USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=20 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= -0.336 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 33 ASN : amide:sc= -0.048 K(o=0.3,f=-1.6!) USER MOD Set 2.2: A 37 THR OG1 : rot 76:sc= 1.14 USER MOD Set 2.3: A 57 ASN : amide:sc= -0.789 K(o=0.3,f=-3.7!) USER MOD Set 3.1: A 13 MET CE :methyl -142:sc= 0 (180deg=-0.13) USER MOD Set 3.2: A 41 LYS NZ :NH3+ -132:sc= -0.774 (180deg=-2.98!) USER MOD Single : A 15 CYS SG : rot 42:sc= -0.12 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= -0.0111 X(o=-0.011,f=-0.23) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -77:sc= 1.52 USER MOD Single : A 32 LYS NZ :NH3+ 161:sc= 0.822 (180deg=0.589) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= -0.958 F(o=-2.8!,f=-0.96) USER MOD Single : A 42 ASN : amide:sc= 0.783 K(o=0.78,f=0) USER MOD Single : A 50 HIS : no HE2:sc= 0.67 K(o=0.67,f=-2.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -17:sc= 0.202 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc=-0.00284 F(o=-1.9,f=-0.0028) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.563 K(o=-0.56,f=-4.6!) USER MOD Single : A 73 TYR OH : rot 160:sc= 0.656 USER MOD Single : A 74 LYS NZ :NH3+ 174:sc= -2.11 (180deg=-2.31) USER MOD Single : A 77 CYS SG : rot 142:sc= 0.635 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD ----------------------------------------------------------------- ATOM 194 N MET A 13 9.601 -1.523 -22.670 1.00 0.00 N ATOM 195 CA MET A 13 9.417 -1.527 -24.135 1.00 0.00 C ATOM 196 C MET A 13 10.667 -2.122 -24.784 1.00 0.00 C ATOM 197 O MET A 13 11.741 -2.110 -24.178 1.00 0.00 O ATOM 198 CB MET A 13 9.127 -0.089 -24.692 1.00 0.00 C ATOM 199 CG MET A 13 10.354 0.769 -25.051 1.00 0.00 C ATOM 200 SD MET A 13 11.465 1.055 -23.660 1.00 0.00 S ATOM 201 CE MET A 13 12.888 1.750 -24.502 1.00 0.00 C ATOM 0 HA MET A 13 8.547 -2.136 -24.379 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.507 -0.187 -25.583 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.538 0.451 -23.951 1.00 0.00 H new ATOM 0 HG2 MET A 13 10.907 0.280 -25.853 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.015 1.730 -25.438 1.00 0.00 H new ATOM 0 HE1 MET A 13 13.802 1.381 -24.037 1.00 0.00 H new ATOM 0 HE2 MET A 13 12.870 1.455 -25.551 1.00 0.00 H new ATOM 0 HE3 MET A 13 12.858 2.837 -24.431 1.00 0.00 H new ATOM 211 N GLY A 14 10.515 -2.639 -26.006 1.00 0.00 N ATOM 212 CA GLY A 14 11.646 -3.143 -26.779 1.00 0.00 C ATOM 213 C GLY A 14 12.094 -4.539 -26.391 1.00 0.00 C ATOM 214 O GLY A 14 13.248 -4.916 -26.617 1.00 0.00 O ATOM 0 H GLY A 14 9.615 -2.718 -26.480 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.379 -3.140 -27.836 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.486 -2.458 -26.661 1.00 0.00 H new ATOM 218 N CYS A 15 11.196 -5.311 -25.788 1.00 0.00 N ATOM 219 CA CYS A 15 11.448 -6.721 -25.475 1.00 0.00 C ATOM 220 C CYS A 15 11.044 -7.595 -26.688 1.00 0.00 C ATOM 221 O CYS A 15 9.944 -8.167 -26.728 1.00 0.00 O ATOM 222 CB CYS A 15 10.691 -7.099 -24.179 1.00 0.00 C ATOM 223 SG CYS A 15 8.908 -6.806 -24.239 1.00 0.00 S ATOM 0 H CYS A 15 10.274 -4.982 -25.501 1.00 0.00 H new ATOM 0 HA CYS A 15 12.508 -6.897 -25.292 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.866 -8.153 -23.966 1.00 0.00 H new ATOM 0 HB3 CYS A 15 11.112 -6.532 -23.349 1.00 0.00 H new ATOM 0 HG CYS A 15 8.447 -7.172 -25.398 1.00 0.00 H new ATOM 229 N TRP A 16 11.926 -7.626 -27.714 1.00 0.00 N ATOM 230 CA TRP A 16 11.667 -8.337 -28.992 1.00 0.00 C ATOM 231 C TRP A 16 12.188 -9.784 -28.915 1.00 0.00 C ATOM 232 O TRP A 16 12.852 -10.170 -27.942 1.00 0.00 O ATOM 233 CB TRP A 16 12.376 -7.623 -30.190 1.00 0.00 C ATOM 234 CG TRP A 16 12.272 -6.112 -30.197 1.00 0.00 C ATOM 235 CD1 TRP A 16 11.191 -5.344 -30.540 1.00 0.00 C ATOM 236 CD2 TRP A 16 13.314 -5.196 -29.847 1.00 0.00 C ATOM 237 NE1 TRP A 16 11.503 -4.014 -30.410 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.799 -3.902 -29.977 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.631 -5.355 -29.413 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.560 -2.772 -29.699 1.00 0.00 C ATOM 241 CZ3 TRP A 16 15.383 -4.235 -29.137 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.846 -2.956 -29.272 1.00 0.00 C ATOM 0 H TRP A 16 12.834 -7.162 -27.682 1.00 0.00 H new ATOM 0 HA TRP A 16 10.589 -8.332 -29.154 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.431 -7.898 -30.183 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.954 -8.004 -31.120 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.235 -5.728 -30.865 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.873 -3.235 -30.604 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.054 -6.342 -29.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 13.148 -1.780 -29.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.406 -4.350 -28.810 1.00 0.00 H new ATOM 0 HH2 TRP A 16 15.455 -2.096 -29.036 1.00 0.00 H new ATOM 253 N SER A 17 11.881 -10.575 -29.957 1.00 0.00 N ATOM 254 CA SER A 17 12.561 -11.852 -30.219 1.00 0.00 C ATOM 255 C SER A 17 13.846 -11.586 -31.024 1.00 0.00 C ATOM 256 O SER A 17 13.950 -10.560 -31.712 1.00 0.00 O ATOM 257 CB SER A 17 11.632 -12.814 -30.987 1.00 0.00 C ATOM 258 OG SER A 17 10.425 -13.039 -30.275 1.00 0.00 O ATOM 0 H SER A 17 11.157 -10.347 -30.638 1.00 0.00 H new ATOM 0 HA SER A 17 12.820 -12.322 -29.270 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.406 -12.399 -31.969 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.143 -13.763 -31.152 1.00 0.00 H new ATOM 0 HG SER A 17 9.854 -13.651 -30.785 1.00 0.00 H new ATOM 264 N ILE A 18 14.801 -12.526 -30.951 1.00 0.00 N ATOM 265 CA ILE A 18 16.111 -12.408 -31.627 1.00 0.00 C ATOM 266 C ILE A 18 15.945 -12.254 -33.156 1.00 0.00 C ATOM 267 O ILE A 18 16.632 -11.447 -33.792 1.00 0.00 O ATOM 268 CB ILE A 18 17.016 -13.662 -31.328 1.00 0.00 C ATOM 269 CG1 ILE A 18 17.239 -13.862 -29.792 1.00 0.00 C ATOM 270 CG2 ILE A 18 18.360 -13.588 -32.095 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.913 -12.713 -29.074 1.00 0.00 C ATOM 0 H ILE A 18 14.691 -13.391 -30.422 1.00 0.00 H new ATOM 0 HA ILE A 18 16.593 -11.514 -31.233 1.00 0.00 H new ATOM 0 HB ILE A 18 16.482 -14.540 -31.692 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.272 -14.043 -29.323 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.838 -14.761 -29.644 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.959 -14.469 -31.865 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.166 -13.551 -33.167 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.902 -12.692 -31.793 1.00 0.00 H new ATOM 0 HD11 ILE A 18 18.018 -12.956 -28.017 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.899 -12.542 -29.507 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.308 -11.812 -29.181 1.00 0.00 H new ATOM 283 N GLU A 19 15.011 -13.035 -33.720 1.00 0.00 N ATOM 284 CA GLU A 19 14.719 -13.022 -35.158 1.00 0.00 C ATOM 285 C GLU A 19 14.064 -11.698 -35.590 1.00 0.00 C ATOM 286 O GLU A 19 14.344 -11.201 -36.682 1.00 0.00 O ATOM 287 CB GLU A 19 13.858 -14.244 -35.543 1.00 0.00 C ATOM 288 CG GLU A 19 14.616 -15.582 -35.497 1.00 0.00 C ATOM 289 CD GLU A 19 13.764 -16.775 -35.965 1.00 0.00 C ATOM 290 OE1 GLU A 19 13.714 -17.040 -37.187 1.00 0.00 O ATOM 291 OE2 GLU A 19 13.123 -17.439 -35.119 1.00 0.00 O ATOM 0 H GLU A 19 14.438 -13.692 -33.191 1.00 0.00 H new ATOM 0 HA GLU A 19 15.662 -13.094 -35.699 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.002 -14.299 -34.870 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.464 -14.096 -36.548 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.505 -15.511 -36.123 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.957 -15.765 -34.478 1.00 0.00 H new ATOM 298 N HIS A 20 13.224 -11.102 -34.714 1.00 0.00 N ATOM 299 CA HIS A 20 12.649 -9.763 -34.971 1.00 0.00 C ATOM 300 C HIS A 20 13.776 -8.720 -35.049 1.00 0.00 C ATOM 301 O HIS A 20 13.740 -7.825 -35.887 1.00 0.00 O ATOM 302 CB HIS A 20 11.618 -9.346 -33.891 1.00 0.00 C ATOM 303 CG HIS A 20 10.951 -8.015 -34.173 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.773 -7.903 -34.878 1.00 0.00 N ATOM 305 CD2 HIS A 20 11.305 -6.742 -33.847 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.435 -6.634 -34.980 1.00 0.00 C ATOM 307 NE2 HIS A 20 10.343 -5.904 -34.363 1.00 0.00 N ATOM 0 H HIS A 20 12.932 -11.522 -33.832 1.00 0.00 H new ATOM 0 HA HIS A 20 12.119 -9.812 -35.922 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.852 -10.118 -33.814 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.118 -9.295 -32.924 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.179 -6.444 -33.287 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.559 -6.254 -35.485 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.334 -4.887 -34.282 1.00 0.00 H new ATOM 316 N VAL A 21 14.773 -8.863 -34.169 1.00 0.00 N ATOM 317 CA VAL A 21 15.927 -7.962 -34.124 1.00 0.00 C ATOM 318 C VAL A 21 16.706 -8.021 -35.448 1.00 0.00 C ATOM 319 O VAL A 21 16.818 -7.014 -36.134 1.00 0.00 O ATOM 320 CB VAL A 21 16.848 -8.285 -32.891 1.00 0.00 C ATOM 321 CG1 VAL A 21 18.180 -7.496 -32.921 1.00 0.00 C ATOM 322 CG2 VAL A 21 16.079 -8.012 -31.580 1.00 0.00 C ATOM 0 H VAL A 21 14.802 -9.605 -33.470 1.00 0.00 H new ATOM 0 HA VAL A 21 15.565 -6.942 -33.996 1.00 0.00 H new ATOM 0 HB VAL A 21 17.113 -9.341 -32.945 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.777 -7.757 -32.047 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.732 -7.748 -33.826 1.00 0.00 H new ATOM 0 HG13 VAL A 21 17.970 -6.427 -32.911 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.721 -8.237 -30.728 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.782 -6.964 -31.544 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.190 -8.642 -31.541 1.00 0.00 H new ATOM 332 N GLU A 22 17.147 -9.228 -35.838 1.00 0.00 N ATOM 333 CA GLU A 22 18.019 -9.407 -37.017 1.00 0.00 C ATOM 334 C GLU A 22 17.328 -9.033 -38.339 1.00 0.00 C ATOM 335 O GLU A 22 17.969 -8.479 -39.241 1.00 0.00 O ATOM 336 CB GLU A 22 18.576 -10.848 -37.090 1.00 0.00 C ATOM 337 CG GLU A 22 17.538 -11.973 -37.230 1.00 0.00 C ATOM 338 CD GLU A 22 18.168 -13.334 -37.558 1.00 0.00 C ATOM 339 OE1 GLU A 22 18.685 -14.003 -36.638 1.00 0.00 O ATOM 340 OE2 GLU A 22 18.162 -13.737 -38.744 1.00 0.00 O ATOM 0 H GLU A 22 16.915 -10.096 -35.356 1.00 0.00 H new ATOM 0 HA GLU A 22 18.849 -8.714 -36.884 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.261 -10.908 -37.936 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.163 -11.034 -36.191 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.972 -12.055 -36.302 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.828 -11.709 -38.014 1.00 0.00 H new ATOM 347 N GLN A 23 16.024 -9.328 -38.444 1.00 0.00 N ATOM 348 CA GLN A 23 15.260 -9.076 -39.676 1.00 0.00 C ATOM 349 C GLN A 23 14.814 -7.605 -39.771 1.00 0.00 C ATOM 350 O GLN A 23 14.770 -7.043 -40.867 1.00 0.00 O ATOM 351 CB GLN A 23 14.044 -10.034 -39.760 1.00 0.00 C ATOM 352 CG GLN A 23 14.413 -11.541 -39.814 1.00 0.00 C ATOM 353 CD GLN A 23 15.252 -11.940 -41.039 1.00 0.00 C ATOM 354 OE1 GLN A 23 15.117 -11.362 -42.119 1.00 0.00 O ATOM 355 NE2 GLN A 23 16.134 -12.923 -40.885 1.00 0.00 N ATOM 0 H GLN A 23 15.475 -9.742 -37.690 1.00 0.00 H new ATOM 0 HA GLN A 23 15.914 -9.272 -40.526 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.401 -9.861 -38.897 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.461 -9.784 -40.646 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.963 -11.802 -38.910 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.495 -12.129 -39.809 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.228 -13.387 -39.981 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.717 -13.213 -41.670 1.00 0.00 H new ATOM 364 N TYR A 24 14.502 -6.973 -38.620 1.00 0.00 N ATOM 365 CA TYR A 24 13.958 -5.591 -38.590 1.00 0.00 C ATOM 366 C TYR A 24 15.013 -4.539 -38.213 1.00 0.00 C ATOM 367 O TYR A 24 14.676 -3.365 -38.160 1.00 0.00 O ATOM 368 CB TYR A 24 12.734 -5.487 -37.638 1.00 0.00 C ATOM 369 CG TYR A 24 11.486 -6.227 -38.151 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.404 -7.614 -38.091 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.400 -5.542 -38.701 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.289 -8.289 -38.545 1.00 0.00 C ATOM 373 CE2 TYR A 24 9.278 -6.214 -39.154 1.00 0.00 C ATOM 374 CZ TYR A 24 9.230 -7.589 -39.074 1.00 0.00 C ATOM 375 OH TYR A 24 8.115 -8.269 -39.523 1.00 0.00 O ATOM 0 H TYR A 24 14.616 -7.394 -37.698 1.00 0.00 H new ATOM 0 HA TYR A 24 13.636 -5.374 -39.608 1.00 0.00 H new ATOM 0 HB2 TYR A 24 13.008 -5.889 -36.663 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.487 -4.435 -37.491 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.231 -8.175 -37.680 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.437 -4.465 -38.774 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.248 -9.367 -38.485 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.445 -5.664 -39.568 1.00 0.00 H new ATOM 0 HH TYR A 24 7.457 -7.629 -39.866 1.00 0.00 H new ATOM 385 N LEU A 25 16.271 -4.939 -37.950 1.00 0.00 N ATOM 386 CA LEU A 25 17.354 -3.975 -37.644 1.00 0.00 C ATOM 387 C LEU A 25 17.606 -3.021 -38.834 1.00 0.00 C ATOM 388 O LEU A 25 17.870 -3.468 -39.956 1.00 0.00 O ATOM 389 CB LEU A 25 18.671 -4.708 -37.199 1.00 0.00 C ATOM 390 CG LEU A 25 18.972 -4.652 -35.670 1.00 0.00 C ATOM 391 CD1 LEU A 25 20.253 -5.415 -35.320 1.00 0.00 C ATOM 392 CD2 LEU A 25 19.044 -3.198 -35.173 1.00 0.00 C ATOM 0 H LEU A 25 16.565 -5.916 -37.942 1.00 0.00 H new ATOM 0 HA LEU A 25 17.025 -3.367 -36.801 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.608 -5.753 -37.504 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.512 -4.269 -37.736 1.00 0.00 H new ATOM 0 HG LEU A 25 18.146 -5.144 -35.157 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.431 -5.354 -34.246 1.00 0.00 H new ATOM 0 HD12 LEU A 25 20.145 -6.460 -35.611 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.096 -4.975 -35.853 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.255 -3.189 -34.104 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.837 -2.671 -35.704 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.091 -2.702 -35.359 1.00 0.00 H new ATOM 404 N GLY A 26 17.486 -1.706 -38.560 1.00 0.00 N ATOM 405 CA GLY A 26 17.705 -0.656 -39.556 1.00 0.00 C ATOM 406 C GLY A 26 16.431 -0.217 -40.282 1.00 0.00 C ATOM 407 O GLY A 26 16.515 0.527 -41.269 1.00 0.00 O ATOM 0 H GLY A 26 17.234 -1.349 -37.638 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.149 0.210 -39.065 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.427 -1.011 -40.291 1.00 0.00 H new ATOM 411 N THR A 27 15.250 -0.659 -39.795 1.00 0.00 N ATOM 412 CA THR A 27 13.942 -0.283 -40.387 1.00 0.00 C ATOM 413 C THR A 27 13.267 0.833 -39.554 1.00 0.00 C ATOM 414 O THR A 27 13.900 1.433 -38.681 1.00 0.00 O ATOM 415 CB THR A 27 12.984 -1.525 -40.504 1.00 0.00 C ATOM 416 OG1 THR A 27 12.585 -1.987 -39.199 1.00 0.00 O ATOM 417 CG2 THR A 27 13.627 -2.687 -41.294 1.00 0.00 C ATOM 0 H THR A 27 15.174 -1.280 -38.989 1.00 0.00 H new ATOM 0 HA THR A 27 14.133 0.092 -41.392 1.00 0.00 H new ATOM 0 HB THR A 27 12.104 -1.192 -41.055 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.319 -2.493 -38.792 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.928 -3.521 -41.348 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.870 -2.351 -42.302 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.538 -3.009 -40.790 1.00 0.00 H new ATOM 425 N ASP A 28 11.995 1.141 -39.876 1.00 0.00 N ATOM 426 CA ASP A 28 11.153 2.060 -39.070 1.00 0.00 C ATOM 427 C ASP A 28 10.579 1.331 -37.841 1.00 0.00 C ATOM 428 O ASP A 28 10.305 1.957 -36.808 1.00 0.00 O ATOM 429 CB ASP A 28 10.007 2.639 -39.934 1.00 0.00 C ATOM 430 CG ASP A 28 10.519 3.509 -41.094 1.00 0.00 C ATOM 431 OD1 ASP A 28 10.731 4.726 -40.895 1.00 0.00 O ATOM 432 OD2 ASP A 28 10.746 2.977 -42.203 1.00 0.00 O ATOM 0 H ASP A 28 11.520 0.764 -40.697 1.00 0.00 H new ATOM 0 HA ASP A 28 11.778 2.883 -38.723 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.411 1.820 -40.336 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.347 3.234 -39.303 1.00 0.00 H new ATOM 437 N GLU A 29 10.402 0.002 -37.981 1.00 0.00 N ATOM 438 CA GLU A 29 9.930 -0.877 -36.892 1.00 0.00 C ATOM 439 C GLU A 29 10.996 -0.979 -35.798 1.00 0.00 C ATOM 440 O GLU A 29 10.696 -0.907 -34.602 1.00 0.00 O ATOM 441 CB GLU A 29 9.613 -2.291 -37.440 1.00 0.00 C ATOM 442 CG GLU A 29 8.471 -2.339 -38.473 1.00 0.00 C ATOM 443 CD GLU A 29 7.110 -1.947 -37.881 1.00 0.00 C ATOM 444 OE1 GLU A 29 6.523 -2.765 -37.138 1.00 0.00 O ATOM 445 OE2 GLU A 29 6.619 -0.827 -38.146 1.00 0.00 O ATOM 0 H GLU A 29 10.583 -0.493 -38.854 1.00 0.00 H new ATOM 0 HA GLU A 29 9.022 -0.447 -36.470 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.515 -2.700 -37.896 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.356 -2.941 -36.604 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.708 -1.669 -39.300 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.405 -3.345 -38.887 1.00 0.00 H new ATOM 452 N LEU A 30 12.249 -1.156 -36.242 1.00 0.00 N ATOM 453 CA LEU A 30 13.414 -1.214 -35.366 1.00 0.00 C ATOM 454 C LEU A 30 14.616 -0.546 -36.062 1.00 0.00 C ATOM 455 O LEU A 30 15.296 -1.175 -36.868 1.00 0.00 O ATOM 456 CB LEU A 30 13.736 -2.683 -34.958 1.00 0.00 C ATOM 457 CG LEU A 30 15.022 -2.886 -34.093 1.00 0.00 C ATOM 458 CD1 LEU A 30 14.986 -2.004 -32.836 1.00 0.00 C ATOM 459 CD2 LEU A 30 15.223 -4.369 -33.722 1.00 0.00 C ATOM 0 H LEU A 30 12.478 -1.263 -37.230 1.00 0.00 H new ATOM 0 HA LEU A 30 13.196 -0.668 -34.448 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.884 -3.081 -34.407 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.835 -3.278 -35.866 1.00 0.00 H new ATOM 0 HG LEU A 30 15.876 -2.578 -34.696 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.892 -2.165 -32.252 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.924 -0.956 -33.129 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.116 -2.264 -32.234 1.00 0.00 H new ATOM 0 HD21 LEU A 30 16.126 -4.474 -33.121 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.364 -4.721 -33.151 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.322 -4.961 -34.632 1.00 0.00 H new ATOM 471 N PRO A 31 14.856 0.771 -35.810 1.00 0.00 N ATOM 472 CA PRO A 31 16.142 1.406 -36.146 1.00 0.00 C ATOM 473 C PRO A 31 17.294 0.754 -35.361 1.00 0.00 C ATOM 474 O PRO A 31 17.088 0.240 -34.249 1.00 0.00 O ATOM 475 CB PRO A 31 15.949 2.895 -35.731 1.00 0.00 C ATOM 476 CG PRO A 31 14.461 3.083 -35.662 1.00 0.00 C ATOM 477 CD PRO A 31 13.892 1.745 -35.243 1.00 0.00 C ATOM 0 HA PRO A 31 16.402 1.300 -37.199 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.419 3.102 -34.770 1.00 0.00 H new ATOM 0 HB3 PRO A 31 16.400 3.570 -36.458 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.199 3.861 -34.945 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.061 3.392 -36.628 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.824 1.659 -34.159 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.888 1.593 -35.638 1.00 0.00 H new ATOM 485 N LYS A 32 18.502 0.790 -35.939 1.00 0.00 N ATOM 486 CA LYS A 32 19.734 0.355 -35.255 1.00 0.00 C ATOM 487 C LYS A 32 19.922 1.154 -33.951 1.00 0.00 C ATOM 488 O LYS A 32 20.354 0.604 -32.930 1.00 0.00 O ATOM 489 CB LYS A 32 20.949 0.529 -36.199 1.00 0.00 C ATOM 490 CG LYS A 32 20.921 -0.371 -37.455 1.00 0.00 C ATOM 491 CD LYS A 32 22.140 -0.152 -38.385 1.00 0.00 C ATOM 492 CE LYS A 32 22.194 1.266 -38.988 1.00 0.00 C ATOM 493 NZ LYS A 32 23.374 1.461 -39.875 1.00 0.00 N ATOM 0 H LYS A 32 18.656 1.120 -36.892 1.00 0.00 H new ATOM 0 HA LYS A 32 19.653 -0.701 -34.996 1.00 0.00 H new ATOM 0 HB2 LYS A 32 21.000 1.571 -36.516 1.00 0.00 H new ATOM 0 HB3 LYS A 32 21.861 0.321 -35.639 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.890 -1.416 -37.146 1.00 0.00 H new ATOM 0 HG3 LYS A 32 20.005 -0.177 -38.014 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.056 -0.337 -37.823 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.109 -0.883 -39.193 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.282 1.452 -39.555 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.223 2.000 -38.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.210 2.279 -40.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.220 1.631 -39.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 23.517 0.609 -40.454 1.00 0.00 H new ATOM 507 N ASN A 33 19.500 2.435 -34.005 1.00 0.00 N ATOM 508 CA ASN A 33 19.543 3.353 -32.859 1.00 0.00 C ATOM 509 C ASN A 33 18.745 2.781 -31.679 1.00 0.00 C ATOM 510 O ASN A 33 19.264 2.674 -30.578 1.00 0.00 O ATOM 511 CB ASN A 33 18.971 4.748 -33.241 1.00 0.00 C ATOM 512 CG ASN A 33 19.359 5.850 -32.247 1.00 0.00 C ATOM 513 OD1 ASN A 33 20.310 6.601 -32.472 1.00 0.00 O ATOM 514 ND2 ASN A 33 18.676 5.911 -31.112 1.00 0.00 N ATOM 0 H ASN A 33 19.119 2.858 -34.851 1.00 0.00 H new ATOM 0 HA ASN A 33 20.587 3.468 -32.566 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.328 5.021 -34.234 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.884 4.685 -33.299 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.933 6.592 -30.398 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.893 5.277 -30.953 1.00 0.00 H new ATOM 521 N ASP A 34 17.499 2.358 -31.965 1.00 0.00 N ATOM 522 CA ASP A 34 16.518 1.946 -30.938 1.00 0.00 C ATOM 523 C ASP A 34 16.969 0.657 -30.214 1.00 0.00 C ATOM 524 O ASP A 34 16.723 0.486 -29.009 1.00 0.00 O ATOM 525 CB ASP A 34 15.129 1.759 -31.595 1.00 0.00 C ATOM 526 CG ASP A 34 14.003 1.504 -30.574 1.00 0.00 C ATOM 527 OD1 ASP A 34 13.443 2.478 -30.033 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.675 0.339 -30.308 1.00 0.00 O ATOM 0 H ASP A 34 17.141 2.291 -32.918 1.00 0.00 H new ATOM 0 HA ASP A 34 16.451 2.730 -30.184 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.887 2.648 -32.178 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.174 0.923 -32.293 1.00 0.00 H new ATOM 533 N LEU A 35 17.655 -0.221 -30.969 1.00 0.00 N ATOM 534 CA LEU A 35 18.293 -1.441 -30.424 1.00 0.00 C ATOM 535 C LEU A 35 19.348 -1.041 -29.373 1.00 0.00 C ATOM 536 O LEU A 35 19.268 -1.441 -28.204 1.00 0.00 O ATOM 537 CB LEU A 35 18.930 -2.268 -31.599 1.00 0.00 C ATOM 538 CG LEU A 35 19.524 -3.702 -31.301 1.00 0.00 C ATOM 539 CD1 LEU A 35 20.867 -3.670 -30.544 1.00 0.00 C ATOM 540 CD2 LEU A 35 18.500 -4.588 -30.582 1.00 0.00 C ATOM 0 H LEU A 35 17.784 -0.108 -31.974 1.00 0.00 H new ATOM 0 HA LEU A 35 17.550 -2.070 -29.934 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.168 -2.383 -32.370 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.730 -1.665 -32.029 1.00 0.00 H new ATOM 0 HG LEU A 35 19.742 -4.143 -32.273 1.00 0.00 H new ATOM 0 HD11 LEU A 35 21.214 -4.689 -30.375 1.00 0.00 H new ATOM 0 HD12 LEU A 35 21.605 -3.129 -31.136 1.00 0.00 H new ATOM 0 HD13 LEU A 35 20.733 -3.169 -29.586 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.937 -5.568 -30.391 1.00 0.00 H new ATOM 0 HD22 LEU A 35 18.219 -4.125 -29.636 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.615 -4.702 -31.207 1.00 0.00 H new ATOM 552 N ILE A 36 20.318 -0.226 -29.821 1.00 0.00 N ATOM 553 CA ILE A 36 21.459 0.222 -28.983 1.00 0.00 C ATOM 554 C ILE A 36 20.958 0.992 -27.741 1.00 0.00 C ATOM 555 O ILE A 36 21.508 0.847 -26.648 1.00 0.00 O ATOM 556 CB ILE A 36 22.426 1.135 -29.818 1.00 0.00 C ATOM 557 CG1 ILE A 36 22.888 0.404 -31.114 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.657 1.593 -28.990 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.596 1.288 -32.125 1.00 0.00 C ATOM 0 H ILE A 36 20.339 0.144 -30.771 1.00 0.00 H new ATOM 0 HA ILE A 36 22.001 -0.663 -28.651 1.00 0.00 H new ATOM 0 HB ILE A 36 21.866 2.029 -30.094 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.555 -0.412 -30.836 1.00 0.00 H new ATOM 0 HG13 ILE A 36 22.017 -0.045 -31.592 1.00 0.00 H new ATOM 0 HG21 ILE A 36 24.298 2.222 -29.608 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.321 2.160 -28.122 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.218 0.719 -28.658 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.880 0.693 -32.993 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.928 2.090 -32.438 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.489 1.717 -31.671 1.00 0.00 H new ATOM 571 N THR A 37 19.876 1.768 -27.949 1.00 0.00 N ATOM 572 CA THR A 37 19.195 2.536 -26.903 1.00 0.00 C ATOM 573 C THR A 37 18.705 1.595 -25.787 1.00 0.00 C ATOM 574 O THR A 37 19.044 1.802 -24.621 1.00 0.00 O ATOM 575 CB THR A 37 17.995 3.350 -27.490 1.00 0.00 C ATOM 576 OG1 THR A 37 18.465 4.267 -28.493 1.00 0.00 O ATOM 577 CG2 THR A 37 17.225 4.130 -26.411 1.00 0.00 C ATOM 0 H THR A 37 19.447 1.877 -28.868 1.00 0.00 H new ATOM 0 HA THR A 37 19.910 3.244 -26.484 1.00 0.00 H new ATOM 0 HB THR A 37 17.308 2.627 -27.929 1.00 0.00 H new ATOM 0 HG1 THR A 37 18.667 3.776 -29.317 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.403 4.677 -26.874 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.827 3.434 -25.673 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.898 4.833 -25.921 1.00 0.00 H new ATOM 585 N TYR A 38 17.957 0.532 -26.173 1.00 0.00 N ATOM 586 CA TYR A 38 17.449 -0.492 -25.232 1.00 0.00 C ATOM 587 C TYR A 38 18.611 -1.087 -24.417 1.00 0.00 C ATOM 588 O TYR A 38 18.528 -1.205 -23.198 1.00 0.00 O ATOM 589 CB TYR A 38 16.696 -1.618 -25.999 1.00 0.00 C ATOM 590 CG TYR A 38 16.129 -2.758 -25.115 1.00 0.00 C ATOM 591 CD1 TYR A 38 16.891 -3.890 -24.801 1.00 0.00 C ATOM 592 CD2 TYR A 38 14.832 -2.707 -24.603 1.00 0.00 C ATOM 593 CE1 TYR A 38 16.391 -4.912 -24.019 1.00 0.00 C ATOM 594 CE2 TYR A 38 14.331 -3.737 -23.814 1.00 0.00 C ATOM 595 CZ TYR A 38 15.113 -4.830 -23.531 1.00 0.00 C ATOM 596 OH TYR A 38 14.608 -5.846 -22.752 1.00 0.00 O ATOM 0 H TYR A 38 17.691 0.362 -27.143 1.00 0.00 H new ATOM 0 HA TYR A 38 16.747 -0.014 -24.548 1.00 0.00 H new ATOM 0 HB2 TYR A 38 15.873 -1.168 -26.555 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.376 -2.053 -26.732 1.00 0.00 H new ATOM 0 HD1 TYR A 38 17.899 -3.966 -25.182 1.00 0.00 H new ATOM 0 HD2 TYR A 38 14.207 -1.854 -24.823 1.00 0.00 H new ATOM 0 HE1 TYR A 38 17.004 -5.772 -23.793 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.326 -3.677 -23.423 1.00 0.00 H new ATOM 0 HH TYR A 38 13.689 -5.630 -22.488 1.00 0.00 H new ATOM 606 N LEU A 39 19.703 -1.431 -25.113 1.00 0.00 N ATOM 607 CA LEU A 39 20.873 -2.089 -24.491 1.00 0.00 C ATOM 608 C LEU A 39 21.564 -1.189 -23.443 1.00 0.00 C ATOM 609 O LEU A 39 21.919 -1.663 -22.383 1.00 0.00 O ATOM 610 CB LEU A 39 21.876 -2.590 -25.577 1.00 0.00 C ATOM 611 CG LEU A 39 21.596 -4.024 -26.148 1.00 0.00 C ATOM 612 CD1 LEU A 39 20.172 -4.165 -26.702 1.00 0.00 C ATOM 613 CD2 LEU A 39 22.622 -4.413 -27.220 1.00 0.00 C ATOM 0 H LEU A 39 19.806 -1.265 -26.114 1.00 0.00 H new ATOM 0 HA LEU A 39 20.504 -2.961 -23.951 1.00 0.00 H new ATOM 0 HB2 LEU A 39 21.871 -1.881 -26.405 1.00 0.00 H new ATOM 0 HB3 LEU A 39 22.880 -2.577 -25.152 1.00 0.00 H new ATOM 0 HG LEU A 39 21.693 -4.711 -25.307 1.00 0.00 H new ATOM 0 HD11 LEU A 39 20.029 -5.175 -27.085 1.00 0.00 H new ATOM 0 HD12 LEU A 39 19.452 -3.973 -25.907 1.00 0.00 H new ATOM 0 HD13 LEU A 39 20.022 -3.447 -27.508 1.00 0.00 H new ATOM 0 HD21 LEU A 39 22.397 -5.412 -27.593 1.00 0.00 H new ATOM 0 HD22 LEU A 39 22.577 -3.700 -28.043 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.622 -4.404 -26.787 1.00 0.00 H new ATOM 625 N GLN A 40 21.738 0.111 -23.727 1.00 0.00 N ATOM 626 CA GLN A 40 22.406 1.044 -22.781 1.00 0.00 C ATOM 627 C GLN A 40 21.442 1.567 -21.697 1.00 0.00 C ATOM 628 O GLN A 40 21.881 2.119 -20.683 1.00 0.00 O ATOM 629 CB GLN A 40 23.150 2.182 -23.533 1.00 0.00 C ATOM 630 CG GLN A 40 22.300 3.049 -24.485 1.00 0.00 C ATOM 631 CD GLN A 40 23.114 3.710 -25.620 1.00 0.00 C ATOM 632 OE1 GLN A 40 24.130 3.014 -26.131 1.00 0.00 O flip ATOM 633 NE2 GLN A 40 22.811 4.816 -26.062 1.00 0.00 N flip ATOM 0 H GLN A 40 21.431 0.547 -24.597 1.00 0.00 H new ATOM 0 HA GLN A 40 23.168 0.476 -22.247 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.608 2.837 -22.792 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.961 1.737 -24.110 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.518 2.430 -24.924 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.803 3.827 -23.906 1.00 0.00 H new ATOM 0 HE21 GLN A 40 22.030 5.331 -25.656 1.00 0.00 H new ATOM 0 HE22 GLN A 40 23.341 5.219 -26.835 1.00 0.00 H new ATOM 642 N LYS A 41 20.127 1.416 -21.930 1.00 0.00 N ATOM 643 CA LYS A 41 19.097 1.701 -20.909 1.00 0.00 C ATOM 644 C LYS A 41 19.009 0.566 -19.875 1.00 0.00 C ATOM 645 O LYS A 41 18.937 0.816 -18.667 1.00 0.00 O ATOM 646 CB LYS A 41 17.704 1.907 -21.558 1.00 0.00 C ATOM 647 CG LYS A 41 17.525 3.246 -22.293 1.00 0.00 C ATOM 648 CD LYS A 41 16.116 3.423 -22.919 1.00 0.00 C ATOM 649 CE LYS A 41 14.971 3.504 -21.880 1.00 0.00 C ATOM 650 NZ LYS A 41 14.588 2.188 -21.291 1.00 0.00 N ATOM 0 H LYS A 41 19.748 1.096 -22.821 1.00 0.00 H new ATOM 0 HA LYS A 41 19.395 2.621 -20.405 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.524 1.095 -22.263 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.943 1.830 -20.782 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.709 4.062 -21.595 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.276 3.323 -23.079 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.109 4.330 -23.523 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.922 2.589 -23.594 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.271 4.176 -21.076 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.095 3.946 -22.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.554 2.083 -21.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.029 1.421 -21.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.914 2.141 -20.305 1.00 0.00 H new ATOM 664 N ASN A 42 18.998 -0.682 -20.371 1.00 0.00 N ATOM 665 CA ASN A 42 18.752 -1.874 -19.542 1.00 0.00 C ATOM 666 C ASN A 42 20.052 -2.408 -18.920 1.00 0.00 C ATOM 667 O ASN A 42 20.086 -2.680 -17.722 1.00 0.00 O ATOM 668 CB ASN A 42 18.028 -2.958 -20.387 1.00 0.00 C ATOM 669 CG ASN A 42 16.543 -2.645 -20.618 1.00 0.00 C ATOM 670 OD1 ASN A 42 15.672 -3.160 -19.917 1.00 0.00 O ATOM 671 ND2 ASN A 42 16.233 -1.732 -21.533 1.00 0.00 N ATOM 0 H ASN A 42 19.159 -0.893 -21.356 1.00 0.00 H new ATOM 0 HA ASN A 42 18.105 -1.595 -18.711 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.528 -3.053 -21.351 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.117 -3.922 -19.885 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.262 -1.449 -21.662 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.966 -1.315 -22.106 1.00 0.00 H new ATOM 678 N ALA A 43 21.124 -2.517 -19.720 1.00 0.00 N ATOM 679 CA ALA A 43 22.427 -3.041 -19.243 1.00 0.00 C ATOM 680 C ALA A 43 23.195 -2.002 -18.424 1.00 0.00 C ATOM 681 O ALA A 43 22.967 -0.790 -18.551 1.00 0.00 O ATOM 682 CB ALA A 43 23.309 -3.489 -20.414 1.00 0.00 C ATOM 0 H ALA A 43 21.120 -2.250 -20.704 1.00 0.00 H new ATOM 0 HA ALA A 43 22.197 -3.896 -18.607 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.257 -3.868 -20.031 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.802 -4.277 -20.971 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.497 -2.641 -21.073 1.00 0.00 H new ATOM 688 N ASP A 44 24.109 -2.509 -17.584 1.00 0.00 N ATOM 689 CA ASP A 44 25.132 -1.689 -16.919 1.00 0.00 C ATOM 690 C ASP A 44 26.242 -1.343 -17.918 1.00 0.00 C ATOM 691 O ASP A 44 26.436 -2.064 -18.906 1.00 0.00 O ATOM 692 CB ASP A 44 25.723 -2.426 -15.694 1.00 0.00 C ATOM 693 CG ASP A 44 24.659 -2.802 -14.647 1.00 0.00 C ATOM 694 OD1 ASP A 44 24.290 -1.935 -13.821 1.00 0.00 O ATOM 695 OD2 ASP A 44 24.168 -3.954 -14.655 1.00 0.00 O ATOM 0 H ASP A 44 24.160 -3.500 -17.346 1.00 0.00 H new ATOM 0 HA ASP A 44 24.666 -0.770 -16.564 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.229 -3.331 -16.031 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.478 -1.794 -15.226 1.00 0.00 H new ATOM 700 N ALA A 45 26.995 -0.273 -17.613 1.00 0.00 N ATOM 701 CA ALA A 45 27.994 0.326 -18.531 1.00 0.00 C ATOM 702 C ALA A 45 29.022 -0.703 -19.052 1.00 0.00 C ATOM 703 O ALA A 45 29.499 -0.582 -20.179 1.00 0.00 O ATOM 704 CB ALA A 45 28.707 1.494 -17.837 1.00 0.00 C ATOM 0 H ALA A 45 26.931 0.209 -16.716 1.00 0.00 H new ATOM 0 HA ALA A 45 27.452 0.693 -19.403 1.00 0.00 H new ATOM 0 HB1 ALA A 45 29.439 1.929 -18.517 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.976 2.252 -17.558 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.213 1.131 -16.942 1.00 0.00 H new ATOM 710 N ALA A 46 29.295 -1.729 -18.224 1.00 0.00 N ATOM 711 CA ALA A 46 30.247 -2.816 -18.524 1.00 0.00 C ATOM 712 C ALA A 46 29.927 -3.517 -19.861 1.00 0.00 C ATOM 713 O ALA A 46 30.821 -3.745 -20.694 1.00 0.00 O ATOM 714 CB ALA A 46 30.220 -3.834 -17.379 1.00 0.00 C ATOM 0 H ALA A 46 28.852 -1.828 -17.311 1.00 0.00 H new ATOM 0 HA ALA A 46 31.241 -2.379 -18.620 1.00 0.00 H new ATOM 0 HB1 ALA A 46 30.921 -4.641 -17.593 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.505 -3.343 -16.449 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.215 -4.244 -17.280 1.00 0.00 H new ATOM 720 N PHE A 47 28.629 -3.810 -20.064 1.00 0.00 N ATOM 721 CA PHE A 47 28.142 -4.550 -21.244 1.00 0.00 C ATOM 722 C PHE A 47 28.396 -3.743 -22.524 1.00 0.00 C ATOM 723 O PHE A 47 28.862 -4.271 -23.538 1.00 0.00 O ATOM 724 CB PHE A 47 26.633 -4.857 -21.080 1.00 0.00 C ATOM 725 CG PHE A 47 26.058 -5.808 -22.137 1.00 0.00 C ATOM 726 CD1 PHE A 47 26.179 -7.188 -21.986 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.408 -5.327 -23.280 1.00 0.00 C ATOM 728 CE1 PHE A 47 25.676 -8.057 -22.939 1.00 0.00 C ATOM 729 CE2 PHE A 47 24.909 -6.198 -24.234 1.00 0.00 C ATOM 730 CZ PHE A 47 25.043 -7.561 -24.060 1.00 0.00 C ATOM 0 H PHE A 47 27.889 -3.541 -19.416 1.00 0.00 H new ATOM 0 HA PHE A 47 28.686 -5.491 -21.325 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.468 -5.289 -20.093 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.079 -3.919 -21.114 1.00 0.00 H new ATOM 0 HD1 PHE A 47 26.673 -7.586 -21.112 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.294 -4.262 -23.420 1.00 0.00 H new ATOM 0 HE1 PHE A 47 25.779 -9.124 -22.805 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.415 -5.811 -25.113 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.652 -8.240 -24.803 1.00 0.00 H new ATOM 740 N LEU A 48 28.118 -2.442 -22.436 1.00 0.00 N ATOM 741 CA LEU A 48 28.264 -1.517 -23.563 1.00 0.00 C ATOM 742 C LEU A 48 29.749 -1.229 -23.838 1.00 0.00 C ATOM 743 O LEU A 48 30.132 -0.949 -24.968 1.00 0.00 O ATOM 744 CB LEU A 48 27.474 -0.208 -23.309 1.00 0.00 C ATOM 745 CG LEU A 48 25.935 -0.341 -23.025 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.261 -1.403 -23.913 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.638 -0.584 -21.535 1.00 0.00 C ATOM 0 H LEU A 48 27.785 -1.998 -21.580 1.00 0.00 H new ATOM 0 HA LEU A 48 27.844 -1.989 -24.451 1.00 0.00 H new ATOM 0 HB2 LEU A 48 27.931 0.303 -22.461 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.602 0.438 -24.178 1.00 0.00 H new ATOM 0 HG LEU A 48 25.495 0.620 -23.291 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.198 -1.454 -23.676 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.386 -1.133 -24.962 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.721 -2.374 -23.731 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.561 -0.669 -21.388 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.122 -1.506 -21.213 1.00 0.00 H new ATOM 0 HD23 LEU A 48 26.020 0.251 -20.947 1.00 0.00 H new ATOM 759 N ARG A 49 30.578 -1.306 -22.793 1.00 0.00 N ATOM 760 CA ARG A 49 32.042 -1.165 -22.920 1.00 0.00 C ATOM 761 C ARG A 49 32.669 -2.425 -23.542 1.00 0.00 C ATOM 762 O ARG A 49 33.774 -2.366 -24.089 1.00 0.00 O ATOM 763 CB ARG A 49 32.674 -0.851 -21.546 1.00 0.00 C ATOM 764 CG ARG A 49 32.347 0.560 -21.008 1.00 0.00 C ATOM 765 CD ARG A 49 32.944 0.829 -19.616 1.00 0.00 C ATOM 766 NE ARG A 49 34.410 0.649 -19.606 1.00 0.00 N ATOM 767 CZ ARG A 49 35.314 1.581 -19.951 1.00 0.00 C ATOM 768 NH1 ARG A 49 34.945 2.817 -20.281 1.00 0.00 N ATOM 769 NH2 ARG A 49 36.599 1.265 -19.955 1.00 0.00 N ATOM 0 H ARG A 49 30.261 -1.467 -21.837 1.00 0.00 H new ATOM 0 HA ARG A 49 32.247 -0.331 -23.590 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.332 -1.592 -20.823 1.00 0.00 H new ATOM 0 HB3 ARG A 49 33.756 -0.957 -21.623 1.00 0.00 H new ATOM 0 HG2 ARG A 49 32.724 1.306 -21.708 1.00 0.00 H new ATOM 0 HG3 ARG A 49 31.265 0.683 -20.963 1.00 0.00 H new ATOM 0 HD2 ARG A 49 32.700 1.845 -19.306 1.00 0.00 H new ATOM 0 HD3 ARG A 49 32.490 0.156 -18.889 1.00 0.00 H new ATOM 0 HE ARG A 49 34.766 -0.260 -19.312 1.00 0.00 H new ATOM 0 HH11 ARG A 49 33.958 3.073 -20.275 1.00 0.00 H new ATOM 0 HH12 ARG A 49 35.650 3.508 -20.539 1.00 0.00 H new ATOM 0 HH21 ARG A 49 36.893 0.323 -19.698 1.00 0.00 H new ATOM 0 HH22 ARG A 49 37.295 1.964 -20.215 1.00 0.00 H new ATOM 783 N HIS A 50 31.954 -3.563 -23.450 1.00 0.00 N ATOM 784 CA HIS A 50 32.347 -4.805 -24.137 1.00 0.00 C ATOM 785 C HIS A 50 31.999 -4.712 -25.637 1.00 0.00 C ATOM 786 O HIS A 50 32.847 -4.974 -26.499 1.00 0.00 O ATOM 787 CB HIS A 50 31.660 -6.035 -23.487 1.00 0.00 C ATOM 788 CG HIS A 50 31.996 -7.351 -24.146 1.00 0.00 C ATOM 789 ND1 HIS A 50 31.057 -8.146 -24.763 1.00 0.00 N ATOM 790 CD2 HIS A 50 33.181 -7.995 -24.298 1.00 0.00 C ATOM 791 CE1 HIS A 50 31.644 -9.210 -25.269 1.00 0.00 C ATOM 792 NE2 HIS A 50 32.930 -9.142 -25.005 1.00 0.00 N ATOM 0 H HIS A 50 31.097 -3.646 -22.903 1.00 0.00 H new ATOM 0 HA HIS A 50 33.425 -4.933 -24.037 1.00 0.00 H new ATOM 0 HB2 HIS A 50 31.946 -6.084 -22.436 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.580 -5.892 -23.517 1.00 0.00 H new ATOM 0 HD1 HIS A 50 30.059 -7.942 -24.819 1.00 0.00 H new ATOM 0 HD2 HIS A 50 34.142 -7.665 -23.931 1.00 0.00 H new ATOM 0 HE1 HIS A 50 31.152 -10.005 -25.810 1.00 0.00 H new ATOM 801 N TRP A 51 30.747 -4.306 -25.931 1.00 0.00 N ATOM 802 CA TRP A 51 30.194 -4.302 -27.309 1.00 0.00 C ATOM 803 C TRP A 51 30.375 -2.950 -28.029 1.00 0.00 C ATOM 804 O TRP A 51 29.798 -2.748 -29.102 1.00 0.00 O ATOM 805 CB TRP A 51 28.698 -4.709 -27.278 1.00 0.00 C ATOM 806 CG TRP A 51 28.475 -6.127 -26.832 1.00 0.00 C ATOM 807 CD1 TRP A 51 28.143 -6.559 -25.585 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.589 -7.300 -27.646 1.00 0.00 C ATOM 809 NE1 TRP A 51 28.033 -7.921 -25.572 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.306 -8.401 -26.825 1.00 0.00 C ATOM 811 CE3 TRP A 51 28.901 -7.521 -28.993 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.323 -9.703 -27.304 1.00 0.00 C ATOM 813 CZ3 TRP A 51 28.918 -8.814 -29.468 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.632 -9.894 -28.625 1.00 0.00 C ATOM 0 H TRP A 51 30.090 -3.972 -25.226 1.00 0.00 H new ATOM 0 HA TRP A 51 30.762 -5.033 -27.884 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.160 -4.037 -26.610 1.00 0.00 H new ATOM 0 HB3 TRP A 51 28.272 -4.578 -28.273 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.989 -5.918 -24.729 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.787 -8.488 -24.761 1.00 0.00 H new ATOM 0 HE3 TRP A 51 29.124 -6.692 -29.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 28.100 -10.538 -26.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.155 -8.997 -30.506 1.00 0.00 H new ATOM 0 HH2 TRP A 51 28.655 -10.897 -29.024 1.00 0.00 H new ATOM 825 N LYS A 52 31.167 -2.040 -27.428 1.00 0.00 N ATOM 826 CA LYS A 52 31.532 -0.718 -28.014 1.00 0.00 C ATOM 827 C LYS A 52 30.291 0.195 -28.184 1.00 0.00 C ATOM 828 O LYS A 52 30.317 1.182 -28.929 1.00 0.00 O ATOM 829 CB LYS A 52 32.304 -0.885 -29.370 1.00 0.00 C ATOM 830 CG LYS A 52 33.571 -1.793 -29.339 1.00 0.00 C ATOM 831 CD LYS A 52 34.784 -1.218 -28.538 1.00 0.00 C ATOM 832 CE LYS A 52 34.718 -1.470 -27.015 1.00 0.00 C ATOM 833 NZ LYS A 52 35.907 -0.947 -26.301 1.00 0.00 N ATOM 0 H LYS A 52 31.581 -2.197 -26.509 1.00 0.00 H new ATOM 0 HA LYS A 52 32.204 -0.228 -27.309 1.00 0.00 H new ATOM 0 HB2 LYS A 52 31.612 -1.289 -30.109 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.601 0.104 -29.718 1.00 0.00 H new ATOM 0 HG2 LYS A 52 33.297 -2.757 -28.910 1.00 0.00 H new ATOM 0 HG3 LYS A 52 33.889 -1.980 -30.365 1.00 0.00 H new ATOM 0 HD2 LYS A 52 35.702 -1.657 -28.928 1.00 0.00 H new ATOM 0 HD3 LYS A 52 34.844 -0.144 -28.714 1.00 0.00 H new ATOM 0 HE2 LYS A 52 33.820 -1.002 -26.611 1.00 0.00 H new ATOM 0 HE3 LYS A 52 34.629 -2.541 -26.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 35.814 -1.141 -25.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 36.763 -1.412 -26.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 35.979 0.079 -26.452 1.00 0.00 H new ATOM 847 N LEU A 53 29.223 -0.124 -27.425 1.00 0.00 N ATOM 848 CA LEU A 53 27.958 0.630 -27.424 1.00 0.00 C ATOM 849 C LEU A 53 27.999 1.765 -26.367 1.00 0.00 C ATOM 850 O LEU A 53 27.009 2.474 -26.170 1.00 0.00 O ATOM 851 CB LEU A 53 26.781 -0.331 -27.121 1.00 0.00 C ATOM 852 CG LEU A 53 26.704 -1.628 -27.979 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.633 -2.580 -27.439 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.467 -1.318 -29.465 1.00 0.00 C ATOM 0 H LEU A 53 29.217 -0.922 -26.789 1.00 0.00 H new ATOM 0 HA LEU A 53 27.817 1.080 -28.407 1.00 0.00 H new ATOM 0 HB2 LEU A 53 26.838 -0.619 -26.071 1.00 0.00 H new ATOM 0 HB3 LEU A 53 25.849 0.219 -27.251 1.00 0.00 H new ATOM 0 HG LEU A 53 27.671 -2.125 -27.903 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.600 -3.478 -28.056 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.874 -2.854 -26.412 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.661 -2.086 -27.464 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.420 -2.250 -30.028 1.00 0.00 H new ATOM 0 HD22 LEU A 53 25.527 -0.777 -29.579 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.286 -0.706 -29.844 1.00 0.00 H new ATOM 866 N THR A 54 29.148 1.888 -25.675 1.00 0.00 N ATOM 867 CA THR A 54 29.392 2.926 -24.658 1.00 0.00 C ATOM 868 C THR A 54 29.638 4.326 -25.283 1.00 0.00 C ATOM 869 O THR A 54 29.624 5.338 -24.565 1.00 0.00 O ATOM 870 CB THR A 54 30.591 2.505 -23.743 1.00 0.00 C ATOM 871 OG1 THR A 54 30.879 3.508 -22.759 1.00 0.00 O ATOM 872 CG2 THR A 54 31.864 2.207 -24.552 1.00 0.00 C ATOM 0 H THR A 54 29.942 1.261 -25.809 1.00 0.00 H new ATOM 0 HA THR A 54 28.489 3.011 -24.053 1.00 0.00 H new ATOM 0 HB THR A 54 30.280 1.589 -23.241 1.00 0.00 H new ATOM 0 HG1 THR A 54 30.457 4.353 -23.020 1.00 0.00 H new ATOM 0 HG21 THR A 54 32.667 1.920 -23.874 1.00 0.00 H new ATOM 0 HG22 THR A 54 31.669 1.393 -25.250 1.00 0.00 H new ATOM 0 HG23 THR A 54 32.159 3.097 -25.107 1.00 0.00 H new ATOM 880 N GLY A 55 29.847 4.377 -26.618 1.00 0.00 N ATOM 881 CA GLY A 55 29.985 5.656 -27.342 1.00 0.00 C ATOM 882 C GLY A 55 28.636 6.327 -27.607 1.00 0.00 C ATOM 883 O GLY A 55 27.610 5.903 -27.055 1.00 0.00 O ATOM 0 H GLY A 55 29.923 3.551 -27.211 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.616 6.331 -26.764 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.492 5.480 -28.291 1.00 0.00 H new ATOM 887 N THR A 56 28.628 7.381 -28.444 1.00 0.00 N ATOM 888 CA THR A 56 27.381 8.047 -28.868 1.00 0.00 C ATOM 889 C THR A 56 26.636 7.158 -29.886 1.00 0.00 C ATOM 890 O THR A 56 27.222 6.734 -30.889 1.00 0.00 O ATOM 891 CB THR A 56 27.640 9.487 -29.444 1.00 0.00 C ATOM 892 OG1 THR A 56 26.416 10.055 -29.944 1.00 0.00 O ATOM 893 CG2 THR A 56 28.711 9.511 -30.548 1.00 0.00 C ATOM 0 H THR A 56 29.473 7.791 -28.841 1.00 0.00 H new ATOM 0 HA THR A 56 26.753 8.180 -27.987 1.00 0.00 H new ATOM 0 HB THR A 56 28.018 10.086 -28.616 1.00 0.00 H new ATOM 0 HG1 THR A 56 26.592 10.952 -30.298 1.00 0.00 H new ATOM 0 HG21 THR A 56 28.844 10.533 -30.904 1.00 0.00 H new ATOM 0 HG22 THR A 56 29.655 9.141 -30.147 1.00 0.00 H new ATOM 0 HG23 THR A 56 28.395 8.876 -31.376 1.00 0.00 H new ATOM 901 N ASN A 57 25.344 6.900 -29.602 1.00 0.00 N ATOM 902 CA ASN A 57 24.497 5.909 -30.317 1.00 0.00 C ATOM 903 C ASN A 57 24.498 6.132 -31.848 1.00 0.00 C ATOM 904 O ASN A 57 24.507 5.171 -32.623 1.00 0.00 O ATOM 905 CB ASN A 57 23.057 5.969 -29.730 1.00 0.00 C ATOM 906 CG ASN A 57 22.142 4.804 -30.121 1.00 0.00 C ATOM 907 OD1 ASN A 57 22.216 4.255 -31.215 1.00 0.00 O ATOM 908 ND2 ASN A 57 21.270 4.406 -29.204 1.00 0.00 N ATOM 0 H ASN A 57 24.844 7.382 -28.855 1.00 0.00 H new ATOM 0 HA ASN A 57 24.913 4.913 -30.163 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.127 6.006 -28.643 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.590 6.900 -30.051 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.642 3.627 -29.402 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.228 4.879 -28.301 1.00 0.00 H new ATOM 915 N LYS A 58 24.538 7.412 -32.245 1.00 0.00 N ATOM 916 CA LYS A 58 24.579 7.846 -33.657 1.00 0.00 C ATOM 917 C LYS A 58 25.818 7.261 -34.384 1.00 0.00 C ATOM 918 O LYS A 58 25.702 6.594 -35.430 1.00 0.00 O ATOM 919 CB LYS A 58 24.604 9.399 -33.688 1.00 0.00 C ATOM 920 CG LYS A 58 24.318 10.036 -35.064 1.00 0.00 C ATOM 921 CD LYS A 58 24.410 11.584 -35.046 1.00 0.00 C ATOM 922 CE LYS A 58 23.431 12.245 -34.050 1.00 0.00 C ATOM 923 NZ LYS A 58 22.009 11.957 -34.374 1.00 0.00 N ATOM 0 H LYS A 58 24.543 8.191 -31.586 1.00 0.00 H new ATOM 0 HA LYS A 58 23.697 7.477 -34.180 1.00 0.00 H new ATOM 0 HB2 LYS A 58 23.870 9.772 -32.974 1.00 0.00 H new ATOM 0 HB3 LYS A 58 25.582 9.737 -33.346 1.00 0.00 H new ATOM 0 HG2 LYS A 58 25.026 9.644 -35.794 1.00 0.00 H new ATOM 0 HG3 LYS A 58 23.322 9.741 -35.395 1.00 0.00 H new ATOM 0 HD2 LYS A 58 25.429 11.877 -34.792 1.00 0.00 H new ATOM 0 HD3 LYS A 58 24.210 11.964 -36.048 1.00 0.00 H new ATOM 0 HE2 LYS A 58 23.649 11.892 -33.042 1.00 0.00 H new ATOM 0 HE3 LYS A 58 23.589 13.323 -34.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 21.393 12.422 -33.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 21.790 12.317 -35.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 21.848 10.930 -34.347 1.00 0.00 H new ATOM 937 N SER A 59 26.999 7.491 -33.779 1.00 0.00 N ATOM 938 CA SER A 59 28.287 7.000 -34.298 1.00 0.00 C ATOM 939 C SER A 59 28.323 5.466 -34.328 1.00 0.00 C ATOM 940 O SER A 59 28.778 4.885 -35.308 1.00 0.00 O ATOM 941 CB SER A 59 29.459 7.530 -33.441 1.00 0.00 C ATOM 942 OG SER A 59 30.705 6.978 -33.834 1.00 0.00 O ATOM 0 H SER A 59 27.085 8.024 -32.914 1.00 0.00 H new ATOM 0 HA SER A 59 28.394 7.371 -35.317 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.503 8.616 -33.522 1.00 0.00 H new ATOM 0 HB3 SER A 59 29.275 7.296 -32.393 1.00 0.00 H new ATOM 0 HG SER A 59 31.417 7.341 -33.267 1.00 0.00 H new ATOM 948 N ILE A 60 27.819 4.841 -33.247 1.00 0.00 N ATOM 949 CA ILE A 60 27.833 3.376 -33.080 1.00 0.00 C ATOM 950 C ILE A 60 27.118 2.692 -34.255 1.00 0.00 C ATOM 951 O ILE A 60 27.742 1.967 -35.005 1.00 0.00 O ATOM 952 CB ILE A 60 27.163 2.954 -31.734 1.00 0.00 C ATOM 953 CG1 ILE A 60 27.883 3.624 -30.530 1.00 0.00 C ATOM 954 CG2 ILE A 60 27.156 1.414 -31.571 1.00 0.00 C ATOM 955 CD1 ILE A 60 27.123 3.522 -29.231 1.00 0.00 C ATOM 0 H ILE A 60 27.391 5.338 -32.466 1.00 0.00 H new ATOM 0 HA ILE A 60 28.875 3.056 -33.061 1.00 0.00 H new ATOM 0 HB ILE A 60 26.128 3.296 -31.755 1.00 0.00 H new ATOM 0 HG12 ILE A 60 28.863 3.164 -30.403 1.00 0.00 H new ATOM 0 HG13 ILE A 60 28.052 4.676 -30.760 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.683 1.150 -30.625 1.00 0.00 H new ATOM 0 HG22 ILE A 60 26.599 0.964 -32.393 1.00 0.00 H new ATOM 0 HG23 ILE A 60 28.181 1.042 -31.581 1.00 0.00 H new ATOM 0 HD11 ILE A 60 27.689 4.012 -28.439 1.00 0.00 H new ATOM 0 HD12 ILE A 60 26.153 4.008 -29.338 1.00 0.00 H new ATOM 0 HD13 ILE A 60 26.977 2.472 -28.976 1.00 0.00 H new ATOM 967 N ARG A 61 25.824 2.999 -34.444 1.00 0.00 N ATOM 968 CA ARG A 61 25.001 2.388 -35.514 1.00 0.00 C ATOM 969 C ARG A 61 25.564 2.690 -36.920 1.00 0.00 C ATOM 970 O ARG A 61 25.414 1.883 -37.841 1.00 0.00 O ATOM 971 CB ARG A 61 23.540 2.873 -35.405 1.00 0.00 C ATOM 972 CG ARG A 61 23.366 4.397 -35.506 1.00 0.00 C ATOM 973 CD ARG A 61 21.927 4.841 -35.265 1.00 0.00 C ATOM 974 NE ARG A 61 21.782 6.304 -35.314 1.00 0.00 N ATOM 975 CZ ARG A 61 21.490 7.008 -36.414 1.00 0.00 C ATOM 976 NH1 ARG A 61 21.378 6.413 -37.607 1.00 0.00 N ATOM 977 NH2 ARG A 61 21.336 8.319 -36.318 1.00 0.00 N ATOM 0 H ARG A 61 25.318 3.671 -33.868 1.00 0.00 H new ATOM 0 HA ARG A 61 25.032 1.307 -35.376 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.954 2.400 -36.193 1.00 0.00 H new ATOM 0 HB3 ARG A 61 23.128 2.535 -34.454 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.018 4.882 -34.780 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.685 4.731 -36.494 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.278 4.388 -36.015 1.00 0.00 H new ATOM 0 HD3 ARG A 61 21.594 4.477 -34.293 1.00 0.00 H new ATOM 0 HE ARG A 61 21.914 6.821 -34.444 1.00 0.00 H new ATOM 0 HH11 ARG A 61 21.516 5.406 -37.689 1.00 0.00 H new ATOM 0 HH12 ARG A 61 21.155 6.967 -38.434 1.00 0.00 H new ATOM 0 HH21 ARG A 61 21.440 8.780 -35.414 1.00 0.00 H new ATOM 0 HH22 ARG A 61 21.113 8.868 -37.148 1.00 0.00 H new ATOM 991 N LYS A 62 26.208 3.866 -37.063 1.00 0.00 N ATOM 992 CA LYS A 62 26.890 4.258 -38.308 1.00 0.00 C ATOM 993 C LYS A 62 28.149 3.389 -38.564 1.00 0.00 C ATOM 994 O LYS A 62 28.420 2.984 -39.700 1.00 0.00 O ATOM 995 CB LYS A 62 27.263 5.759 -38.217 1.00 0.00 C ATOM 996 CG LYS A 62 27.981 6.344 -39.449 1.00 0.00 C ATOM 997 CD LYS A 62 28.274 7.855 -39.307 1.00 0.00 C ATOM 998 CE LYS A 62 29.136 8.191 -38.074 1.00 0.00 C ATOM 999 NZ LYS A 62 29.463 9.638 -38.000 1.00 0.00 N ATOM 0 H LYS A 62 26.269 4.565 -36.323 1.00 0.00 H new ATOM 0 HA LYS A 62 26.218 4.096 -39.151 1.00 0.00 H new ATOM 0 HB2 LYS A 62 26.352 6.331 -38.045 1.00 0.00 H new ATOM 0 HB3 LYS A 62 27.900 5.904 -37.345 1.00 0.00 H new ATOM 0 HG2 LYS A 62 28.918 5.810 -39.606 1.00 0.00 H new ATOM 0 HG3 LYS A 62 27.367 6.179 -40.335 1.00 0.00 H new ATOM 0 HD2 LYS A 62 28.782 8.206 -40.205 1.00 0.00 H new ATOM 0 HD3 LYS A 62 27.331 8.397 -39.242 1.00 0.00 H new ATOM 0 HE2 LYS A 62 28.606 7.893 -37.169 1.00 0.00 H new ATOM 0 HE3 LYS A 62 30.059 7.612 -38.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 30.043 9.820 -37.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 29.991 9.919 -38.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 28.584 10.190 -37.941 1.00 0.00 H new ATOM 1013 N ASN A 63 28.887 3.091 -37.484 1.00 0.00 N ATOM 1014 CA ASN A 63 30.199 2.397 -37.542 1.00 0.00 C ATOM 1015 C ASN A 63 30.045 0.870 -37.438 1.00 0.00 C ATOM 1016 O ASN A 63 30.959 0.128 -37.799 1.00 0.00 O ATOM 1017 CB ASN A 63 31.133 2.913 -36.405 1.00 0.00 C ATOM 1018 CG ASN A 63 31.648 4.356 -36.584 1.00 0.00 C ATOM 1019 OD1 ASN A 63 30.868 5.236 -37.207 1.00 0.00 O flip ATOM 1020 ND2 ASN A 63 32.750 4.685 -36.146 1.00 0.00 N flip ATOM 0 H ASN A 63 28.595 3.323 -36.535 1.00 0.00 H new ATOM 0 HA ASN A 63 30.645 2.622 -38.511 1.00 0.00 H new ATOM 0 HB2 ASN A 63 30.596 2.850 -35.459 1.00 0.00 H new ATOM 0 HB3 ASN A 63 31.991 2.245 -36.329 1.00 0.00 H new ATOM 0 HD21 ASN A 63 33.336 3.998 -35.671 1.00 0.00 H new ATOM 0 HD22 ASN A 63 33.078 5.644 -36.258 1.00 0.00 H new ATOM 1027 N ARG A 64 28.893 0.405 -36.938 1.00 0.00 N ATOM 1028 CA ARG A 64 28.631 -1.023 -36.700 1.00 0.00 C ATOM 1029 C ARG A 64 27.641 -1.557 -37.732 1.00 0.00 C ATOM 1030 O ARG A 64 26.763 -0.825 -38.209 1.00 0.00 O ATOM 1031 CB ARG A 64 28.070 -1.255 -35.265 1.00 0.00 C ATOM 1032 CG ARG A 64 28.964 -0.749 -34.103 1.00 0.00 C ATOM 1033 CD ARG A 64 30.246 -1.576 -33.875 1.00 0.00 C ATOM 1034 NE ARG A 64 31.232 -1.480 -34.973 1.00 0.00 N ATOM 1035 CZ ARG A 64 32.388 -0.799 -34.912 1.00 0.00 C ATOM 1036 NH1 ARG A 64 32.641 0.032 -33.899 1.00 0.00 N ATOM 1037 NH2 ARG A 64 33.263 -0.909 -35.903 1.00 0.00 N ATOM 0 H ARG A 64 28.112 1.010 -36.686 1.00 0.00 H new ATOM 0 HA ARG A 64 29.575 -1.559 -36.795 1.00 0.00 H new ATOM 0 HB2 ARG A 64 27.099 -0.766 -35.191 1.00 0.00 H new ATOM 0 HB3 ARG A 64 27.900 -2.323 -35.130 1.00 0.00 H new ATOM 0 HG2 ARG A 64 29.245 0.285 -34.301 1.00 0.00 H new ATOM 0 HG3 ARG A 64 28.378 -0.750 -33.184 1.00 0.00 H new ATOM 0 HD2 ARG A 64 30.717 -1.247 -32.949 1.00 0.00 H new ATOM 0 HD3 ARG A 64 29.971 -2.622 -33.739 1.00 0.00 H new ATOM 0 HE ARG A 64 31.018 -1.968 -35.843 1.00 0.00 H new ATOM 0 HH11 ARG A 64 31.952 0.157 -33.157 1.00 0.00 H new ATOM 0 HH12 ARG A 64 33.524 0.542 -33.866 1.00 0.00 H new ATOM 0 HH21 ARG A 64 33.055 -1.507 -36.703 1.00 0.00 H new ATOM 0 HH22 ARG A 64 34.144 -0.396 -35.865 1.00 0.00 H new ATOM 1051 N ASN A 65 27.798 -2.842 -38.067 1.00 0.00 N ATOM 1052 CA ASN A 65 26.834 -3.574 -38.894 1.00 0.00 C ATOM 1053 C ASN A 65 25.629 -3.970 -38.031 1.00 0.00 C ATOM 1054 O ASN A 65 25.685 -3.886 -36.791 1.00 0.00 O ATOM 1055 CB ASN A 65 27.493 -4.847 -39.484 1.00 0.00 C ATOM 1056 CG ASN A 65 28.731 -4.547 -40.321 1.00 0.00 C ATOM 1057 OD1 ASN A 65 29.854 -4.556 -39.815 1.00 0.00 O ATOM 1058 ND2 ASN A 65 28.536 -4.254 -41.598 1.00 0.00 N ATOM 0 H ASN A 65 28.597 -3.403 -37.772 1.00 0.00 H new ATOM 0 HA ASN A 65 26.507 -2.936 -39.715 1.00 0.00 H new ATOM 0 HB2 ASN A 65 27.766 -5.518 -38.670 1.00 0.00 H new ATOM 0 HB3 ASN A 65 26.764 -5.374 -40.100 1.00 0.00 H new ATOM 0 HD21 ASN A 65 29.330 -4.026 -42.196 1.00 0.00 H new ATOM 0 HD22 ASN A 65 27.592 -4.256 -41.983 1.00 0.00 H new ATOM 1065 N CYS A 66 24.547 -4.415 -38.686 1.00 0.00 N ATOM 1066 CA CYS A 66 23.399 -5.015 -37.993 1.00 0.00 C ATOM 1067 C CYS A 66 23.866 -6.230 -37.171 1.00 0.00 C ATOM 1068 O CYS A 66 23.499 -6.365 -36.012 1.00 0.00 O ATOM 1069 CB CYS A 66 22.317 -5.428 -39.012 1.00 0.00 C ATOM 1070 SG CYS A 66 22.892 -6.581 -40.284 1.00 0.00 S ATOM 0 H CYS A 66 24.443 -4.370 -39.700 1.00 0.00 H new ATOM 0 HA CYS A 66 22.965 -4.280 -37.315 1.00 0.00 H new ATOM 0 HB2 CYS A 66 21.484 -5.883 -38.476 1.00 0.00 H new ATOM 0 HB3 CYS A 66 21.931 -4.532 -39.498 1.00 0.00 H new ATOM 0 HG CYS A 66 21.910 -6.866 -41.087 1.00 0.00 H new ATOM 1076 N SER A 67 24.759 -7.039 -37.784 1.00 0.00 N ATOM 1077 CA SER A 67 25.307 -8.289 -37.207 1.00 0.00 C ATOM 1078 C SER A 67 25.894 -8.110 -35.786 1.00 0.00 C ATOM 1079 O SER A 67 25.730 -8.993 -34.938 1.00 0.00 O ATOM 1080 CB SER A 67 26.377 -8.866 -38.153 1.00 0.00 C ATOM 1081 OG SER A 67 25.851 -9.049 -39.461 1.00 0.00 O ATOM 0 H SER A 67 25.127 -6.837 -38.714 1.00 0.00 H new ATOM 0 HA SER A 67 24.472 -8.982 -37.106 1.00 0.00 H new ATOM 0 HB2 SER A 67 27.234 -8.194 -38.192 1.00 0.00 H new ATOM 0 HB3 SER A 67 26.736 -9.819 -37.764 1.00 0.00 H new ATOM 0 HG SER A 67 26.548 -9.414 -40.046 1.00 0.00 H new ATOM 1087 N GLN A 68 26.555 -6.958 -35.541 1.00 0.00 N ATOM 1088 CA GLN A 68 27.139 -6.626 -34.216 1.00 0.00 C ATOM 1089 C GLN A 68 26.017 -6.441 -33.188 1.00 0.00 C ATOM 1090 O GLN A 68 26.065 -6.986 -32.086 1.00 0.00 O ATOM 1091 CB GLN A 68 28.021 -5.338 -34.308 1.00 0.00 C ATOM 1092 CG GLN A 68 28.922 -5.022 -33.073 1.00 0.00 C ATOM 1093 CD GLN A 68 28.228 -4.321 -31.886 1.00 0.00 C ATOM 1094 OE1 GLN A 68 28.120 -3.101 -31.858 1.00 0.00 O ATOM 1095 NE2 GLN A 68 27.770 -5.081 -30.900 1.00 0.00 N ATOM 0 H GLN A 68 26.700 -6.236 -36.246 1.00 0.00 H new ATOM 0 HA GLN A 68 27.779 -7.448 -33.896 1.00 0.00 H new ATOM 0 HB2 GLN A 68 28.662 -5.426 -35.185 1.00 0.00 H new ATOM 0 HB3 GLN A 68 27.363 -4.485 -34.478 1.00 0.00 H new ATOM 0 HG2 GLN A 68 29.353 -5.957 -32.715 1.00 0.00 H new ATOM 0 HG3 GLN A 68 29.750 -4.396 -33.404 1.00 0.00 H new ATOM 0 HE21 GLN A 68 27.872 -6.095 -30.948 1.00 0.00 H new ATOM 0 HE22 GLN A 68 27.315 -4.652 -30.094 1.00 0.00 H new ATOM 1104 N LEU A 69 25.002 -5.682 -33.600 1.00 0.00 N ATOM 1105 CA LEU A 69 23.892 -5.258 -32.736 1.00 0.00 C ATOM 1106 C LEU A 69 22.957 -6.447 -32.416 1.00 0.00 C ATOM 1107 O LEU A 69 22.383 -6.521 -31.322 1.00 0.00 O ATOM 1108 CB LEU A 69 23.142 -4.097 -33.433 1.00 0.00 C ATOM 1109 CG LEU A 69 24.041 -2.906 -33.898 1.00 0.00 C ATOM 1110 CD1 LEU A 69 23.217 -1.821 -34.607 1.00 0.00 C ATOM 1111 CD2 LEU A 69 24.856 -2.317 -32.727 1.00 0.00 C ATOM 0 H LEU A 69 24.923 -5.337 -34.557 1.00 0.00 H new ATOM 0 HA LEU A 69 24.276 -4.904 -31.779 1.00 0.00 H new ATOM 0 HB2 LEU A 69 22.617 -4.495 -34.301 1.00 0.00 H new ATOM 0 HB3 LEU A 69 22.384 -3.714 -32.750 1.00 0.00 H new ATOM 0 HG LEU A 69 24.752 -3.303 -34.622 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.875 -1.009 -34.916 1.00 0.00 H new ATOM 0 HD12 LEU A 69 22.731 -2.248 -35.484 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.460 -1.435 -33.924 1.00 0.00 H new ATOM 0 HD21 LEU A 69 25.469 -1.491 -33.089 1.00 0.00 H new ATOM 0 HD22 LEU A 69 24.176 -1.953 -31.957 1.00 0.00 H new ATOM 0 HD23 LEU A 69 25.500 -3.090 -32.307 1.00 0.00 H new ATOM 1123 N ILE A 70 22.842 -7.393 -33.378 1.00 0.00 N ATOM 1124 CA ILE A 70 22.115 -8.665 -33.176 1.00 0.00 C ATOM 1125 C ILE A 70 22.866 -9.478 -32.118 1.00 0.00 C ATOM 1126 O ILE A 70 22.285 -9.912 -31.135 1.00 0.00 O ATOM 1127 CB ILE A 70 22.020 -9.543 -34.486 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.485 -8.723 -35.696 1.00 0.00 C ATOM 1129 CG2 ILE A 70 21.133 -10.797 -34.245 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.743 -9.351 -37.061 1.00 0.00 C ATOM 0 H ILE A 70 23.248 -7.296 -34.309 1.00 0.00 H new ATOM 0 HA ILE A 70 21.098 -8.415 -32.873 1.00 0.00 H new ATOM 0 HB ILE A 70 23.031 -9.870 -34.731 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.411 -8.582 -35.574 1.00 0.00 H new ATOM 0 HG13 ILE A 70 21.941 -7.733 -35.676 1.00 0.00 H new ATOM 0 HG21 ILE A 70 21.081 -11.387 -35.160 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.566 -11.401 -33.447 1.00 0.00 H new ATOM 0 HG23 ILE A 70 20.129 -10.483 -33.958 1.00 0.00 H new ATOM 0 HD11 ILE A 70 21.335 -8.708 -37.840 1.00 0.00 H new ATOM 0 HD12 ILE A 70 22.816 -9.467 -37.211 1.00 0.00 H new ATOM 0 HD13 ILE A 70 21.263 -10.328 -37.108 1.00 0.00 H new ATOM 1142 N ALA A 71 24.189 -9.629 -32.351 1.00 0.00 N ATOM 1143 CA ALA A 71 25.111 -10.375 -31.474 1.00 0.00 C ATOM 1144 C ALA A 71 25.056 -9.860 -30.032 1.00 0.00 C ATOM 1145 O ALA A 71 25.056 -10.641 -29.082 1.00 0.00 O ATOM 1146 CB ALA A 71 26.543 -10.289 -32.027 1.00 0.00 C ATOM 0 H ALA A 71 24.651 -9.228 -33.168 1.00 0.00 H new ATOM 0 HA ALA A 71 24.797 -11.419 -31.459 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.219 -10.842 -31.375 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.573 -10.719 -33.028 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.854 -9.245 -32.071 1.00 0.00 H new ATOM 1152 N ALA A 72 24.967 -8.536 -29.902 1.00 0.00 N ATOM 1153 CA ALA A 72 24.897 -7.858 -28.608 1.00 0.00 C ATOM 1154 C ALA A 72 23.569 -8.179 -27.888 1.00 0.00 C ATOM 1155 O ALA A 72 23.578 -8.569 -26.719 1.00 0.00 O ATOM 1156 CB ALA A 72 25.092 -6.351 -28.809 1.00 0.00 C ATOM 0 H ALA A 72 24.941 -7.899 -30.698 1.00 0.00 H new ATOM 0 HA ALA A 72 25.698 -8.223 -27.965 1.00 0.00 H new ATOM 0 HB1 ALA A 72 25.040 -5.846 -27.845 1.00 0.00 H new ATOM 0 HB2 ALA A 72 26.066 -6.167 -29.263 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.309 -5.967 -29.463 1.00 0.00 H new ATOM 1162 N TYR A 73 22.430 -8.056 -28.616 1.00 0.00 N ATOM 1163 CA TYR A 73 21.085 -8.370 -28.067 1.00 0.00 C ATOM 1164 C TYR A 73 20.958 -9.883 -27.741 1.00 0.00 C ATOM 1165 O TYR A 73 20.230 -10.265 -26.809 1.00 0.00 O ATOM 1166 CB TYR A 73 19.954 -7.925 -29.041 1.00 0.00 C ATOM 1167 CG TYR A 73 18.525 -8.008 -28.450 1.00 0.00 C ATOM 1168 CD1 TYR A 73 17.991 -6.949 -27.715 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.720 -9.144 -28.603 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.726 -7.018 -27.156 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.449 -9.214 -28.051 1.00 0.00 C ATOM 1172 CZ TYR A 73 15.957 -8.147 -27.329 1.00 0.00 C ATOM 1173 OH TYR A 73 14.695 -8.214 -26.774 1.00 0.00 O ATOM 0 H TYR A 73 22.416 -7.741 -29.586 1.00 0.00 H new ATOM 0 HA TYR A 73 20.971 -7.807 -27.141 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.145 -6.898 -29.354 1.00 0.00 H new ATOM 0 HB3 TYR A 73 19.999 -8.545 -29.937 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.579 -6.053 -27.579 1.00 0.00 H new ATOM 0 HD2 TYR A 73 18.098 -9.986 -29.164 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.342 -6.186 -26.584 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.847 -10.101 -28.186 1.00 0.00 H new ATOM 0 HH TYR A 73 14.173 -8.907 -27.230 1.00 0.00 H new ATOM 1183 N LYS A 74 21.685 -10.736 -28.505 1.00 0.00 N ATOM 1184 CA LYS A 74 21.672 -12.194 -28.291 1.00 0.00 C ATOM 1185 C LYS A 74 22.346 -12.519 -26.962 1.00 0.00 C ATOM 1186 O LYS A 74 21.688 -13.018 -26.060 1.00 0.00 O ATOM 1187 CB LYS A 74 22.351 -12.971 -29.459 1.00 0.00 C ATOM 1188 CG LYS A 74 21.535 -12.966 -30.760 1.00 0.00 C ATOM 1189 CD LYS A 74 22.040 -13.945 -31.853 1.00 0.00 C ATOM 1190 CE LYS A 74 23.357 -13.529 -32.534 1.00 0.00 C ATOM 1191 NZ LYS A 74 24.555 -13.782 -31.694 1.00 0.00 N ATOM 0 H LYS A 74 22.285 -10.434 -29.272 1.00 0.00 H new ATOM 0 HA LYS A 74 20.632 -12.520 -28.264 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.331 -12.534 -29.653 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.518 -14.003 -29.149 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.500 -13.212 -30.523 1.00 0.00 H new ATOM 0 HG3 LYS A 74 21.537 -11.956 -31.169 1.00 0.00 H new ATOM 0 HD2 LYS A 74 22.174 -14.930 -31.405 1.00 0.00 H new ATOM 0 HD3 LYS A 74 21.268 -14.045 -32.616 1.00 0.00 H new ATOM 0 HE2 LYS A 74 23.459 -14.071 -33.474 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.312 -12.468 -32.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 25.414 -13.577 -32.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 24.526 -13.168 -30.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 24.565 -14.778 -31.395 1.00 0.00 H new ATOM 1205 N ASP A 75 23.632 -12.138 -26.815 1.00 0.00 N ATOM 1206 CA ASP A 75 24.409 -12.393 -25.580 1.00 0.00 C ATOM 1207 C ASP A 75 23.752 -11.720 -24.357 1.00 0.00 C ATOM 1208 O ASP A 75 23.923 -12.181 -23.237 1.00 0.00 O ATOM 1209 CB ASP A 75 25.887 -11.940 -25.728 1.00 0.00 C ATOM 1210 CG ASP A 75 26.723 -12.858 -26.649 1.00 0.00 C ATOM 1211 OD1 ASP A 75 26.699 -12.670 -27.883 1.00 0.00 O ATOM 1212 OD2 ASP A 75 27.399 -13.785 -26.146 1.00 0.00 O ATOM 0 H ASP A 75 24.158 -11.650 -27.540 1.00 0.00 H new ATOM 0 HA ASP A 75 24.407 -13.471 -25.417 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.910 -10.924 -26.123 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.350 -11.909 -24.742 1.00 0.00 H new ATOM 1217 N PHE A 76 22.986 -10.650 -24.607 1.00 0.00 N ATOM 1218 CA PHE A 76 22.188 -9.951 -23.579 1.00 0.00 C ATOM 1219 C PHE A 76 21.093 -10.889 -22.994 1.00 0.00 C ATOM 1220 O PHE A 76 21.101 -11.230 -21.786 1.00 0.00 O ATOM 1221 CB PHE A 76 21.556 -8.685 -24.242 1.00 0.00 C ATOM 1222 CG PHE A 76 21.121 -7.582 -23.295 1.00 0.00 C ATOM 1223 CD1 PHE A 76 21.895 -7.265 -22.192 1.00 0.00 C ATOM 1224 CD2 PHE A 76 19.957 -6.841 -23.522 1.00 0.00 C ATOM 1225 CE1 PHE A 76 21.529 -6.261 -21.340 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.593 -5.826 -22.658 1.00 0.00 C ATOM 1227 CZ PHE A 76 20.382 -5.538 -21.566 1.00 0.00 C ATOM 0 H PHE A 76 22.899 -10.238 -25.536 1.00 0.00 H new ATOM 0 HA PHE A 76 22.824 -9.653 -22.745 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.278 -8.269 -24.944 1.00 0.00 H new ATOM 0 HB3 PHE A 76 20.690 -8.999 -24.824 1.00 0.00 H new ATOM 0 HD1 PHE A 76 22.802 -7.820 -22.002 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.338 -7.064 -24.379 1.00 0.00 H new ATOM 0 HE1 PHE A 76 22.146 -6.034 -20.483 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.691 -5.259 -22.838 1.00 0.00 H new ATOM 0 HZ PHE A 76 20.100 -4.746 -20.889 1.00 0.00 H new ATOM 1237 N CYS A 77 20.195 -11.346 -23.881 1.00 0.00 N ATOM 1238 CA CYS A 77 19.046 -12.193 -23.510 1.00 0.00 C ATOM 1239 C CYS A 77 19.491 -13.596 -23.040 1.00 0.00 C ATOM 1240 O CYS A 77 18.877 -14.173 -22.153 1.00 0.00 O ATOM 1241 CB CYS A 77 18.076 -12.301 -24.700 1.00 0.00 C ATOM 1242 SG CYS A 77 17.389 -10.715 -25.211 1.00 0.00 S ATOM 0 H CYS A 77 20.244 -11.139 -24.879 1.00 0.00 H new ATOM 0 HA CYS A 77 18.536 -11.722 -22.669 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.598 -12.751 -25.544 1.00 0.00 H new ATOM 0 HB3 CYS A 77 17.260 -12.973 -24.434 1.00 0.00 H new ATOM 0 HG CYS A 77 17.289 -10.683 -26.507 1.00 0.00 H new ATOM 1248 N GLU A 78 20.569 -14.124 -23.639 1.00 0.00 N ATOM 1249 CA GLU A 78 21.112 -15.463 -23.317 1.00 0.00 C ATOM 1250 C GLU A 78 21.832 -15.452 -21.958 1.00 0.00 C ATOM 1251 O GLU A 78 21.804 -16.451 -21.228 1.00 0.00 O ATOM 1252 CB GLU A 78 22.088 -15.934 -24.419 1.00 0.00 C ATOM 1253 CG GLU A 78 21.456 -16.090 -25.813 1.00 0.00 C ATOM 1254 CD GLU A 78 22.495 -16.421 -26.896 1.00 0.00 C ATOM 1255 OE1 GLU A 78 23.412 -15.607 -27.109 1.00 0.00 O ATOM 1256 OE2 GLU A 78 22.415 -17.499 -27.528 1.00 0.00 O ATOM 0 H GLU A 78 21.095 -13.636 -24.364 1.00 0.00 H new ATOM 0 HA GLU A 78 20.274 -16.157 -23.263 1.00 0.00 H new ATOM 0 HB2 GLU A 78 22.911 -15.222 -24.485 1.00 0.00 H new ATOM 0 HB3 GLU A 78 22.518 -16.890 -24.121 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.705 -16.879 -25.782 1.00 0.00 H new ATOM 0 HG3 GLU A 78 20.939 -15.168 -26.079 1.00 0.00 H new ATOM 1263 N HIS A 79 22.498 -14.321 -21.641 1.00 0.00 N ATOM 1264 CA HIS A 79 23.136 -14.116 -20.319 1.00 0.00 C ATOM 1265 C HIS A 79 22.059 -14.014 -19.230 1.00 0.00 C ATOM 1266 O HIS A 79 22.299 -14.394 -18.076 1.00 0.00 O ATOM 1267 CB HIS A 79 24.042 -12.854 -20.305 1.00 0.00 C ATOM 1268 CG HIS A 79 24.866 -12.670 -19.054 1.00 0.00 C ATOM 1269 ND1 HIS A 79 25.004 -11.459 -18.406 1.00 0.00 N ATOM 1270 CD2 HIS A 79 25.618 -13.555 -18.350 1.00 0.00 C ATOM 1271 CE1 HIS A 79 25.798 -11.607 -17.362 1.00 0.00 C ATOM 1272 NE2 HIS A 79 26.185 -12.865 -17.306 1.00 0.00 N ATOM 0 H HIS A 79 22.609 -13.535 -22.281 1.00 0.00 H new ATOM 0 HA HIS A 79 23.774 -14.977 -20.117 1.00 0.00 H new ATOM 0 HB2 HIS A 79 24.715 -12.900 -21.161 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.414 -11.974 -20.440 1.00 0.00 H new ATOM 0 HD2 HIS A 79 25.746 -14.605 -18.570 1.00 0.00 H new ATOM 0 HE1 HIS A 79 26.082 -10.828 -16.670 1.00 0.00 H new ATOM 0 HE2 HIS A 79 26.806 -13.263 -16.601 1.00 0.00 H new ATOM 1281 N GLY A 80 20.865 -13.518 -19.604 1.00 0.00 N ATOM 1282 CA GLY A 80 19.746 -13.453 -18.655 1.00 0.00 C ATOM 1283 C GLY A 80 19.556 -12.060 -18.103 1.00 0.00 C ATOM 1284 O GLY A 80 19.437 -11.884 -16.880 1.00 0.00 O ATOM 0 H GLY A 80 20.655 -13.164 -20.537 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.830 -13.775 -19.151 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.925 -14.147 -17.834 1.00 0.00 H new