -23.942 1.00 0.00 C ATOM 595 CZ TYR A 38 15.575 -5.405 -23.697 1.00 0.00 C ATOM 596 OH TYR A 38 15.163 -6.533 -23.021 1.00 0.00 O ATOM 0 H TYR A 38 17.727 0.144 -27.051 1.00 0.00 H new ATOM 0 HA TYR A 38 16.714 -0.287 -24.494 1.00 0.00 H new ATOM 0 HB2 TYR A 38 15.952 -1.505 -26.473 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.535 -2.222 -26.702 1.00 0.00 H new ATOM 0 HD1 TYR A 38 18.291 -4.109 -25.173 1.00 0.00 H new ATOM 0 HD2 TYR A 38 14.361 -2.484 -24.851 1.00 0.00 H new ATOM 0 HE1 TYR A 38 17.570 -6.099 -23.944 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.667 -4.470 -23.581 1.00 0.00 H new ATOM 0 HH TYR A 38 14.218 -6.442 -22.778 1.00 0.00 H new ATOM 606 N LEU A 39 19.705 -1.657 -24.978 1.00 0.00 N ATOM 607 CA LEU A 39 20.866 -2.286 -24.322 1.00 0.00 C ATOM 608 C LEU A 39 21.556 -1.334 -23.325 1.00 0.00 C ATOM 609 O LEU A 39 21.950 -1.755 -22.250 1.00 0.00 O ATOM 610 CB LEU A 39 21.879 -2.831 -25.367 1.00 0.00 C ATOM 611 CG LEU A 39 21.523 -4.219 -26.007 1.00 0.00 C ATOM 612 CD1 LEU A 39 20.287 -4.163 -26.922 1.00 0.00 C ATOM 613 CD2 LEU A 39 22.721 -4.794 -26.765 1.00 0.00 C ATOM 0 H LEU A 39 19.802 -1.560 -25.989 1.00 0.00 H new ATOM 0 HA LEU A 39 20.486 -3.131 -23.748 1.00 0.00 H new ATOM 0 HB2 LEU A 39 21.976 -2.098 -26.168 1.00 0.00 H new ATOM 0 HB3 LEU A 39 22.856 -2.912 -24.890 1.00 0.00 H new ATOM 0 HG LEU A 39 21.272 -4.881 -25.178 1.00 0.00 H new ATOM 0 HD11 LEU A 39 20.094 -5.154 -27.333 1.00 0.00 H new ATOM 0 HD12 LEU A 39 19.422 -3.834 -26.346 1.00 0.00 H new ATOM 0 HD13 LEU A 39 20.469 -3.461 -27.736 1.00 0.00 H new ATOM 0 HD21 LEU A 39 22.449 -5.756 -27.199 1.00 0.00 H new ATOM 0 HD22 LEU A 39 23.013 -4.107 -27.559 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.556 -4.929 -26.077 1.00 0.00 H new ATOM 625 N GLN A 40 21.688 -0.045 -23.671 1.00 0.00 N ATOM 626 CA GLN A 40 22.346 0.945 -22.782 1.00 0.00 C ATOM 627 C GLN A 40 21.412 1.421 -21.658 1.00 0.00 C ATOM 628 O GLN A 40 21.878 2.001 -20.673 1.00 0.00 O ATOM 629 CB GLN A 40 22.939 2.123 -23.600 1.00 0.00 C ATOM 630 CG GLN A 40 21.921 2.952 -24.402 1.00 0.00 C ATOM 631 CD GLN A 40 22.532 3.743 -25.571 1.00 0.00 C ATOM 632 OE1 GLN A 40 23.557 3.189 -26.214 1.00 0.00 O flip ATOM 633 NE2 GLN A 40 22.061 4.827 -25.918 1.00 0.00 N flip ATOM 0 H GLN A 40 21.353 0.342 -24.553 1.00 0.00 H new ATOM 0 HA GLN A 40 23.180 0.444 -22.290 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.465 2.789 -22.916 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.682 1.725 -24.291 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.153 2.284 -24.792 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.425 3.649 -23.727 1.00 0.00 H new ATOM 0 HE21 GLN A 40 21.275 5.229 -25.407 1.00 0.00 H new ATOM 0 HE22 GLN A 40 22.457 5.323 -26.716 1.00 0.00 H new ATOM 642 N LYS A 41 20.093 1.205 -21.815 1.00 0.00 N ATOM 643 CA LYS A 41 19.113 1.472 -20.738 1.00 0.00 C ATOM 644 C LYS A 41 19.139 0.346 -19.684 1.00 0.00 C ATOM 645 O LYS A 41 19.224 0.617 -18.479 1.00 0.00 O ATOM 646 CB LYS A 41 17.674 1.648 -21.303 1.00 0.00 C ATOM 647 CG LYS A 41 17.477 2.947 -22.119 1.00 0.00 C ATOM 648 CD LYS A 41 16.035 3.150 -22.640 1.00 0.00 C ATOM 649 CE LYS A 41 15.008 3.337 -21.509 1.00 0.00 C ATOM 650 NZ LYS A 41 13.655 3.658 -22.028 1.00 0.00 N ATOM 0 H LYS A 41 19.678 0.847 -22.675 1.00 0.00 H new ATOM 0 HA LYS A 41 19.402 2.408 -20.260 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.435 0.793 -21.936 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.965 1.639 -20.475 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.751 3.799 -21.497 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.161 2.938 -22.968 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.010 4.022 -23.294 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.749 2.290 -23.245 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.959 2.427 -20.911 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.341 4.137 -20.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.936 3.292 -21.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.552 4.689 -22.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.528 3.218 -22.962 1.00 0.00 H new ATOM 664 N ASN A 42 19.065 -0.918 -20.140 1.00 0.00 N ATOM 665 CA ASN A 42 18.927 -2.079 -19.233 1.00 0.00 C ATOM 666 C ASN A 42 20.291 -2.584 -18.710 1.00 0.00 C ATOM 667 O ASN A 42 20.433 -2.812 -17.505 1.00 0.00 O ATOM 668 CB ASN A 42 18.141 -3.220 -19.932 1.00 0.00 C ATOM 669 CG ASN A 42 16.688 -2.841 -20.232 1.00 0.00 C ATOM 670 OD1 ASN A 42 15.801 -3.015 -19.392 1.00 0.00 O ATOM 671 ND2 ASN A 42 16.427 -2.313 -21.421 1.00 0.00 N ATOM 0 H ASN A 42 19.098 -1.164 -21.129 1.00 0.00 H new ATOM 0 HA ASN A 42 18.363 -1.746 -18.362 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.643 -3.484 -20.863 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.157 -4.107 -19.299 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.474 -2.040 -21.660 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.180 -2.180 -22.096 1.00 0.00 H new ATOM 678 N ALA A 43 21.292 -2.736 -19.601 1.00 0.00 N ATOM 679 CA ALA A 43 22.635 -3.255 -19.217 1.00 0.00 C ATOM 680 C ALA A 43 23.481 -2.199 -18.494 1.00 0.00 C ATOM 681 O ALA A 43 23.201 -0.995 -18.566 1.00 0.00 O ATOM 682 CB ALA A 43 23.404 -3.764 -20.448 1.00 0.00 C ATOM 0 H ALA A 43 21.203 -2.509 -20.591 1.00 0.00 H new ATOM 0 HA ALA A 43 22.459 -4.082 -18.529 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.380 -4.137 -20.139 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.842 -4.569 -20.921 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.536 -2.947 -21.158 1.00 0.00 H new ATOM 688 N ASP A 44 24.532 -2.685 -17.809 1.00 0.00 N ATOM 689 CA ASP A 44 25.551 -1.833 -17.172 1.00 0.00 C ATOM 690 C ASP A 44 26.594 -1.396 -18.208 1.00 0.00 C ATOM 691 O ASP A 44 26.744 -2.042 -19.256 1.00 0.00 O ATOM 692 CB ASP A 44 26.253 -2.586 -16.015 1.00 0.00 C ATOM 693 CG ASP A 44 25.276 -3.094 -14.944 1.00 0.00 C ATOM 694 OD1 ASP A 44 24.812 -2.289 -14.111 1.00 0.00 O ATOM 695 OD2 ASP A 44 24.966 -4.303 -14.931 1.00 0.00 O ATOM 0 H ASP A 44 24.698 -3.683 -17.682 1.00 0.00 H new ATOM 0 HA ASP A 44 25.053 -0.953 -16.765 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.807 -3.432 -16.423 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.982 -1.923 -15.548 1.00 0.00 H new ATOM 700 N ALA A 45 27.340 -0.328 -17.866 1.00 0.00 N ATOM 701 CA ALA A 45 28.332 0.323 -18.750 1.00 0.00 C ATOM 702 C ALA A 45 29.311 -0.685 -19.394 1.00 0.00 C ATOM 703 O ALA A 45 29.680 -0.537 -20.559 1.00 0.00 O ATOM 704 CB ALA A 45 29.098 1.396 -17.957 1.00 0.00 C ATOM 0 H ALA A 45 27.270 0.117 -16.951 1.00 0.00 H new ATOM 0 HA ALA A 45 27.788 0.789 -19.572 1.00 0.00 H new ATOM 0 HB1 ALA A 45 29.829 1.876 -18.607 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.397 2.143 -17.585 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.611 0.930 -17.116 1.00 0.00 H new ATOM 710 N ALA A 46 29.664 -1.731 -18.627 1.00 0.00 N ATOM 711 CA ALA A 46 30.623 -2.778 -19.043 1.00 0.00 C ATOM 712 C ALA A 46 30.175 -3.526 -20.321 1.00 0.00 C ATOM 713 O ALA A 46 31.007 -3.849 -21.175 1.00 0.00 O ATOM 714 CB ALA A 46 30.830 -3.774 -17.897 1.00 0.00 C ATOM 0 H ALA A 46 29.289 -1.878 -17.690 1.00 0.00 H new ATOM 0 HA ALA A 46 31.563 -2.279 -19.281 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.537 -4.544 -18.207 1.00 0.00 H new ATOM 0 HB2 ALA A 46 31.223 -3.250 -17.026 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.877 -4.238 -17.642 1.00 0.00 H new ATOM 720 N PHE A 47 28.859 -3.789 -20.436 1.00 0.00 N ATOM 721 CA PHE A 47 28.281 -4.545 -21.573 1.00 0.00 C ATOM 722 C PHE A 47 28.311 -3.697 -22.860 1.00 0.00 C ATOM 723 O PHE A 47 28.502 -4.219 -23.968 1.00 0.00 O ATOM 724 CB PHE A 47 26.833 -4.981 -21.237 1.00 0.00 C ATOM 725 CG PHE A 47 26.233 -6.024 -22.186 1.00 0.00 C ATOM 726 CD1 PHE A 47 26.591 -7.370 -22.076 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.324 -5.669 -23.190 1.00 0.00 C ATOM 728 CE1 PHE A 47 26.050 -8.324 -22.922 1.00 0.00 C ATOM 729 CE2 PHE A 47 24.786 -6.625 -24.035 1.00 0.00 C ATOM 730 CZ PHE A 47 25.155 -7.951 -23.904 1.00 0.00 C ATOM 0 H PHE A 47 28.167 -3.487 -19.750 1.00 0.00 H new ATOM 0 HA PHE A 47 28.883 -5.437 -21.744 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.816 -5.382 -20.224 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.194 -4.098 -21.241 1.00 0.00 H new ATOM 0 HD1 PHE A 47 27.301 -7.671 -21.320 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.038 -4.634 -23.307 1.00 0.00 H new ATOM 0 HE1 PHE A 47 26.329 -9.362 -22.813 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.078 -6.335 -24.797 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.743 -8.695 -24.570 1.00 0.00 H new ATOM 740 N LEU A 48 28.130 -2.380 -22.694 1.00 0.00 N ATOM 741 CA LEU A 48 28.212 -1.424 -23.805 1.00 0.00 C ATOM 742 C LEU A 48 29.676 -1.219 -24.226 1.00 0.00 C ATOM 743 O LEU A 48 29.971 -1.060 -25.399 1.00 0.00 O ATOM 744 CB LEU A 48 27.526 -0.079 -23.440 1.00 0.00 C ATOM 745 CG LEU A 48 25.982 -0.136 -23.146 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.228 -1.042 -24.143 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.674 -0.547 -21.700 1.00 0.00 C ATOM 0 H LEU A 48 27.924 -1.950 -21.792 1.00 0.00 H new ATOM 0 HA LEU A 48 27.672 -1.837 -24.657 1.00 0.00 H new ATOM 0 HB2 LEU A 48 28.025 0.332 -22.562 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.692 0.622 -24.258 1.00 0.00 H new ATOM 0 HG LEU A 48 25.618 0.882 -23.282 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.166 -1.048 -23.898 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.364 -0.662 -25.155 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.621 -2.057 -24.081 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.595 -0.571 -21.551 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.089 -1.536 -21.507 1.00 0.00 H new ATOM 0 HD23 LEU A 48 26.120 0.174 -21.014 1.00 0.00 H new ATOM 759 N ARG A 49 30.595 -1.254 -23.261 1.00 0.00 N ATOM 760 CA ARG A 49 32.050 -1.229 -23.545 1.00 0.00 C ATOM 761 C ARG A 49 32.472 -2.517 -24.284 1.00 0.00 C ATOM 762 O ARG A 49 33.365 -2.493 -25.137 1.00 0.00 O ATOM 763 CB ARG A 49 32.849 -1.046 -22.230 1.00 0.00 C ATOM 764 CG ARG A 49 32.624 0.328 -21.549 1.00 0.00 C ATOM 765 CD ARG A 49 33.113 0.380 -20.090 1.00 0.00 C ATOM 766 NE ARG A 49 32.708 1.634 -19.408 1.00 0.00 N ATOM 767 CZ ARG A 49 33.173 2.059 -18.222 1.00 0.00 C ATOM 768 NH1 ARG A 49 34.159 1.422 -17.601 1.00 0.00 N ATOM 769 NH2 ARG A 49 32.651 3.150 -17.674 1.00 0.00 N ATOM 0 H ARG A 49 30.367 -1.300 -22.268 1.00 0.00 H new ATOM 0 HA ARG A 49 32.272 -0.382 -24.194 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.570 -1.837 -21.533 1.00 0.00 H new ATOM 0 HB3 ARG A 49 33.911 -1.167 -22.441 1.00 0.00 H new ATOM 0 HG2 ARG A 49 33.139 1.098 -22.124 1.00 0.00 H new ATOM 0 HG3 ARG A 49 31.561 0.568 -21.576 1.00 0.00 H new ATOM 0 HD2 ARG A 49 32.713 -0.474 -19.544 1.00 0.00 H new ATOM 0 HD3 ARG A 49 34.199 0.291 -20.069 1.00 0.00 H new ATOM 0 HE ARG A 49 32.020 2.222 -19.879 1.00 0.00 H new ATOM 0 HH11 ARG A 49 34.577 0.594 -18.024 1.00 0.00 H new ATOM 0 HH12 ARG A 49 34.498 1.761 -16.701 1.00 0.00 H new ATOM 0 HH21 ARG A 49 31.906 3.655 -18.153 1.00 0.00 H new ATOM 0 HH22 ARG A 49 32.995 3.483 -16.774 1.00 0.00 H new ATOM 783 N HIS A 50 31.777 -3.625 -23.965 1.00 0.00 N ATOM 784 CA HIS A 50 32.010 -4.950 -24.562 1.00 0.00 C ATOM 785 C HIS A 50 31.665 -4.934 -26.066 1.00 0.00 C ATOM 786 O HIS A 50 32.494 -5.292 -26.907 1.00 0.00 O ATOM 787 CB HIS A 50 31.163 -6.013 -23.803 1.00 0.00 C ATOM 788 CG HIS A 50 31.454 -7.455 -24.139 1.00 0.00 C ATOM 789 ND1 HIS A 50 32.215 -8.273 -23.334 1.00 0.00 N ATOM 790 CD2 HIS A 50 31.037 -8.236 -25.162 1.00 0.00 C ATOM 791 CE1 HIS A 50 32.258 -9.484 -23.851 1.00 0.00 C ATOM 792 NE2 HIS A 50 31.551 -9.489 -24.958 1.00 0.00 N ATOM 0 H HIS A 50 31.026 -3.623 -23.274 1.00 0.00 H new ATOM 0 HA HIS A 50 33.065 -5.209 -24.469 1.00 0.00 H new ATOM 0 HB2 HIS A 50 31.315 -5.872 -22.733 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.109 -5.820 -24.004 1.00 0.00 H new ATOM 0 HD2 HIS A 50 30.413 -7.928 -25.988 1.00 0.00 H new ATOM 0 HE1 HIS A 50 32.785 -10.330 -23.435 1.00 0.00 H new ATOM 0 HE2 HIS A 50 31.408 -10.295 -25.567 1.00 0.00 H new ATOM 801 N TRP A 51 30.439 -4.489 -26.394 1.00 0.00 N ATOM 802 CA TRP A 51 29.905 -4.531 -27.780 1.00 0.00 C ATOM 803 C TRP A 51 30.108 -3.204 -28.538 1.00 0.00 C ATOM 804 O TRP A 51 29.502 -3.004 -29.597 1.00 0.00 O ATOM 805 CB TRP A 51 28.408 -4.935 -27.736 1.00 0.00 C ATOM 806 CG TRP A 51 28.201 -6.348 -27.245 1.00 0.00 C ATOM 807 CD1 TRP A 51 27.852 -6.750 -25.988 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.359 -7.545 -28.019 1.00 0.00 C ATOM 809 NE1 TRP A 51 27.778 -8.117 -25.935 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.089 -8.629 -27.168 1.00 0.00 C ATOM 811 CE3 TRP A 51 28.707 -7.799 -29.349 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.146 -9.947 -27.606 1.00 0.00 C ATOM 813 CZ3 TRP A 51 28.761 -9.105 -29.782 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.487 -10.168 -28.913 1.00 0.00 C ATOM 0 H TRP A 51 29.789 -4.091 -25.716 1.00 0.00 H new ATOM 0 HA TRP A 51 30.469 -5.278 -28.338 1.00 0.00 H new ATOM 0 HB2 TRP A 51 27.869 -4.246 -27.086 1.00 0.00 H new ATOM 0 HB3 TRP A 51 27.979 -4.834 -28.733 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.662 -6.087 -25.157 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.531 -8.665 -25.111 1.00 0.00 H new ATOM 0 HE3 TRP A 51 28.929 -6.986 -30.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 27.929 -10.768 -26.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.019 -9.313 -30.810 1.00 0.00 H new ATOM 0 HH2 TRP A 51 28.546 -11.182 -29.281 1.00 0.00 H new ATOM 825 N LYS A 52 30.972 -2.322 -27.982 1.00 0.00 N ATOM 826 CA LYS A 52 31.393 -1.032 -28.608 1.00 0.00 C ATOM 827 C LYS A 52 30.226 -0.010 -28.662 1.00 0.00 C ATOM 828 O LYS A 52 30.258 0.958 -29.429 1.00 0.00 O ATOM 829 CB LYS A 52 32.004 -1.257 -30.034 1.00 0.00 C ATOM 830 CG LYS A 52 33.198 -2.258 -30.137 1.00 0.00 C ATOM 831 CD LYS A 52 34.580 -1.674 -29.721 1.00 0.00 C ATOM 832 CE LYS A 52 34.807 -1.579 -28.198 1.00 0.00 C ATOM 833 NZ LYS A 52 36.131 -0.996 -27.876 1.00 0.00 N ATOM 0 H LYS A 52 31.406 -2.483 -27.073 1.00 0.00 H new ATOM 0 HA LYS A 52 32.172 -0.611 -27.972 1.00 0.00 H new ATOM 0 HB2 LYS A 52 31.209 -1.607 -30.693 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.335 -0.292 -30.418 1.00 0.00 H new ATOM 0 HG2 LYS A 52 32.982 -3.124 -29.511 1.00 0.00 H new ATOM 0 HG3 LYS A 52 33.265 -2.616 -31.164 1.00 0.00 H new ATOM 0 HD2 LYS A 52 35.366 -2.293 -30.154 1.00 0.00 H new ATOM 0 HD3 LYS A 52 34.684 -0.679 -30.153 1.00 0.00 H new ATOM 0 HE2 LYS A 52 34.022 -0.969 -27.751 1.00 0.00 H new ATOM 0 HE3 LYS A 52 34.730 -2.572 -27.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 36.247 -0.948 -26.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 36.881 -1.592 -28.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 36.195 -0.038 -28.276 1.00 0.00 H new ATOM 847 N LEU A 53 29.217 -0.232 -27.803 1.00 0.00 N ATOM 848 CA LEU A 53 28.032 0.632 -27.669 1.00 0.00 C ATOM 849 C LEU A 53 28.238 1.707 -26.552 1.00 0.00 C ATOM 850 O LEU A 53 27.277 2.362 -26.137 1.00 0.00 O ATOM 851 CB LEU A 53 26.789 -0.245 -27.330 1.00 0.00 C ATOM 852 CG LEU A 53 26.636 -1.595 -28.099 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.420 -2.380 -27.588 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.560 -1.395 -29.623 1.00 0.00 C ATOM 0 H LEU A 53 29.202 -1.032 -27.170 1.00 0.00 H new ATOM 0 HA LEU A 53 27.876 1.152 -28.614 1.00 0.00 H new ATOM 0 HB2 LEU A 53 26.812 -0.465 -26.263 1.00 0.00 H new ATOM 0 HB3 LEU A 53 25.895 0.351 -27.513 1.00 0.00 H new ATOM 0 HG LEU A 53 27.535 -2.179 -27.900 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.334 -3.317 -28.139 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.545 -2.593 -26.526 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.517 -1.788 -27.736 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.454 -2.363 -30.112 1.00 0.00 H new ATOM 0 HD22 LEU A 53 25.701 -0.770 -29.866 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.472 -0.910 -29.972 1.00 0.00 H new ATOM 866 N THR A 54 29.489 1.854 -26.060 1.00 0.00 N ATOM 867 CA THR A 54 29.836 2.803 -24.967 1.00 0.00 C ATOM 868 C THR A 54 29.886 4.283 -25.429 1.00 0.00 C ATOM 869 O THR A 54 29.742 5.199 -24.602 1.00 0.00 O ATOM 870 CB THR A 54 31.199 2.401 -24.298 1.00 0.00 C ATOM 871 OG1 THR A 54 31.586 3.351 -23.287 1.00 0.00 O ATOM 872 CG2 THR A 54 32.340 2.239 -25.317 1.00 0.00 C ATOM 0 H THR A 54 30.288 1.322 -26.405 1.00 0.00 H new ATOM 0 HA THR A 54 29.031 2.730 -24.236 1.00 0.00 H new ATOM 0 HB THR A 54 31.028 1.429 -23.835 1.00 0.00 H new ATOM 0 HG1 THR A 54 32.437 3.075 -22.887 1.00 0.00 H new ATOM 0 HG21 THR A 54 33.256 1.961 -24.796 1.00 0.00 H new ATOM 0 HG22 THR A 54 32.080 1.460 -26.034 1.00 0.00 H new ATOM 0 HG23 THR A 54 32.494 3.181 -25.844 1.00 0.00 H new ATOM 880 N GLY A 55 30.086 4.509 -26.741 1.00 0.00 N ATOM 881 CA GLY A 55 30.203 5.871 -27.296 1.00 0.00 C ATOM 882 C GLY A 55 28.852 6.543 -27.527 1.00 0.00 C ATOM 883 O GLY A 55 27.835 6.117 -26.961 1.00 0.00 O ATOM 0 H GLY A 55 30.170 3.767 -27.436 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.795 6.484 -26.616 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.746 5.827 -28.240 1.00 0.00 H new ATOM 887 N THR A 56 28.836 7.606 -28.356 1.00 0.00 N ATOM 888 CA THR A 56 27.592 8.307 -28.732 1.00 0.00 C ATOM 889 C THR A 56 26.760 7.418 -29.686 1.00 0.00 C ATOM 890 O THR A 56 27.282 6.945 -30.709 1.00 0.00 O ATOM 891 CB THR A 56 27.871 9.721 -29.373 1.00 0.00 C ATOM 892 OG1 THR A 56 26.639 10.329 -29.796 1.00 0.00 O ATOM 893 CG2 THR A 56 28.850 9.673 -30.560 1.00 0.00 C ATOM 0 H THR A 56 29.676 8.000 -28.780 1.00 0.00 H new ATOM 0 HA THR A 56 27.021 8.488 -27.821 1.00 0.00 H new ATOM 0 HB THR A 56 28.342 10.319 -28.593 1.00 0.00 H new ATOM 0 HG1 THR A 56 26.826 11.206 -30.190 1.00 0.00 H new ATOM 0 HG21 THR A 56 28.996 10.679 -30.952 1.00 0.00 H new ATOM 0 HG22 THR A 56 29.807 9.271 -30.227 1.00 0.00 H new ATOM 0 HG23 THR A 56 28.441 9.034 -31.343 1.00 0.00 H new ATOM 901 N ASN A 57 25.471 7.197 -29.323 1.00 0.00 N ATOM 902 CA ASN A 57 24.550 6.252 -30.016 1.00 0.00 C ATOM 903 C ASN A 57 24.467 6.544 -31.534 1.00 0.00 C ATOM 904 O ASN A 57 24.300 5.626 -32.331 1.00 0.00 O ATOM 905 CB ASN A 57 23.146 6.293 -29.335 1.00 0.00 C ATOM 906 CG ASN A 57 22.170 5.159 -29.730 1.00 0.00 C ATOM 907 OD1 ASN A 57 21.277 4.801 -28.816 1.00 0.00 O flip ATOM 908 ND2 ASN A 57 22.192 4.622 -30.838 1.00 0.00 N flip ATOM 0 H ASN A 57 25.035 7.673 -28.533 1.00 0.00 H new ATOM 0 HA ASN A 57 24.949 5.242 -29.922 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.287 6.265 -28.254 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.677 7.248 -29.571 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.885 4.908 -31.530 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.518 3.891 -31.064 1.00 0.00 H new ATOM 915 N LYS A 58 24.643 7.826 -31.907 1.00 0.00 N ATOM 916 CA LYS A 58 24.706 8.282 -33.316 1.00 0.00 C ATOM 917 C LYS A 58 25.846 7.577 -34.099 1.00 0.00 C ATOM 918 O LYS A 58 25.620 6.958 -35.157 1.00 0.00 O ATOM 919 CB LYS A 58 24.912 9.818 -33.337 1.00 0.00 C ATOM 920 CG LYS A 58 25.089 10.438 -34.745 1.00 0.00 C ATOM 921 CD LYS A 58 25.301 11.964 -34.687 1.00 0.00 C ATOM 922 CE LYS A 58 25.518 12.598 -36.073 1.00 0.00 C ATOM 923 NZ LYS A 58 25.797 14.055 -35.969 1.00 0.00 N ATOM 0 H LYS A 58 24.747 8.585 -31.234 1.00 0.00 H new ATOM 0 HA LYS A 58 23.769 8.021 -33.808 1.00 0.00 H new ATOM 0 HB2 LYS A 58 24.057 10.290 -32.854 1.00 0.00 H new ATOM 0 HB3 LYS A 58 25.790 10.059 -32.738 1.00 0.00 H new ATOM 0 HG2 LYS A 58 25.941 9.973 -35.240 1.00 0.00 H new ATOM 0 HG3 LYS A 58 24.210 10.218 -35.350 1.00 0.00 H new ATOM 0 HD2 LYS A 58 24.435 12.427 -34.214 1.00 0.00 H new ATOM 0 HD3 LYS A 58 26.163 12.181 -34.056 1.00 0.00 H new ATOM 0 HE2 LYS A 58 26.349 12.102 -36.575 1.00 0.00 H new ATOM 0 HE3 LYS A 58 24.633 12.439 -36.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 25.938 14.450 -36.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 24.993 14.531 -35.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 26.655 14.204 -35.401 1.00 0.00 H new ATOM 937 N SER A 59 27.067 7.658 -33.551 1.00 0.00 N ATOM 938 CA SER A 59 28.257 7.060 -34.178 1.00 0.00 C ATOM 939 C SER A 59 28.199 5.523 -34.114 1.00 0.00 C ATOM 940 O SER A 59 28.761 4.852 -34.966 1.00 0.00 O ATOM 941 CB SER A 59 29.547 7.588 -33.505 1.00 0.00 C ATOM 942 OG SER A 59 30.716 7.076 -34.130 1.00 0.00 O ATOM 0 H SER A 59 27.258 8.135 -32.670 1.00 0.00 H new ATOM 0 HA SER A 59 28.272 7.352 -35.228 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.559 8.677 -33.548 1.00 0.00 H new ATOM 0 HB3 SER A 59 29.547 7.310 -32.451 1.00 0.00 H new ATOM 0 HG SER A 59 31.510 7.432 -33.680 1.00 0.00 H new ATOM 948 N ILE A 60 27.501 4.971 -33.109 1.00 0.00 N ATOM 949 CA ILE A 60 27.387 3.514 -32.935 1.00 0.00 C ATOM 950 C ILE A 60 26.473 2.910 -34.019 1.00 0.00 C ATOM 951 O ILE A 60 26.842 1.942 -34.673 1.00 0.00 O ATOM 952 CB ILE A 60 26.839 3.153 -31.516 1.00 0.00 C ATOM 953 CG1 ILE A 60 27.703 3.807 -30.399 1.00 0.00 C ATOM 954 CG2 ILE A 60 26.785 1.623 -31.319 1.00 0.00 C ATOM 955 CD1 ILE A 60 27.070 3.760 -29.025 1.00 0.00 C ATOM 0 H ILE A 60 27.005 5.514 -32.402 1.00 0.00 H new ATOM 0 HA ILE A 60 28.386 3.090 -33.034 1.00 0.00 H new ATOM 0 HB ILE A 60 25.826 3.549 -31.444 1.00 0.00 H new ATOM 0 HG12 ILE A 60 28.669 3.304 -30.360 1.00 0.00 H new ATOM 0 HG13 ILE A 60 27.895 4.847 -30.664 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.400 1.398 -30.324 1.00 0.00 H new ATOM 0 HG22 ILE A 60 26.129 1.182 -32.070 1.00 0.00 H new ATOM 0 HG23 ILE A 60 27.787 1.207 -31.423 1.00 0.00 H new ATOM 0 HD11 ILE A 60 27.733 4.235 -28.302 1.00 0.00 H new ATOM 0 HD12 ILE A 60 26.117 4.288 -29.045 1.00 0.00 H new ATOM 0 HD13 ILE A 60 26.903 2.722 -28.736 1.00 0.00 H new ATOM 967 N ARG A 61 25.281 3.503 -34.211 1.00 0.00 N ATOM 968 CA ARG A 61 24.319 3.034 -35.235 1.00 0.00 C ATOM 969 C ARG A 61 24.890 3.221 -36.657 1.00 0.00 C ATOM 970 O ARG A 61 24.612 2.418 -37.547 1.00 0.00 O ATOM 971 CB ARG A 61 22.945 3.752 -35.077 1.00 0.00 C ATOM 972 CG ARG A 61 23.021 5.289 -35.191 1.00 0.00 C ATOM 973 CD ARG A 61 21.730 6.021 -34.790 1.00 0.00 C ATOM 974 NE ARG A 61 20.643 5.795 -35.753 1.00 0.00 N ATOM 975 CZ ARG A 61 19.617 6.627 -35.978 1.00 0.00 C ATOM 976 NH1 ARG A 61 19.481 7.750 -35.297 1.00 0.00 N ATOM 977 NH2 ARG A 61 18.720 6.316 -36.885 1.00 0.00 N ATOM 0 H ARG A 61 24.957 4.307 -33.673 1.00 0.00 H new ATOM 0 HA ARG A 61 24.156 1.967 -35.083 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.261 3.375 -35.837 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.520 3.491 -34.108 1.00 0.00 H new ATOM 0 HG2 ARG A 61 23.837 5.648 -34.564 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.269 5.553 -36.219 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.415 5.684 -33.803 1.00 0.00 H new ATOM 0 HD3 ARG A 61 21.929 7.090 -34.713 1.00 0.00 H new ATOM 0 HE ARG A 61 20.672 4.932 -36.296 1.00 0.00 H new ATOM 0 HH11 ARG A 61 20.165 7.999 -34.583 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.692 8.368 -35.485 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.807 5.447 -37.412 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.936 6.943 -37.063 1.00 0.00 H new ATOM 991 N LYS A 62 25.715 4.273 -36.855 1.00 0.00 N ATOM 992 CA LYS A 62 26.314 4.560 -38.173 1.00 0.00 C ATOM 993 C LYS A 62 27.567 3.692 -38.467 1.00 0.00 C ATOM 994 O LYS A 62 27.758 3.245 -39.607 1.00 0.00 O ATOM 995 CB LYS A 62 26.630 6.079 -38.305 1.00 0.00 C ATOM 996 CG LYS A 62 27.170 6.500 -39.699 1.00 0.00 C ATOM 997 CD LYS A 62 26.978 8.006 -40.019 1.00 0.00 C ATOM 998 CE LYS A 62 25.488 8.424 -40.055 1.00 0.00 C ATOM 999 NZ LYS A 62 25.273 9.717 -40.756 1.00 0.00 N ATOM 0 H LYS A 62 25.979 4.932 -36.123 1.00 0.00 H new ATOM 0 HA LYS A 62 25.576 4.289 -38.928 1.00 0.00 H new ATOM 0 HB2 LYS A 62 25.724 6.647 -38.093 1.00 0.00 H new ATOM 0 HB3 LYS A 62 27.363 6.353 -37.546 1.00 0.00 H new ATOM 0 HG2 LYS A 62 28.232 6.259 -39.754 1.00 0.00 H new ATOM 0 HG3 LYS A 62 26.669 5.909 -40.466 1.00 0.00 H new ATOM 0 HD2 LYS A 62 27.500 8.602 -39.270 1.00 0.00 H new ATOM 0 HD3 LYS A 62 27.437 8.230 -40.982 1.00 0.00 H new ATOM 0 HE2 LYS A 62 24.908 7.646 -40.551 1.00 0.00 H new ATOM 0 HE3 LYS A 62 25.112 8.501 -39.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 24.259 9.950 -40.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 25.803 10.468 -40.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 25.606 9.639 -41.738 1.00 0.00 H new ATOM 1013 N ASN A 63 28.406 3.435 -37.444 1.00 0.00 N ATOM 1014 CA ASN A 63 29.723 2.758 -37.640 1.00 0.00 C ATOM 1015 C ASN A 63 29.622 1.241 -37.411 1.00 0.00 C ATOM 1016 O ASN A 63 30.206 0.456 -38.170 1.00 0.00 O ATOM 1017 CB ASN A 63 30.829 3.368 -36.717 1.00 0.00 C ATOM 1018 CG ASN A 63 31.197 4.837 -37.032 1.00 0.00 C ATOM 1019 OD1 ASN A 63 30.209 5.687 -37.291 1.00 0.00 O flip ATOM 1020 ND2 ASN A 63 32.370 5.216 -36.993 1.00 0.00 N flip ATOM 0 H ASN A 63 28.205 3.681 -36.475 1.00 0.00 H new ATOM 0 HA ASN A 63 30.010 2.929 -38.678 1.00 0.00 H new ATOM 0 HB2 ASN A 63 30.494 3.306 -35.682 1.00 0.00 H new ATOM 0 HB3 ASN A 63 31.728 2.757 -36.798 1.00 0.00 H new ATOM 0 HD21 ASN A 63 33.115 4.549 -36.793 1.00 0.00 H new ATOM 0 HD22 ASN A 63 32.595 6.197 -37.161 1.00 0.00 H new ATOM 1027 N ARG A 64 28.892 0.827 -36.360 1.00 0.00 N ATOM 1028 CA ARG A 64 28.771 -0.602 -36.002 1.00 0.00 C ATOM 1029 C ARG A 64 27.822 -1.319 -36.956 1.00 0.00 C ATOM 1030 O ARG A 64 26.763 -0.789 -37.325 1.00 0.00 O ATOM 1031 CB ARG A 64 28.315 -0.811 -34.528 1.00 0.00 C ATOM 1032 CG ARG A 64 29.281 -0.252 -33.454 1.00 0.00 C ATOM 1033 CD ARG A 64 30.659 -0.965 -33.409 1.00 0.00 C ATOM 1034 NE ARG A 64 31.496 -0.745 -34.613 1.00 0.00 N ATOM 1035 CZ ARG A 64 32.312 0.298 -34.828 1.00 0.00 C ATOM 1036 NH1 ARG A 64 32.424 1.267 -33.944 1.00 0.00 N ATOM 1037 NH2 ARG A 64 33.003 0.360 -35.952 1.00 0.00 N ATOM 0 H ARG A 64 28.378 1.457 -35.744 1.00 0.00 H new ATOM 0 HA ARG A 64 29.767 -1.035 -36.096 1.00 0.00 H new ATOM 0 HB2 ARG A 64 27.340 -0.342 -34.396 1.00 0.00 H new ATOM 0 HB3 ARG A 64 28.182 -1.879 -34.354 1.00 0.00 H new ATOM 0 HG2 ARG A 64 29.439 0.810 -33.641 1.00 0.00 H new ATOM 0 HG3 ARG A 64 28.808 -0.337 -32.476 1.00 0.00 H new ATOM 0 HD2 ARG A 64 31.206 -0.619 -32.532 1.00 0.00 H new ATOM 0 HD3 ARG A 64 30.498 -2.036 -33.283 1.00 0.00 H new ATOM 0 HE ARG A 64 31.447 -1.453 -35.346 1.00 0.00 H new ATOM 0 HH11 ARG A 64 31.885 1.233 -33.079 1.00 0.00 H new ATOM 0 HH12 ARG A 64 33.049 2.052 -34.125 1.00 0.00 H new ATOM 0 HH21 ARG A 64 32.914 -0.381 -36.647 1.00 0.00 H new ATOM 0 HH22 ARG A 64 33.626 1.149 -36.125 1.00 0.00 H new ATOM 1051 N ASN A 65 28.235 -2.525 -37.347 1.00 0.00 N ATOM 1052 CA ASN A 65 27.477 -3.391 -38.248 1.00 0.00 C ATOM 1053 C ASN A 65 26.304 -4.024 -37.487 1.00 0.00 C ATOM 1054 O ASN A 65 26.373 -4.186 -36.258 1.00 0.00 O ATOM 1055 CB ASN A 65 28.405 -4.495 -38.829 1.00 0.00 C ATOM 1056 CG ASN A 65 29.536 -4.008 -39.764 1.00 0.00 C ATOM 1057 OD1 ASN A 65 30.064 -2.803 -39.553 1.00 0.00 O flip ATOM 1058 ND2 ASN A 65 29.949 -4.735 -40.674 1.00 0.00 N flip ATOM 0 H ASN A 65 29.119 -2.933 -37.042 1.00 0.00 H new ATOM 0 HA ASN A 65 27.084 -2.798 -39.074 1.00 0.00 H new ATOM 0 HB2 ASN A 65 28.856 -5.037 -37.998 1.00 0.00 H new ATOM 0 HB3 ASN A 65 27.789 -5.208 -39.377 1.00 0.00 H new ATOM 0 HD21 ASN A 65 29.533 -5.655 -40.821 1.00 0.00 H new ATOM 0 HD22 ASN A 65 30.706 -4.415 -41.278 1.00 0.00 H new ATOM 1065 N CYS A 66 25.247 -4.397 -38.229 1.00 0.00 N ATOM 1066 CA CYS A 66 24.028 -4.999 -37.659 1.00 0.00 C ATOM 1067 C CYS A 66 24.351 -6.291 -36.897 1.00 0.00 C ATOM 1068 O CYS A 66 23.760 -6.543 -35.865 1.00 0.00 O ATOM 1069 CB CYS A 66 23.006 -5.280 -38.776 1.00 0.00 C ATOM 1070 SG CYS A 66 23.630 -6.373 -40.069 1.00 0.00 S ATOM 0 H CYS A 66 25.213 -4.290 -39.243 1.00 0.00 H new ATOM 0 HA CYS A 66 23.598 -4.290 -36.951 1.00 0.00 H new ATOM 0 HB2 CYS A 66 22.113 -5.724 -38.336 1.00 0.00 H new ATOM 0 HB3 CYS A 66 22.703 -4.335 -39.226 1.00 0.00 H new ATOM 0 HG CYS A 66 22.706 -6.557 -40.965 1.00 0.00 H new ATOM 1076 N SER A 67 25.328 -7.072 -37.411 1.00 0.00 N ATOM 1077 CA SER A 67 25.754 -8.358 -36.806 1.00 0.00 C ATOM 1078 C SER A 67 26.263 -8.183 -35.358 1.00 0.00 C ATOM 1079 O SER A 67 26.016 -9.040 -34.504 1.00 0.00 O ATOM 1080 CB SER A 67 26.832 -9.024 -37.682 1.00 0.00 C ATOM 1081 OG SER A 67 26.351 -9.212 -39.001 1.00 0.00 O ATOM 0 H SER A 67 25.844 -6.830 -38.257 1.00 0.00 H new ATOM 0 HA SER A 67 24.878 -9.005 -36.760 1.00 0.00 H new ATOM 0 HB2 SER A 67 27.729 -8.404 -37.700 1.00 0.00 H new ATOM 0 HB3 SER A 67 27.117 -9.984 -37.252 1.00 0.00 H new ATOM 0 HG SER A 67 27.047 -9.634 -39.546 1.00 0.00 H new ATOM 1087 N GLN A 68 26.962 -7.055 -35.099 1.00 0.00 N ATOM 1088 CA GLN A 68 27.405 -6.676 -33.732 1.00 0.00 C ATOM 1089 C GLN A 68 26.194 -6.472 -32.811 1.00 0.00 C ATOM 1090 O GLN A 68 26.190 -6.923 -31.670 1.00 0.00 O ATOM 1091 CB GLN A 68 28.254 -5.368 -33.751 1.00 0.00 C ATOM 1092 CG GLN A 68 29.676 -5.516 -34.324 1.00 0.00 C ATOM 1093 CD GLN A 68 30.579 -6.479 -33.525 1.00 0.00 C ATOM 1094 OE1 GLN A 68 31.484 -7.097 -34.087 1.00 0.00 O ATOM 1095 NE2 GLN A 68 30.359 -6.608 -32.206 1.00 0.00 N ATOM 0 H GLN A 68 27.234 -6.387 -35.820 1.00 0.00 H new ATOM 0 HA GLN A 68 28.022 -7.491 -33.354 1.00 0.00 H new ATOM 0 HB2 GLN A 68 27.721 -4.617 -34.334 1.00 0.00 H new ATOM 0 HB3 GLN A 68 28.328 -4.987 -32.732 1.00 0.00 H new ATOM 0 HG2 GLN A 68 29.607 -5.869 -35.353 1.00 0.00 H new ATOM 0 HG3 GLN A 68 30.148 -4.534 -34.355 1.00 0.00 H new ATOM 0 HE21 GLN A 68 29.604 -6.086 -31.762 1.00 0.00 H new ATOM 0 HE22 GLN A 68 30.947 -7.228 -31.649 1.00 0.00 H new ATOM 1104 N LEU A 69 25.174 -5.805 -33.360 1.00 0.00 N ATOM 1105 CA LEU A 69 23.974 -5.373 -32.627 1.00 0.00 C ATOM 1106 C LEU A 69 23.026 -6.563 -32.350 1.00 0.00 C ATOM 1107 O LEU A 69 22.389 -6.629 -31.286 1.00 0.00 O ATOM 1108 CB LEU A 69 23.262 -4.260 -33.445 1.00 0.00 C ATOM 1109 CG LEU A 69 24.161 -3.055 -33.881 1.00 0.00 C ATOM 1110 CD1 LEU A 69 23.357 -2.016 -34.682 1.00 0.00 C ATOM 1111 CD2 LEU A 69 24.863 -2.403 -32.672 1.00 0.00 C ATOM 0 H LEU A 69 25.157 -5.544 -34.346 1.00 0.00 H new ATOM 0 HA LEU A 69 24.267 -4.975 -31.656 1.00 0.00 H new ATOM 0 HB2 LEU A 69 22.833 -4.711 -34.340 1.00 0.00 H new ATOM 0 HB3 LEU A 69 22.432 -3.874 -32.853 1.00 0.00 H new ATOM 0 HG LEU A 69 24.937 -3.452 -34.536 1.00 0.00 H new ATOM 0 HD11 LEU A 69 24.011 -1.193 -34.969 1.00 0.00 H new ATOM 0 HD12 LEU A 69 22.948 -2.484 -35.577 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.542 -1.634 -34.067 1.00 0.00 H new ATOM 0 HD21 LEU A 69 25.478 -1.571 -33.014 1.00 0.00 H new ATOM 0 HD22 LEU A 69 24.114 -2.036 -31.970 1.00 0.00 H new ATOM 0 HD23 LEU A 69 25.494 -3.141 -32.176 1.00 0.00 H new ATOM 1123 N ILE A 70 22.958 -7.509 -33.310 1.00 0.00 N ATOM 1124 CA ILE A 70 22.164 -8.747 -33.176 1.00 0.00 C ATOM 1125 C ILE A 70 22.785 -9.588 -32.065 1.00 0.00 C ATOM 1126 O ILE A 70 22.139 -9.861 -31.066 1.00 0.00 O ATOM 1127 CB ILE A 70 22.137 -9.595 -34.508 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.567 -8.751 -35.691 1.00 0.00 C ATOM 1129 CG2 ILE A 70 21.336 -10.922 -34.322 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.820 -9.321 -37.079 1.00 0.00 C ATOM 0 H ILE A 70 23.452 -7.435 -34.199 1.00 0.00 H new ATOM 0 HA ILE A 70 21.135 -8.470 -32.948 1.00 0.00 H new ATOM 0 HB ILE A 70 23.164 -9.866 -34.752 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.491 -8.641 -35.552 1.00 0.00 H new ATOM 0 HG13 ILE A 70 21.998 -7.751 -35.643 1.00 0.00 H new ATOM 0 HG21 ILE A 70 21.337 -11.482 -35.257 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.802 -11.522 -33.540 1.00 0.00 H new ATOM 0 HG23 ILE A 70 20.309 -10.691 -34.039 1.00 0.00 H new ATOM 0 HD11 ILE A 70 21.384 -8.660 -37.829 1.00 0.00 H new ATOM 0 HD12 ILE A 70 22.894 -9.404 -37.248 1.00 0.00 H new ATOM 0 HD13 ILE A 70 21.363 -10.308 -37.156 1.00 0.00 H new ATOM 1142 N ALA A 71 24.078 -9.925 -32.253 1.00 0.00 N ATOM 1143 CA ALA A 71 24.861 -10.747 -31.315 1.00 0.00 C ATOM 1144 C ALA A 71 24.883 -10.136 -29.902 1.00 0.00 C ATOM 1145 O ALA A 71 24.919 -10.860 -28.911 1.00 0.00 O ATOM 1146 CB ALA A 71 26.288 -10.937 -31.849 1.00 0.00 C ATOM 0 H ALA A 71 24.611 -9.629 -33.071 1.00 0.00 H new ATOM 0 HA ALA A 71 24.378 -11.721 -31.237 1.00 0.00 H new ATOM 0 HB1 ALA A 71 26.860 -11.546 -31.149 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.251 -11.436 -32.818 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.768 -9.964 -31.960 1.00 0.00 H new ATOM 1152 N ALA A 72 24.861 -8.793 -29.844 1.00 0.00 N ATOM 1153 CA ALA A 72 24.735 -8.035 -28.588 1.00 0.00 C ATOM 1154 C ALA A 72 23.408 -8.346 -27.856 1.00 0.00 C ATOM 1155 O ALA A 72 23.424 -8.721 -26.676 1.00 0.00 O ATOM 1156 CB ALA A 72 24.870 -6.532 -28.873 1.00 0.00 C ATOM 0 H ALA A 72 24.930 -8.201 -30.671 1.00 0.00 H new ATOM 0 HA ALA A 72 25.541 -8.344 -27.922 1.00 0.00 H new ATOM 0 HB1 ALA A 72 24.776 -5.975 -27.941 1.00 0.00 H new ATOM 0 HB2 ALA A 72 25.845 -6.332 -29.318 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.085 -6.220 -29.562 1.00 0.00 H new ATOM 1162 N TYR A 73 22.268 -8.202 -28.573 1.00 0.00 N ATOM 1163 CA TYR A 73 20.917 -8.449 -27.998 1.00 0.00 C ATOM 1164 C TYR A 73 20.749 -9.932 -27.601 1.00 0.00 C ATOM 1165 O TYR A 73 20.154 -10.244 -26.560 1.00 0.00 O ATOM 1166 CB TYR A 73 19.799 -8.030 -28.995 1.00 0.00 C ATOM 1167 CG TYR A 73 18.377 -8.078 -28.400 1.00 0.00 C ATOM 1168 CD1 TYR A 73 17.846 -6.978 -27.725 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.570 -9.225 -28.494 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.581 -7.015 -27.171 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.298 -9.259 -27.942 1.00 0.00 C ATOM 1172 CZ TYR A 73 15.812 -8.149 -27.279 1.00 0.00 C ATOM 1173 OH TYR A 73 14.548 -8.170 -26.725 1.00 0.00 O ATOM 0 H TYR A 73 22.254 -7.916 -29.552 1.00 0.00 H new ATOM 0 HA TYR A 73 20.824 -7.837 -27.101 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.001 -7.018 -29.347 1.00 0.00 H new ATOM 0 HB3 TYR A 73 19.839 -8.684 -29.866 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.437 -6.078 -27.634 1.00 0.00 H new ATOM 0 HD2 TYR A 73 17.948 -10.097 -29.006 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.195 -6.150 -26.652 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.691 -10.148 -28.030 1.00 0.00 H new ATOM 0 HH TYR A 73 14.000 -8.840 -27.185 1.00 0.00 H new ATOM 1183 N LYS A 74 21.291 -10.826 -28.447 1.00 0.00 N ATOM 1184 CA LYS A 74 21.263 -12.284 -28.220 1.00 0.00 C ATOM 1185 C LYS A 74 21.962 -12.623 -26.907 1.00 0.00 C ATOM 1186 O LYS A 74 21.365 -13.211 -26.005 1.00 0.00 O ATOM 1187 CB LYS A 74 21.965 -13.040 -29.378 1.00 0.00 C ATOM 1188 CG LYS A 74 21.328 -12.848 -30.759 1.00 0.00 C ATOM 1189 CD LYS A 74 22.072 -13.622 -31.874 1.00 0.00 C ATOM 1190 CE LYS A 74 21.881 -15.144 -31.769 1.00 0.00 C ATOM 1191 NZ LYS A 74 22.586 -15.872 -32.859 1.00 0.00 N ATOM 0 H LYS A 74 21.763 -10.558 -29.311 1.00 0.00 H new ATOM 0 HA LYS A 74 20.220 -12.596 -28.175 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.004 -12.715 -29.426 1.00 0.00 H new ATOM 0 HB3 LYS A 74 21.974 -14.104 -29.144 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.290 -13.178 -30.724 1.00 0.00 H new ATOM 0 HG3 LYS A 74 21.317 -11.786 -31.005 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.716 -13.282 -32.846 1.00 0.00 H new ATOM 0 HD3 LYS A 74 23.136 -13.389 -31.824 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.251 -15.490 -30.804 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.817 -15.379 -31.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 22.431 -16.895 -32.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 22.216 -15.562 -33.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 23.605 -15.669 -32.810 1.00 0.00 H new ATOM 1205 N ASP A 75 23.223 -12.166 -26.808 1.00 0.00 N ATOM 1206 CA ASP A 75 24.099 -12.435 -25.659 1.00 0.00 C ATOM 1207 C ASP A 75 23.477 -11.880 -24.378 1.00 0.00 C ATOM 1208 O ASP A 75 23.593 -12.482 -23.342 1.00 0.00 O ATOM 1209 CB ASP A 75 25.534 -11.834 -25.884 1.00 0.00 C ATOM 1210 CG ASP A 75 26.644 -12.897 -25.826 1.00 0.00 C ATOM 1211 OD1 ASP A 75 26.960 -13.382 -24.723 1.00 0.00 O ATOM 1212 OD2 ASP A 75 27.199 -13.262 -26.887 1.00 0.00 O ATOM 0 H ASP A 75 23.664 -11.596 -27.530 1.00 0.00 H new ATOM 0 HA ASP A 75 24.204 -13.515 -25.558 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.566 -11.335 -26.853 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.727 -11.073 -25.127 1.00 0.00 H new ATOM 1217 N PHE A 76 22.792 -10.738 -24.498 1.00 0.00 N ATOM 1218 CA PHE A 76 22.112 -10.063 -23.376 1.00 0.00 C ATOM 1219 C PHE A 76 21.000 -10.964 -22.785 1.00 0.00 C ATOM 1220 O PHE A 76 21.050 -11.355 -21.592 1.00 0.00 O ATOM 1221 CB PHE A 76 21.547 -8.709 -23.899 1.00 0.00 C ATOM 1222 CG PHE A 76 21.135 -7.693 -22.842 1.00 0.00 C ATOM 1223 CD1 PHE A 76 21.819 -7.589 -21.631 1.00 0.00 C ATOM 1224 CD2 PHE A 76 20.080 -6.812 -23.074 1.00 0.00 C ATOM 1225 CE1 PHE A 76 21.459 -6.645 -20.693 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.721 -5.869 -22.130 1.00 0.00 C ATOM 1227 CZ PHE A 76 20.412 -5.786 -20.941 1.00 0.00 C ATOM 0 H PHE A 76 22.690 -10.247 -25.386 1.00 0.00 H new ATOM 0 HA PHE A 76 22.815 -9.870 -22.566 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.300 -8.249 -24.539 1.00 0.00 H new ATOM 0 HB3 PHE A 76 20.681 -8.920 -24.526 1.00 0.00 H new ATOM 0 HD1 PHE A 76 22.642 -8.257 -21.425 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.535 -6.867 -24.005 1.00 0.00 H new ATOM 0 HE1 PHE A 76 22.000 -6.579 -19.761 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.898 -5.197 -22.324 1.00 0.00 H new ATOM 0 HZ PHE A 76 20.133 -5.048 -20.204 1.00 0.00 H new ATOM 1237 N CYS A 77 20.038 -11.336 -23.652 1.00 0.00 N ATOM 1238 CA CYS A 77 18.875 -12.160 -23.274 1.00 0.00 C ATOM 1239 C CYS A 77 19.296 -13.536 -22.711 1.00 0.00 C ATOM 1240 O CYS A 77 18.671 -14.047 -21.781 1.00 0.00 O ATOM 1241 CB CYS A 77 17.936 -12.337 -24.482 1.00 0.00 C ATOM 1242 SG CYS A 77 17.262 -10.781 -25.103 1.00 0.00 S ATOM 0 H CYS A 77 20.047 -11.072 -24.637 1.00 0.00 H new ATOM 0 HA CYS A 77 18.345 -11.635 -22.479 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.480 -12.835 -25.285 1.00 0.00 H new ATOM 0 HB3 CYS A 77 17.113 -12.993 -24.200 1.00 0.00 H new ATOM 0 HG CYS A 77 17.077 -10.870 -26.387 1.00 0.00 H new ATOM 1248 N GLU A 78 20.380 -14.098 -23.275 1.00 0.00 N ATOM 1249 CA GLU A 78 20.910 -15.422 -22.887 1.00 0.00 C ATOM 1250 C GLU A 78 21.746 -15.347 -21.586 1.00 0.00 C ATOM 1251 O GLU A 78 21.695 -16.259 -20.754 1.00 0.00 O ATOM 1252 CB GLU A 78 21.769 -16.003 -24.040 1.00 0.00 C ATOM 1253 CG GLU A 78 21.012 -16.247 -25.364 1.00 0.00 C ATOM 1254 CD GLU A 78 19.920 -17.325 -25.268 1.00 0.00 C ATOM 1255 OE1 GLU A 78 20.239 -18.525 -25.432 1.00 0.00 O ATOM 1256 OE2 GLU A 78 18.746 -16.981 -25.017 1.00 0.00 O ATOM 0 H GLU A 78 20.917 -13.647 -24.016 1.00 0.00 H new ATOM 0 HA GLU A 78 20.062 -16.079 -22.696 1.00 0.00 H new ATOM 0 HB2 GLU A 78 22.597 -15.322 -24.234 1.00 0.00 H new ATOM 0 HB3 GLU A 78 22.203 -16.946 -23.709 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.557 -15.311 -25.689 1.00 0.00 H new ATOM 0 HG3 GLU A 78 21.728 -16.537 -26.133 1.00 0.00 H new ATOM 1263 N HIS A 79 22.506 -14.243 -21.423 1.00 0.00 N ATOM 1264 CA HIS A 79 23.432 -14.044 -20.271 1.00 0.00 C ATOM 1265 C HIS A 79 22.665 -13.609 -19.016 1.00 0.00 C ATOM 1266 O HIS A 79 23.241 -13.577 -17.924 1.00 0.00 O ATOM 1267 CB HIS A 79 24.537 -13.000 -20.618 1.00 0.00 C ATOM 1268 CG HIS A 79 25.671 -12.868 -19.631 1.00 0.00 C ATOM 1269 ND1 HIS A 79 26.441 -13.936 -19.227 1.00 0.00 N ATOM 1270 CD2 HIS A 79 26.175 -11.788 -18.980 1.00 0.00 C ATOM 1271 CE1 HIS A 79 27.362 -13.524 -18.377 1.00 0.00 C ATOM 1272 NE2 HIS A 79 27.225 -12.225 -18.208 1.00 0.00 N ATOM 0 H HIS A 79 22.500 -13.463 -22.080 1.00 0.00 H new ATOM 0 HA HIS A 79 23.913 -15.000 -20.065 1.00 0.00 H new ATOM 0 HB2 HIS A 79 24.958 -13.259 -21.589 1.00 0.00 H new ATOM 0 HB3 HIS A 79 24.063 -12.024 -20.726 1.00 0.00 H new ATOM 0 HD2 HIS A 79 25.817 -10.772 -19.055 1.00 0.00 H new ATOM 0 HE1 HIS A 79 28.104 -14.147 -17.900 1.00 0.00 H new ATOM 0 HE2 HIS A 79 27.803 -11.640 -17.604 1.00 0.00 H new ATOM 1281 N GLY A 80 21.361 -13.280 -19.155 1.00 0.00 N ATOM 1282 CA GLY A 80 20.556 -12.942 -17.972 1.00 0.00 C ATOM 1283 C GLY A 80 20.276 -11.465 -17.855 1.00 0.00 C ATOM 1284 O GLY A 80 20.559 -10.863 -16.812 1.00 0.00 O ATOM 0 H GLY A 80 20.862 -13.243 -20.044 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.611 -13.483 -18.015 1.00 0.00 H new ATOM 0 HA3 GLY A 80 21.076 -13.280 -17.076 1.00 0.00 H new