USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=19 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= -0.184 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 37 THR OG1 : rot 67:sc= 1.16 USER MOD Set 2.2: A 40 GLN :FLIP amide:sc= -0.931 F(o=-1.7!,f=0.39) USER MOD Set 2.3: A 57 ASN : amide:sc= 0.162 K(o=0.39,f=-6!) USER MOD Single : A 13 MET CE :methyl 180:sc= -0.121 (180deg=-0.121) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0.00792 X(o=0.0079,f=-0.13) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -64:sc= 1.47 USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= 0.892 (180deg=0.215) USER MOD Single : A 33 ASN : amide:sc= -0.143 K(o=-0.14,f=-5.4!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00636) USER MOD Single : A 42 ASN : amide:sc= 0.596 K(o=0.6,f=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -25:sc= 0.304 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0147) USER MOD Single : A 63 ASN : amide:sc= 0.615 K(o=0.61,f=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 73 TYR OH : rot 162:sc= 0.648 USER MOD Single : A 74 LYS NZ :NH3+ -141:sc= -0.111 (180deg=-1.64!) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 194 N MET A 13 9.744 -2.081 -22.115 1.00 0.00 N ATOM 195 CA MET A 13 9.764 -1.646 -23.517 1.00 0.00 C ATOM 196 C MET A 13 10.971 -2.274 -24.223 1.00 0.00 C ATOM 197 O MET A 13 12.028 -2.463 -23.606 1.00 0.00 O ATOM 198 CB MET A 13 9.794 -0.080 -23.627 1.00 0.00 C ATOM 199 CG MET A 13 11.188 0.588 -23.552 1.00 0.00 C ATOM 200 SD MET A 13 12.111 0.438 -25.109 1.00 0.00 S ATOM 201 CE MET A 13 13.758 0.975 -24.660 1.00 0.00 C ATOM 0 HA MET A 13 8.850 -1.982 -24.006 1.00 0.00 H new ATOM 0 HB2 MET A 13 9.329 0.205 -24.571 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.175 0.331 -22.829 1.00 0.00 H new ATOM 0 HG2 MET A 13 11.070 1.643 -23.303 1.00 0.00 H new ATOM 0 HG3 MET A 13 11.763 0.133 -22.746 1.00 0.00 H new ATOM 0 HE1 MET A 13 14.408 0.925 -25.534 1.00 0.00 H new ATOM 0 HE2 MET A 13 13.719 2.001 -24.295 1.00 0.00 H new ATOM 0 HE3 MET A 13 14.152 0.326 -23.877 1.00 0.00 H new ATOM 211 N GLY A 14 10.791 -2.611 -25.500 1.00 0.00 N ATOM 212 CA GLY A 14 11.874 -3.114 -26.328 1.00 0.00 C ATOM 213 C GLY A 14 12.282 -4.560 -26.052 1.00 0.00 C ATOM 214 O GLY A 14 13.371 -4.982 -26.458 1.00 0.00 O ATOM 0 H GLY A 14 9.895 -2.542 -25.982 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.580 -3.029 -27.374 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.745 -2.474 -26.188 1.00 0.00 H new ATOM 218 N CYS A 15 11.437 -5.323 -25.355 1.00 0.00 N ATOM 219 CA CYS A 15 11.709 -6.748 -25.091 1.00 0.00 C ATOM 220 C CYS A 15 11.179 -7.586 -26.280 1.00 0.00 C ATOM 221 O CYS A 15 10.070 -8.142 -26.229 1.00 0.00 O ATOM 222 CB CYS A 15 11.082 -7.170 -23.738 1.00 0.00 C ATOM 223 SG CYS A 15 11.576 -8.810 -23.171 1.00 0.00 S ATOM 0 H CYS A 15 10.559 -4.984 -24.962 1.00 0.00 H new ATOM 0 HA CYS A 15 12.781 -6.924 -25.006 1.00 0.00 H new ATOM 0 HB2 CYS A 15 11.357 -6.438 -22.979 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.996 -7.142 -23.829 1.00 0.00 H new ATOM 0 HG CYS A 15 11.001 -9.067 -22.034 1.00 0.00 H new ATOM 229 N TRP A 16 11.965 -7.603 -27.384 1.00 0.00 N ATOM 230 CA TRP A 16 11.576 -8.237 -28.668 1.00 0.00 C ATOM 231 C TRP A 16 12.020 -9.711 -28.724 1.00 0.00 C ATOM 232 O TRP A 16 12.662 -10.233 -27.799 1.00 0.00 O ATOM 233 CB TRP A 16 12.209 -7.483 -29.885 1.00 0.00 C ATOM 234 CG TRP A 16 12.086 -5.980 -29.839 1.00 0.00 C ATOM 235 CD1 TRP A 16 10.960 -5.228 -30.028 1.00 0.00 C ATOM 236 CD2 TRP A 16 13.147 -5.047 -29.591 1.00 0.00 C ATOM 237 NE1 TRP A 16 11.256 -3.900 -29.898 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.591 -3.762 -29.627 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.510 -5.177 -29.322 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.353 -2.617 -29.408 1.00 0.00 C ATOM 241 CZ3 TRP A 16 15.261 -4.038 -29.111 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.681 -2.772 -29.150 1.00 0.00 C ATOM 0 H TRP A 16 12.891 -7.175 -27.409 1.00 0.00 H new ATOM 0 HA TRP A 16 10.489 -8.182 -28.727 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.266 -7.744 -29.945 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.739 -7.843 -30.800 1.00 0.00 H new ATOM 0 HD1 TRP A 16 9.980 -5.625 -30.248 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.589 -3.134 -29.988 1.00 0.00 H new ATOM 0 HE3 TRP A 16 14.970 -6.153 -29.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 12.904 -1.635 -29.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.318 -4.130 -28.912 1.00 0.00 H new ATOM 0 HH2 TRP A 16 15.294 -1.900 -28.973 1.00 0.00 H new ATOM 253 N SER A 17 11.658 -10.366 -29.838 1.00 0.00 N ATOM 254 CA SER A 17 12.220 -11.658 -30.246 1.00 0.00 C ATOM 255 C SER A 17 13.553 -11.416 -30.988 1.00 0.00 C ATOM 256 O SER A 17 13.750 -10.339 -31.569 1.00 0.00 O ATOM 257 CB SER A 17 11.211 -12.381 -31.167 1.00 0.00 C ATOM 258 OG SER A 17 9.941 -12.493 -30.544 1.00 0.00 O ATOM 0 H SER A 17 10.958 -10.007 -30.487 1.00 0.00 H new ATOM 0 HA SER A 17 12.409 -12.282 -29.372 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.113 -11.834 -32.105 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.587 -13.374 -31.415 1.00 0.00 H new ATOM 0 HG SER A 17 9.320 -12.952 -31.147 1.00 0.00 H new ATOM 264 N ILE A 18 14.444 -12.421 -30.977 1.00 0.00 N ATOM 265 CA ILE A 18 15.756 -12.350 -31.665 1.00 0.00 C ATOM 266 C ILE A 18 15.569 -12.096 -33.178 1.00 0.00 C ATOM 267 O ILE A 18 16.267 -11.268 -33.768 1.00 0.00 O ATOM 268 CB ILE A 18 16.585 -13.678 -31.462 1.00 0.00 C ATOM 269 CG1 ILE A 18 16.837 -13.966 -29.946 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.917 -13.655 -32.263 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.690 -12.942 -29.226 1.00 0.00 C ATOM 0 H ILE A 18 14.282 -13.305 -30.495 1.00 0.00 H new ATOM 0 HA ILE A 18 16.306 -11.520 -31.222 1.00 0.00 H new ATOM 0 HB ILE A 18 15.984 -14.497 -31.859 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.874 -14.032 -29.441 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.314 -14.942 -29.853 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.458 -14.587 -32.096 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.701 -13.546 -33.326 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.528 -12.816 -31.929 1.00 0.00 H new ATOM 0 HD11 ILE A 18 17.805 -13.233 -28.182 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.671 -12.889 -29.698 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.209 -11.965 -29.279 1.00 0.00 H new ATOM 283 N GLU A 19 14.595 -12.808 -33.777 1.00 0.00 N ATOM 284 CA GLU A 19 14.289 -12.702 -35.212 1.00 0.00 C ATOM 285 C GLU A 19 13.655 -11.351 -35.556 1.00 0.00 C ATOM 286 O GLU A 19 13.896 -10.816 -36.636 1.00 0.00 O ATOM 287 CB GLU A 19 13.400 -13.872 -35.668 1.00 0.00 C ATOM 288 CG GLU A 19 14.133 -15.221 -35.683 1.00 0.00 C ATOM 289 CD GLU A 19 13.216 -16.402 -36.037 1.00 0.00 C ATOM 290 OE1 GLU A 19 12.911 -16.596 -37.236 1.00 0.00 O ATOM 291 OE2 GLU A 19 12.775 -17.128 -35.118 1.00 0.00 O ATOM 0 H GLU A 19 14.001 -13.471 -33.279 1.00 0.00 H new ATOM 0 HA GLU A 19 15.231 -12.762 -35.758 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.537 -13.943 -35.006 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.019 -13.662 -36.668 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.951 -15.175 -36.402 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.579 -15.396 -34.704 1.00 0.00 H new ATOM 298 N HIS A 20 12.876 -10.779 -34.625 1.00 0.00 N ATOM 299 CA HIS A 20 12.295 -9.439 -34.824 1.00 0.00 C ATOM 300 C HIS A 20 13.423 -8.394 -34.889 1.00 0.00 C ATOM 301 O HIS A 20 13.420 -7.522 -35.756 1.00 0.00 O ATOM 302 CB HIS A 20 11.289 -9.088 -33.703 1.00 0.00 C ATOM 303 CG HIS A 20 10.590 -7.774 -33.934 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.543 -7.635 -34.823 1.00 0.00 N ATOM 305 CD2 HIS A 20 10.794 -6.539 -33.411 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.151 -6.380 -34.849 1.00 0.00 C ATOM 307 NE2 HIS A 20 9.890 -5.694 -34.002 1.00 0.00 N ATOM 0 H HIS A 20 12.635 -11.216 -33.736 1.00 0.00 H new ATOM 0 HA HIS A 20 11.746 -9.435 -35.766 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.545 -9.881 -33.628 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.814 -9.052 -32.749 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.531 -6.271 -32.668 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.357 -5.979 -35.462 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.804 -4.695 -33.816 1.00 0.00 H new ATOM 316 N VAL A 21 14.401 -8.547 -33.985 1.00 0.00 N ATOM 317 CA VAL A 21 15.605 -7.707 -33.942 1.00 0.00 C ATOM 318 C VAL A 21 16.339 -7.759 -35.296 1.00 0.00 C ATOM 319 O VAL A 21 16.369 -6.765 -36.007 1.00 0.00 O ATOM 320 CB VAL A 21 16.555 -8.158 -32.764 1.00 0.00 C ATOM 321 CG1 VAL A 21 17.963 -7.515 -32.848 1.00 0.00 C ATOM 322 CG2 VAL A 21 15.894 -7.851 -31.404 1.00 0.00 C ATOM 0 H VAL A 21 14.378 -9.262 -33.258 1.00 0.00 H new ATOM 0 HA VAL A 21 15.306 -6.676 -33.755 1.00 0.00 H new ATOM 0 HB VAL A 21 16.701 -9.234 -32.861 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.572 -7.862 -32.013 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.438 -7.801 -33.786 1.00 0.00 H new ATOM 0 HG13 VAL A 21 17.871 -6.430 -32.804 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.557 -8.166 -30.598 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.708 -6.780 -31.323 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.950 -8.390 -31.328 1.00 0.00 H new ATOM 332 N GLU A 22 16.820 -8.958 -35.676 1.00 0.00 N ATOM 333 CA GLU A 22 17.724 -9.139 -36.830 1.00 0.00 C ATOM 334 C GLU A 22 17.072 -8.734 -38.163 1.00 0.00 C ATOM 335 O GLU A 22 17.691 -8.029 -38.969 1.00 0.00 O ATOM 336 CB GLU A 22 18.244 -10.599 -36.897 1.00 0.00 C ATOM 337 CG GLU A 22 17.170 -11.689 -37.010 1.00 0.00 C ATOM 338 CD GLU A 22 17.744 -13.109 -37.022 1.00 0.00 C ATOM 339 OE1 GLU A 22 18.148 -13.608 -35.947 1.00 0.00 O ATOM 340 OE2 GLU A 22 17.806 -13.729 -38.103 1.00 0.00 O ATOM 0 H GLU A 22 16.594 -9.828 -35.193 1.00 0.00 H new ATOM 0 HA GLU A 22 18.570 -8.469 -36.675 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.914 -10.687 -37.752 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.839 -10.794 -36.005 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.476 -11.593 -36.175 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.595 -11.529 -37.922 1.00 0.00 H new ATOM 347 N GLN A 23 15.810 -9.145 -38.360 1.00 0.00 N ATOM 348 CA GLN A 23 15.095 -8.940 -39.631 1.00 0.00 C ATOM 349 C GLN A 23 14.658 -7.475 -39.792 1.00 0.00 C ATOM 350 O GLN A 23 14.620 -6.958 -40.916 1.00 0.00 O ATOM 351 CB GLN A 23 13.873 -9.896 -39.724 1.00 0.00 C ATOM 352 CG GLN A 23 14.232 -11.403 -39.652 1.00 0.00 C ATOM 353 CD GLN A 23 15.222 -11.892 -40.723 1.00 0.00 C ATOM 354 OE1 GLN A 23 15.258 -11.390 -41.847 1.00 0.00 O ATOM 355 NE2 GLN A 23 16.038 -12.879 -40.375 1.00 0.00 N ATOM 0 H GLN A 23 15.259 -9.626 -37.649 1.00 0.00 H new ATOM 0 HA GLN A 23 15.779 -9.172 -40.447 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.181 -9.661 -38.916 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.347 -9.704 -40.660 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.652 -11.613 -38.668 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.313 -11.983 -39.737 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.987 -13.276 -39.437 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.717 -13.240 -41.045 1.00 0.00 H new ATOM 364 N TYR A 24 14.333 -6.808 -38.665 1.00 0.00 N ATOM 365 CA TYR A 24 13.869 -5.402 -38.681 1.00 0.00 C ATOM 366 C TYR A 24 15.015 -4.399 -38.402 1.00 0.00 C ATOM 367 O TYR A 24 14.783 -3.200 -38.512 1.00 0.00 O ATOM 368 CB TYR A 24 12.699 -5.204 -37.672 1.00 0.00 C ATOM 369 CG TYR A 24 11.375 -5.896 -38.050 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.267 -7.289 -38.098 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.230 -5.153 -38.360 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.079 -7.911 -38.437 1.00 0.00 C ATOM 373 CE2 TYR A 24 9.040 -5.770 -38.698 1.00 0.00 C ATOM 374 CZ TYR A 24 8.968 -7.149 -38.740 1.00 0.00 C ATOM 375 OH TYR A 24 7.777 -7.766 -39.080 1.00 0.00 O ATOM 0 H TYR A 24 14.383 -7.219 -37.733 1.00 0.00 H new ATOM 0 HA TYR A 24 13.506 -5.192 -39.687 1.00 0.00 H new ATOM 0 HB2 TYR A 24 13.017 -5.573 -36.697 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.513 -4.136 -37.563 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.131 -7.893 -37.865 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.277 -4.074 -38.335 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.021 -8.989 -38.465 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.169 -5.175 -38.929 1.00 0.00 H new ATOM 0 HH TYR A 24 7.096 -7.085 -39.262 1.00 0.00 H new ATOM 385 N LEU A 25 16.238 -4.870 -38.058 1.00 0.00 N ATOM 386 CA LEU A 25 17.400 -3.966 -37.820 1.00 0.00 C ATOM 387 C LEU A 25 17.759 -3.160 -39.086 1.00 0.00 C ATOM 388 O LEU A 25 18.192 -3.725 -40.094 1.00 0.00 O ATOM 389 CB LEU A 25 18.651 -4.745 -37.288 1.00 0.00 C ATOM 390 CG LEU A 25 18.793 -4.829 -35.735 1.00 0.00 C ATOM 391 CD1 LEU A 25 20.023 -5.651 -35.332 1.00 0.00 C ATOM 392 CD2 LEU A 25 18.838 -3.427 -35.099 1.00 0.00 C ATOM 0 H LEU A 25 16.449 -5.861 -37.939 1.00 0.00 H new ATOM 0 HA LEU A 25 17.095 -3.263 -37.045 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.619 -5.759 -37.686 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.547 -4.273 -37.690 1.00 0.00 H new ATOM 0 HG LEU A 25 17.909 -5.340 -35.354 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.094 -5.691 -34.245 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.930 -6.663 -35.727 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.921 -5.185 -35.737 1.00 0.00 H new ATOM 0 HD21 LEU A 25 18.937 -3.521 -34.018 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.690 -2.875 -35.495 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.918 -2.891 -35.334 1.00 0.00 H new ATOM 404 N GLY A 26 17.567 -1.834 -38.998 1.00 0.00 N ATOM 405 CA GLY A 26 17.837 -0.903 -40.100 1.00 0.00 C ATOM 406 C GLY A 26 16.566 -0.271 -40.671 1.00 0.00 C ATOM 407 O GLY A 26 16.646 0.727 -41.396 1.00 0.00 O ATOM 0 H GLY A 26 17.218 -1.378 -38.155 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.502 -0.114 -39.748 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.362 -1.432 -40.895 1.00 0.00 H new ATOM 411 N THR A 27 15.390 -0.854 -40.352 1.00 0.00 N ATOM 412 CA THR A 27 14.084 -0.331 -40.819 1.00 0.00 C ATOM 413 C THR A 27 13.640 0.870 -39.960 1.00 0.00 C ATOM 414 O THR A 27 14.260 1.183 -38.934 1.00 0.00 O ATOM 415 CB THR A 27 12.953 -1.427 -40.778 1.00 0.00 C ATOM 416 OG1 THR A 27 12.621 -1.765 -39.422 1.00 0.00 O ATOM 417 CG2 THR A 27 13.347 -2.707 -41.534 1.00 0.00 C ATOM 0 H THR A 27 15.317 -1.689 -39.771 1.00 0.00 H new ATOM 0 HA THR A 27 14.228 -0.020 -41.854 1.00 0.00 H new ATOM 0 HB THR A 27 12.086 -0.993 -41.276 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.399 -2.172 -38.986 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.533 -3.430 -41.475 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.544 -2.467 -42.579 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.244 -3.133 -41.085 1.00 0.00 H new ATOM 425 N ASP A 28 12.549 1.527 -40.383 1.00 0.00 N ATOM 426 CA ASP A 28 11.884 2.571 -39.581 1.00 0.00 C ATOM 427 C ASP A 28 11.229 1.944 -38.340 1.00 0.00 C ATOM 428 O ASP A 28 11.111 2.588 -37.293 1.00 0.00 O ATOM 429 CB ASP A 28 10.817 3.307 -40.430 1.00 0.00 C ATOM 430 CG ASP A 28 11.414 4.028 -41.653 1.00 0.00 C ATOM 431 OD1 ASP A 28 11.589 3.384 -42.708 1.00 0.00 O ATOM 432 OD2 ASP A 28 11.726 5.237 -41.559 1.00 0.00 O ATOM 0 H ASP A 28 12.104 1.353 -41.284 1.00 0.00 H new ATOM 0 HA ASP A 28 12.634 3.294 -39.260 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.070 2.588 -40.768 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.300 4.034 -39.803 1.00 0.00 H new ATOM 437 N GLU A 29 10.820 0.673 -38.484 1.00 0.00 N ATOM 438 CA GLU A 29 10.169 -0.104 -37.417 1.00 0.00 C ATOM 439 C GLU A 29 11.158 -0.484 -36.296 1.00 0.00 C ATOM 440 O GLU A 29 10.771 -0.544 -35.121 1.00 0.00 O ATOM 441 CB GLU A 29 9.510 -1.368 -38.029 1.00 0.00 C ATOM 442 CG GLU A 29 8.319 -1.070 -38.959 1.00 0.00 C ATOM 443 CD GLU A 29 7.171 -0.351 -38.228 1.00 0.00 C ATOM 444 OE1 GLU A 29 6.388 -1.028 -37.522 1.00 0.00 O ATOM 445 OE2 GLU A 29 7.055 0.890 -38.334 1.00 0.00 O ATOM 0 H GLU A 29 10.933 0.151 -39.353 1.00 0.00 H new ATOM 0 HA GLU A 29 9.400 0.518 -36.959 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.264 -1.923 -38.588 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.172 -2.016 -37.220 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.657 -0.455 -39.793 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.949 -2.004 -39.382 1.00 0.00 H new ATOM 452 N LEU A 30 12.431 -0.736 -36.657 1.00 0.00 N ATOM 453 CA LEU A 30 13.477 -1.078 -35.674 1.00 0.00 C ATOM 454 C LEU A 30 14.835 -0.540 -36.174 1.00 0.00 C ATOM 455 O LEU A 30 15.597 -1.268 -36.813 1.00 0.00 O ATOM 456 CB LEU A 30 13.502 -2.629 -35.419 1.00 0.00 C ATOM 457 CG LEU A 30 13.946 -3.140 -34.009 1.00 0.00 C ATOM 458 CD1 LEU A 30 15.443 -2.898 -33.716 1.00 0.00 C ATOM 459 CD2 LEU A 30 13.058 -2.517 -32.925 1.00 0.00 C ATOM 0 H LEU A 30 12.760 -0.709 -37.622 1.00 0.00 H new ATOM 0 HA LEU A 30 13.261 -0.607 -34.715 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.501 -3.014 -35.612 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.165 -3.077 -36.159 1.00 0.00 H new ATOM 0 HG LEU A 30 13.817 -4.222 -34.003 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.685 -3.276 -32.723 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.048 -3.418 -34.459 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.654 -1.830 -33.759 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.373 -2.877 -31.946 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.150 -1.431 -32.959 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.020 -2.799 -33.099 1.00 0.00 H new ATOM 471 N PRO A 31 15.132 0.776 -35.953 1.00 0.00 N ATOM 472 CA PRO A 31 16.472 1.337 -36.223 1.00 0.00 C ATOM 473 C PRO A 31 17.540 0.706 -35.307 1.00 0.00 C ATOM 474 O PRO A 31 17.238 0.279 -34.183 1.00 0.00 O ATOM 475 CB PRO A 31 16.303 2.859 -35.949 1.00 0.00 C ATOM 476 CG PRO A 31 15.092 2.961 -35.068 1.00 0.00 C ATOM 477 CD PRO A 31 14.186 1.825 -35.476 1.00 0.00 C ATOM 0 HA PRO A 31 16.816 1.135 -37.237 1.00 0.00 H new ATOM 0 HB2 PRO A 31 17.184 3.272 -35.458 1.00 0.00 H new ATOM 0 HB3 PRO A 31 16.165 3.414 -36.877 1.00 0.00 H new ATOM 0 HG2 PRO A 31 15.367 2.883 -34.016 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.595 3.922 -35.197 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.584 1.471 -34.639 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.493 2.127 -36.261 1.00 0.00 H new ATOM 485 N LYS A 32 18.786 0.658 -35.803 1.00 0.00 N ATOM 486 CA LYS A 32 19.938 0.154 -35.043 1.00 0.00 C ATOM 487 C LYS A 32 20.162 0.983 -33.763 1.00 0.00 C ATOM 488 O LYS A 32 20.499 0.431 -32.712 1.00 0.00 O ATOM 489 CB LYS A 32 21.208 0.135 -35.941 1.00 0.00 C ATOM 490 CG LYS A 32 21.219 -0.997 -37.000 1.00 0.00 C ATOM 491 CD LYS A 32 22.575 -1.112 -37.735 1.00 0.00 C ATOM 492 CE LYS A 32 22.883 0.097 -38.626 1.00 0.00 C ATOM 493 NZ LYS A 32 24.224 -0.003 -39.249 1.00 0.00 N ATOM 0 H LYS A 32 19.023 0.969 -36.745 1.00 0.00 H new ATOM 0 HA LYS A 32 19.729 -0.869 -34.732 1.00 0.00 H new ATOM 0 HB2 LYS A 32 21.294 1.095 -36.450 1.00 0.00 H new ATOM 0 HB3 LYS A 32 22.087 0.032 -35.305 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.992 -1.946 -36.514 1.00 0.00 H new ATOM 0 HG3 LYS A 32 20.429 -0.815 -37.729 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.371 -1.225 -36.999 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.575 -2.015 -38.346 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.125 0.176 -39.406 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.826 1.009 -38.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.280 0.647 -40.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.951 0.251 -38.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 24.383 -0.977 -39.576 1.00 0.00 H new ATOM 507 N ASN A 33 19.909 2.302 -33.872 1.00 0.00 N ATOM 508 CA ASN A 33 19.951 3.255 -32.734 1.00 0.00 C ATOM 509 C ASN A 33 19.129 2.733 -31.529 1.00 0.00 C ATOM 510 O ASN A 33 19.575 2.806 -30.384 1.00 0.00 O ATOM 511 CB ASN A 33 19.363 4.619 -33.188 1.00 0.00 C ATOM 512 CG ASN A 33 19.493 5.741 -32.146 1.00 0.00 C ATOM 513 OD1 ASN A 33 20.402 6.562 -32.216 1.00 0.00 O ATOM 514 ND2 ASN A 33 18.610 5.766 -31.156 1.00 0.00 N ATOM 0 H ASN A 33 19.667 2.745 -34.759 1.00 0.00 H new ATOM 0 HA ASN A 33 20.990 3.366 -32.423 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.864 4.930 -34.105 1.00 0.00 H new ATOM 0 HB3 ASN A 33 18.309 4.484 -33.431 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.678 6.479 -30.430 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.863 5.072 -31.121 1.00 0.00 H new ATOM 521 N ASP A 34 17.937 2.195 -31.839 1.00 0.00 N ATOM 522 CA ASP A 34 16.920 1.786 -30.843 1.00 0.00 C ATOM 523 C ASP A 34 17.325 0.495 -30.100 1.00 0.00 C ATOM 524 O ASP A 34 17.045 0.342 -28.900 1.00 0.00 O ATOM 525 CB ASP A 34 15.557 1.607 -31.558 1.00 0.00 C ATOM 526 CG ASP A 34 14.378 1.410 -30.593 1.00 0.00 C ATOM 527 OD1 ASP A 34 14.051 2.359 -29.846 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.759 0.332 -30.594 1.00 0.00 O ATOM 0 H ASP A 34 17.644 2.028 -32.802 1.00 0.00 H new ATOM 0 HA ASP A 34 16.840 2.568 -30.088 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.365 2.481 -32.180 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.617 0.748 -32.226 1.00 0.00 H new ATOM 533 N LEU A 35 17.998 -0.417 -30.823 1.00 0.00 N ATOM 534 CA LEU A 35 18.559 -1.663 -30.244 1.00 0.00 C ATOM 535 C LEU A 35 19.655 -1.290 -29.220 1.00 0.00 C ATOM 536 O LEU A 35 19.664 -1.785 -28.081 1.00 0.00 O ATOM 537 CB LEU A 35 19.124 -2.559 -31.398 1.00 0.00 C ATOM 538 CG LEU A 35 19.490 -4.065 -31.099 1.00 0.00 C ATOM 539 CD1 LEU A 35 20.738 -4.244 -30.213 1.00 0.00 C ATOM 540 CD2 LEU A 35 18.293 -4.819 -30.514 1.00 0.00 C ATOM 0 H LEU A 35 18.171 -0.317 -31.823 1.00 0.00 H new ATOM 0 HA LEU A 35 17.787 -2.231 -29.726 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.391 -2.554 -32.205 1.00 0.00 H new ATOM 0 HB3 LEU A 35 20.022 -2.073 -31.780 1.00 0.00 H new ATOM 0 HG LEU A 35 19.747 -4.500 -32.065 1.00 0.00 H new ATOM 0 HD11 LEU A 35 20.922 -5.307 -30.054 1.00 0.00 H new ATOM 0 HD12 LEU A 35 21.601 -3.796 -30.705 1.00 0.00 H new ATOM 0 HD13 LEU A 35 20.575 -3.757 -29.252 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.575 -5.854 -30.318 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.984 -4.345 -29.583 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.466 -4.796 -31.224 1.00 0.00 H new ATOM 552 N ILE A 36 20.560 -0.396 -29.657 1.00 0.00 N ATOM 553 CA ILE A 36 21.660 0.142 -28.823 1.00 0.00 C ATOM 554 C ILE A 36 21.100 0.826 -27.554 1.00 0.00 C ATOM 555 O ILE A 36 21.649 0.658 -26.459 1.00 0.00 O ATOM 556 CB ILE A 36 22.526 1.160 -29.666 1.00 0.00 C ATOM 557 CG1 ILE A 36 23.121 0.447 -30.922 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.655 1.807 -28.821 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.771 1.361 -31.950 1.00 0.00 C ATOM 0 H ILE A 36 20.552 -0.021 -30.606 1.00 0.00 H new ATOM 0 HA ILE A 36 22.296 -0.685 -28.508 1.00 0.00 H new ATOM 0 HB ILE A 36 21.866 1.965 -29.989 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.862 -0.280 -30.588 1.00 0.00 H new ATOM 0 HG13 ILE A 36 22.324 -0.112 -31.412 1.00 0.00 H new ATOM 0 HG21 ILE A 36 24.223 2.499 -29.442 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.217 2.348 -27.982 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.319 1.029 -28.444 1.00 0.00 H new ATOM 0 HD11 ILE A 36 24.150 0.764 -32.779 1.00 0.00 H new ATOM 0 HD12 ILE A 36 23.034 2.072 -32.322 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.595 1.902 -31.486 1.00 0.00 H new ATOM 571 N THR A 37 19.978 1.555 -27.730 1.00 0.00 N ATOM 572 CA THR A 37 19.274 2.254 -26.641 1.00 0.00 C ATOM 573 C THR A 37 18.746 1.254 -25.585 1.00 0.00 C ATOM 574 O THR A 37 18.957 1.455 -24.382 1.00 0.00 O ATOM 575 CB THR A 37 18.105 3.131 -27.186 1.00 0.00 C ATOM 576 OG1 THR A 37 18.626 4.103 -28.114 1.00 0.00 O ATOM 577 CG2 THR A 37 17.345 3.863 -26.062 1.00 0.00 C ATOM 0 H THR A 37 19.534 1.674 -28.640 1.00 0.00 H new ATOM 0 HA THR A 37 19.997 2.913 -26.162 1.00 0.00 H new ATOM 0 HB THR A 37 17.401 2.462 -27.681 1.00 0.00 H new ATOM 0 HG1 THR A 37 18.962 3.645 -28.913 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.542 4.459 -26.495 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.923 3.132 -25.372 1.00 0.00 H new ATOM 0 HG23 THR A 37 18.032 4.516 -25.524 1.00 0.00 H new ATOM 585 N TYR A 38 18.093 0.162 -26.045 1.00 0.00 N ATOM 586 CA TYR A 38 17.568 -0.889 -25.144 1.00 0.00 C ATOM 587 C TYR A 38 18.711 -1.477 -24.304 1.00 0.00 C ATOM 588 O TYR A 38 18.589 -1.618 -23.088 1.00 0.00 O ATOM 589 CB TYR A 38 16.854 -2.022 -25.934 1.00 0.00 C ATOM 590 CG TYR A 38 16.335 -3.182 -25.051 1.00 0.00 C ATOM 591 CD1 TYR A 38 15.085 -3.124 -24.436 1.00 0.00 C ATOM 592 CD2 TYR A 38 17.095 -4.335 -24.829 1.00 0.00 C ATOM 593 CE1 TYR A 38 14.624 -4.168 -23.639 1.00 0.00 C ATOM 594 CE2 TYR A 38 16.633 -5.375 -24.042 1.00 0.00 C ATOM 595 CZ TYR A 38 15.402 -5.285 -23.449 1.00 0.00 C ATOM 596 OH TYR A 38 14.942 -6.327 -22.665 1.00 0.00 O ATOM 0 H TYR A 38 17.917 -0.014 -27.034 1.00 0.00 H new ATOM 0 HA TYR A 38 16.831 -0.426 -24.488 1.00 0.00 H new ATOM 0 HB2 TYR A 38 16.015 -1.594 -26.482 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.546 -2.425 -26.674 1.00 0.00 H new ATOM 0 HD1 TYR A 38 14.463 -2.253 -24.581 1.00 0.00 H new ATOM 0 HD2 TYR A 38 18.071 -4.416 -25.285 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.654 -4.100 -23.169 1.00 0.00 H new ATOM 0 HE2 TYR A 38 17.241 -6.255 -23.896 1.00 0.00 H new ATOM 0 HH TYR A 38 15.616 -7.038 -22.637 1.00 0.00 H new ATOM 606 N LEU A 39 19.829 -1.789 -24.969 1.00 0.00 N ATOM 607 CA LEU A 39 20.998 -2.408 -24.317 1.00 0.00 C ATOM 608 C LEU A 39 21.597 -1.481 -23.239 1.00 0.00 C ATOM 609 O LEU A 39 21.878 -1.931 -22.144 1.00 0.00 O ATOM 610 CB LEU A 39 22.063 -2.829 -25.378 1.00 0.00 C ATOM 611 CG LEU A 39 21.924 -4.287 -25.950 1.00 0.00 C ATOM 612 CD1 LEU A 39 20.496 -4.603 -26.428 1.00 0.00 C ATOM 613 CD2 LEU A 39 22.941 -4.541 -27.076 1.00 0.00 C ATOM 0 H LEU A 39 19.953 -1.623 -25.968 1.00 0.00 H new ATOM 0 HA LEU A 39 20.664 -3.312 -23.808 1.00 0.00 H new ATOM 0 HB2 LEU A 39 22.015 -2.127 -26.210 1.00 0.00 H new ATOM 0 HB3 LEU A 39 23.052 -2.727 -24.932 1.00 0.00 H new ATOM 0 HG LEU A 39 22.141 -4.964 -25.124 1.00 0.00 H new ATOM 0 HD11 LEU A 39 20.458 -5.622 -26.813 1.00 0.00 H new ATOM 0 HD12 LEU A 39 19.803 -4.505 -25.593 1.00 0.00 H new ATOM 0 HD13 LEU A 39 20.214 -3.906 -27.218 1.00 0.00 H new ATOM 0 HD21 LEU A 39 22.821 -5.557 -27.452 1.00 0.00 H new ATOM 0 HD22 LEU A 39 22.771 -3.832 -27.886 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.952 -4.414 -26.689 1.00 0.00 H new ATOM 625 N GLN A 40 21.743 -0.177 -23.540 1.00 0.00 N ATOM 626 CA GLN A 40 22.334 0.792 -22.581 1.00 0.00 C ATOM 627 C GLN A 40 21.373 1.140 -21.436 1.00 0.00 C ATOM 628 O GLN A 40 21.809 1.634 -20.392 1.00 0.00 O ATOM 629 CB GLN A 40 22.870 2.053 -23.313 1.00 0.00 C ATOM 630 CG GLN A 40 21.817 2.890 -24.059 1.00 0.00 C ATOM 631 CD GLN A 40 22.393 3.764 -25.185 1.00 0.00 C ATOM 632 OE1 GLN A 40 23.402 3.255 -25.888 1.00 0.00 O flip ATOM 633 NE2 GLN A 40 21.890 4.854 -25.466 1.00 0.00 N flip ATOM 0 H GLN A 40 21.464 0.233 -24.431 1.00 0.00 H new ATOM 0 HA GLN A 40 23.190 0.305 -22.114 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.364 2.693 -22.581 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.631 1.740 -24.028 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.068 2.220 -24.481 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.304 3.531 -23.342 1.00 0.00 H new ATOM 0 HE21 GLN A 40 21.117 5.218 -24.908 1.00 0.00 H new ATOM 0 HE22 GLN A 40 22.246 5.392 -26.256 1.00 0.00 H new ATOM 642 N LYS A 41 20.071 0.879 -21.628 1.00 0.00 N ATOM 643 CA LYS A 41 19.068 1.029 -20.557 1.00 0.00 C ATOM 644 C LYS A 41 19.080 -0.188 -19.601 1.00 0.00 C ATOM 645 O LYS A 41 19.242 -0.030 -18.388 1.00 0.00 O ATOM 646 CB LYS A 41 17.649 1.227 -21.154 1.00 0.00 C ATOM 647 CG LYS A 41 17.437 2.595 -21.840 1.00 0.00 C ATOM 648 CD LYS A 41 16.014 2.766 -22.419 1.00 0.00 C ATOM 649 CE LYS A 41 14.905 2.606 -21.359 1.00 0.00 C ATOM 650 NZ LYS A 41 15.038 3.581 -20.250 1.00 0.00 N ATOM 0 H LYS A 41 19.685 0.562 -22.517 1.00 0.00 H new ATOM 0 HA LYS A 41 19.332 1.916 -19.982 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.458 0.436 -21.879 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.913 1.114 -20.358 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.628 3.390 -21.119 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.166 2.710 -22.642 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.931 3.752 -22.877 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.860 2.033 -23.211 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.932 2.730 -21.834 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.936 1.594 -20.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.261 3.445 -19.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.948 3.436 -19.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.999 4.548 -20.631 1.00 0.00 H new ATOM 664 N ASN A 42 18.920 -1.398 -20.159 1.00 0.00 N ATOM 665 CA ASN A 42 18.671 -2.621 -19.362 1.00 0.00 C ATOM 666 C ASN A 42 19.968 -3.287 -18.863 1.00 0.00 C ATOM 667 O ASN A 42 19.922 -4.073 -17.908 1.00 0.00 O ATOM 668 CB ASN A 42 17.801 -3.614 -20.178 1.00 0.00 C ATOM 669 CG ASN A 42 16.397 -3.060 -20.460 1.00 0.00 C ATOM 670 OD1 ASN A 42 15.465 -3.260 -19.688 1.00 0.00 O ATOM 671 ND2 ASN A 42 16.240 -2.347 -21.560 1.00 0.00 N ATOM 0 H ASN A 42 18.958 -1.561 -21.165 1.00 0.00 H new ATOM 0 HA ASN A 42 18.127 -2.323 -18.466 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.298 -3.838 -21.122 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.716 -4.553 -19.632 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.328 -1.948 -21.784 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.031 -2.195 -22.186 1.00 0.00 H new ATOM 678 N ALA A 43 21.110 -2.987 -19.509 1.00 0.00 N ATOM 679 CA ALA A 43 22.445 -3.466 -19.053 1.00 0.00 C ATOM 680 C ALA A 43 23.138 -2.454 -18.133 1.00 0.00 C ATOM 681 O ALA A 43 22.654 -1.333 -17.921 1.00 0.00 O ATOM 682 CB ALA A 43 23.370 -3.754 -20.248 1.00 0.00 C ATOM 0 H ALA A 43 21.143 -2.414 -20.352 1.00 0.00 H new ATOM 0 HA ALA A 43 22.263 -4.384 -18.495 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.337 -4.102 -19.884 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.922 -4.522 -20.878 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.508 -2.842 -20.829 1.00 0.00 H new ATOM 688 N ASP A 44 24.285 -2.901 -17.593 1.00 0.00 N ATOM 689 CA ASP A 44 25.259 -2.052 -16.890 1.00 0.00 C ATOM 690 C ASP A 44 26.254 -1.499 -17.923 1.00 0.00 C ATOM 691 O ASP A 44 26.456 -2.114 -18.980 1.00 0.00 O ATOM 692 CB ASP A 44 26.018 -2.864 -15.800 1.00 0.00 C ATOM 693 CG ASP A 44 25.089 -3.699 -14.902 1.00 0.00 C ATOM 694 OD1 ASP A 44 24.732 -4.842 -15.297 1.00 0.00 O ATOM 695 OD2 ASP A 44 24.698 -3.226 -13.814 1.00 0.00 O ATOM 0 H ASP A 44 24.565 -3.881 -17.634 1.00 0.00 H new ATOM 0 HA ASP A 44 24.736 -1.235 -16.393 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.735 -3.527 -16.285 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.590 -2.176 -15.178 1.00 0.00 H new ATOM 700 N ALA A 45 26.899 -0.371 -17.584 1.00 0.00 N ATOM 701 CA ALA A 45 27.787 0.384 -18.505 1.00 0.00 C ATOM 702 C ALA A 45 28.914 -0.493 -19.115 1.00 0.00 C ATOM 703 O ALA A 45 29.364 -0.240 -20.241 1.00 0.00 O ATOM 704 CB ALA A 45 28.373 1.597 -17.771 1.00 0.00 C ATOM 0 H ALA A 45 26.823 0.052 -16.659 1.00 0.00 H new ATOM 0 HA ALA A 45 27.180 0.720 -19.345 1.00 0.00 H new ATOM 0 HB1 ALA A 45 29.025 2.151 -18.447 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.563 2.245 -17.435 1.00 0.00 H new ATOM 0 HB3 ALA A 45 28.948 1.258 -16.909 1.00 0.00 H new ATOM 710 N ALA A 46 29.315 -1.534 -18.364 1.00 0.00 N ATOM 711 CA ALA A 46 30.359 -2.506 -18.768 1.00 0.00 C ATOM 712 C ALA A 46 30.036 -3.202 -20.113 1.00 0.00 C ATOM 713 O ALA A 46 30.923 -3.388 -20.962 1.00 0.00 O ATOM 714 CB ALA A 46 30.525 -3.558 -17.661 1.00 0.00 C ATOM 0 H ALA A 46 28.920 -1.731 -17.445 1.00 0.00 H new ATOM 0 HA ALA A 46 31.288 -1.954 -18.912 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.292 -4.276 -17.953 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.822 -3.067 -16.734 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.580 -4.079 -17.509 1.00 0.00 H new ATOM 720 N PHE A 47 28.754 -3.567 -20.290 1.00 0.00 N ATOM 721 CA PHE A 47 28.265 -4.296 -21.483 1.00 0.00 C ATOM 722 C PHE A 47 28.401 -3.428 -22.748 1.00 0.00 C ATOM 723 O PHE A 47 28.729 -3.918 -23.834 1.00 0.00 O ATOM 724 CB PHE A 47 26.786 -4.700 -21.261 1.00 0.00 C ATOM 725 CG PHE A 47 26.213 -5.669 -22.293 1.00 0.00 C ATOM 726 CD1 PHE A 47 26.476 -7.032 -22.202 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.408 -5.224 -23.347 1.00 0.00 C ATOM 728 CE1 PHE A 47 25.961 -7.921 -23.128 1.00 0.00 C ATOM 729 CE2 PHE A 47 24.893 -6.116 -24.271 1.00 0.00 C ATOM 730 CZ PHE A 47 25.171 -7.463 -24.160 1.00 0.00 C ATOM 0 H PHE A 47 28.022 -3.366 -19.609 1.00 0.00 H new ATOM 0 HA PHE A 47 28.869 -5.192 -21.627 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.694 -5.151 -20.273 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.176 -3.797 -21.257 1.00 0.00 H new ATOM 0 HD1 PHE A 47 27.092 -7.402 -21.396 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.186 -4.171 -23.441 1.00 0.00 H new ATOM 0 HE1 PHE A 47 26.178 -8.975 -23.042 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.273 -5.758 -25.080 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.769 -8.158 -24.882 1.00 0.00 H new ATOM 740 N LEU A 48 28.159 -2.127 -22.576 1.00 0.00 N ATOM 741 CA LEU A 48 28.190 -1.150 -23.669 1.00 0.00 C ATOM 742 C LEU A 48 29.624 -0.753 -23.994 1.00 0.00 C ATOM 743 O LEU A 48 29.936 -0.431 -25.126 1.00 0.00 O ATOM 744 CB LEU A 48 27.336 0.093 -23.314 1.00 0.00 C ATOM 745 CG LEU A 48 25.825 -0.174 -23.021 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.192 -1.121 -24.056 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.584 -0.682 -21.588 1.00 0.00 C ATOM 0 H LEU A 48 27.934 -1.718 -21.669 1.00 0.00 H new ATOM 0 HA LEU A 48 27.759 -1.613 -24.557 1.00 0.00 H new ATOM 0 HB2 LEU A 48 27.776 0.573 -22.440 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.406 0.804 -24.137 1.00 0.00 H new ATOM 0 HG LEU A 48 25.327 0.792 -23.109 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.141 -1.277 -23.811 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.272 -0.680 -25.049 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.714 -2.078 -24.041 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.518 -0.852 -21.437 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.125 -1.616 -21.437 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.938 0.062 -20.874 1.00 0.00 H new ATOM 759 N ARG A 49 30.499 -0.779 -22.995 1.00 0.00 N ATOM 760 CA ARG A 49 31.940 -0.577 -23.222 1.00 0.00 C ATOM 761 C ARG A 49 32.527 -1.786 -23.980 1.00 0.00 C ATOM 762 O ARG A 49 33.443 -1.631 -24.790 1.00 0.00 O ATOM 763 CB ARG A 49 32.656 -0.328 -21.875 1.00 0.00 C ATOM 764 CG ARG A 49 32.235 0.996 -21.195 1.00 0.00 C ATOM 765 CD ARG A 49 32.817 1.174 -19.779 1.00 0.00 C ATOM 766 NE ARG A 49 34.290 1.312 -19.796 1.00 0.00 N ATOM 767 CZ ARG A 49 35.058 1.585 -18.732 1.00 0.00 C ATOM 768 NH1 ARG A 49 34.530 1.745 -17.524 1.00 0.00 N ATOM 769 NH2 ARG A 49 36.372 1.676 -18.885 1.00 0.00 N ATOM 0 H ARG A 49 30.245 -0.937 -22.020 1.00 0.00 H new ATOM 0 HA ARG A 49 32.097 0.305 -23.843 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.445 -1.158 -21.200 1.00 0.00 H new ATOM 0 HB3 ARG A 49 33.733 -0.317 -22.040 1.00 0.00 H new ATOM 0 HG2 ARG A 49 32.554 1.832 -21.818 1.00 0.00 H new ATOM 0 HG3 ARG A 49 31.147 1.036 -21.140 1.00 0.00 H new ATOM 0 HD2 ARG A 49 32.376 2.056 -19.315 1.00 0.00 H new ATOM 0 HD3 ARG A 49 32.541 0.318 -19.164 1.00 0.00 H new ATOM 0 HE ARG A 49 34.760 1.189 -20.693 1.00 0.00 H new ATOM 0 HH11 ARG A 49 33.522 1.661 -17.393 1.00 0.00 H new ATOM 0 HH12 ARG A 49 35.132 1.952 -16.727 1.00 0.00 H new ATOM 0 HH21 ARG A 49 36.789 1.539 -19.806 1.00 0.00 H new ATOM 0 HH22 ARG A 49 36.966 1.883 -18.082 1.00 0.00 H new ATOM 783 N HIS A 50 31.936 -2.978 -23.741 1.00 0.00 N ATOM 784 CA HIS A 50 32.322 -4.239 -24.410 1.00 0.00 C ATOM 785 C HIS A 50 31.987 -4.187 -25.914 1.00 0.00 C ATOM 786 O HIS A 50 32.865 -4.354 -26.761 1.00 0.00 O ATOM 787 CB HIS A 50 31.599 -5.431 -23.721 1.00 0.00 C ATOM 788 CG HIS A 50 31.994 -6.800 -24.212 1.00 0.00 C ATOM 789 ND1 HIS A 50 32.960 -7.567 -23.596 1.00 0.00 N ATOM 790 CD2 HIS A 50 31.522 -7.553 -25.235 1.00 0.00 C ATOM 791 CE1 HIS A 50 33.069 -8.725 -24.219 1.00 0.00 C ATOM 792 NE2 HIS A 50 32.208 -8.743 -25.217 1.00 0.00 N ATOM 0 H HIS A 50 31.173 -3.092 -23.074 1.00 0.00 H new ATOM 0 HA HIS A 50 33.399 -4.376 -24.319 1.00 0.00 H new ATOM 0 HB2 HIS A 50 31.791 -5.379 -22.649 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.524 -5.311 -23.859 1.00 0.00 H new ATOM 0 HD2 HIS A 50 30.750 -7.270 -25.935 1.00 0.00 H new ATOM 0 HE1 HIS A 50 33.748 -9.522 -23.956 1.00 0.00 H new ATOM 0 HE2 HIS A 50 32.073 -9.515 -25.870 1.00 0.00 H new ATOM 801 N TRP A 51 30.704 -3.940 -26.230 1.00 0.00 N ATOM 802 CA TRP A 51 30.202 -3.913 -27.629 1.00 0.00 C ATOM 803 C TRP A 51 30.405 -2.526 -28.296 1.00 0.00 C ATOM 804 O TRP A 51 29.957 -2.316 -29.430 1.00 0.00 O ATOM 805 CB TRP A 51 28.707 -4.327 -27.657 1.00 0.00 C ATOM 806 CG TRP A 51 28.463 -5.757 -27.234 1.00 0.00 C ATOM 807 CD1 TRP A 51 28.127 -6.212 -25.989 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.547 -6.917 -28.071 1.00 0.00 C ATOM 809 NE1 TRP A 51 27.990 -7.574 -26.007 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.245 -8.033 -27.270 1.00 0.00 C ATOM 811 CE3 TRP A 51 28.852 -7.118 -29.422 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.227 -9.329 -27.780 1.00 0.00 C ATOM 813 CZ3 TRP A 51 28.838 -8.401 -29.924 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.527 -9.498 -29.104 1.00 0.00 C ATOM 0 H TRP A 51 29.984 -3.754 -25.532 1.00 0.00 H new ATOM 0 HA TRP A 51 30.784 -4.629 -28.209 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.143 -3.663 -27.002 1.00 0.00 H new ATOM 0 HB3 TRP A 51 28.319 -4.185 -28.666 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.990 -5.588 -25.118 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.738 -8.154 -25.207 1.00 0.00 H new ATOM 0 HE3 TRP A 51 29.094 -6.281 -30.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 27.984 -10.173 -27.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.070 -8.566 -30.966 1.00 0.00 H new ATOM 0 HH2 TRP A 51 28.525 -10.492 -29.526 1.00 0.00 H new ATOM 825 N LYS A 52 31.068 -1.596 -27.564 1.00 0.00 N ATOM 826 CA LYS A 52 31.450 -0.236 -28.046 1.00 0.00 C ATOM 827 C LYS A 52 30.208 0.677 -28.237 1.00 0.00 C ATOM 828 O LYS A 52 30.248 1.676 -28.961 1.00 0.00 O ATOM 829 CB LYS A 52 32.334 -0.304 -29.336 1.00 0.00 C ATOM 830 CG LYS A 52 33.612 -1.174 -29.200 1.00 0.00 C ATOM 831 CD LYS A 52 34.589 -0.690 -28.091 1.00 0.00 C ATOM 832 CE LYS A 52 35.159 0.719 -28.357 1.00 0.00 C ATOM 833 NZ LYS A 52 36.130 1.140 -27.318 1.00 0.00 N ATOM 0 H LYS A 52 31.360 -1.770 -26.602 1.00 0.00 H new ATOM 0 HA LYS A 52 32.062 0.221 -27.268 1.00 0.00 H new ATOM 0 HB2 LYS A 52 31.730 -0.695 -30.154 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.628 0.709 -29.613 1.00 0.00 H new ATOM 0 HG2 LYS A 52 33.319 -2.202 -28.989 1.00 0.00 H new ATOM 0 HG3 LYS A 52 34.137 -1.182 -30.155 1.00 0.00 H new ATOM 0 HD2 LYS A 52 34.070 -0.690 -27.133 1.00 0.00 H new ATOM 0 HD3 LYS A 52 35.413 -1.399 -28.007 1.00 0.00 H new ATOM 0 HE2 LYS A 52 35.645 0.733 -29.332 1.00 0.00 H new ATOM 0 HE3 LYS A 52 34.340 1.438 -28.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 36.485 2.092 -27.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 35.661 1.153 -26.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 36.926 0.471 -27.295 1.00 0.00 H new ATOM 847 N LEU A 53 29.121 0.328 -27.520 1.00 0.00 N ATOM 848 CA LEU A 53 27.851 1.081 -27.499 1.00 0.00 C ATOM 849 C LEU A 53 27.869 2.215 -26.422 1.00 0.00 C ATOM 850 O LEU A 53 26.826 2.820 -26.138 1.00 0.00 O ATOM 851 CB LEU A 53 26.678 0.107 -27.212 1.00 0.00 C ATOM 852 CG LEU A 53 26.654 -1.242 -28.004 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.484 -2.121 -27.543 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.611 -1.033 -29.529 1.00 0.00 C ATOM 0 H LEU A 53 29.101 -0.502 -26.927 1.00 0.00 H new ATOM 0 HA LEU A 53 27.720 1.549 -28.474 1.00 0.00 H new ATOM 0 HB2 LEU A 53 26.687 -0.127 -26.147 1.00 0.00 H new ATOM 0 HB3 LEU A 53 25.745 0.634 -27.415 1.00 0.00 H new ATOM 0 HG LEU A 53 27.590 -1.755 -27.782 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.486 -3.054 -28.106 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.589 -2.339 -26.480 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.545 -1.596 -27.714 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.596 -2.002 -30.029 1.00 0.00 H new ATOM 0 HD22 LEU A 53 25.714 -0.474 -29.794 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.493 -0.476 -29.845 1.00 0.00 H new ATOM 866 N THR A 54 29.053 2.485 -25.827 1.00 0.00 N ATOM 867 CA THR A 54 29.236 3.508 -24.768 1.00 0.00 C ATOM 868 C THR A 54 29.330 4.969 -25.320 1.00 0.00 C ATOM 869 O THR A 54 29.374 5.930 -24.530 1.00 0.00 O ATOM 870 CB THR A 54 30.514 3.152 -23.914 1.00 0.00 C ATOM 871 OG1 THR A 54 30.699 4.080 -22.830 1.00 0.00 O ATOM 872 CG2 THR A 54 31.801 3.101 -24.762 1.00 0.00 C ATOM 0 H THR A 54 29.915 1.997 -26.069 1.00 0.00 H new ATOM 0 HA THR A 54 28.345 3.486 -24.141 1.00 0.00 H new ATOM 0 HB THR A 54 30.332 2.155 -23.512 1.00 0.00 H new ATOM 0 HG1 THR A 54 30.278 4.936 -23.057 1.00 0.00 H new ATOM 0 HG21 THR A 54 32.648 2.852 -24.123 1.00 0.00 H new ATOM 0 HG22 THR A 54 31.696 2.342 -25.537 1.00 0.00 H new ATOM 0 HG23 THR A 54 31.970 4.073 -25.226 1.00 0.00 H new ATOM 880 N GLY A 55 29.339 5.135 -26.661 1.00 0.00 N ATOM 881 CA GLY A 55 29.507 6.469 -27.297 1.00 0.00 C ATOM 882 C GLY A 55 28.182 7.175 -27.597 1.00 0.00 C ATOM 883 O GLY A 55 27.261 7.129 -26.783 1.00 0.00 O ATOM 0 H GLY A 55 29.233 4.368 -27.325 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.106 7.102 -26.642 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.065 6.352 -28.226 1.00 0.00 H new ATOM 887 N THR A 56 28.096 7.863 -28.759 1.00 0.00 N ATOM 888 CA THR A 56 26.826 8.422 -29.274 1.00 0.00 C ATOM 889 C THR A 56 26.213 7.432 -30.282 1.00 0.00 C ATOM 890 O THR A 56 26.886 7.034 -31.242 1.00 0.00 O ATOM 891 CB THR A 56 27.007 9.845 -29.933 1.00 0.00 C ATOM 892 OG1 THR A 56 25.759 10.306 -30.481 1.00 0.00 O ATOM 893 CG2 THR A 56 28.090 9.880 -31.031 1.00 0.00 C ATOM 0 H THR A 56 28.899 8.045 -29.361 1.00 0.00 H new ATOM 0 HA THR A 56 26.154 8.561 -28.427 1.00 0.00 H new ATOM 0 HB THR A 56 27.339 10.507 -29.133 1.00 0.00 H new ATOM 0 HG1 THR A 56 25.886 11.190 -30.885 1.00 0.00 H new ATOM 0 HG21 THR A 56 28.161 10.888 -31.440 1.00 0.00 H new ATOM 0 HG22 THR A 56 29.051 9.594 -30.604 1.00 0.00 H new ATOM 0 HG23 THR A 56 27.825 9.183 -31.826 1.00 0.00 H new ATOM 901 N ASN A 57 24.938 7.040 -30.053 1.00 0.00 N ATOM 902 CA ASN A 57 24.237 5.962 -30.811 1.00 0.00 C ATOM 903 C ASN A 57 24.299 6.140 -32.342 1.00 0.00 C ATOM 904 O ASN A 57 24.182 5.162 -33.068 1.00 0.00 O ATOM 905 CB ASN A 57 22.759 5.831 -30.352 1.00 0.00 C ATOM 906 CG ASN A 57 22.581 5.272 -28.943 1.00 0.00 C ATOM 907 OD1 ASN A 57 23.441 5.430 -28.080 1.00 0.00 O ATOM 908 ND2 ASN A 57 21.464 4.599 -28.703 1.00 0.00 N ATOM 0 H ASN A 57 24.356 7.464 -29.331 1.00 0.00 H new ATOM 0 HA ASN A 57 24.776 5.043 -30.580 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.288 6.813 -30.402 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.229 5.187 -31.054 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.300 4.195 -27.781 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.769 4.485 -29.441 1.00 0.00 H new ATOM 915 N LYS A 58 24.467 7.391 -32.809 1.00 0.00 N ATOM 916 CA LYS A 58 24.595 7.724 -34.245 1.00 0.00 C ATOM 917 C LYS A 58 25.908 7.149 -34.822 1.00 0.00 C ATOM 918 O LYS A 58 25.901 6.369 -35.796 1.00 0.00 O ATOM 919 CB LYS A 58 24.525 9.282 -34.401 1.00 0.00 C ATOM 920 CG LYS A 58 24.447 9.842 -35.852 1.00 0.00 C ATOM 921 CD LYS A 58 25.824 9.967 -36.555 1.00 0.00 C ATOM 922 CE LYS A 58 25.712 10.502 -37.991 1.00 0.00 C ATOM 923 NZ LYS A 58 27.040 10.608 -38.648 1.00 0.00 N ATOM 0 H LYS A 58 24.518 8.207 -32.199 1.00 0.00 H new ATOM 0 HA LYS A 58 23.779 7.273 -34.810 1.00 0.00 H new ATOM 0 HB2 LYS A 58 23.653 9.639 -33.852 1.00 0.00 H new ATOM 0 HB3 LYS A 58 25.403 9.711 -33.919 1.00 0.00 H new ATOM 0 HG2 LYS A 58 23.804 9.193 -36.447 1.00 0.00 H new ATOM 0 HG3 LYS A 58 23.973 10.823 -35.827 1.00 0.00 H new ATOM 0 HD2 LYS A 58 26.465 10.630 -35.974 1.00 0.00 H new ATOM 0 HD3 LYS A 58 26.308 8.991 -36.572 1.00 0.00 H new ATOM 0 HE2 LYS A 58 25.070 9.843 -38.575 1.00 0.00 H new ATOM 0 HE3 LYS A 58 25.235 11.482 -37.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 26.921 10.973 -39.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 27.645 11.257 -38.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 27.485 9.669 -38.685 1.00 0.00 H new ATOM 937 N SER A 59 27.035 7.523 -34.198 1.00 0.00 N ATOM 938 CA SER A 59 28.371 7.113 -34.662 1.00 0.00 C ATOM 939 C SER A 59 28.622 5.629 -34.360 1.00 0.00 C ATOM 940 O SER A 59 29.362 4.955 -35.091 1.00 0.00 O ATOM 941 CB SER A 59 29.448 8.006 -34.031 1.00 0.00 C ATOM 942 OG SER A 59 29.209 9.367 -34.352 1.00 0.00 O ATOM 0 H SER A 59 27.048 8.112 -33.366 1.00 0.00 H new ATOM 0 HA SER A 59 28.420 7.238 -35.744 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.450 7.875 -32.949 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.433 7.708 -34.390 1.00 0.00 H new ATOM 0 HG SER A 59 29.902 9.926 -33.942 1.00 0.00 H new ATOM 948 N ILE A 60 27.959 5.122 -33.302 1.00 0.00 N ATOM 949 CA ILE A 60 27.983 3.698 -32.961 1.00 0.00 C ATOM 950 C ILE A 60 27.308 2.895 -34.084 1.00 0.00 C ATOM 951 O ILE A 60 27.960 2.088 -34.702 1.00 0.00 O ATOM 952 CB ILE A 60 27.266 3.388 -31.603 1.00 0.00 C ATOM 953 CG1 ILE A 60 27.903 4.184 -30.426 1.00 0.00 C ATOM 954 CG2 ILE A 60 27.299 1.873 -31.294 1.00 0.00 C ATOM 955 CD1 ILE A 60 27.067 4.178 -29.156 1.00 0.00 C ATOM 0 H ILE A 60 27.397 5.689 -32.667 1.00 0.00 H new ATOM 0 HA ILE A 60 29.028 3.410 -32.850 1.00 0.00 H new ATOM 0 HB ILE A 60 26.228 3.704 -31.707 1.00 0.00 H new ATOM 0 HG12 ILE A 60 28.885 3.764 -30.205 1.00 0.00 H new ATOM 0 HG13 ILE A 60 28.061 5.216 -30.741 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.795 1.684 -30.346 1.00 0.00 H new ATOM 0 HG22 ILE A 60 26.791 1.328 -32.090 1.00 0.00 H new ATOM 0 HG23 ILE A 60 28.334 1.538 -31.228 1.00 0.00 H new ATOM 0 HD11 ILE A 60 27.576 4.753 -28.382 1.00 0.00 H new ATOM 0 HD12 ILE A 60 26.094 4.625 -29.359 1.00 0.00 H new ATOM 0 HD13 ILE A 60 26.931 3.152 -28.815 1.00 0.00 H new ATOM 967 N ARG A 61 26.012 3.183 -34.372 1.00 0.00 N ATOM 968 CA ARG A 61 25.214 2.415 -35.374 1.00 0.00 C ATOM 969 C ARG A 61 25.863 2.488 -36.778 1.00 0.00 C ATOM 970 O ARG A 61 25.677 1.586 -37.598 1.00 0.00 O ATOM 971 CB ARG A 61 23.735 2.911 -35.413 1.00 0.00 C ATOM 972 CG ARG A 61 23.535 4.308 -36.047 1.00 0.00 C ATOM 973 CD ARG A 61 22.138 4.907 -35.805 1.00 0.00 C ATOM 974 NE ARG A 61 21.967 6.197 -36.524 1.00 0.00 N ATOM 975 CZ ARG A 61 21.407 7.311 -36.029 1.00 0.00 C ATOM 976 NH1 ARG A 61 20.988 7.380 -34.775 1.00 0.00 N ATOM 977 NH2 ARG A 61 21.284 8.375 -36.806 1.00 0.00 N ATOM 0 H ARG A 61 25.494 3.941 -33.927 1.00 0.00 H new ATOM 0 HA ARG A 61 25.207 1.370 -35.064 1.00 0.00 H new ATOM 0 HB2 ARG A 61 23.138 2.187 -35.968 1.00 0.00 H new ATOM 0 HB3 ARG A 61 23.346 2.931 -34.395 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.286 4.989 -35.647 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.709 4.237 -37.121 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.376 4.201 -36.135 1.00 0.00 H new ATOM 0 HD3 ARG A 61 21.987 5.062 -34.737 1.00 0.00 H new ATOM 0 HE ARG A 61 22.308 6.239 -37.485 1.00 0.00 H new ATOM 0 HH11 ARG A 61 21.087 6.573 -34.159 1.00 0.00 H new ATOM 0 HH12 ARG A 61 20.566 8.240 -34.425 1.00 0.00 H new ATOM 0 HH21 ARG A 61 21.613 8.343 -37.771 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.860 9.227 -36.440 1.00 0.00 H new ATOM 991 N LYS A 62 26.634 3.564 -37.034 1.00 0.00 N ATOM 992 CA LYS A 62 27.464 3.683 -38.248 1.00 0.00 C ATOM 993 C LYS A 62 28.597 2.615 -38.229 1.00 0.00 C ATOM 994 O LYS A 62 28.728 1.823 -39.166 1.00 0.00 O ATOM 995 CB LYS A 62 28.027 5.137 -38.385 1.00 0.00 C ATOM 996 CG LYS A 62 28.762 5.457 -39.726 1.00 0.00 C ATOM 997 CD LYS A 62 30.281 5.130 -39.710 1.00 0.00 C ATOM 998 CE LYS A 62 30.917 5.191 -41.112 1.00 0.00 C ATOM 999 NZ LYS A 62 30.693 6.488 -41.794 1.00 0.00 N ATOM 0 H LYS A 62 26.698 4.368 -36.410 1.00 0.00 H new ATOM 0 HA LYS A 62 26.847 3.492 -39.126 1.00 0.00 H new ATOM 0 HB2 LYS A 62 27.201 5.839 -38.269 1.00 0.00 H new ATOM 0 HB3 LYS A 62 28.718 5.318 -37.562 1.00 0.00 H new ATOM 0 HG2 LYS A 62 28.289 4.894 -40.531 1.00 0.00 H new ATOM 0 HG3 LYS A 62 28.631 6.514 -39.956 1.00 0.00 H new ATOM 0 HD2 LYS A 62 30.793 5.833 -39.052 1.00 0.00 H new ATOM 0 HD3 LYS A 62 30.430 4.135 -39.291 1.00 0.00 H new ATOM 0 HE2 LYS A 62 31.989 5.012 -41.027 1.00 0.00 H new ATOM 0 HE3 LYS A 62 30.508 4.389 -41.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 31.200 6.495 -42.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 29.675 6.620 -41.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 31.046 7.261 -41.195 1.00 0.00 H new ATOM 1013 N ASN A 63 29.382 2.584 -37.134 1.00 0.00 N ATOM 1014 CA ASN A 63 30.539 1.645 -36.975 1.00 0.00 C ATOM 1015 C ASN A 63 30.104 0.263 -36.429 1.00 0.00 C ATOM 1016 O ASN A 63 30.946 -0.616 -36.219 1.00 0.00 O ATOM 1017 CB ASN A 63 31.606 2.280 -36.040 1.00 0.00 C ATOM 1018 CG ASN A 63 32.392 3.412 -36.714 1.00 0.00 C ATOM 1019 OD1 ASN A 63 33.469 3.196 -37.266 1.00 0.00 O ATOM 1020 ND2 ASN A 63 31.839 4.613 -36.711 1.00 0.00 N ATOM 0 H ASN A 63 29.244 3.200 -36.333 1.00 0.00 H new ATOM 0 HA ASN A 63 30.966 1.479 -37.964 1.00 0.00 H new ATOM 0 HB2 ASN A 63 31.115 2.667 -35.147 1.00 0.00 H new ATOM 0 HB3 ASN A 63 32.301 1.507 -35.712 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.307 5.391 -37.175 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.944 4.761 -36.244 1.00 0.00 H new ATOM 1027 N ARG A 64 28.790 0.082 -36.206 1.00 0.00 N ATOM 1028 CA ARG A 64 28.222 -1.145 -35.630 1.00 0.00 C ATOM 1029 C ARG A 64 27.024 -1.562 -36.496 1.00 0.00 C ATOM 1030 O ARG A 64 25.922 -1.009 -36.367 1.00 0.00 O ATOM 1031 CB ARG A 64 27.808 -0.912 -34.127 1.00 0.00 C ATOM 1032 CG ARG A 64 28.118 -2.068 -33.143 1.00 0.00 C ATOM 1033 CD ARG A 64 29.591 -2.122 -32.682 1.00 0.00 C ATOM 1034 NE ARG A 64 30.547 -2.393 -33.780 1.00 0.00 N ATOM 1035 CZ ARG A 64 31.867 -2.554 -33.628 1.00 0.00 C ATOM 1036 NH1 ARG A 64 32.419 -2.586 -32.421 1.00 0.00 N ATOM 1037 NH2 ARG A 64 32.628 -2.706 -34.701 1.00 0.00 N ATOM 0 H ARG A 64 28.089 0.790 -36.423 1.00 0.00 H new ATOM 0 HA ARG A 64 28.961 -1.946 -35.627 1.00 0.00 H new ATOM 0 HB2 ARG A 64 28.311 -0.014 -33.769 1.00 0.00 H new ATOM 0 HB3 ARG A 64 26.737 -0.712 -34.094 1.00 0.00 H new ATOM 0 HG2 ARG A 64 27.477 -1.968 -32.267 1.00 0.00 H new ATOM 0 HG3 ARG A 64 27.862 -3.015 -33.618 1.00 0.00 H new ATOM 0 HD2 ARG A 64 29.851 -1.174 -32.211 1.00 0.00 H new ATOM 0 HD3 ARG A 64 29.696 -2.895 -31.921 1.00 0.00 H new ATOM 0 HE ARG A 64 30.170 -2.462 -34.725 1.00 0.00 H new ATOM 0 HH11 ARG A 64 31.835 -2.487 -31.590 1.00 0.00 H new ATOM 0 HH12 ARG A 64 33.427 -2.710 -32.324 1.00 0.00 H new ATOM 0 HH21 ARG A 64 32.207 -2.700 -35.630 1.00 0.00 H new ATOM 0 HH22 ARG A 64 33.635 -2.830 -34.598 1.00 0.00 H new ATOM 1051 N ASN A 65 27.271 -2.500 -37.422 1.00 0.00 N ATOM 1052 CA ASN A 65 26.235 -3.039 -38.333 1.00 0.00 C ATOM 1053 C ASN A 65 25.218 -3.885 -37.565 1.00 0.00 C ATOM 1054 O ASN A 65 25.423 -4.199 -36.382 1.00 0.00 O ATOM 1055 CB ASN A 65 26.867 -3.894 -39.459 1.00 0.00 C ATOM 1056 CG ASN A 65 27.809 -3.106 -40.360 1.00 0.00 C ATOM 1057 OD1 ASN A 65 27.394 -2.530 -41.368 1.00 0.00 O ATOM 1058 ND2 ASN A 65 29.072 -3.057 -39.988 1.00 0.00 N ATOM 0 H ASN A 65 28.194 -2.911 -37.565 1.00 0.00 H new ATOM 0 HA ASN A 65 25.726 -2.186 -38.782 1.00 0.00 H new ATOM 0 HB2 ASN A 65 27.414 -4.724 -39.012 1.00 0.00 H new ATOM 0 HB3 ASN A 65 26.072 -4.326 -40.066 1.00 0.00 H new ATOM 0 HD21 ASN A 65 29.746 -2.528 -40.541 1.00 0.00 H new ATOM 0 HD22 ASN A 65 29.375 -3.548 -39.147 1.00 0.00 H new ATOM 1065 N CYS A 66 24.139 -4.282 -38.272 1.00 0.00 N ATOM 1066 CA CYS A 66 23.066 -5.112 -37.708 1.00 0.00 C ATOM 1067 C CYS A 66 23.642 -6.381 -37.060 1.00 0.00 C ATOM 1068 O CYS A 66 23.294 -6.679 -35.931 1.00 0.00 O ATOM 1069 CB CYS A 66 22.029 -5.463 -38.793 1.00 0.00 C ATOM 1070 SG CYS A 66 22.716 -6.291 -40.240 1.00 0.00 S ATOM 0 H CYS A 66 23.992 -4.033 -39.250 1.00 0.00 H new ATOM 0 HA CYS A 66 22.561 -4.541 -36.929 1.00 0.00 H new ATOM 0 HB2 CYS A 66 21.263 -6.102 -38.353 1.00 0.00 H new ATOM 0 HB3 CYS A 66 21.534 -4.547 -39.115 1.00 0.00 H new ATOM 0 HG CYS A 66 21.764 -6.543 -41.088 1.00 0.00 H new ATOM 1076 N SER A 67 24.611 -7.030 -37.758 1.00 0.00 N ATOM 1077 CA SER A 67 25.284 -8.282 -37.310 1.00 0.00 C ATOM 1078 C SER A 67 25.750 -8.213 -35.837 1.00 0.00 C ATOM 1079 O SER A 67 25.409 -9.087 -35.019 1.00 0.00 O ATOM 1080 CB SER A 67 26.504 -8.569 -38.222 1.00 0.00 C ATOM 1081 OG SER A 67 26.112 -8.676 -39.578 1.00 0.00 O ATOM 0 H SER A 67 24.952 -6.695 -38.659 1.00 0.00 H new ATOM 0 HA SER A 67 24.552 -9.086 -37.383 1.00 0.00 H new ATOM 0 HB2 SER A 67 27.238 -7.771 -38.114 1.00 0.00 H new ATOM 0 HB3 SER A 67 26.989 -9.493 -37.906 1.00 0.00 H new ATOM 0 HG SER A 67 26.900 -8.855 -40.133 1.00 0.00 H new ATOM 1087 N GLN A 68 26.490 -7.139 -35.521 1.00 0.00 N ATOM 1088 CA GLN A 68 27.028 -6.877 -34.170 1.00 0.00 C ATOM 1089 C GLN A 68 25.906 -6.743 -33.131 1.00 0.00 C ATOM 1090 O GLN A 68 26.002 -7.298 -32.040 1.00 0.00 O ATOM 1091 CB GLN A 68 27.897 -5.586 -34.191 1.00 0.00 C ATOM 1092 CG GLN A 68 29.328 -5.756 -34.766 1.00 0.00 C ATOM 1093 CD GLN A 68 30.395 -6.189 -33.736 1.00 0.00 C ATOM 1094 OE1 GLN A 68 30.018 -6.960 -32.713 1.00 0.00 O flip ATOM 1095 NE2 GLN A 68 31.568 -5.830 -33.865 1.00 0.00 N flip ATOM 0 H GLN A 68 26.736 -6.419 -36.200 1.00 0.00 H new ATOM 0 HA GLN A 68 27.645 -7.728 -33.881 1.00 0.00 H new ATOM 0 HB2 GLN A 68 27.377 -4.828 -34.776 1.00 0.00 H new ATOM 0 HB3 GLN A 68 27.976 -5.205 -33.173 1.00 0.00 H new ATOM 0 HG2 GLN A 68 29.297 -6.494 -35.567 1.00 0.00 H new ATOM 0 HG3 GLN A 68 29.638 -4.812 -35.214 1.00 0.00 H new ATOM 0 HE21 GLN A 68 31.837 -5.241 -34.653 1.00 0.00 H new ATOM 0 HE22 GLN A 68 32.269 -6.122 -33.184 1.00 0.00 H new ATOM 1104 N LEU A 69 24.854 -5.998 -33.499 1.00 0.00 N ATOM 1105 CA LEU A 69 23.696 -5.724 -32.625 1.00 0.00 C ATOM 1106 C LEU A 69 22.826 -6.967 -32.378 1.00 0.00 C ATOM 1107 O LEU A 69 22.228 -7.090 -31.305 1.00 0.00 O ATOM 1108 CB LEU A 69 22.838 -4.581 -33.219 1.00 0.00 C ATOM 1109 CG LEU A 69 23.334 -3.133 -32.938 1.00 0.00 C ATOM 1110 CD1 LEU A 69 24.713 -2.856 -33.544 1.00 0.00 C ATOM 1111 CD2 LEU A 69 22.308 -2.115 -33.433 1.00 0.00 C ATOM 0 H LEU A 69 24.779 -5.563 -34.419 1.00 0.00 H new ATOM 0 HA LEU A 69 24.095 -5.420 -31.657 1.00 0.00 H new ATOM 0 HB2 LEU A 69 22.781 -4.720 -34.299 1.00 0.00 H new ATOM 0 HB3 LEU A 69 21.824 -4.677 -32.832 1.00 0.00 H new ATOM 0 HG LEU A 69 23.442 -3.033 -31.858 1.00 0.00 H new ATOM 0 HD11 LEU A 69 25.011 -1.832 -33.318 1.00 0.00 H new ATOM 0 HD12 LEU A 69 25.442 -3.547 -33.121 1.00 0.00 H new ATOM 0 HD13 LEU A 69 24.669 -2.991 -34.625 1.00 0.00 H new ATOM 0 HD21 LEU A 69 22.669 -1.107 -33.230 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.161 -2.238 -34.506 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.361 -2.273 -32.917 1.00 0.00 H new ATOM 1123 N ILE A 70 22.742 -7.869 -33.373 1.00 0.00 N ATOM 1124 CA ILE A 70 21.987 -9.129 -33.236 1.00 0.00 C ATOM 1125 C ILE A 70 22.699 -9.984 -32.192 1.00 0.00 C ATOM 1126 O ILE A 70 22.105 -10.377 -31.199 1.00 0.00 O ATOM 1127 CB ILE A 70 21.899 -9.933 -34.586 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.357 -9.036 -35.735 1.00 0.00 C ATOM 1129 CG2 ILE A 70 21.017 -11.203 -34.421 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.651 -9.554 -37.133 1.00 0.00 C ATOM 0 H ILE A 70 23.188 -7.749 -34.282 1.00 0.00 H new ATOM 0 HA ILE A 70 20.966 -8.889 -32.941 1.00 0.00 H new ATOM 0 HB ILE A 70 22.908 -10.251 -34.850 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.278 -8.932 -35.619 1.00 0.00 H new ATOM 0 HG13 ILE A 70 21.786 -8.039 -35.633 1.00 0.00 H new ATOM 0 HG21 ILE A 70 20.972 -11.741 -35.368 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.449 -11.849 -33.657 1.00 0.00 H new ATOM 0 HG23 ILE A 70 20.010 -10.911 -34.122 1.00 0.00 H new ATOM 0 HD11 ILE A 70 21.237 -8.866 -37.870 1.00 0.00 H new ATOM 0 HD12 ILE A 70 22.729 -9.630 -37.273 1.00 0.00 H new ATOM 0 HD13 ILE A 70 21.198 -10.537 -37.259 1.00 0.00 H new ATOM 1142 N ALA A 71 24.008 -10.187 -32.425 1.00 0.00 N ATOM 1143 CA ALA A 71 24.894 -10.956 -31.537 1.00 0.00 C ATOM 1144 C ALA A 71 24.960 -10.340 -30.126 1.00 0.00 C ATOM 1145 O ALA A 71 25.102 -11.058 -29.141 1.00 0.00 O ATOM 1146 CB ALA A 71 26.293 -11.052 -32.157 1.00 0.00 C ATOM 0 H ALA A 71 24.485 -9.816 -33.247 1.00 0.00 H new ATOM 0 HA ALA A 71 24.482 -11.959 -31.429 1.00 0.00 H new ATOM 0 HB1 ALA A 71 26.946 -11.622 -31.496 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.229 -11.552 -33.123 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.700 -10.050 -32.293 1.00 0.00 H new ATOM 1152 N ALA A 72 24.855 -9.003 -30.056 1.00 0.00 N ATOM 1153 CA ALA A 72 24.816 -8.260 -28.782 1.00 0.00 C ATOM 1154 C ALA A 72 23.534 -8.569 -27.981 1.00 0.00 C ATOM 1155 O ALA A 72 23.608 -8.916 -26.801 1.00 0.00 O ATOM 1156 CB ALA A 72 24.945 -6.753 -29.044 1.00 0.00 C ATOM 0 H ALA A 72 24.795 -8.405 -30.880 1.00 0.00 H new ATOM 0 HA ALA A 72 25.662 -8.586 -28.177 1.00 0.00 H new ATOM 0 HB1 ALA A 72 24.915 -6.215 -28.096 1.00 0.00 H new ATOM 0 HB2 ALA A 72 25.891 -6.551 -29.546 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.121 -6.422 -29.676 1.00 0.00 H new ATOM 1162 N TYR A 73 22.366 -8.470 -28.655 1.00 0.00 N ATOM 1163 CA TYR A 73 21.037 -8.699 -28.035 1.00 0.00 C ATOM 1164 C TYR A 73 20.860 -10.192 -27.660 1.00 0.00 C ATOM 1165 O TYR A 73 20.198 -10.522 -26.664 1.00 0.00 O ATOM 1166 CB TYR A 73 19.908 -8.229 -28.997 1.00 0.00 C ATOM 1167 CG TYR A 73 18.488 -8.266 -28.398 1.00 0.00 C ATOM 1168 CD1 TYR A 73 17.993 -7.197 -27.647 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.641 -9.368 -28.582 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.721 -7.227 -27.107 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.366 -9.399 -28.042 1.00 0.00 C ATOM 1172 CZ TYR A 73 15.913 -8.324 -27.304 1.00 0.00 C ATOM 1173 OH TYR A 73 14.646 -8.348 -26.761 1.00 0.00 O ATOM 0 H TYR A 73 22.316 -8.229 -29.645 1.00 0.00 H new ATOM 0 HA TYR A 73 20.973 -8.113 -27.118 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.125 -7.210 -29.318 1.00 0.00 H new ATOM 0 HB3 TYR A 73 19.927 -8.855 -29.889 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.616 -6.330 -27.485 1.00 0.00 H new ATOM 0 HD2 TYR A 73 17.991 -10.212 -29.158 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.360 -6.389 -26.530 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.731 -10.258 -28.197 1.00 0.00 H new ATOM 0 HH TYR A 73 14.109 -9.032 -27.213 1.00 0.00 H new ATOM 1183 N LYS A 74 21.474 -11.081 -28.475 1.00 0.00 N ATOM 1184 CA LYS A 74 21.489 -12.535 -28.230 1.00 0.00 C ATOM 1185 C LYS A 74 22.283 -12.812 -26.946 1.00 0.00 C ATOM 1186 O LYS A 74 21.715 -13.263 -25.963 1.00 0.00 O ATOM 1187 CB LYS A 74 22.110 -13.298 -29.441 1.00 0.00 C ATOM 1188 CG LYS A 74 21.230 -13.316 -30.706 1.00 0.00 C ATOM 1189 CD LYS A 74 21.936 -13.863 -31.980 1.00 0.00 C ATOM 1190 CE LYS A 74 22.215 -15.385 -31.976 1.00 0.00 C ATOM 1191 NZ LYS A 74 23.331 -15.773 -31.073 1.00 0.00 N ATOM 0 H LYS A 74 21.973 -10.806 -29.321 1.00 0.00 H new ATOM 0 HA LYS A 74 20.466 -12.893 -28.111 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.069 -12.843 -29.688 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.313 -14.326 -29.141 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.346 -13.922 -30.509 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.884 -12.302 -30.906 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.321 -13.625 -32.848 1.00 0.00 H new ATOM 0 HD3 LYS A 74 22.882 -13.337 -32.106 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.311 -15.913 -31.673 1.00 0.00 H new ATOM 0 HE3 LYS A 74 22.448 -15.708 -32.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 23.897 -16.521 -31.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.934 -14.945 -30.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.944 -16.124 -30.174 1.00 0.00 H new ATOM 1205 N ASP A 75 23.569 -12.408 -26.941 1.00 0.00 N ATOM 1206 CA ASP A 75 24.486 -12.557 -25.779 1.00 0.00 C ATOM 1207 C ASP A 75 23.930 -11.887 -24.516 1.00 0.00 C ATOM 1208 O ASP A 75 24.271 -12.290 -23.420 1.00 0.00 O ATOM 1209 CB ASP A 75 25.897 -11.969 -26.108 1.00 0.00 C ATOM 1210 CG ASP A 75 26.812 -12.932 -26.894 1.00 0.00 C ATOM 1211 OD1 ASP A 75 26.329 -13.620 -27.822 1.00 0.00 O ATOM 1212 OD2 ASP A 75 28.021 -13.032 -26.558 1.00 0.00 O ATOM 0 H ASP A 75 24.010 -11.965 -27.747 1.00 0.00 H new ATOM 0 HA ASP A 75 24.575 -13.625 -25.582 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.772 -11.052 -26.684 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.391 -11.695 -25.176 1.00 0.00 H new ATOM 1217 N PHE A 76 23.098 -10.868 -24.700 1.00 0.00 N ATOM 1218 CA PHE A 76 22.427 -10.142 -23.605 1.00 0.00 C ATOM 1219 C PHE A 76 21.380 -11.047 -22.914 1.00 0.00 C ATOM 1220 O PHE A 76 21.462 -11.340 -21.700 1.00 0.00 O ATOM 1221 CB PHE A 76 21.764 -8.875 -24.215 1.00 0.00 C ATOM 1222 CG PHE A 76 21.314 -7.803 -23.236 1.00 0.00 C ATOM 1223 CD1 PHE A 76 22.041 -7.530 -22.082 1.00 0.00 C ATOM 1224 CD2 PHE A 76 20.185 -7.029 -23.499 1.00 0.00 C ATOM 1225 CE1 PHE A 76 21.653 -6.530 -21.227 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.796 -6.027 -22.635 1.00 0.00 C ATOM 1227 CZ PHE A 76 20.532 -5.774 -21.502 1.00 0.00 C ATOM 0 H PHE A 76 22.861 -10.510 -25.625 1.00 0.00 H new ATOM 0 HA PHE A 76 23.147 -9.851 -22.841 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.469 -8.424 -24.913 1.00 0.00 H new ATOM 0 HB3 PHE A 76 20.898 -9.190 -24.796 1.00 0.00 H new ATOM 0 HD1 PHE A 76 22.922 -8.113 -21.856 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.607 -7.217 -24.392 1.00 0.00 H new ATOM 0 HE1 PHE A 76 22.228 -6.333 -20.334 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.914 -5.442 -22.848 1.00 0.00 H new ATOM 0 HZ PHE A 76 20.233 -4.985 -20.828 1.00 0.00 H new ATOM 1237 N CYS A 77 20.418 -11.521 -23.721 1.00 0.00 N ATOM 1238 CA CYS A 77 19.291 -12.341 -23.242 1.00 0.00 C ATOM 1239 C CYS A 77 19.760 -13.751 -22.807 1.00 0.00 C ATOM 1240 O CYS A 77 19.130 -14.393 -21.957 1.00 0.00 O ATOM 1241 CB CYS A 77 18.203 -12.427 -24.330 1.00 0.00 C ATOM 1242 SG CYS A 77 16.666 -13.192 -23.771 1.00 0.00 S ATOM 0 H CYS A 77 20.398 -11.347 -24.726 1.00 0.00 H new ATOM 0 HA CYS A 77 18.866 -11.859 -22.361 1.00 0.00 H new ATOM 0 HB2 CYS A 77 17.986 -11.422 -24.693 1.00 0.00 H new ATOM 0 HB3 CYS A 77 18.593 -12.994 -25.175 1.00 0.00 H new ATOM 0 HG CYS A 77 15.813 -13.218 -24.751 1.00 0.00 H new ATOM 1248 N GLU A 78 20.887 -14.206 -23.383 1.00 0.00 N ATOM 1249 CA GLU A 78 21.509 -15.508 -23.067 1.00 0.00 C ATOM 1250 C GLU A 78 22.453 -15.385 -21.858 1.00 0.00 C ATOM 1251 O GLU A 78 22.715 -16.376 -21.168 1.00 0.00 O ATOM 1252 CB GLU A 78 22.272 -16.049 -24.300 1.00 0.00 C ATOM 1253 CG GLU A 78 21.392 -16.277 -25.547 1.00 0.00 C ATOM 1254 CD GLU A 78 20.298 -17.343 -25.353 1.00 0.00 C ATOM 1255 OE1 GLU A 78 20.593 -18.546 -25.511 1.00 0.00 O ATOM 1256 OE2 GLU A 78 19.136 -16.984 -25.045 1.00 0.00 O ATOM 0 H GLU A 78 21.398 -13.676 -24.089 1.00 0.00 H new ATOM 0 HA GLU A 78 20.719 -16.213 -22.808 1.00 0.00 H new ATOM 0 HB2 GLU A 78 23.068 -15.349 -24.555 1.00 0.00 H new ATOM 0 HB3 GLU A 78 22.750 -16.991 -24.031 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.921 -15.334 -25.825 1.00 0.00 H new ATOM 0 HG3 GLU A 78 22.030 -16.572 -26.380 1.00 0.00 H new ATOM 1263 N HIS A 79 22.977 -14.164 -21.619 1.00 0.00 N ATOM 1264 CA HIS A 79 23.688 -13.838 -20.355 1.00 0.00 C ATOM 1265 C HIS A 79 22.688 -13.852 -19.186 1.00 0.00 C ATOM 1266 O HIS A 79 23.068 -14.098 -18.036 1.00 0.00 O ATOM 1267 CB HIS A 79 24.394 -12.457 -20.427 1.00 0.00 C ATOM 1268 CG HIS A 79 25.321 -12.155 -19.272 1.00 0.00 C ATOM 1269 ND1 HIS A 79 26.639 -12.558 -19.249 1.00 0.00 N ATOM 1270 CD2 HIS A 79 25.115 -11.499 -18.101 1.00 0.00 C ATOM 1271 CE1 HIS A 79 27.200 -12.167 -18.121 1.00 0.00 C ATOM 1272 NE2 HIS A 79 26.300 -11.525 -17.406 1.00 0.00 N ATOM 0 H HIS A 79 22.924 -13.388 -22.279 1.00 0.00 H new ATOM 0 HA HIS A 79 24.458 -14.594 -20.199 1.00 0.00 H new ATOM 0 HB2 HIS A 79 24.964 -12.405 -21.355 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.633 -11.678 -20.476 1.00 0.00 H new ATOM 0 HD2 HIS A 79 24.192 -11.042 -17.776 1.00 0.00 H new ATOM 0 HE1 HIS A 79 28.226 -12.344 -17.832 1.00 0.00 H new ATOM 0 HE2 HIS A 79 26.457 -11.114 -16.486 1.00 0.00 H new ATOM 1281 N GLY A 80 21.409 -13.562 -19.494 1.00 0.00 N ATOM 1282 CA GLY A 80 20.361 -13.571 -18.472 1.00 0.00 C ATOM 1283 C GLY A 80 20.039 -12.168 -18.021 1.00 0.00 C ATOM 1284 O GLY A 80 19.988 -11.906 -16.814 1.00 0.00 O ATOM 0 H GLY A 80 21.086 -13.322 -20.431 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.463 -14.045 -18.870 1.00 0.00 H new ATOM 0 HA3 GLY A 80 20.685 -14.167 -17.618 1.00 0.00 H new