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 32 LYS NZ :NH3+ -172:sc= 0.0435 (180deg=-0.0153) USER MOD Set 1.2: A 66 CYS SG : rot 180:sc= -1.73! USER MOD Set 2.1: A 33 ASN : amide:sc= -0.428 X(o=-0.71,f=-0.31) USER MOD Set 2.2: A 37 THR OG1 : rot 72:sc= 1.13 USER MOD Set 2.3: A 57 ASN : amide:sc= -1.42 K(o=-0.71,f=-4.2!) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 43:sc= 0.00333 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0.178 K(o=0.18,f=-1.1) USER MOD Single : A 23 GLN : amide:sc= -0.0431 X(o=-0.043,f=-0.19) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -64:sc= 0.956 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= -0.382 F(o=-2.2!,f=-0.38) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc=-0.00183 (180deg=-0.0575) USER MOD Single : A 42 ASN : amide:sc= 0.659 K(o=0.66,f=0) USER MOD Single : A 50 HIS :FLIP no HE2:sc= 0.101 F(o=-0.49,f=0.1) USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.117) USER MOD Single : A 54 THR OG1 : rot -170:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= -0.0377 (180deg=-0.264) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.178 F(o=-2.5,f=-0.18) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0304 F(o=-0.61,f=-0.03) USER MOD Single : A 73 TYR OH : rot 171:sc= 1.08 USER MOD Single : A 74 LYS NZ :NH3+ -140:sc= -0.0832 (180deg=-1.49!) USER MOD Single : A 77 CYS SG : rot 81:sc= 0.708 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 194 N MET A 13 9.625 -1.542 -21.999 1.00 0.00 N ATOM 195 CA MET A 13 9.236 -1.214 -23.387 1.00 0.00 C ATOM 196 C MET A 13 10.246 -1.870 -24.341 1.00 0.00 C ATOM 197 O MET A 13 11.388 -2.143 -23.940 1.00 0.00 O ATOM 198 CB MET A 13 9.192 0.336 -23.606 1.00 0.00 C ATOM 199 CG MET A 13 10.549 1.002 -23.909 1.00 0.00 C ATOM 200 SD MET A 13 11.814 0.664 -22.657 1.00 0.00 S ATOM 201 CE MET A 13 13.323 1.000 -23.569 1.00 0.00 C ATOM 0 HA MET A 13 8.235 -1.596 -23.587 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.510 0.550 -24.429 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.770 0.800 -22.714 1.00 0.00 H new ATOM 0 HG2 MET A 13 10.907 0.655 -24.879 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.406 2.080 -23.989 1.00 0.00 H new ATOM 0 HE1 MET A 13 14.184 0.833 -22.922 1.00 0.00 H new ATOM 0 HE2 MET A 13 13.383 0.336 -24.431 1.00 0.00 H new ATOM 0 HE3 MET A 13 13.320 2.036 -23.909 1.00 0.00 H new ATOM 211 N GLY A 14 9.815 -2.124 -25.588 1.00 0.00 N ATOM 212 CA GLY A 14 10.700 -2.633 -26.638 1.00 0.00 C ATOM 213 C GLY A 14 11.336 -3.976 -26.310 1.00 0.00 C ATOM 214 O GLY A 14 12.520 -4.199 -26.575 1.00 0.00 O ATOM 0 H GLY A 14 8.851 -1.982 -25.890 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.133 -2.727 -27.564 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.489 -1.903 -26.820 1.00 0.00 H new ATOM 218 N CYS A 15 10.552 -4.862 -25.702 1.00 0.00 N ATOM 219 CA CYS A 15 10.991 -6.222 -25.379 1.00 0.00 C ATOM 220 C CYS A 15 10.726 -7.142 -26.590 1.00 0.00 C ATOM 221 O CYS A 15 9.615 -7.662 -26.758 1.00 0.00 O ATOM 222 CB CYS A 15 10.258 -6.699 -24.109 1.00 0.00 C ATOM 223 SG CYS A 15 8.462 -6.556 -24.181 1.00 0.00 S ATOM 0 H CYS A 15 9.593 -4.660 -25.418 1.00 0.00 H new ATOM 0 HA CYS A 15 12.061 -6.248 -25.174 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.519 -7.741 -23.924 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.621 -6.123 -23.258 1.00 0.00 H new ATOM 0 HG CYS A 15 8.041 -6.962 -25.342 1.00 0.00 H new ATOM 229 N TRP A 16 11.741 -7.289 -27.467 1.00 0.00 N ATOM 230 CA TRP A 16 11.598 -8.007 -28.754 1.00 0.00 C ATOM 231 C TRP A 16 12.130 -9.445 -28.653 1.00 0.00 C ATOM 232 O TRP A 16 12.673 -9.865 -27.619 1.00 0.00 O ATOM 233 CB TRP A 16 12.359 -7.254 -29.891 1.00 0.00 C ATOM 234 CG TRP A 16 12.166 -5.751 -29.878 1.00 0.00 C ATOM 235 CD1 TRP A 16 11.019 -5.054 -30.157 1.00 0.00 C ATOM 236 CD2 TRP A 16 13.159 -4.773 -29.558 1.00 0.00 C ATOM 237 NE1 TRP A 16 11.247 -3.709 -30.021 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.552 -3.511 -29.659 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.505 -4.841 -29.201 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.246 -2.333 -29.403 1.00 0.00 C ATOM 241 CZ3 TRP A 16 15.191 -3.670 -28.951 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.561 -2.427 -29.057 1.00 0.00 C ATOM 0 H TRP A 16 12.677 -6.917 -27.306 1.00 0.00 H new ATOM 0 HA TRP A 16 10.535 -8.043 -28.991 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.423 -7.473 -29.807 1.00 0.00 H new ATOM 0 HB3 TRP A 16 12.028 -7.643 -30.854 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.077 -5.498 -30.441 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.555 -2.974 -30.166 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.003 -5.796 -29.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 12.757 -1.373 -29.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.232 -3.715 -28.669 1.00 0.00 H new ATOM 0 HH2 TRP A 16 15.125 -1.527 -28.862 1.00 0.00 H new ATOM 253 N SER A 17 11.946 -10.196 -29.745 1.00 0.00 N ATOM 254 CA SER A 17 12.618 -11.485 -29.964 1.00 0.00 C ATOM 255 C SER A 17 13.866 -11.262 -30.845 1.00 0.00 C ATOM 256 O SER A 17 13.985 -10.214 -31.507 1.00 0.00 O ATOM 257 CB SER A 17 11.644 -12.479 -30.625 1.00 0.00 C ATOM 258 OG SER A 17 10.472 -12.639 -29.844 1.00 0.00 O ATOM 0 H SER A 17 11.323 -9.926 -30.507 1.00 0.00 H new ATOM 0 HA SER A 17 12.933 -11.907 -29.010 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.376 -12.124 -31.620 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.135 -13.444 -30.752 1.00 0.00 H new ATOM 0 HG SER A 17 9.869 -13.273 -30.285 1.00 0.00 H new ATOM 264 N ILE A 18 14.772 -12.259 -30.859 1.00 0.00 N ATOM 265 CA ILE A 18 16.048 -12.211 -31.610 1.00 0.00 C ATOM 266 C ILE A 18 15.807 -11.930 -33.110 1.00 0.00 C ATOM 267 O ILE A 18 16.471 -11.081 -33.712 1.00 0.00 O ATOM 268 CB ILE A 18 16.842 -13.571 -31.463 1.00 0.00 C ATOM 269 CG1 ILE A 18 17.090 -13.938 -29.959 1.00 0.00 C ATOM 270 CG2 ILE A 18 18.172 -13.548 -32.270 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.967 -12.968 -29.187 1.00 0.00 C ATOM 0 H ILE A 18 14.640 -13.130 -30.345 1.00 0.00 H new ATOM 0 HA ILE A 18 16.638 -11.398 -31.186 1.00 0.00 H new ATOM 0 HB ILE A 18 16.216 -14.355 -31.889 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.125 -14.008 -29.456 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.545 -14.927 -29.915 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.690 -14.499 -32.145 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.954 -13.390 -33.326 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.805 -12.739 -31.905 1.00 0.00 H new ATOM 0 HD11 ILE A 18 18.075 -13.314 -28.159 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.949 -12.913 -29.656 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.507 -11.980 -29.191 1.00 0.00 H new ATOM 283 N GLU A 19 14.827 -12.643 -33.683 1.00 0.00 N ATOM 284 CA GLU A 19 14.529 -12.586 -35.124 1.00 0.00 C ATOM 285 C GLU A 19 13.853 -11.265 -35.523 1.00 0.00 C ATOM 286 O GLU A 19 14.054 -10.796 -36.638 1.00 0.00 O ATOM 287 CB GLU A 19 13.700 -13.820 -35.552 1.00 0.00 C ATOM 288 CG GLU A 19 14.474 -15.143 -35.406 1.00 0.00 C ATOM 289 CD GLU A 19 13.636 -16.390 -35.728 1.00 0.00 C ATOM 290 OE1 GLU A 19 12.948 -16.901 -34.818 1.00 0.00 O ATOM 291 OE2 GLU A 19 13.663 -16.866 -36.890 1.00 0.00 O ATOM 0 H GLU A 19 14.219 -13.275 -33.163 1.00 0.00 H new ATOM 0 HA GLU A 19 15.475 -12.614 -35.665 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.792 -13.868 -34.950 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.389 -13.700 -36.590 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.342 -15.120 -36.065 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.850 -15.223 -34.386 1.00 0.00 H new ATOM 298 N HIS A 20 13.084 -10.643 -34.605 1.00 0.00 N ATOM 299 CA HIS A 20 12.533 -9.284 -34.844 1.00 0.00 C ATOM 300 C HIS A 20 13.697 -8.292 -35.005 1.00 0.00 C ATOM 301 O HIS A 20 13.722 -7.501 -35.947 1.00 0.00 O ATOM 302 CB HIS A 20 11.599 -8.828 -33.683 1.00 0.00 C ATOM 303 CG HIS A 20 10.995 -7.441 -33.877 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.780 -7.223 -34.494 1.00 0.00 N ATOM 305 CD2 HIS A 20 11.467 -6.208 -33.561 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.534 -5.926 -34.551 1.00 0.00 C ATOM 307 NE2 HIS A 20 10.542 -5.289 -33.992 1.00 0.00 N ATOM 0 H HIS A 20 12.831 -11.049 -33.704 1.00 0.00 H new ATOM 0 HA HIS A 20 11.933 -9.310 -35.754 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.792 -9.552 -33.575 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.164 -8.839 -32.751 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.400 -5.990 -33.062 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.657 -5.467 -34.982 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.623 -4.277 -33.895 1.00 0.00 H new ATOM 316 N VAL A 21 14.666 -8.396 -34.087 1.00 0.00 N ATOM 317 CA VAL A 21 15.865 -7.548 -34.073 1.00 0.00 C ATOM 318 C VAL A 21 16.632 -7.667 -35.403 1.00 0.00 C ATOM 319 O VAL A 21 16.718 -6.693 -36.138 1.00 0.00 O ATOM 320 CB VAL A 21 16.779 -7.908 -32.844 1.00 0.00 C ATOM 321 CG1 VAL A 21 18.187 -7.261 -32.931 1.00 0.00 C ATOM 322 CG2 VAL A 21 16.065 -7.516 -31.528 1.00 0.00 C ATOM 0 H VAL A 21 14.640 -9.076 -33.327 1.00 0.00 H new ATOM 0 HA VAL A 21 15.556 -6.508 -33.965 1.00 0.00 H new ATOM 0 HB VAL A 21 16.941 -8.986 -32.860 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.772 -7.545 -32.056 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.691 -7.607 -33.833 1.00 0.00 H new ATOM 0 HG13 VAL A 21 18.087 -6.176 -32.965 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.702 -7.767 -30.680 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.866 -6.444 -31.527 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.124 -8.060 -31.449 1.00 0.00 H new ATOM 332 N GLU A 22 17.092 -8.884 -35.737 1.00 0.00 N ATOM 333 CA GLU A 22 17.994 -9.105 -36.886 1.00 0.00 C ATOM 334 C GLU A 22 17.322 -8.816 -38.241 1.00 0.00 C ATOM 335 O GLU A 22 17.923 -8.170 -39.111 1.00 0.00 O ATOM 336 CB GLU A 22 18.573 -10.541 -36.859 1.00 0.00 C ATOM 337 CG GLU A 22 17.556 -11.690 -36.961 1.00 0.00 C ATOM 338 CD GLU A 22 18.214 -13.077 -36.961 1.00 0.00 C ATOM 339 OE1 GLU A 22 18.659 -13.533 -38.041 1.00 0.00 O ATOM 340 OE2 GLU A 22 18.313 -13.707 -35.885 1.00 0.00 O ATOM 0 H GLU A 22 16.854 -9.735 -35.227 1.00 0.00 H new ATOM 0 HA GLU A 22 18.810 -8.390 -36.783 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.283 -10.639 -37.681 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.137 -10.665 -35.934 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.858 -11.625 -36.126 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.972 -11.571 -37.874 1.00 0.00 H new ATOM 347 N GLN A 23 16.068 -9.272 -38.400 1.00 0.00 N ATOM 348 CA GLN A 23 15.340 -9.184 -39.678 1.00 0.00 C ATOM 349 C GLN A 23 14.823 -7.763 -39.935 1.00 0.00 C ATOM 350 O GLN A 23 14.649 -7.369 -41.091 1.00 0.00 O ATOM 351 CB GLN A 23 14.174 -10.210 -39.704 1.00 0.00 C ATOM 352 CG GLN A 23 14.620 -11.688 -39.579 1.00 0.00 C ATOM 353 CD GLN A 23 15.618 -12.146 -40.652 1.00 0.00 C ATOM 354 OE1 GLN A 23 15.576 -11.695 -41.797 1.00 0.00 O ATOM 355 NE2 GLN A 23 16.534 -13.030 -40.280 1.00 0.00 N ATOM 0 H GLN A 23 15.532 -9.710 -37.651 1.00 0.00 H new ATOM 0 HA GLN A 23 16.037 -9.426 -40.480 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.486 -9.981 -38.890 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.619 -10.088 -40.634 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.069 -11.837 -38.597 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.737 -12.326 -39.626 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.542 -13.384 -39.324 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.231 -13.355 -40.950 1.00 0.00 H new ATOM 364 N TYR A 24 14.577 -6.994 -38.855 1.00 0.00 N ATOM 365 CA TYR A 24 14.034 -5.627 -38.952 1.00 0.00 C ATOM 366 C TYR A 24 15.085 -4.559 -38.586 1.00 0.00 C ATOM 367 O TYR A 24 14.750 -3.379 -38.596 1.00 0.00 O ATOM 368 CB TYR A 24 12.756 -5.480 -38.071 1.00 0.00 C ATOM 369 CG TYR A 24 11.554 -6.319 -38.548 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.573 -7.713 -38.493 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.412 -5.715 -39.074 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.503 -8.469 -38.935 1.00 0.00 C ATOM 373 CE2 TYR A 24 9.338 -6.469 -39.516 1.00 0.00 C ATOM 374 CZ TYR A 24 9.389 -7.842 -39.448 1.00 0.00 C ATOM 375 OH TYR A 24 8.320 -8.595 -39.899 1.00 0.00 O ATOM 0 H TYR A 24 14.748 -7.302 -37.898 1.00 0.00 H new ATOM 0 HA TYR A 24 13.758 -5.458 -39.993 1.00 0.00 H new ATOM 0 HB2 TYR A 24 13.000 -5.766 -37.048 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.464 -4.430 -38.048 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.444 -8.213 -38.096 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.365 -4.638 -39.138 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.541 -9.547 -38.878 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.461 -5.980 -39.914 1.00 0.00 H new ATOM 0 HH TYR A 24 7.616 -7.999 -40.228 1.00 0.00 H new ATOM 385 N LEU A 25 16.347 -4.953 -38.266 1.00 0.00 N ATOM 386 CA LEU A 25 17.436 -3.971 -38.001 1.00 0.00 C ATOM 387 C LEU A 25 17.669 -3.079 -39.239 1.00 0.00 C ATOM 388 O LEU A 25 18.166 -3.542 -40.271 1.00 0.00 O ATOM 389 CB LEU A 25 18.763 -4.680 -37.555 1.00 0.00 C ATOM 390 CG LEU A 25 19.115 -4.586 -36.029 1.00 0.00 C ATOM 391 CD1 LEU A 25 20.346 -5.422 -35.686 1.00 0.00 C ATOM 392 CD2 LEU A 25 19.320 -3.123 -35.580 1.00 0.00 C ATOM 0 H LEU A 25 16.634 -5.929 -38.186 1.00 0.00 H new ATOM 0 HA LEU A 25 17.120 -3.337 -37.173 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.698 -5.733 -37.828 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.588 -4.253 -38.125 1.00 0.00 H new ATOM 0 HG LEU A 25 18.263 -4.992 -35.484 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.561 -5.333 -34.621 1.00 0.00 H new ATOM 0 HD12 LEU A 25 20.156 -6.467 -35.932 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.201 -5.063 -36.260 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.562 -3.099 -34.518 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.137 -2.679 -36.149 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.406 -2.557 -35.757 1.00 0.00 H new ATOM 404 N GLY A 26 17.316 -1.794 -39.092 1.00 0.00 N ATOM 405 CA GLY A 26 17.360 -0.818 -40.182 1.00 0.00 C ATOM 406 C GLY A 26 15.985 -0.533 -40.791 1.00 0.00 C ATOM 407 O GLY A 26 15.900 -0.072 -41.934 1.00 0.00 O ATOM 0 H GLY A 26 16.991 -1.404 -38.207 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.786 0.114 -39.810 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.027 -1.184 -40.962 1.00 0.00 H new ATOM 411 N THR A 27 14.897 -0.809 -40.029 1.00 0.00 N ATOM 412 CA THR A 27 13.511 -0.435 -40.429 1.00 0.00 C ATOM 413 C THR A 27 12.904 0.527 -39.387 1.00 0.00 C ATOM 414 O THR A 27 13.572 0.919 -38.423 1.00 0.00 O ATOM 415 CB THR A 27 12.561 -1.683 -40.573 1.00 0.00 C ATOM 416 OG1 THR A 27 12.257 -2.238 -39.279 1.00 0.00 O ATOM 417 CG2 THR A 27 13.166 -2.782 -41.469 1.00 0.00 C ATOM 0 H THR A 27 14.950 -1.290 -39.131 1.00 0.00 H new ATOM 0 HA THR A 27 13.587 0.045 -41.405 1.00 0.00 H new ATOM 0 HB THR A 27 11.647 -1.327 -41.049 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.079 -2.579 -38.868 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.472 -3.620 -41.536 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.347 -2.380 -42.466 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.108 -3.124 -41.040 1.00 0.00 H new ATOM 425 N ASP A 28 11.627 0.898 -39.592 1.00 0.00 N ATOM 426 CA ASP A 28 10.844 1.686 -38.623 1.00 0.00 C ATOM 427 C ASP A 28 10.462 0.827 -37.397 1.00 0.00 C ATOM 428 O ASP A 28 10.397 1.334 -36.273 1.00 0.00 O ATOM 429 CB ASP A 28 9.557 2.227 -39.292 1.00 0.00 C ATOM 430 CG ASP A 28 9.831 3.115 -40.519 1.00 0.00 C ATOM 431 OD1 ASP A 28 10.061 2.571 -41.623 1.00 0.00 O ATOM 432 OD2 ASP A 28 9.823 4.364 -40.394 1.00 0.00 O ATOM 0 H ASP A 28 11.108 0.659 -40.437 1.00 0.00 H new ATOM 0 HA ASP A 28 11.461 2.521 -38.290 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.933 1.386 -39.594 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.988 2.799 -38.559 1.00 0.00 H new ATOM 437 N GLU A 29 10.218 -0.478 -37.640 1.00 0.00 N ATOM 438 CA GLU A 29 9.799 -1.439 -36.597 1.00 0.00 C ATOM 439 C GLU A 29 10.973 -1.841 -35.692 1.00 0.00 C ATOM 440 O GLU A 29 10.758 -2.300 -34.562 1.00 0.00 O ATOM 441 CB GLU A 29 9.173 -2.705 -37.230 1.00 0.00 C ATOM 442 CG GLU A 29 7.857 -2.459 -37.996 1.00 0.00 C ATOM 443 CD GLU A 29 7.185 -3.759 -38.466 1.00 0.00 C ATOM 444 OE1 GLU A 29 6.844 -4.600 -37.601 1.00 0.00 O ATOM 445 OE2 GLU A 29 7.006 -3.959 -39.689 1.00 0.00 O ATOM 0 H GLU A 29 10.306 -0.896 -38.566 1.00 0.00 H new ATOM 0 HA GLU A 29 9.049 -0.938 -35.985 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.897 -3.149 -37.913 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.988 -3.435 -36.442 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.167 -1.911 -37.355 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.059 -1.827 -38.861 1.00 0.00 H new ATOM 452 N LEU A 30 12.207 -1.713 -36.207 1.00 0.00 N ATOM 453 CA LEU A 30 13.416 -1.908 -35.399 1.00 0.00 C ATOM 454 C LEU A 30 14.550 -1.026 -35.963 1.00 0.00 C ATOM 455 O LEU A 30 15.320 -1.466 -36.825 1.00 0.00 O ATOM 456 CB LEU A 30 13.802 -3.425 -35.338 1.00 0.00 C ATOM 457 CG LEU A 30 14.628 -3.911 -34.102 1.00 0.00 C ATOM 458 CD1 LEU A 30 16.074 -3.394 -34.096 1.00 0.00 C ATOM 459 CD2 LEU A 30 13.913 -3.525 -32.807 1.00 0.00 C ATOM 0 H LEU A 30 12.391 -1.475 -37.182 1.00 0.00 H new ATOM 0 HA LEU A 30 13.232 -1.598 -34.370 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.882 -4.008 -35.378 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.370 -3.664 -36.237 1.00 0.00 H new ATOM 0 HG LEU A 30 14.693 -4.997 -34.175 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.591 -3.768 -33.212 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.589 -3.742 -34.992 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.071 -2.304 -34.080 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.497 -3.868 -31.953 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.804 -2.441 -32.760 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.927 -3.990 -32.783 1.00 0.00 H new ATOM 471 N PRO A 31 14.626 0.271 -35.535 1.00 0.00 N ATOM 472 CA PRO A 31 15.798 1.115 -35.804 1.00 0.00 C ATOM 473 C PRO A 31 17.050 0.586 -35.089 1.00 0.00 C ATOM 474 O PRO A 31 16.954 0.002 -33.999 1.00 0.00 O ATOM 475 CB PRO A 31 15.396 2.515 -35.262 1.00 0.00 C ATOM 476 CG PRO A 31 13.905 2.467 -35.141 1.00 0.00 C ATOM 477 CD PRO A 31 13.565 1.028 -34.822 1.00 0.00 C ATOM 0 HA PRO A 31 16.054 1.134 -36.863 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.864 2.715 -34.298 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.712 3.307 -35.941 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.555 3.135 -34.355 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.427 2.786 -36.067 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.584 0.837 -33.749 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.570 0.760 -35.176 1.00 0.00 H new ATOM 485 N LYS A 32 18.217 0.811 -35.709 1.00 0.00 N ATOM 486 CA LYS A 32 19.517 0.502 -35.103 1.00 0.00 C ATOM 487 C LYS A 32 19.708 1.323 -33.824 1.00 0.00 C ATOM 488 O LYS A 32 20.229 0.815 -32.839 1.00 0.00 O ATOM 489 CB LYS A 32 20.666 0.784 -36.092 1.00 0.00 C ATOM 490 CG LYS A 32 20.561 0.005 -37.403 1.00 0.00 C ATOM 491 CD LYS A 32 21.765 0.274 -38.330 1.00 0.00 C ATOM 492 CE LYS A 32 21.442 -0.017 -39.795 1.00 0.00 C ATOM 493 NZ LYS A 32 20.995 -1.411 -40.024 1.00 0.00 N ATOM 0 H LYS A 32 18.285 1.212 -36.644 1.00 0.00 H new ATOM 0 HA LYS A 32 19.536 -0.559 -34.853 1.00 0.00 H new ATOM 0 HB2 LYS A 32 20.686 1.851 -36.315 1.00 0.00 H new ATOM 0 HB3 LYS A 32 21.614 0.541 -35.611 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.500 -1.062 -37.188 1.00 0.00 H new ATOM 0 HG3 LYS A 32 19.639 0.280 -37.916 1.00 0.00 H new ATOM 0 HD2 LYS A 32 22.075 1.314 -38.228 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.608 -0.342 -38.016 1.00 0.00 H new ATOM 0 HE2 LYS A 32 20.664 0.668 -40.133 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.326 0.180 -40.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 20.921 -1.588 -41.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 21.684 -2.069 -39.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 20.066 -1.555 -39.580 1.00 0.00 H new ATOM 507 N ASN A 33 19.214 2.580 -33.854 1.00 0.00 N ATOM 508 CA ASN A 33 19.327 3.512 -32.719 1.00 0.00 C ATOM 509 C ASN A 33 18.544 2.955 -31.525 1.00 0.00 C ATOM 510 O ASN A 33 19.070 2.843 -30.427 1.00 0.00 O ATOM 511 CB ASN A 33 18.775 4.916 -33.095 1.00 0.00 C ATOM 512 CG ASN A 33 19.035 5.991 -32.023 1.00 0.00 C ATOM 513 OD1 ASN A 33 19.932 6.815 -32.157 1.00 0.00 O ATOM 514 ND2 ASN A 33 18.294 5.948 -30.922 1.00 0.00 N ATOM 0 H ASN A 33 18.729 2.972 -34.662 1.00 0.00 H new ATOM 0 HA ASN A 33 20.380 3.616 -32.458 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.227 5.235 -34.034 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.701 4.840 -33.268 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.466 6.610 -30.165 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.553 5.253 -30.833 1.00 0.00 H new ATOM 521 N ASP A 34 17.282 2.591 -31.795 1.00 0.00 N ATOM 522 CA ASP A 34 16.320 2.072 -30.793 1.00 0.00 C ATOM 523 C ASP A 34 16.834 0.779 -30.125 1.00 0.00 C ATOM 524 O ASP A 34 16.626 0.559 -28.927 1.00 0.00 O ATOM 525 CB ASP A 34 14.962 1.834 -31.498 1.00 0.00 C ATOM 526 CG ASP A 34 13.808 1.418 -30.569 1.00 0.00 C ATOM 527 OD1 ASP A 34 13.580 2.099 -29.545 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.080 0.455 -30.895 1.00 0.00 O ATOM 0 H ASP A 34 16.887 2.648 -32.734 1.00 0.00 H new ATOM 0 HA ASP A 34 16.200 2.805 -29.995 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.676 2.747 -32.020 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.094 1.062 -32.256 1.00 0.00 H new ATOM 533 N LEU A 35 17.542 -0.044 -30.918 1.00 0.00 N ATOM 534 CA LEU A 35 18.190 -1.283 -30.438 1.00 0.00 C ATOM 535 C LEU A 35 19.299 -0.931 -29.415 1.00 0.00 C ATOM 536 O LEU A 35 19.270 -1.387 -28.269 1.00 0.00 O ATOM 537 CB LEU A 35 18.746 -2.077 -31.671 1.00 0.00 C ATOM 538 CG LEU A 35 19.210 -3.567 -31.461 1.00 0.00 C ATOM 539 CD1 LEU A 35 20.570 -3.684 -30.754 1.00 0.00 C ATOM 540 CD2 LEU A 35 18.134 -4.387 -30.732 1.00 0.00 C ATOM 0 H LEU A 35 17.683 0.130 -31.913 1.00 0.00 H new ATOM 0 HA LEU A 35 17.470 -1.920 -29.925 1.00 0.00 H new ATOM 0 HB2 LEU A 35 17.974 -2.076 -32.441 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.594 -1.519 -32.069 1.00 0.00 H new ATOM 0 HG LEU A 35 19.347 -3.986 -32.458 1.00 0.00 H new ATOM 0 HD11 LEU A 35 20.832 -4.736 -30.640 1.00 0.00 H new ATOM 0 HD12 LEU A 35 21.334 -3.183 -31.349 1.00 0.00 H new ATOM 0 HD13 LEU A 35 20.511 -3.217 -29.771 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.483 -5.411 -30.602 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.938 -3.944 -29.756 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.217 -4.389 -31.321 1.00 0.00 H new ATOM 552 N ILE A 36 20.244 -0.082 -29.857 1.00 0.00 N ATOM 553 CA ILE A 36 21.404 0.367 -29.043 1.00 0.00 C ATOM 554 C ILE A 36 20.936 1.089 -27.761 1.00 0.00 C ATOM 555 O ILE A 36 21.538 0.930 -26.695 1.00 0.00 O ATOM 556 CB ILE A 36 22.328 1.317 -29.897 1.00 0.00 C ATOM 557 CG1 ILE A 36 22.833 0.578 -31.182 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.530 1.867 -29.078 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.454 1.480 -32.240 1.00 0.00 C ATOM 0 H ILE A 36 20.230 0.319 -30.795 1.00 0.00 H new ATOM 0 HA ILE A 36 21.974 -0.513 -28.746 1.00 0.00 H new ATOM 0 HB ILE A 36 21.722 2.174 -30.192 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.568 -0.171 -30.887 1.00 0.00 H new ATOM 0 HG13 ILE A 36 21.995 0.043 -31.628 1.00 0.00 H new ATOM 0 HG21 ILE A 36 24.135 2.516 -29.711 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.159 2.436 -28.225 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.139 1.036 -28.723 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.773 0.877 -33.090 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.718 2.213 -32.570 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.316 1.996 -31.818 1.00 0.00 H new ATOM 571 N THR A 37 19.830 1.848 -27.891 1.00 0.00 N ATOM 572 CA THR A 37 19.219 2.601 -26.788 1.00 0.00 C ATOM 573 C THR A 37 18.711 1.627 -25.707 1.00 0.00 C ATOM 574 O THR A 37 19.064 1.761 -24.533 1.00 0.00 O ATOM 575 CB THR A 37 18.052 3.512 -27.303 1.00 0.00 C ATOM 576 OG1 THR A 37 18.558 4.474 -28.248 1.00 0.00 O ATOM 577 CG2 THR A 37 17.336 4.259 -26.159 1.00 0.00 C ATOM 0 H THR A 37 19.334 1.954 -28.776 1.00 0.00 H new ATOM 0 HA THR A 37 19.978 3.251 -26.352 1.00 0.00 H new ATOM 0 HB THR A 37 17.325 2.855 -27.780 1.00 0.00 H new ATOM 0 HG1 THR A 37 18.786 4.020 -29.086 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.537 4.875 -26.571 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.914 3.536 -25.461 1.00 0.00 H new ATOM 0 HG23 THR A 37 18.051 4.894 -25.636 1.00 0.00 H new ATOM 585 N TYR A 38 17.936 0.606 -26.140 1.00 0.00 N ATOM 586 CA TYR A 38 17.412 -0.457 -25.246 1.00 0.00 C ATOM 587 C TYR A 38 18.563 -1.151 -24.498 1.00 0.00 C ATOM 588 O TYR A 38 18.467 -1.413 -23.308 1.00 0.00 O ATOM 589 CB TYR A 38 16.602 -1.497 -26.069 1.00 0.00 C ATOM 590 CG TYR A 38 16.020 -2.677 -25.259 1.00 0.00 C ATOM 591 CD1 TYR A 38 16.749 -3.861 -25.068 1.00 0.00 C ATOM 592 CD2 TYR A 38 14.747 -2.611 -24.686 1.00 0.00 C ATOM 593 CE1 TYR A 38 16.228 -4.923 -24.357 1.00 0.00 C ATOM 594 CE2 TYR A 38 14.228 -3.678 -23.968 1.00 0.00 C ATOM 595 CZ TYR A 38 14.971 -4.826 -23.806 1.00 0.00 C ATOM 596 OH TYR A 38 14.453 -5.888 -23.097 1.00 0.00 O ATOM 0 H TYR A 38 17.656 0.494 -27.115 1.00 0.00 H new ATOM 0 HA TYR A 38 16.752 0.003 -24.511 1.00 0.00 H new ATOM 0 HB2 TYR A 38 15.781 -0.981 -26.567 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.247 -1.898 -26.850 1.00 0.00 H new ATOM 0 HD1 TYR A 38 17.741 -3.943 -25.487 1.00 0.00 H new ATOM 0 HD2 TYR A 38 14.157 -1.714 -24.804 1.00 0.00 H new ATOM 0 HE1 TYR A 38 16.805 -5.827 -24.234 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.241 -3.609 -23.536 1.00 0.00 H new ATOM 0 HH TYR A 38 13.557 -5.659 -22.773 1.00 0.00 H new ATOM 606 N LEU A 39 19.649 -1.430 -25.225 1.00 0.00 N ATOM 607 CA LEU A 39 20.831 -2.121 -24.673 1.00 0.00 C ATOM 608 C LEU A 39 21.519 -1.281 -23.580 1.00 0.00 C ATOM 609 O LEU A 39 21.846 -1.802 -22.527 1.00 0.00 O ATOM 610 CB LEU A 39 21.818 -2.512 -25.818 1.00 0.00 C ATOM 611 CG LEU A 39 21.595 -3.923 -26.466 1.00 0.00 C ATOM 612 CD1 LEU A 39 20.121 -4.175 -26.847 1.00 0.00 C ATOM 613 CD2 LEU A 39 22.506 -4.115 -27.693 1.00 0.00 C ATOM 0 H LEU A 39 19.739 -1.186 -26.211 1.00 0.00 H new ATOM 0 HA LEU A 39 20.496 -3.041 -24.193 1.00 0.00 H new ATOM 0 HB2 LEU A 39 21.749 -1.759 -26.603 1.00 0.00 H new ATOM 0 HB3 LEU A 39 22.834 -2.471 -25.425 1.00 0.00 H new ATOM 0 HG LEU A 39 21.862 -4.659 -25.707 1.00 0.00 H new ATOM 0 HD11 LEU A 39 20.024 -5.166 -27.291 1.00 0.00 H new ATOM 0 HD12 LEU A 39 19.499 -4.115 -25.954 1.00 0.00 H new ATOM 0 HD13 LEU A 39 19.797 -3.422 -27.566 1.00 0.00 H new ATOM 0 HD21 LEU A 39 22.332 -5.101 -28.124 1.00 0.00 H new ATOM 0 HD22 LEU A 39 22.282 -3.349 -28.436 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.549 -4.031 -27.388 1.00 0.00 H new ATOM 625 N GLN A 40 21.711 0.024 -23.813 1.00 0.00 N ATOM 626 CA GLN A 40 22.388 0.905 -22.830 1.00 0.00 C ATOM 627 C GLN A 40 21.465 1.305 -21.665 1.00 0.00 C ATOM 628 O GLN A 40 21.948 1.761 -20.616 1.00 0.00 O ATOM 629 CB GLN A 40 23.059 2.122 -23.523 1.00 0.00 C ATOM 630 CG GLN A 40 22.125 3.052 -24.315 1.00 0.00 C ATOM 631 CD GLN A 40 22.848 3.871 -25.401 1.00 0.00 C ATOM 632 OE1 GLN A 40 23.829 3.258 -26.076 1.00 0.00 O flip ATOM 633 NE2 GLN A 40 22.488 5.014 -25.672 1.00 0.00 N flip ATOM 0 H GLN A 40 21.412 0.498 -24.665 1.00 0.00 H new ATOM 0 HA GLN A 40 23.192 0.325 -22.376 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.566 2.714 -22.761 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.827 1.750 -24.201 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.342 2.455 -24.783 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.634 3.736 -23.623 1.00 0.00 H new ATOM 0 HE21 GLN A 40 21.737 5.452 -25.138 1.00 0.00 H new ATOM 0 HE22 GLN A 40 22.940 5.525 -26.431 1.00 0.00 H new ATOM 642 N LYS A 41 20.146 1.140 -21.848 1.00 0.00 N ATOM 643 CA LYS A 41 19.159 1.344 -20.766 1.00 0.00 C ATOM 644 C LYS A 41 19.065 0.099 -19.854 1.00 0.00 C ATOM 645 O LYS A 41 19.188 0.202 -18.630 1.00 0.00 O ATOM 646 CB LYS A 41 17.758 1.688 -21.351 1.00 0.00 C ATOM 647 CG LYS A 41 17.675 3.071 -22.041 1.00 0.00 C ATOM 648 CD LYS A 41 16.242 3.439 -22.506 1.00 0.00 C ATOM 649 CE LYS A 41 15.243 3.532 -21.335 1.00 0.00 C ATOM 650 NZ LYS A 41 15.653 4.534 -20.314 1.00 0.00 N ATOM 0 H LYS A 41 19.732 0.864 -22.739 1.00 0.00 H new ATOM 0 HA LYS A 41 19.501 2.185 -20.163 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.480 0.919 -22.071 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.023 1.652 -20.547 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.033 3.835 -21.352 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.343 3.080 -22.902 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.269 4.393 -23.032 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.892 2.692 -23.218 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.258 3.794 -21.722 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.150 2.554 -20.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.894 4.644 -19.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.520 4.211 -19.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.832 5.448 -20.777 1.00 0.00 H new ATOM 664 N ASN A 42 18.874 -1.077 -20.470 1.00 0.00 N ATOM 665 CA ASN A 42 18.507 -2.324 -19.758 1.00 0.00 C ATOM 666 C ASN A 42 19.740 -3.139 -19.316 1.00 0.00 C ATOM 667 O ASN A 42 19.692 -3.807 -18.276 1.00 0.00 O ATOM 668 CB ASN A 42 17.560 -3.183 -20.650 1.00 0.00 C ATOM 669 CG ASN A 42 16.162 -2.569 -20.797 1.00 0.00 C ATOM 670 OD1 ASN A 42 15.262 -2.857 -20.005 1.00 0.00 O ATOM 671 ND2 ASN A 42 15.965 -1.718 -21.794 1.00 0.00 N ATOM 0 H ASN A 42 18.968 -1.197 -21.478 1.00 0.00 H new ATOM 0 HA ASN A 42 17.983 -2.040 -18.845 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.006 -3.300 -21.638 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.470 -4.181 -20.221 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.051 -1.283 -21.921 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.728 -1.498 -22.435 1.00 0.00 H new ATOM 678 N ALA A 43 20.833 -3.102 -20.099 1.00 0.00 N ATOM 679 CA ALA A 43 22.093 -3.807 -19.743 1.00 0.00 C ATOM 680 C ALA A 43 22.964 -2.943 -18.824 1.00 0.00 C ATOM 681 O ALA A 43 22.717 -1.740 -18.667 1.00 0.00 O ATOM 682 CB ALA A 43 22.877 -4.217 -21.005 1.00 0.00 C ATOM 0 H ALA A 43 20.876 -2.594 -20.983 1.00 0.00 H new ATOM 0 HA ALA A 43 21.823 -4.715 -19.203 1.00 0.00 H new ATOM 0 HB1 ALA A 43 23.793 -4.730 -20.713 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.265 -4.884 -21.613 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.128 -3.327 -21.583 1.00 0.00 H new ATOM 688 N ASP A 44 23.972 -3.578 -18.208 1.00 0.00 N ATOM 689 CA ASP A 44 24.942 -2.903 -17.323 1.00 0.00 C ATOM 690 C ASP A 44 25.970 -2.147 -18.171 1.00 0.00 C ATOM 691 O ASP A 44 26.221 -2.533 -19.315 1.00 0.00 O ATOM 692 CB ASP A 44 25.668 -3.938 -16.422 1.00 0.00 C ATOM 693 CG ASP A 44 24.709 -4.938 -15.747 1.00 0.00 C ATOM 694 OD1 ASP A 44 24.325 -5.936 -16.403 1.00 0.00 O ATOM 695 OD2 ASP A 44 24.323 -4.735 -14.577 1.00 0.00 O ATOM 0 H ASP A 44 24.141 -4.579 -18.308 1.00 0.00 H new ATOM 0 HA ASP A 44 24.405 -2.201 -16.685 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.391 -4.489 -17.023 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.230 -3.409 -15.653 1.00 0.00 H new ATOM 700 N ALA A 45 26.595 -1.107 -17.588 1.00 0.00 N ATOM 701 CA ALA A 45 27.551 -0.228 -18.303 1.00 0.00 C ATOM 702 C ALA A 45 28.739 -1.032 -18.878 1.00 0.00 C ATOM 703 O ALA A 45 29.258 -0.707 -19.953 1.00 0.00 O ATOM 704 CB ALA A 45 28.042 0.890 -17.377 1.00 0.00 C ATOM 0 H ALA A 45 26.455 -0.849 -16.611 1.00 0.00 H new ATOM 0 HA ALA A 45 27.027 0.224 -19.145 1.00 0.00 H new ATOM 0 HB1 ALA A 45 28.743 1.527 -17.916 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.192 1.486 -17.044 1.00 0.00 H new ATOM 0 HB3 ALA A 45 28.540 0.453 -16.512 1.00 0.00 H new ATOM 710 N ALA A 46 29.114 -2.102 -18.153 1.00 0.00 N ATOM 711 CA ALA A 46 30.162 -3.064 -18.559 1.00 0.00 C ATOM 712 C ALA A 46 29.879 -3.675 -19.948 1.00 0.00 C ATOM 713 O ALA A 46 30.787 -3.829 -20.769 1.00 0.00 O ATOM 714 CB ALA A 46 30.260 -4.175 -17.504 1.00 0.00 C ATOM 0 H ALA A 46 28.692 -2.329 -17.253 1.00 0.00 H new ATOM 0 HA ALA A 46 31.108 -2.528 -18.630 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.031 -4.888 -17.797 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.517 -3.739 -16.539 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.302 -4.688 -17.426 1.00 0.00 H new ATOM 720 N PHE A 47 28.597 -3.999 -20.188 1.00 0.00 N ATOM 721 CA PHE A 47 28.131 -4.668 -21.421 1.00 0.00 C ATOM 722 C PHE A 47 28.305 -3.746 -22.650 1.00 0.00 C ATOM 723 O PHE A 47 28.668 -4.207 -23.734 1.00 0.00 O ATOM 724 CB PHE A 47 26.647 -5.097 -21.248 1.00 0.00 C ATOM 725 CG PHE A 47 26.117 -6.054 -22.319 1.00 0.00 C ATOM 726 CD1 PHE A 47 26.375 -7.423 -22.232 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.358 -5.592 -23.398 1.00 0.00 C ATOM 728 CE1 PHE A 47 25.897 -8.295 -23.191 1.00 0.00 C ATOM 729 CE2 PHE A 47 24.878 -6.469 -24.355 1.00 0.00 C ATOM 730 CZ PHE A 47 25.148 -7.820 -24.247 1.00 0.00 C ATOM 0 H PHE A 47 27.845 -3.803 -19.527 1.00 0.00 H new ATOM 0 HA PHE A 47 28.737 -5.557 -21.594 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.533 -5.570 -20.272 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.025 -4.202 -21.243 1.00 0.00 H new ATOM 0 HD1 PHE A 47 26.955 -7.805 -21.405 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.143 -4.537 -23.486 1.00 0.00 H new ATOM 0 HE1 PHE A 47 26.110 -9.351 -23.114 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.294 -6.098 -25.184 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.771 -8.506 -24.992 1.00 0.00 H new ATOM 740 N LEU A 48 28.061 -2.437 -22.460 1.00 0.00 N ATOM 741 CA LEU A 48 28.213 -1.435 -23.538 1.00 0.00 C ATOM 742 C LEU A 48 29.691 -1.104 -23.770 1.00 0.00 C ATOM 743 O LEU A 48 30.091 -0.795 -24.879 1.00 0.00 O ATOM 744 CB LEU A 48 27.418 -0.135 -23.241 1.00 0.00 C ATOM 745 CG LEU A 48 25.876 -0.283 -23.027 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.242 -1.296 -24.007 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.522 -0.616 -21.570 1.00 0.00 C ATOM 0 H LEU A 48 27.757 -2.045 -21.569 1.00 0.00 H new ATOM 0 HA LEU A 48 27.801 -1.879 -24.444 1.00 0.00 H new ATOM 0 HB2 LEU A 48 27.842 0.326 -22.349 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.581 0.559 -24.066 1.00 0.00 H new ATOM 0 HG LEU A 48 25.443 0.692 -23.250 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.171 -1.363 -23.818 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.410 -0.965 -25.032 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.698 -2.276 -23.863 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.441 -0.709 -21.470 1.00 0.00 H new ATOM 0 HD22 LEU A 48 25.995 -1.556 -21.287 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.879 0.181 -20.918 1.00 0.00 H new ATOM 759 N ARG A 49 30.493 -1.153 -22.703 1.00 0.00 N ATOM 760 CA ARG A 49 31.960 -0.964 -22.792 1.00 0.00 C ATOM 761 C ARG A 49 32.653 -2.253 -23.312 1.00 0.00 C ATOM 762 O ARG A 49 33.833 -2.233 -23.682 1.00 0.00 O ATOM 763 CB ARG A 49 32.504 -0.504 -21.413 1.00 0.00 C ATOM 764 CG ARG A 49 31.922 0.861 -20.960 1.00 0.00 C ATOM 765 CD ARG A 49 32.260 1.257 -19.510 1.00 0.00 C ATOM 766 NE ARG A 49 33.681 1.613 -19.326 1.00 0.00 N ATOM 767 CZ ARG A 49 34.218 2.089 -18.189 1.00 0.00 C ATOM 768 NH1 ARG A 49 33.478 2.234 -17.095 1.00 0.00 N ATOM 769 NH2 ARG A 49 35.502 2.407 -18.152 1.00 0.00 N ATOM 0 H ARG A 49 30.156 -1.323 -21.755 1.00 0.00 H new ATOM 0 HA ARG A 49 32.188 -0.183 -23.517 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.268 -1.260 -20.664 1.00 0.00 H new ATOM 0 HB3 ARG A 49 33.590 -0.432 -21.462 1.00 0.00 H new ATOM 0 HG2 ARG A 49 32.291 1.638 -21.630 1.00 0.00 H new ATOM 0 HG3 ARG A 49 30.838 0.833 -21.071 1.00 0.00 H new ATOM 0 HD2 ARG A 49 31.638 2.102 -19.216 1.00 0.00 H new ATOM 0 HD3 ARG A 49 32.009 0.430 -18.845 1.00 0.00 H new ATOM 0 HE ARG A 49 34.304 1.488 -20.124 1.00 0.00 H new ATOM 0 HH11 ARG A 49 32.490 1.983 -17.111 1.00 0.00 H new ATOM 0 HH12 ARG A 49 33.898 2.596 -16.239 1.00 0.00 H new ATOM 0 HH21 ARG A 49 36.080 2.291 -18.984 1.00 0.00 H new ATOM 0 HH22 ARG A 49 35.913 2.768 -17.291 1.00 0.00 H new ATOM 783 N HIS A 50 31.893 -3.366 -23.323 1.00 0.00 N ATOM 784 CA HIS A 50 32.294 -4.647 -23.945 1.00 0.00 C ATOM 785 C HIS A 50 32.035 -4.608 -25.472 1.00 0.00 C ATOM 786 O HIS A 50 32.912 -4.944 -26.267 1.00 0.00 O ATOM 787 CB HIS A 50 31.511 -5.812 -23.278 1.00 0.00 C ATOM 788 CG HIS A 50 31.798 -7.195 -23.813 1.00 0.00 C ATOM 789 ND1 HIS A 50 31.118 -7.973 -24.685 1.00 0.00 N flip ATOM 790 CD2 HIS A 50 32.894 -7.939 -23.427 1.00 0.00 C flip ATOM 791 CE1 HIS A 50 31.802 -9.151 -24.801 1.00 0.00 C flip ATOM 792 NE2 HIS A 50 32.866 -9.108 -24.032 1.00 0.00 N flip ATOM 0 H HIS A 50 30.968 -3.402 -22.894 1.00 0.00 H new ATOM 0 HA HIS A 50 33.361 -4.807 -23.791 1.00 0.00 H new ATOM 0 HB2 HIS A 50 31.729 -5.805 -22.210 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.444 -5.616 -23.387 1.00 0.00 H new ATOM 0 HD1 HIS A 50 30.254 -7.726 -25.167 1.00 0.00 H new ATOM 0 HD2 HIS A 50 33.657 -7.613 -22.736 1.00 0.00 H new ATOM 0 HE1 HIS A 50 31.514 -9.984 -25.425 1.00 0.00 H new ATOM 801 N TRP A 51 30.811 -4.194 -25.861 1.00 0.00 N ATOM 802 CA TRP A 51 30.374 -4.142 -27.285 1.00 0.00 C ATOM 803 C TRP A 51 30.664 -2.775 -27.937 1.00 0.00 C ATOM 804 O TRP A 51 30.319 -2.565 -29.110 1.00 0.00 O ATOM 805 CB TRP A 51 28.863 -4.479 -27.387 1.00 0.00 C ATOM 806 CG TRP A 51 28.542 -5.926 -27.118 1.00 0.00 C ATOM 807 CD1 TRP A 51 28.116 -6.484 -25.950 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.637 -6.996 -28.063 1.00 0.00 C ATOM 809 NE1 TRP A 51 27.943 -7.833 -26.113 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.261 -8.170 -27.401 1.00 0.00 C ATOM 811 CE3 TRP A 51 29.010 -7.069 -29.407 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.235 -9.404 -28.036 1.00 0.00 C ATOM 813 CZ3 TRP A 51 28.989 -8.294 -30.037 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.609 -9.449 -29.348 1.00 0.00 C ATOM 0 H TRP A 51 30.094 -3.886 -25.204 1.00 0.00 H new ATOM 0 HA TRP A 51 30.952 -4.886 -27.833 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.313 -3.857 -26.680 1.00 0.00 H new ATOM 0 HB3 TRP A 51 28.509 -4.217 -28.384 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.941 -5.943 -25.032 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.628 -8.481 -25.391 1.00 0.00 H new ATOM 0 HE3 TRP A 51 29.310 -6.181 -29.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 27.930 -10.297 -27.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.270 -8.363 -31.078 1.00 0.00 H new ATOM 0 HH2 TRP A 51 28.611 -10.397 -29.865 1.00 0.00 H new ATOM 825 N LYS A 52 31.272 -1.857 -27.157 1.00 0.00 N ATOM 826 CA LYS A 52 31.691 -0.501 -27.610 1.00 0.00 C ATOM 827 C LYS A 52 30.474 0.362 -28.019 1.00 0.00 C ATOM 828 O LYS A 52 30.584 1.311 -28.811 1.00 0.00 O ATOM 829 CB LYS A 52 32.781 -0.593 -28.724 1.00 0.00 C ATOM 830 CG LYS A 52 34.025 -1.419 -28.307 1.00 0.00 C ATOM 831 CD LYS A 52 34.765 -0.843 -27.069 1.00 0.00 C ATOM 832 CE LYS A 52 35.538 0.456 -27.378 1.00 0.00 C ATOM 833 NZ LYS A 52 36.674 0.211 -28.306 1.00 0.00 N ATOM 0 H LYS A 52 31.492 -2.034 -26.177 1.00 0.00 H new ATOM 0 HA LYS A 52 32.153 0.013 -26.767 1.00 0.00 H new ATOM 0 HB2 LYS A 52 32.341 -1.039 -29.616 1.00 0.00 H new ATOM 0 HB3 LYS A 52 33.098 0.414 -28.995 1.00 0.00 H new ATOM 0 HG2 LYS A 52 33.717 -2.442 -28.092 1.00 0.00 H new ATOM 0 HG3 LYS A 52 34.719 -1.465 -29.146 1.00 0.00 H new ATOM 0 HD2 LYS A 52 34.041 -0.649 -26.278 1.00 0.00 H new ATOM 0 HD3 LYS A 52 35.460 -1.591 -26.688 1.00 0.00 H new ATOM 0 HE2 LYS A 52 34.860 1.187 -27.818 1.00 0.00 H new ATOM 0 HE3 LYS A 52 35.913 0.886 -26.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 37.279 1.056 -28.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 37.232 -0.598 -27.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 36.307 0.003 -29.257 1.00 0.00 H new ATOM 847 N LEU A 53 29.322 0.042 -27.394 1.00 0.00 N ATOM 848 CA LEU A 53 28.071 0.818 -27.509 1.00 0.00 C ATOM 849 C LEU A 53 28.064 1.974 -26.469 1.00 0.00 C ATOM 850 O LEU A 53 27.079 2.708 -26.347 1.00 0.00 O ATOM 851 CB LEU A 53 26.848 -0.105 -27.264 1.00 0.00 C ATOM 852 CG LEU A 53 26.853 -1.476 -28.000 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.653 -2.330 -27.566 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.896 -1.317 -29.533 1.00 0.00 C ATOM 0 H LEU A 53 29.234 -0.773 -26.788 1.00 0.00 H new ATOM 0 HA LEU A 53 28.010 1.237 -28.514 1.00 0.00 H new ATOM 0 HB2 LEU A 53 26.772 -0.293 -26.193 1.00 0.00 H new ATOM 0 HB3 LEU A 53 25.948 0.436 -27.557 1.00 0.00 H new ATOM 0 HG LEU A 53 27.768 -1.993 -27.712 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.676 -3.284 -28.093 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.702 -2.507 -26.492 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.728 -1.806 -27.805 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.898 -2.301 -30.001 1.00 0.00 H new ATOM 0 HD22 LEU A 53 26.021 -0.759 -29.866 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.800 -0.778 -29.818 1.00 0.00 H new ATOM 866 N THR A 54 29.169 2.074 -25.703 1.00 0.00 N ATOM 867 CA THR A 54 29.405 3.136 -24.704 1.00 0.00 C ATOM 868 C THR A 54 29.550 4.536 -25.353 1.00 0.00 C ATOM 869 O THR A 54 29.348 5.562 -24.686 1.00 0.00 O ATOM 870 CB THR A 54 30.677 2.785 -23.857 1.00 0.00 C ATOM 871 OG1 THR A 54 30.969 3.820 -22.907 1.00 0.00 O ATOM 872 CG2 THR A 54 31.918 2.523 -24.734 1.00 0.00 C ATOM 0 H THR A 54 29.937 1.406 -25.763 1.00 0.00 H new ATOM 0 HA THR A 54 28.532 3.182 -24.053 1.00 0.00 H new ATOM 0 HB THR A 54 30.443 1.863 -23.325 1.00 0.00 H new ATOM 0 HG1 THR A 54 31.847 3.656 -22.504 1.00 0.00 H new ATOM 0 HG21 THR A 54 32.770 2.285 -24.097 1.00 0.00 H new ATOM 0 HG22 THR A 54 31.720 1.686 -25.404 1.00 0.00 H new ATOM 0 HG23 THR A 54 32.142 3.413 -25.322 1.00 0.00 H new ATOM 880 N GLY A 55 29.884 4.562 -26.660 1.00 0.00 N ATOM 881 CA GLY A 55 30.028 5.816 -27.416 1.00 0.00 C ATOM 882 C GLY A 55 28.689 6.463 -27.778 1.00 0.00 C ATOM 883 O GLY A 55 27.628 6.032 -27.294 1.00 0.00 O ATOM 0 H GLY A 55 30.059 3.723 -27.213 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.617 6.521 -26.829 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.587 5.618 -28.331 1.00 0.00 H new ATOM 887 N THR A 56 28.733 7.511 -28.624 1.00 0.00 N ATOM 888 CA THR A 56 27.517 8.182 -29.122 1.00 0.00 C ATOM 889 C THR A 56 26.837 7.292 -30.185 1.00 0.00 C ATOM 890 O THR A 56 27.511 6.769 -31.085 1.00 0.00 O ATOM 891 CB THR A 56 27.825 9.615 -29.692 1.00 0.00 C ATOM 892 OG1 THR A 56 26.607 10.254 -30.116 1.00 0.00 O ATOM 893 CG2 THR A 56 28.826 9.606 -30.864 1.00 0.00 C ATOM 0 H THR A 56 29.602 7.912 -28.978 1.00 0.00 H new ATOM 0 HA THR A 56 26.835 8.323 -28.283 1.00 0.00 H new ATOM 0 HB THR A 56 28.287 10.172 -28.877 1.00 0.00 H new ATOM 0 HG1 THR A 56 26.811 11.146 -30.467 1.00 0.00 H new ATOM 0 HG21 THR A 56 28.993 10.627 -31.208 1.00 0.00 H new ATOM 0 HG22 THR A 56 29.771 9.176 -30.532 1.00 0.00 H new ATOM 0 HG23 THR A 56 28.423 9.009 -31.682 1.00 0.00 H new ATOM 901 N ASN A 57 25.500 7.133 -30.059 1.00 0.00 N ATOM 902 CA ASN A 57 24.703 6.160 -30.840 1.00 0.00 C ATOM 903 C ASN A 57 24.855 6.384 -32.355 1.00 0.00 C ATOM 904 O ASN A 57 24.892 5.422 -33.113 1.00 0.00 O ATOM 905 CB ASN A 57 23.216 6.213 -30.388 1.00 0.00 C ATOM 906 CG ASN A 57 22.341 5.061 -30.915 1.00 0.00 C ATOM 907 OD1 ASN A 57 22.473 4.599 -32.044 1.00 0.00 O ATOM 908 ND2 ASN A 57 21.437 4.568 -30.085 1.00 0.00 N ATOM 0 H ASN A 57 24.939 7.681 -29.407 1.00 0.00 H new ATOM 0 HA ASN A 57 25.085 5.159 -30.641 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.181 6.208 -29.299 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.784 7.158 -30.716 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.840 3.795 -30.381 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.336 4.960 -29.149 1.00 0.00 H new ATOM 915 N LYS A 58 25.004 7.652 -32.762 1.00 0.00 N ATOM 916 CA LYS A 58 25.212 8.047 -34.176 1.00 0.00 C ATOM 917 C LYS A 58 26.428 7.294 -34.767 1.00 0.00 C ATOM 918 O LYS A 58 26.313 6.575 -35.781 1.00 0.00 O ATOM 919 CB LYS A 58 25.392 9.595 -34.227 1.00 0.00 C ATOM 920 CG LYS A 58 25.404 10.282 -35.627 1.00 0.00 C ATOM 921 CD LYS A 58 26.745 10.134 -36.399 1.00 0.00 C ATOM 922 CE LYS A 58 26.817 11.039 -37.639 1.00 0.00 C ATOM 923 NZ LYS A 58 26.783 12.483 -37.280 1.00 0.00 N ATOM 0 H LYS A 58 24.985 8.444 -32.120 1.00 0.00 H new ATOM 0 HA LYS A 58 24.351 7.776 -34.786 1.00 0.00 H new ATOM 0 HB2 LYS A 58 24.591 10.044 -33.641 1.00 0.00 H new ATOM 0 HB3 LYS A 58 26.329 9.840 -33.726 1.00 0.00 H new ATOM 0 HG2 LYS A 58 24.601 9.861 -36.232 1.00 0.00 H new ATOM 0 HG3 LYS A 58 25.186 11.342 -35.501 1.00 0.00 H new ATOM 0 HD2 LYS A 58 27.573 10.373 -35.731 1.00 0.00 H new ATOM 0 HD3 LYS A 58 26.871 9.095 -36.704 1.00 0.00 H new ATOM 0 HE2 LYS A 58 27.732 10.825 -38.191 1.00 0.00 H new ATOM 0 HE3 LYS A 58 25.983 10.811 -38.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 27.085 13.051 -38.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 25.815 12.751 -37.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 27.425 12.657 -36.481 1.00 0.00 H new ATOM 937 N SER A 59 27.574 7.427 -34.084 1.00 0.00 N ATOM 938 CA SER A 59 28.838 6.815 -34.513 1.00 0.00 C ATOM 939 C SER A 59 28.798 5.278 -34.403 1.00 0.00 C ATOM 940 O SER A 59 29.500 4.599 -35.138 1.00 0.00 O ATOM 941 CB SER A 59 30.005 7.392 -33.690 1.00 0.00 C ATOM 942 OG SER A 59 30.100 8.799 -33.868 1.00 0.00 O ATOM 0 H SER A 59 27.650 7.962 -33.219 1.00 0.00 H new ATOM 0 HA SER A 59 28.989 7.056 -35.565 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.860 7.163 -32.634 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.939 6.919 -33.993 1.00 0.00 H new ATOM 0 HG SER A 59 30.846 9.146 -33.336 1.00 0.00 H new ATOM 948 N ILE A 60 27.954 4.743 -33.502 1.00 0.00 N ATOM 949 CA ILE A 60 27.800 3.286 -33.336 1.00 0.00 C ATOM 950 C ILE A 60 27.018 2.698 -34.531 1.00 0.00 C ATOM 951 O ILE A 60 27.549 1.890 -35.266 1.00 0.00 O ATOM 952 CB ILE A 60 27.079 2.928 -31.995 1.00 0.00 C ATOM 953 CG1 ILE A 60 27.809 3.582 -30.780 1.00 0.00 C ATOM 954 CG2 ILE A 60 26.991 1.392 -31.814 1.00 0.00 C ATOM 955 CD1 ILE A 60 27.020 3.555 -29.488 1.00 0.00 C ATOM 0 H ILE A 60 27.368 5.298 -32.878 1.00 0.00 H new ATOM 0 HA ILE A 60 28.798 2.848 -33.303 1.00 0.00 H new ATOM 0 HB ILE A 60 26.066 3.327 -32.039 1.00 0.00 H new ATOM 0 HG12 ILE A 60 28.758 3.069 -30.623 1.00 0.00 H new ATOM 0 HG13 ILE A 60 28.043 4.617 -31.027 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.486 1.165 -30.875 1.00 0.00 H new ATOM 0 HG22 ILE A 60 26.429 0.960 -32.642 1.00 0.00 H new ATOM 0 HG23 ILE A 60 27.996 0.969 -31.797 1.00 0.00 H new ATOM 0 HD11 ILE A 60 27.601 4.029 -28.697 1.00 0.00 H new ATOM 0 HD12 ILE A 60 26.082 4.094 -29.623 1.00 0.00 H new ATOM 0 HD13 ILE A 60 26.808 2.522 -29.213 1.00 0.00 H new ATOM 967 N ARG A 61 25.766 3.148 -34.733 1.00 0.00 N ATOM 968 CA ARG A 61 24.884 2.651 -35.828 1.00 0.00 C ATOM 969 C ARG A 61 25.464 2.951 -37.229 1.00 0.00 C ATOM 970 O ARG A 61 25.002 2.384 -38.225 1.00 0.00 O ATOM 971 CB ARG A 61 23.451 3.245 -35.702 1.00 0.00 C ATOM 972 CG ARG A 61 23.381 4.779 -35.825 1.00 0.00 C ATOM 973 CD ARG A 61 21.954 5.345 -35.686 1.00 0.00 C ATOM 974 NE ARG A 61 21.072 4.939 -36.801 1.00 0.00 N ATOM 975 CZ ARG A 61 20.846 5.653 -37.926 1.00 0.00 C ATOM 976 NH1 ARG A 61 21.520 6.772 -38.185 1.00 0.00 N ATOM 977 NH2 ARG A 61 19.964 5.217 -38.809 1.00 0.00 N ATOM 0 H ARG A 61 25.330 3.863 -34.150 1.00 0.00 H new ATOM 0 HA ARG A 61 24.829 1.568 -35.719 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.819 2.802 -36.472 1.00 0.00 H new ATOM 0 HB3 ARG A 61 23.033 2.951 -34.739 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.016 5.226 -35.060 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.788 5.077 -36.791 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.523 5.006 -34.744 1.00 0.00 H new ATOM 0 HD3 ARG A 61 22.001 6.433 -35.642 1.00 0.00 H new ATOM 0 HE ARG A 61 20.593 4.043 -36.714 1.00 0.00 H new ATOM 0 HH11 ARG A 61 22.224 7.107 -37.528 1.00 0.00 H new ATOM 0 HH12 ARG A 61 21.332 7.294 -39.041 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.459 4.347 -38.639 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.788 5.751 -39.660 1.00 0.00 H new ATOM 991 N LYS A 62 26.449 3.876 -37.308 1.00 0.00 N ATOM 992 CA LYS A 62 27.177 4.147 -38.562 1.00 0.00 C ATOM 993 C LYS A 62 28.392 3.198 -38.732 1.00 0.00 C ATOM 994 O LYS A 62 28.526 2.544 -39.769 1.00 0.00 O ATOM 995 CB LYS A 62 27.622 5.633 -38.614 1.00 0.00 C ATOM 996 CG LYS A 62 28.315 6.048 -39.935 1.00 0.00 C ATOM 997 CD LYS A 62 28.796 7.523 -39.940 1.00 0.00 C ATOM 998 CE LYS A 62 29.804 7.831 -38.818 1.00 0.00 C ATOM 999 NZ LYS A 62 30.380 9.188 -38.937 1.00 0.00 N ATOM 0 H LYS A 62 26.755 4.444 -36.518 1.00 0.00 H new ATOM 0 HA LYS A 62 26.499 3.957 -39.394 1.00 0.00 H new ATOM 0 HB2 LYS A 62 26.748 6.267 -38.462 1.00 0.00 H new ATOM 0 HB3 LYS A 62 28.303 5.825 -37.785 1.00 0.00 H new ATOM 0 HG2 LYS A 62 29.169 5.394 -40.110 1.00 0.00 H new ATOM 0 HG3 LYS A 62 27.623 5.896 -40.763 1.00 0.00 H new ATOM 0 HD2 LYS A 62 29.254 7.747 -40.904 1.00 0.00 H new ATOM 0 HD3 LYS A 62 27.933 8.181 -39.836 1.00 0.00 H new ATOM 0 HE2 LYS A 62 29.310 7.732 -37.852 1.00 0.00 H new ATOM 0 HE3 LYS A 62 30.607 7.095 -38.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 31.052 9.349 -38.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 30.875 9.276 -39.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 29.618 9.894 -38.887 1.00 0.00 H new ATOM 1013 N ASN A 63 29.265 3.128 -37.705 1.00 0.00 N ATOM 1014 CA ASN A 63 30.549 2.372 -37.778 1.00 0.00 C ATOM 1015 C ASN A 63 30.308 0.863 -37.615 1.00 0.00 C ATOM 1016 O ASN A 63 30.820 0.051 -38.399 1.00 0.00 O ATOM 1017 CB ASN A 63 31.555 2.876 -36.702 1.00 0.00 C ATOM 1018 CG ASN A 63 32.126 4.287 -36.936 1.00 0.00 C ATOM 1019 OD1 ASN A 63 31.359 5.188 -37.539 1.00 0.00 O flip ATOM 1020 ND2 ASN A 63 33.259 4.574 -36.541 1.00 0.00 N flip ATOM 0 H ASN A 63 29.109 3.586 -36.807 1.00 0.00 H new ATOM 0 HA ASN A 63 30.981 2.548 -38.763 1.00 0.00 H new ATOM 0 HB2 ASN A 63 31.060 2.860 -35.731 1.00 0.00 H new ATOM 0 HB3 ASN A 63 32.385 2.172 -36.648 1.00 0.00 H new ATOM 0 HD21 ASN A 63 33.833 3.868 -36.080 1.00 0.00 H new ATOM 0 HD22 ASN A 63 33.622 5.518 -36.675 1.00 0.00 H new ATOM 1027 N ARG A 64 29.542 0.501 -36.577 1.00 0.00 N ATOM 1028 CA ARG A 64 29.075 -0.885 -36.357 1.00 0.00 C ATOM 1029 C ARG A 64 27.984 -1.214 -37.383 1.00 0.00 C ATOM 1030 O ARG A 64 27.163 -0.355 -37.721 1.00 0.00 O ATOM 1031 CB ARG A 64 28.504 -1.117 -34.912 1.00 0.00 C ATOM 1032 CG ARG A 64 29.524 -1.435 -33.786 1.00 0.00 C ATOM 1033 CD ARG A 64 30.500 -0.289 -33.454 1.00 0.00 C ATOM 1034 NE ARG A 64 31.641 -0.202 -34.392 1.00 0.00 N ATOM 1035 CZ ARG A 64 32.692 0.621 -34.251 1.00 0.00 C ATOM 1036 NH1 ARG A 64 32.738 1.503 -33.258 1.00 0.00 N ATOM 1037 NH2 ARG A 64 33.675 0.579 -35.130 1.00 0.00 N ATOM 0 H ARG A 64 29.226 1.157 -35.863 1.00 0.00 H new ATOM 0 HA ARG A 64 29.939 -1.539 -36.473 1.00 0.00 H new ATOM 0 HB2 ARG A 64 27.948 -0.225 -34.622 1.00 0.00 H new ATOM 0 HB3 ARG A 64 27.788 -1.937 -34.960 1.00 0.00 H new ATOM 0 HG2 ARG A 64 28.975 -1.699 -32.882 1.00 0.00 H new ATOM 0 HG3 ARG A 64 30.102 -2.313 -34.076 1.00 0.00 H new ATOM 0 HD2 ARG A 64 29.957 0.656 -33.465 1.00 0.00 H new ATOM 0 HD3 ARG A 64 30.880 -0.427 -32.442 1.00 0.00 H new ATOM 0 HE ARG A 64 31.628 -0.814 -35.208 1.00 0.00 H new ATOM 0 HH11 ARG A 64 31.968 1.561 -32.591 1.00 0.00 H new ATOM 0 HH12 ARG A 64 33.543 2.122 -33.163 1.00 0.00 H new ATOM 0 HH21 ARG A 64 33.633 -0.076 -35.911 1.00 0.00 H new ATOM 0 HH22 ARG A 64 34.477 1.202 -35.029 1.00 0.00 H new ATOM 1051 N ASN A 65 27.985 -2.460 -37.861 1.00 0.00 N ATOM 1052 CA ASN A 65 26.919 -2.991 -38.734 1.00 0.00 C ATOM 1053 C ASN A 65 25.869 -3.723 -37.873 1.00 0.00 C ATOM 1054 O ASN A 65 26.001 -3.779 -36.636 1.00 0.00 O ATOM 1055 CB ASN A 65 27.521 -3.919 -39.827 1.00 0.00 C ATOM 1056 CG ASN A 65 28.393 -3.168 -40.840 1.00 0.00 C ATOM 1057 OD1 ASN A 65 29.599 -3.014 -40.657 1.00 0.00 O ATOM 1058 ND2 ASN A 65 27.784 -2.687 -41.919 1.00 0.00 N ATOM 0 H ASN A 65 28.722 -3.135 -37.658 1.00 0.00 H new ATOM 0 HA ASN A 65 26.424 -2.168 -39.250 1.00 0.00 H new ATOM 0 HB2 ASN A 65 28.118 -4.695 -39.348 1.00 0.00 H new ATOM 0 HB3 ASN A 65 26.711 -4.421 -40.356 1.00 0.00 H new ATOM 0 HD21 ASN A 65 28.319 -2.175 -42.621 1.00 0.00 H new ATOM 0 HD22 ASN A 65 26.782 -2.830 -42.045 1.00 0.00 H new ATOM 1065 N CYS A 66 24.840 -4.291 -38.534 1.00 0.00 N ATOM 1066 CA CYS A 66 23.732 -4.984 -37.850 1.00 0.00 C ATOM 1067 C CYS A 66 24.233 -6.165 -37.005 1.00 0.00 C ATOM 1068 O CYS A 66 23.763 -6.348 -35.895 1.00 0.00 O ATOM 1069 CB CYS A 66 22.673 -5.464 -38.863 1.00 0.00 C ATOM 1070 SG CYS A 66 21.789 -4.125 -39.671 1.00 0.00 S ATOM 0 H CYS A 66 24.755 -4.282 -39.550 1.00 0.00 H new ATOM 0 HA CYS A 66 23.270 -4.263 -37.176 1.00 0.00 H new ATOM 0 HB2 CYS A 66 23.160 -6.076 -39.622 1.00 0.00 H new ATOM 0 HB3 CYS A 66 21.955 -6.104 -38.350 1.00 0.00 H new ATOM 0 HG CYS A 66 20.923 -4.618 -40.505 1.00 0.00 H new ATOM 1076 N SER A 67 25.220 -6.921 -37.533 1.00 0.00 N ATOM 1077 CA SER A 67 25.732 -8.167 -36.905 1.00 0.00 C ATOM 1078 C SER A 67 26.183 -7.970 -35.433 1.00 0.00 C ATOM 1079 O SER A 67 25.934 -8.836 -34.592 1.00 0.00 O ATOM 1080 CB SER A 67 26.883 -8.753 -37.750 1.00 0.00 C ATOM 1081 OG SER A 67 26.448 -9.060 -39.061 1.00 0.00 O ATOM 0 H SER A 67 25.688 -6.687 -38.409 1.00 0.00 H new ATOM 0 HA SER A 67 24.900 -8.871 -36.879 1.00 0.00 H new ATOM 0 HB2 SER A 67 27.706 -8.039 -37.794 1.00 0.00 H new ATOM 0 HB3 SER A 67 27.268 -9.653 -37.271 1.00 0.00 H new ATOM 0 HG SER A 67 27.196 -9.428 -39.576 1.00 0.00 H new ATOM 1087 N GLN A 68 26.824 -6.822 -35.134 1.00 0.00 N ATOM 1088 CA GLN A 68 27.240 -6.469 -33.750 1.00 0.00 C ATOM 1089 C GLN A 68 26.027 -6.268 -32.833 1.00 0.00 C ATOM 1090 O GLN A 68 26.034 -6.697 -31.683 1.00 0.00 O ATOM 1091 CB GLN A 68 28.100 -5.177 -33.740 1.00 0.00 C ATOM 1092 CG GLN A 68 29.492 -5.332 -34.367 1.00 0.00 C ATOM 1093 CD GLN A 68 30.401 -6.349 -33.657 1.00 0.00 C ATOM 1094 OE1 GLN A 68 30.290 -6.465 -32.338 1.00 0.00 O flip ATOM 1095 NE2 GLN A 68 31.229 -7.001 -34.292 1.00 0.00 N flip ATOM 0 H GLN A 68 27.068 -6.118 -35.831 1.00 0.00 H new ATOM 0 HA GLN A 68 27.833 -7.303 -33.375 1.00 0.00 H new ATOM 0 HB2 GLN A 68 27.561 -4.393 -34.273 1.00 0.00 H new ATOM 0 HB3 GLN A 68 28.215 -4.841 -32.710 1.00 0.00 H new ATOM 0 HG2 GLN A 68 29.376 -5.632 -35.408 1.00 0.00 H new ATOM 0 HG3 GLN A 68 29.986 -4.361 -34.368 1.00 0.00 H new ATOM 0 HE21 GLN A 68 31.295 -6.894 -35.304 1.00 0.00 H new ATOM 0 HE22 GLN A 68 31.850 -7.648 -33.806 1.00 0.00 H new ATOM 1104 N LEU A 69 25.002 -5.611 -33.381 1.00 0.00 N ATOM 1105 CA LEU A 69 23.794 -5.213 -32.638 1.00 0.00 C ATOM 1106 C LEU A 69 22.885 -6.434 -32.367 1.00 0.00 C ATOM 1107 O LEU A 69 22.271 -6.537 -31.295 1.00 0.00 O ATOM 1108 CB LEU A 69 23.048 -4.107 -33.435 1.00 0.00 C ATOM 1109 CG LEU A 69 23.923 -2.888 -33.888 1.00 0.00 C ATOM 1110 CD1 LEU A 69 23.080 -1.830 -34.631 1.00 0.00 C ATOM 1111 CD2 LEU A 69 24.691 -2.265 -32.697 1.00 0.00 C ATOM 0 H LEU A 69 24.983 -5.335 -34.363 1.00 0.00 H new ATOM 0 HA LEU A 69 24.080 -4.811 -31.666 1.00 0.00 H new ATOM 0 HB2 LEU A 69 22.603 -4.561 -34.321 1.00 0.00 H new ATOM 0 HB3 LEU A 69 22.228 -3.734 -32.822 1.00 0.00 H new ATOM 0 HG LEU A 69 24.665 -3.266 -34.591 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.720 -1.000 -34.930 1.00 0.00 H new ATOM 0 HD12 LEU A 69 22.631 -2.279 -35.517 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.293 -1.463 -33.972 1.00 0.00 H new ATOM 0 HD21 LEU A 69 25.287 -1.423 -33.049 1.00 0.00 H new ATOM 0 HD22 LEU A 69 23.980 -1.918 -31.947 1.00 0.00 H new ATOM 0 HD23 LEU A 69 25.348 -3.015 -32.255 1.00 0.00 H new ATOM 1123 N ILE A 70 22.838 -7.364 -33.346 1.00 0.00 N ATOM 1124 CA ILE A 70 22.108 -8.643 -33.212 1.00 0.00 C ATOM 1125 C ILE A 70 22.776 -9.467 -32.113 1.00 0.00 C ATOM 1126 O ILE A 70 22.135 -9.877 -31.155 1.00 0.00 O ATOM 1127 CB ILE A 70 22.127 -9.507 -34.535 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.651 -8.683 -35.766 1.00 0.00 C ATOM 1129 CG2 ILE A 70 21.266 -10.792 -34.369 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.920 -9.335 -37.117 1.00 0.00 C ATOM 0 H ILE A 70 23.303 -7.250 -34.247 1.00 0.00 H new ATOM 0 HA ILE A 70 21.071 -8.400 -32.983 1.00 0.00 H new ATOM 0 HB ILE A 70 23.160 -9.804 -34.716 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.580 -8.503 -35.672 1.00 0.00 H new ATOM 0 HG13 ILE A 70 22.141 -7.709 -35.745 1.00 0.00 H new ATOM 0 HG21 ILE A 70 21.294 -11.371 -35.292 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.664 -11.393 -33.552 1.00 0.00 H new ATOM 0 HG23 ILE A 70 20.236 -10.514 -34.147 1.00 0.00 H new ATOM 0 HD11 ILE A 70 21.554 -8.687 -37.913 1.00 0.00 H new ATOM 0 HD12 ILE A 70 22.992 -9.490 -37.239 1.00 0.00 H new ATOM 0 HD13 ILE A 70 21.407 -10.295 -37.166 1.00 0.00 H new ATOM 1142 N ALA A 71 24.100 -9.652 -32.280 1.00 0.00 N ATOM 1143 CA ALA A 71 24.938 -10.468 -31.392 1.00 0.00 C ATOM 1144 C ALA A 71 24.924 -9.927 -29.957 1.00 0.00 C ATOM 1145 O ALA A 71 24.940 -10.693 -29.010 1.00 0.00 O ATOM 1146 CB ALA A 71 26.369 -10.538 -31.940 1.00 0.00 C ATOM 0 H ALA A 71 24.621 -9.230 -33.049 1.00 0.00 H new ATOM 0 HA ALA A 71 24.525 -11.476 -31.361 1.00 0.00 H new ATOM 0 HB1 ALA A 71 26.984 -11.145 -31.275 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.357 -10.986 -32.933 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.785 -9.532 -32.001 1.00 0.00 H new ATOM 1152 N ALA A 72 24.873 -8.597 -29.820 1.00 0.00 N ATOM 1153 CA ALA A 72 24.757 -7.928 -28.515 1.00 0.00 C ATOM 1154 C ALA A 72 23.397 -8.227 -27.852 1.00 0.00 C ATOM 1155 O ALA A 72 23.347 -8.558 -26.665 1.00 0.00 O ATOM 1156 CB ALA A 72 24.984 -6.421 -28.667 1.00 0.00 C ATOM 0 H ALA A 72 24.911 -7.952 -30.610 1.00 0.00 H new ATOM 0 HA ALA A 72 25.531 -8.324 -27.857 1.00 0.00 H new ATOM 0 HB1 ALA A 72 24.895 -5.940 -27.693 1.00 0.00 H new ATOM 0 HB2 ALA A 72 25.981 -6.242 -29.071 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.238 -6.007 -29.346 1.00 0.00 H new ATOM 1162 N TYR A 73 22.298 -8.143 -28.637 1.00 0.00 N ATOM 1163 CA TYR A 73 20.934 -8.438 -28.128 1.00 0.00 C ATOM 1164 C TYR A 73 20.821 -9.924 -27.716 1.00 0.00 C ATOM 1165 O TYR A 73 20.176 -10.252 -26.710 1.00 0.00 O ATOM 1166 CB TYR A 73 19.845 -8.094 -29.182 1.00 0.00 C ATOM 1167 CG TYR A 73 18.417 -8.074 -28.602 1.00 0.00 C ATOM 1168 CD1 TYR A 73 17.943 -6.941 -27.943 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.558 -9.182 -28.679 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.682 -6.906 -27.386 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.285 -9.142 -28.125 1.00 0.00 C ATOM 1172 CZ TYR A 73 15.857 -7.999 -27.478 1.00 0.00 C ATOM 1173 OH TYR A 73 14.596 -7.945 -26.917 1.00 0.00 O ATOM 0 H TYR A 73 22.326 -7.875 -29.621 1.00 0.00 H new ATOM 0 HA TYR A 73 20.766 -7.810 -27.253 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.066 -7.119 -29.617 1.00 0.00 H new ATOM 0 HB3 TYR A 73 19.890 -8.822 -29.992 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.578 -6.071 -27.867 1.00 0.00 H new ATOM 0 HD2 TYR A 73 17.893 -10.080 -29.177 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.343 -6.016 -26.876 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.633 -10.000 -28.200 1.00 0.00 H new ATOM 0 HH TYR A 73 14.083 -8.735 -27.188 1.00 0.00 H new ATOM 1183 N LYS A 74 21.476 -10.800 -28.502 1.00 0.00 N ATOM 1184 CA LYS A 74 21.532 -12.250 -28.244 1.00 0.00 C ATOM 1185 C LYS A 74 22.249 -12.503 -26.915 1.00 0.00 C ATOM 1186 O LYS A 74 21.639 -13.001 -25.980 1.00 0.00 O ATOM 1187 CB LYS A 74 22.257 -12.989 -29.407 1.00 0.00 C ATOM 1188 CG LYS A 74 21.500 -12.969 -30.745 1.00 0.00 C ATOM 1189 CD LYS A 74 22.336 -13.448 -31.966 1.00 0.00 C ATOM 1190 CE LYS A 74 22.711 -14.948 -31.956 1.00 0.00 C ATOM 1191 NZ LYS A 74 23.800 -15.277 -31.008 1.00 0.00 N ATOM 0 H LYS A 74 21.985 -10.518 -29.340 1.00 0.00 H new ATOM 0 HA LYS A 74 20.516 -12.640 -28.183 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.238 -12.537 -29.552 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.424 -14.025 -29.114 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.615 -13.599 -30.657 1.00 0.00 H new ATOM 0 HG3 LYS A 74 21.151 -11.954 -30.935 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.775 -13.236 -32.876 1.00 0.00 H new ATOM 0 HD3 LYS A 74 23.253 -12.860 -32.012 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.828 -15.534 -31.700 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.012 -15.246 -32.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.440 -15.972 -31.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 24.332 -14.414 -30.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 23.394 -15.676 -30.138 1.00 0.00 H new ATOM 1205 N ASP A 75 23.514 -12.043 -26.824 1.00 0.00 N ATOM 1206 CA ASP A 75 24.376 -12.210 -25.629 1.00 0.00 C ATOM 1207 C ASP A 75 23.699 -11.681 -24.360 1.00 0.00 C ATOM 1208 O ASP A 75 23.889 -12.238 -23.301 1.00 0.00 O ATOM 1209 CB ASP A 75 25.767 -11.525 -25.818 1.00 0.00 C ATOM 1210 CG ASP A 75 26.781 -12.415 -26.564 1.00 0.00 C ATOM 1211 OD1 ASP A 75 26.778 -12.447 -27.809 1.00 0.00 O ATOM 1212 OD2 ASP A 75 27.581 -13.107 -25.895 1.00 0.00 O ATOM 0 H ASP A 75 23.973 -11.540 -27.584 1.00 0.00 H new ATOM 0 HA ASP A 75 24.534 -13.282 -25.511 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.635 -10.594 -26.369 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.172 -11.263 -24.841 1.00 0.00 H new ATOM 1217 N PHE A 76 22.902 -10.621 -24.493 1.00 0.00 N ATOM 1218 CA PHE A 76 22.120 -10.041 -23.377 1.00 0.00 C ATOM 1219 C PHE A 76 21.018 -11.031 -22.911 1.00 0.00 C ATOM 1220 O PHE A 76 20.934 -11.392 -21.711 1.00 0.00 O ATOM 1221 CB PHE A 76 21.528 -8.681 -23.844 1.00 0.00 C ATOM 1222 CG PHE A 76 20.819 -7.855 -22.772 1.00 0.00 C ATOM 1223 CD1 PHE A 76 21.318 -7.782 -21.469 1.00 0.00 C ATOM 1224 CD2 PHE A 76 19.656 -7.140 -23.073 1.00 0.00 C ATOM 1225 CE1 PHE A 76 20.679 -7.021 -20.508 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.021 -6.378 -22.110 1.00 0.00 C ATOM 1227 CZ PHE A 76 19.531 -6.324 -20.827 1.00 0.00 C ATOM 0 H PHE A 76 22.773 -10.131 -25.378 1.00 0.00 H new ATOM 0 HA PHE A 76 22.763 -9.864 -22.515 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.336 -8.080 -24.262 1.00 0.00 H new ATOM 0 HB3 PHE A 76 20.822 -8.873 -24.652 1.00 0.00 H new ATOM 0 HD1 PHE A 76 22.214 -8.327 -21.209 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.248 -7.184 -24.072 1.00 0.00 H new ATOM 0 HE1 PHE A 76 21.079 -6.972 -19.506 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.127 -5.826 -22.360 1.00 0.00 H new ATOM 0 HZ PHE A 76 19.031 -5.735 -20.072 1.00 0.00 H new ATOM 1237 N CYS A 77 20.219 -11.502 -23.887 1.00 0.00 N ATOM 1238 CA CYS A 77 19.119 -12.461 -23.649 1.00 0.00 C ATOM 1239 C CYS A 77 19.636 -13.820 -23.120 1.00 0.00 C ATOM 1240 O CYS A 77 18.910 -14.535 -22.421 1.00 0.00 O ATOM 1241 CB CYS A 77 18.291 -12.650 -24.935 1.00 0.00 C ATOM 1242 SG CYS A 77 17.481 -11.138 -25.496 1.00 0.00 S ATOM 0 H CYS A 77 20.317 -11.229 -24.865 1.00 0.00 H new ATOM 0 HA CYS A 77 18.477 -12.043 -22.874 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.943 -13.019 -25.727 1.00 0.00 H new ATOM 0 HB3 CYS A 77 17.535 -13.416 -24.762 1.00 0.00 H new ATOM 0 HG CYS A 77 18.336 -10.401 -26.141 1.00 0.00 H new ATOM 1248 N GLU A 78 20.891 -14.152 -23.446 1.00 0.00 N ATOM 1249 CA GLU A 78 21.545 -15.405 -23.016 1.00 0.00 C ATOM 1250 C GLU A 78 22.288 -15.209 -21.676 1.00 0.00 C ATOM 1251 O GLU A 78 22.433 -16.156 -20.897 1.00 0.00 O ATOM 1252 CB GLU A 78 22.520 -15.881 -24.127 1.00 0.00 C ATOM 1253 CG GLU A 78 21.883 -16.003 -25.530 1.00 0.00 C ATOM 1254 CD GLU A 78 20.760 -17.045 -25.634 1.00 0.00 C ATOM 1255 OE1 GLU A 78 19.577 -16.703 -25.395 1.00 0.00 O ATOM 1256 OE2 GLU A 78 21.051 -18.219 -25.964 1.00 0.00 O ATOM 0 H GLU A 78 21.490 -13.558 -24.020 1.00 0.00 H new ATOM 0 HA GLU A 78 20.784 -16.169 -22.857 1.00 0.00 H new ATOM 0 HB2 GLU A 78 23.357 -15.185 -24.181 1.00 0.00 H new ATOM 0 HB3 GLU A 78 22.930 -16.850 -23.842 1.00 0.00 H new ATOM 0 HG2 GLU A 78 21.486 -15.030 -25.820 1.00 0.00 H new ATOM 0 HG3 GLU A 78 22.663 -16.256 -26.248 1.00 0.00 H new ATOM 1263 N HIS A 79 22.735 -13.962 -21.410 1.00 0.00 N ATOM 1264 CA HIS A 79 23.476 -13.610 -20.169 1.00 0.00 C ATOM 1265 C HIS A 79 22.510 -13.456 -18.979 1.00 0.00 C ATOM 1266 O HIS A 79 22.947 -13.486 -17.818 1.00 0.00 O ATOM 1267 CB HIS A 79 24.309 -12.306 -20.366 1.00 0.00 C ATOM 1268 CG HIS A 79 25.393 -12.070 -19.340 1.00 0.00 C ATOM 1269 ND1 HIS A 79 26.677 -12.555 -19.480 1.00 0.00 N ATOM 1270 CD2 HIS A 79 25.376 -11.414 -18.156 1.00 0.00 C ATOM 1271 CE1 HIS A 79 27.398 -12.211 -18.432 1.00 0.00 C ATOM 1272 NE2 HIS A 79 26.632 -11.518 -17.616 1.00 0.00 N ATOM 0 H HIS A 79 22.596 -13.173 -22.042 1.00 0.00 H new ATOM 0 HA HIS A 79 24.165 -14.425 -19.950 1.00 0.00 H new ATOM 0 HB2 HIS A 79 24.767 -12.333 -21.355 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.628 -11.455 -20.354 1.00 0.00 H new ATOM 0 HD2 HIS A 79 24.531 -10.904 -17.718 1.00 0.00 H new ATOM 0 HE1 HIS A 79 28.438 -12.455 -18.270 1.00 0.00 H new ATOM 0 HE2 HIS A 79 26.926 -11.121 -16.724 1.00 0.00 H new ATOM 1281 N GLY A 80 21.195 -13.315 -19.258 1.00 0.00 N ATOM 1282 CA GLY A 80 20.207 -13.196 -18.173 1.00 0.00 C ATOM 1283 C GLY A 80 19.669 -11.784 -18.014 1.00 0.00 C ATOM 1284 O GLY A 80 19.733 -11.208 -16.921 1.00 0.00 O ATOM 0 H GLY A 80 20.805 -13.282 -20.200 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.377 -13.875 -18.368 1.00 0.00 H new ATOM 0 HA3 GLY A 80 20.665 -13.513 -17.236 1.00 0.00 H new