USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 646 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 22 THR OG1 : rot -78:sc= 0.902 USER MOD Set 1.2: A 23 ASN : amide:sc= 0.435 K(o=1.3,f=-6.3!) USER MOD Single : A 10 SER OG : rot -26:sc= 0.158 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.341 USER MOD Single : A 15 SER OG : rot 132:sc= -0.577 USER MOD Single : A 16 ASN : amide:sc= -0.295 X(o=-0.3,f=-0.27) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0538 K(o=-0.054,f=-0.95!) USER MOD Single : A 27 TYR OH : rot -12:sc= -0.0132 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -124:sc= -0.875 (180deg=-2.75!) USER MOD Single : A 33 TYR OH : rot 165:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -74:sc= 0.212 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -1.21 K(o=-1.2,f=-5.6!) USER MOD Single : A 66 ASN : amide:sc= -0.0282 K(o=-0.028,f=-1) USER MOD Single : A 67 CYS SG : rot 81:sc= 0.284 USER MOD Single : A 68 THR OG1 : rot 64:sc= 0.605 USER MOD Single : A 72 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.092) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc=-0.000413 X(o=-0.00041,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 25:sc= 0.505 USER MOD ----------------------------------------------------------------- ATOM 184 N SER A 10 -0.946 11.787 2.002 1.00 0.00 N ATOM 185 CA SER A 10 -0.904 10.771 0.956 1.00 0.00 C ATOM 186 C SER A 10 -0.861 9.371 1.560 1.00 0.00 C ATOM 187 O SER A 10 -1.593 8.476 1.136 1.00 0.00 O ATOM 188 CB SER A 10 0.313 10.988 0.054 1.00 0.00 C ATOM 189 OG SER A 10 1.502 11.088 0.818 1.00 0.00 O ATOM 0 HA SER A 10 -1.811 10.862 0.358 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.399 10.162 -0.652 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.177 11.896 -0.534 1.00 0.00 H new ATOM 0 HG SER A 10 1.287 11.412 1.718 1.00 0.00 H new ATOM 195 N THR A 11 0.003 9.188 2.554 1.00 0.00 N ATOM 196 CA THR A 11 0.143 7.898 3.216 1.00 0.00 C ATOM 197 C THR A 11 -1.210 7.361 3.668 1.00 0.00 C ATOM 198 O THR A 11 -2.017 8.089 4.246 1.00 0.00 O ATOM 199 CB THR A 11 1.078 7.992 4.437 1.00 0.00 C ATOM 200 OG1 THR A 11 2.345 8.531 4.043 1.00 0.00 O ATOM 201 CG2 THR A 11 1.279 6.624 5.071 1.00 0.00 C ATOM 0 H THR A 11 0.616 9.918 2.918 1.00 0.00 H new ATOM 0 HA THR A 11 0.577 7.214 2.486 1.00 0.00 H new ATOM 0 HB THR A 11 0.615 8.651 5.172 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.933 8.589 4.825 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.943 6.715 5.931 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.317 6.229 5.396 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.722 5.946 4.341 1.00 0.00 H new ATOM 209 N VAL A 12 -1.454 6.082 3.400 1.00 0.00 N ATOM 210 CA VAL A 12 -2.710 5.446 3.780 1.00 0.00 C ATOM 211 C VAL A 12 -2.482 4.361 4.826 1.00 0.00 C ATOM 212 O VAL A 12 -1.769 3.388 4.581 1.00 0.00 O ATOM 213 CB VAL A 12 -3.418 4.828 2.560 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.707 4.140 2.983 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.692 5.892 1.508 1.00 0.00 C ATOM 0 H VAL A 12 -0.798 5.465 2.921 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.345 6.225 4.202 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.761 4.077 2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.194 3.709 2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.480 3.349 3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.373 4.868 3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.193 5.438 0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.330 6.667 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.750 6.334 1.184 1.00 0.00 H new ATOM 225 N TYR A 13 -3.092 4.534 5.993 1.00 0.00 N ATOM 226 CA TYR A 13 -2.954 3.570 7.078 1.00 0.00 C ATOM 227 C TYR A 13 -3.755 2.304 6.787 1.00 0.00 C ATOM 228 O TYR A 13 -4.974 2.275 6.955 1.00 0.00 O ATOM 229 CB TYR A 13 -3.417 4.188 8.399 1.00 0.00 C ATOM 230 CG TYR A 13 -2.992 3.400 9.618 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.356 2.067 9.770 1.00 0.00 C ATOM 232 CD2 TYR A 13 -2.226 3.988 10.617 1.00 0.00 C ATOM 233 CE1 TYR A 13 -2.970 1.344 10.882 1.00 0.00 C ATOM 234 CE2 TYR A 13 -1.835 3.272 11.732 1.00 0.00 C ATOM 235 CZ TYR A 13 -2.210 1.951 11.860 1.00 0.00 C ATOM 236 OH TYR A 13 -1.822 1.234 12.968 1.00 0.00 O ATOM 0 H TYR A 13 -3.687 5.333 6.212 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.901 3.301 7.160 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.021 5.201 8.475 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.504 4.270 8.391 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.951 1.589 9.006 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.931 5.022 10.520 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.262 0.309 10.985 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.239 3.744 12.499 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.291 1.808 13.559 1.00 0.00 H new ATOM 246 N VAL A 14 -3.059 1.259 6.350 1.00 0.00 N ATOM 247 CA VAL A 14 -3.703 -0.011 6.037 1.00 0.00 C ATOM 248 C VAL A 14 -3.338 -1.079 7.061 1.00 0.00 C ATOM 249 O VAL A 14 -2.161 -1.317 7.333 1.00 0.00 O ATOM 250 CB VAL A 14 -3.312 -0.507 4.632 1.00 0.00 C ATOM 251 CG1 VAL A 14 -4.243 -1.622 4.182 1.00 0.00 C ATOM 252 CG2 VAL A 14 -3.326 0.645 3.638 1.00 0.00 C ATOM 0 H VAL A 14 -2.049 1.267 6.205 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.779 0.164 6.066 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.299 -0.907 4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.952 -1.960 3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.178 -2.455 4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.268 -1.251 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.047 0.277 2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.326 1.077 3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.615 1.408 3.955 1.00 0.00 H new ATOM 262 N SER A 15 -4.355 -1.721 7.627 1.00 0.00 N ATOM 263 CA SER A 15 -4.142 -2.763 8.624 1.00 0.00 C ATOM 264 C SER A 15 -4.713 -4.096 8.149 1.00 0.00 C ATOM 265 O SER A 15 -5.433 -4.155 7.153 1.00 0.00 O ATOM 266 CB SER A 15 -4.786 -2.366 9.954 1.00 0.00 C ATOM 267 OG SER A 15 -6.142 -1.995 9.773 1.00 0.00 O ATOM 0 H SER A 15 -5.335 -1.538 7.412 1.00 0.00 H new ATOM 0 HA SER A 15 -3.068 -2.878 8.768 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.724 -3.199 10.655 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.234 -1.536 10.395 1.00 0.00 H new ATOM 0 HG SER A 15 -6.698 -2.452 10.438 1.00 0.00 H new ATOM 273 N ASN A 16 -4.384 -5.164 8.868 1.00 0.00 N ATOM 274 CA ASN A 16 -4.862 -6.497 8.520 1.00 0.00 C ATOM 275 C ASN A 16 -4.316 -6.934 7.164 1.00 0.00 C ATOM 276 O ASN A 16 -5.012 -7.584 6.383 1.00 0.00 O ATOM 277 CB ASN A 16 -6.392 -6.523 8.499 1.00 0.00 C ATOM 278 CG ASN A 16 -6.982 -6.906 9.843 1.00 0.00 C ATOM 279 OD1 ASN A 16 -6.869 -6.162 10.817 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.616 -8.071 9.900 1.00 0.00 N ATOM 0 H ASN A 16 -3.788 -5.132 9.695 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.504 -7.194 9.278 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.765 -5.541 8.208 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.730 -7.230 7.742 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.034 -8.382 10.777 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.685 -8.655 9.067 1.00 0.00 H new ATOM 287 N LEU A 17 -3.067 -6.573 6.891 1.00 0.00 N ATOM 288 CA LEU A 17 -2.427 -6.928 5.630 1.00 0.00 C ATOM 289 C LEU A 17 -1.669 -8.246 5.756 1.00 0.00 C ATOM 290 O LEU A 17 -1.055 -8.541 6.782 1.00 0.00 O ATOM 291 CB LEU A 17 -1.472 -5.817 5.190 1.00 0.00 C ATOM 292 CG LEU A 17 -2.122 -4.576 4.577 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.148 -3.409 4.574 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.609 -4.871 3.166 1.00 0.00 C ATOM 0 H LEU A 17 -2.478 -6.035 7.526 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.206 -7.049 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.886 -5.506 6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.773 -6.233 4.464 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.983 -4.302 5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.629 -2.535 4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.849 -3.182 5.597 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.267 -3.672 3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.069 -3.977 2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.765 -5.171 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.343 -5.677 3.195 1.00 0.00 H new ATOM 306 N PRO A 18 -1.709 -9.057 4.688 1.00 0.00 N ATOM 307 CA PRO A 18 -1.029 -10.355 4.654 1.00 0.00 C ATOM 308 C PRO A 18 0.489 -10.213 4.612 1.00 0.00 C ATOM 309 O PRO A 18 1.103 -10.324 3.550 1.00 0.00 O ATOM 310 CB PRO A 18 -1.543 -10.991 3.360 1.00 0.00 C ATOM 311 CG PRO A 18 -1.926 -9.838 2.498 1.00 0.00 C ATOM 312 CD PRO A 18 -2.421 -8.768 3.432 1.00 0.00 C ATOM 0 HA PRO A 18 -1.234 -10.946 5.546 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.774 -11.601 2.886 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.395 -11.643 3.551 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.074 -9.485 1.917 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.701 -10.123 1.786 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.190 -7.770 3.059 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.502 -8.817 3.562 1.00 0.00 H new ATOM 320 N PHE A 19 1.088 -9.968 5.772 1.00 0.00 N ATOM 321 CA PHE A 19 2.535 -9.811 5.867 1.00 0.00 C ATOM 322 C PHE A 19 3.251 -10.814 4.967 1.00 0.00 C ATOM 323 O PHE A 19 4.335 -10.539 4.453 1.00 0.00 O ATOM 324 CB PHE A 19 2.995 -9.989 7.316 1.00 0.00 C ATOM 325 CG PHE A 19 2.279 -11.093 8.040 1.00 0.00 C ATOM 326 CD1 PHE A 19 1.089 -10.846 8.704 1.00 0.00 C ATOM 327 CD2 PHE A 19 2.797 -12.378 8.057 1.00 0.00 C ATOM 328 CE1 PHE A 19 0.429 -11.860 9.372 1.00 0.00 C ATOM 329 CE2 PHE A 19 2.142 -13.397 8.723 1.00 0.00 C ATOM 330 CZ PHE A 19 0.955 -13.137 9.381 1.00 0.00 C ATOM 0 H PHE A 19 0.594 -9.874 6.660 1.00 0.00 H new ATOM 0 HA PHE A 19 2.789 -8.805 5.534 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.066 -10.193 7.327 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.843 -9.054 7.855 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.672 -9.850 8.700 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.724 -12.586 7.544 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.498 -11.654 9.887 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.557 -14.394 8.729 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.440 -13.931 9.901 1.00 0.00 H new ATOM 340 N SER A 20 2.637 -11.978 4.783 1.00 0.00 N ATOM 341 CA SER A 20 3.217 -13.025 3.949 1.00 0.00 C ATOM 342 C SER A 20 3.865 -12.430 2.702 1.00 0.00 C ATOM 343 O SER A 20 4.940 -12.859 2.282 1.00 0.00 O ATOM 344 CB SER A 20 2.144 -14.038 3.546 1.00 0.00 C ATOM 345 OG SER A 20 1.688 -14.772 4.669 1.00 0.00 O ATOM 0 H SER A 20 1.738 -12.220 5.200 1.00 0.00 H new ATOM 0 HA SER A 20 3.987 -13.533 4.530 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.305 -13.519 3.082 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.548 -14.722 2.800 1.00 0.00 H new ATOM 0 HG SER A 20 1.002 -15.411 4.385 1.00 0.00 H new ATOM 351 N LEU A 21 3.203 -11.438 2.116 1.00 0.00 N ATOM 352 CA LEU A 21 3.713 -10.782 0.917 1.00 0.00 C ATOM 353 C LEU A 21 4.953 -9.953 1.235 1.00 0.00 C ATOM 354 O LEU A 21 5.432 -9.942 2.369 1.00 0.00 O ATOM 355 CB LEU A 21 2.633 -9.891 0.301 1.00 0.00 C ATOM 356 CG LEU A 21 1.220 -10.475 0.266 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.231 -9.448 -0.263 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.186 -11.737 -0.583 1.00 0.00 C ATOM 0 H LEU A 21 2.313 -11.071 2.451 1.00 0.00 H new ATOM 0 HA LEU A 21 3.990 -11.555 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.603 -8.954 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.929 -9.648 -0.719 1.00 0.00 H new ATOM 0 HG LEU A 21 0.930 -10.737 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.769 -9.881 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.235 -8.571 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.517 -9.154 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.173 -12.139 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.496 -11.499 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.865 -12.478 -0.161 1.00 0.00 H new ATOM 370 N THR A 22 5.468 -9.257 0.226 1.00 0.00 N ATOM 371 CA THR A 22 6.651 -8.424 0.398 1.00 0.00 C ATOM 372 C THR A 22 6.423 -7.024 -0.161 1.00 0.00 C ATOM 373 O THR A 22 5.540 -6.813 -0.990 1.00 0.00 O ATOM 374 CB THR A 22 7.881 -9.045 -0.291 1.00 0.00 C ATOM 375 OG1 THR A 22 9.045 -8.257 -0.018 1.00 0.00 O ATOM 376 CG2 THR A 22 7.668 -9.142 -1.794 1.00 0.00 C ATOM 0 H THR A 22 5.084 -9.254 -0.719 1.00 0.00 H new ATOM 0 HA THR A 22 6.839 -8.359 1.470 1.00 0.00 H new ATOM 0 HB THR A 22 8.023 -10.051 0.105 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.046 -7.465 -0.595 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.550 -9.583 -2.259 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.799 -9.767 -1.999 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.503 -8.145 -2.203 1.00 0.00 H new ATOM 384 N ASN A 23 7.227 -6.070 0.298 1.00 0.00 N ATOM 385 CA ASN A 23 7.113 -4.689 -0.157 1.00 0.00 C ATOM 386 C ASN A 23 6.685 -4.632 -1.620 1.00 0.00 C ATOM 387 O ASN A 23 5.744 -3.924 -1.974 1.00 0.00 O ATOM 388 CB ASN A 23 8.445 -3.959 0.026 1.00 0.00 C ATOM 389 CG ASN A 23 9.552 -4.554 -0.823 1.00 0.00 C ATOM 390 OD1 ASN A 23 9.602 -5.766 -1.036 1.00 0.00 O ATOM 391 ND2 ASN A 23 10.447 -3.703 -1.310 1.00 0.00 N ATOM 0 H ASN A 23 7.964 -6.228 0.985 1.00 0.00 H new ATOM 0 HA ASN A 23 6.350 -4.195 0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.318 -2.908 -0.232 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.736 -3.997 1.076 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.216 -4.046 -1.887 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.366 -2.707 -1.108 1.00 0.00 H new ATOM 398 N ASN A 24 7.383 -5.384 -2.465 1.00 0.00 N ATOM 399 CA ASN A 24 7.075 -5.420 -3.890 1.00 0.00 C ATOM 400 C ASN A 24 5.595 -5.708 -4.120 1.00 0.00 C ATOM 401 O ASN A 24 4.937 -5.036 -4.914 1.00 0.00 O ATOM 402 CB ASN A 24 7.928 -6.479 -4.591 1.00 0.00 C ATOM 403 CG ASN A 24 8.060 -6.223 -6.080 1.00 0.00 C ATOM 404 OD1 ASN A 24 7.129 -5.738 -6.722 1.00 0.00 O ATOM 405 ND2 ASN A 24 9.222 -6.548 -6.635 1.00 0.00 N ATOM 0 H ASN A 24 8.166 -5.977 -2.188 1.00 0.00 H new ATOM 0 HA ASN A 24 7.305 -4.441 -4.311 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.920 -6.500 -4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.485 -7.462 -4.432 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.370 -6.398 -7.633 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.966 -6.948 -6.063 1.00 0.00 H new ATOM 412 N ASP A 25 5.078 -6.711 -3.419 1.00 0.00 N ATOM 413 CA ASP A 25 3.675 -7.089 -3.545 1.00 0.00 C ATOM 414 C ASP A 25 2.764 -5.899 -3.255 1.00 0.00 C ATOM 415 O ASP A 25 2.117 -5.365 -4.156 1.00 0.00 O ATOM 416 CB ASP A 25 3.347 -8.241 -2.595 1.00 0.00 C ATOM 417 CG ASP A 25 3.898 -9.567 -3.081 1.00 0.00 C ATOM 418 OD1 ASP A 25 3.795 -9.843 -4.295 1.00 0.00 O ATOM 419 OD2 ASP A 25 4.432 -10.330 -2.248 1.00 0.00 O ATOM 0 H ASP A 25 5.609 -7.277 -2.758 1.00 0.00 H new ATOM 0 HA ASP A 25 3.503 -7.415 -4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.754 -8.021 -1.608 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.266 -8.319 -2.483 1.00 0.00 H new ATOM 424 N LEU A 26 2.718 -5.491 -1.992 1.00 0.00 N ATOM 425 CA LEU A 26 1.886 -4.365 -1.582 1.00 0.00 C ATOM 426 C LEU A 26 1.975 -3.226 -2.592 1.00 0.00 C ATOM 427 O LEU A 26 0.956 -2.702 -3.044 1.00 0.00 O ATOM 428 CB LEU A 26 2.310 -3.869 -0.198 1.00 0.00 C ATOM 429 CG LEU A 26 2.175 -4.875 0.946 1.00 0.00 C ATOM 430 CD1 LEU A 26 2.799 -4.323 2.218 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.713 -5.228 1.176 1.00 0.00 C ATOM 0 H LEU A 26 3.247 -5.923 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 26 0.852 -4.707 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.350 -3.548 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.717 -2.988 0.048 1.00 0.00 H new ATOM 0 HG LEU A 26 2.708 -5.785 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.694 -5.052 3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.857 -4.122 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.295 -3.398 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.636 -5.945 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.157 -4.326 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.297 -5.666 0.269 1.00 0.00 H new ATOM 443 N TYR A 27 3.198 -2.848 -2.944 1.00 0.00 N ATOM 444 CA TYR A 27 3.420 -1.771 -3.901 1.00 0.00 C ATOM 445 C TYR A 27 2.402 -1.832 -5.035 1.00 0.00 C ATOM 446 O TYR A 27 1.724 -0.847 -5.329 1.00 0.00 O ATOM 447 CB TYR A 27 4.839 -1.850 -4.469 1.00 0.00 C ATOM 448 CG TYR A 27 5.138 -0.783 -5.498 1.00 0.00 C ATOM 449 CD1 TYR A 27 5.583 0.476 -5.114 1.00 0.00 C ATOM 450 CD2 TYR A 27 4.978 -1.035 -6.855 1.00 0.00 C ATOM 451 CE1 TYR A 27 5.857 1.453 -6.051 1.00 0.00 C ATOM 452 CE2 TYR A 27 5.251 -0.065 -7.799 1.00 0.00 C ATOM 453 CZ TYR A 27 5.690 1.178 -7.393 1.00 0.00 C ATOM 454 OH TYR A 27 5.964 2.148 -8.329 1.00 0.00 O ATOM 0 H TYR A 27 4.052 -3.272 -2.581 1.00 0.00 H new ATOM 0 HA TYR A 27 3.297 -0.823 -3.378 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.554 -1.765 -3.651 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.987 -2.831 -4.921 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.717 0.694 -4.065 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.634 -2.007 -7.177 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.200 2.427 -5.735 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.121 -0.278 -8.850 1.00 0.00 H new ATOM 0 HH TYR A 27 6.076 3.013 -7.881 1.00 0.00 H new ATOM 464 N ARG A 28 2.301 -2.996 -5.669 1.00 0.00 N ATOM 465 CA ARG A 28 1.366 -3.186 -6.772 1.00 0.00 C ATOM 466 C ARG A 28 -0.068 -3.281 -6.259 1.00 0.00 C ATOM 467 O ARG A 28 -0.955 -2.570 -6.732 1.00 0.00 O ATOM 468 CB ARG A 28 1.722 -4.449 -7.558 1.00 0.00 C ATOM 469 CG ARG A 28 3.119 -4.420 -8.158 1.00 0.00 C ATOM 470 CD ARG A 28 3.675 -5.823 -8.344 1.00 0.00 C ATOM 471 NE ARG A 28 2.849 -6.624 -9.244 1.00 0.00 N ATOM 472 CZ ARG A 28 3.224 -7.801 -9.732 1.00 0.00 C ATOM 473 NH1 ARG A 28 4.403 -8.312 -9.408 1.00 0.00 N ATOM 474 NH2 ARG A 28 2.417 -8.470 -10.546 1.00 0.00 N ATOM 0 H ARG A 28 2.855 -3.821 -5.438 1.00 0.00 H new ATOM 0 HA ARG A 28 1.441 -2.322 -7.432 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.637 -5.313 -6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.995 -4.586 -8.358 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.092 -3.908 -9.120 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.783 -3.847 -7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.689 -5.762 -8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.741 -6.318 -7.375 1.00 0.00 H new ATOM 0 HE ARG A 28 1.935 -6.260 -9.512 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.026 -7.801 -8.782 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.688 -9.216 -9.785 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.508 -8.080 -10.797 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.705 -9.374 -10.921 1.00 0.00 H new ATOM 488 N ILE A 29 -0.287 -4.164 -5.290 1.00 0.00 N ATOM 489 CA ILE A 29 -1.613 -4.351 -4.713 1.00 0.00 C ATOM 490 C ILE A 29 -2.321 -3.014 -4.519 1.00 0.00 C ATOM 491 O ILE A 29 -3.532 -2.907 -4.714 1.00 0.00 O ATOM 492 CB ILE A 29 -1.540 -5.082 -3.360 1.00 0.00 C ATOM 493 CG1 ILE A 29 -0.887 -6.455 -3.532 1.00 0.00 C ATOM 494 CG2 ILE A 29 -2.930 -5.221 -2.757 1.00 0.00 C ATOM 495 CD1 ILE A 29 -0.436 -7.078 -2.229 1.00 0.00 C ATOM 0 H ILE A 29 0.436 -4.761 -4.888 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.180 -4.961 -5.416 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.927 -4.493 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.594 -7.126 -4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.028 -6.359 -4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.862 -5.740 -1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.360 -4.231 -2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.565 -5.791 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.017 -8.049 -2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.295 -6.428 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.295 -7.206 -1.571 1.00 0.00 H new ATOM 507 N PHE A 30 -1.558 -1.997 -4.134 1.00 0.00 N ATOM 508 CA PHE A 30 -2.112 -0.666 -3.913 1.00 0.00 C ATOM 509 C PHE A 30 -2.010 0.182 -5.178 1.00 0.00 C ATOM 510 O PHE A 30 -2.767 1.135 -5.362 1.00 0.00 O ATOM 511 CB PHE A 30 -1.384 0.028 -2.760 1.00 0.00 C ATOM 512 CG PHE A 30 -1.751 -0.512 -1.408 1.00 0.00 C ATOM 513 CD1 PHE A 30 -2.893 -0.071 -0.759 1.00 0.00 C ATOM 514 CD2 PHE A 30 -0.955 -1.460 -0.786 1.00 0.00 C ATOM 515 CE1 PHE A 30 -3.233 -0.566 0.486 1.00 0.00 C ATOM 516 CE2 PHE A 30 -1.290 -1.958 0.459 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.431 -1.512 1.095 1.00 0.00 C ATOM 0 H PHE A 30 -0.554 -2.069 -3.968 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.165 -0.776 -3.654 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.309 -0.077 -2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.607 1.094 -2.789 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.524 0.667 -1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.062 -1.814 -1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.125 -0.214 0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.660 -2.695 0.934 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.696 -1.902 2.067 1.00 0.00 H new ATOM 527 N SER A 31 -1.068 -0.172 -6.046 1.00 0.00 N ATOM 528 CA SER A 31 -0.863 0.558 -7.292 1.00 0.00 C ATOM 529 C SER A 31 -2.125 0.536 -8.148 1.00 0.00 C ATOM 530 O SER A 31 -2.444 1.510 -8.831 1.00 0.00 O ATOM 531 CB SER A 31 0.307 -0.043 -8.073 1.00 0.00 C ATOM 532 OG SER A 31 0.875 0.910 -8.955 1.00 0.00 O ATOM 0 H SER A 31 -0.435 -0.960 -5.910 1.00 0.00 H new ATOM 0 HA SER A 31 -0.631 1.594 -7.044 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.068 -0.399 -7.378 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.036 -0.908 -8.640 1.00 0.00 H new ATOM 0 HG SER A 31 1.622 0.502 -9.441 1.00 0.00 H new ATOM 538 N LYS A 32 -2.841 -0.583 -8.108 1.00 0.00 N ATOM 539 CA LYS A 32 -4.070 -0.734 -8.878 1.00 0.00 C ATOM 540 C LYS A 32 -4.966 0.491 -8.719 1.00 0.00 C ATOM 541 O LYS A 32 -5.802 0.775 -9.576 1.00 0.00 O ATOM 542 CB LYS A 32 -4.822 -1.990 -8.435 1.00 0.00 C ATOM 543 CG LYS A 32 -5.472 -1.861 -7.068 1.00 0.00 C ATOM 544 CD LYS A 32 -6.546 -2.915 -6.859 1.00 0.00 C ATOM 545 CE LYS A 32 -7.768 -2.645 -7.723 1.00 0.00 C ATOM 546 NZ LYS A 32 -7.696 -3.363 -9.026 1.00 0.00 N ATOM 0 H LYS A 32 -2.591 -1.399 -7.550 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.801 -0.831 -9.930 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.590 -2.222 -9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.129 -2.832 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.712 -1.956 -6.292 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.910 -0.868 -6.965 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.142 -3.899 -7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.839 -2.935 -5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.666 -2.953 -7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.856 -1.574 -7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.789 -2.680 -9.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.782 -3.853 -9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.467 -4.058 -9.082 1.00 0.00 H new ATOM 560 N TYR A 33 -4.784 1.212 -7.618 1.00 0.00 N ATOM 561 CA TYR A 33 -5.577 2.405 -7.347 1.00 0.00 C ATOM 562 C TYR A 33 -4.799 3.668 -7.704 1.00 0.00 C ATOM 563 O TYR A 33 -5.216 4.446 -8.561 1.00 0.00 O ATOM 564 CB TYR A 33 -5.988 2.445 -5.874 1.00 0.00 C ATOM 565 CG TYR A 33 -6.733 1.210 -5.419 1.00 0.00 C ATOM 566 CD1 TYR A 33 -7.971 0.884 -5.958 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.197 0.369 -4.451 1.00 0.00 C ATOM 568 CE1 TYR A 33 -8.655 -0.243 -5.545 1.00 0.00 C ATOM 569 CE2 TYR A 33 -6.873 -0.760 -4.033 1.00 0.00 C ATOM 570 CZ TYR A 33 -8.102 -1.062 -4.582 1.00 0.00 C ATOM 571 OH TYR A 33 -8.779 -2.187 -4.169 1.00 0.00 O ATOM 0 H TYR A 33 -4.095 0.991 -6.899 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.473 2.364 -7.967 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.096 2.568 -5.260 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.615 3.320 -5.704 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.406 1.522 -6.713 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.235 0.603 -4.018 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.617 -0.482 -5.973 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.442 -1.403 -3.280 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.168 -2.775 -3.678 1.00 0.00 H new ATOM 581 N GLY A 34 -3.665 3.865 -7.039 1.00 0.00 N ATOM 582 CA GLY A 34 -2.846 5.034 -7.299 1.00 0.00 C ATOM 583 C GLY A 34 -1.364 4.716 -7.300 1.00 0.00 C ATOM 584 O GLY A 34 -0.907 3.848 -6.555 1.00 0.00 O ATOM 0 H GLY A 34 -3.299 3.236 -6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.123 5.461 -8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.051 5.793 -6.544 1.00 0.00 H new ATOM 588 N LYS A 35 -0.610 5.418 -8.139 1.00 0.00 N ATOM 589 CA LYS A 35 0.830 5.206 -8.235 1.00 0.00 C ATOM 590 C LYS A 35 1.482 5.268 -6.857 1.00 0.00 C ATOM 591 O LYS A 35 1.291 6.229 -6.112 1.00 0.00 O ATOM 592 CB LYS A 35 1.460 6.252 -9.157 1.00 0.00 C ATOM 593 CG LYS A 35 2.747 5.786 -9.815 1.00 0.00 C ATOM 594 CD LYS A 35 3.928 5.890 -8.866 1.00 0.00 C ATOM 595 CE LYS A 35 5.197 5.329 -9.490 1.00 0.00 C ATOM 596 NZ LYS A 35 6.422 5.928 -8.892 1.00 0.00 N ATOM 0 H LYS A 35 -0.972 6.139 -8.763 1.00 0.00 H new ATOM 0 HA LYS A 35 0.999 4.214 -8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.742 6.521 -9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.662 7.156 -8.583 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.635 4.753 -10.145 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.940 6.386 -10.704 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.086 6.933 -8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.705 5.350 -7.946 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.220 4.247 -9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.188 5.518 -10.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.265 5.519 -9.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.414 6.957 -9.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.445 5.726 -7.872 1.00 0.00 H new ATOM 610 N VAL A 36 2.254 4.238 -6.526 1.00 0.00 N ATOM 611 CA VAL A 36 2.936 4.177 -5.239 1.00 0.00 C ATOM 612 C VAL A 36 4.399 4.586 -5.373 1.00 0.00 C ATOM 613 O VAL A 36 5.073 4.214 -6.333 1.00 0.00 O ATOM 614 CB VAL A 36 2.863 2.763 -4.631 1.00 0.00 C ATOM 615 CG1 VAL A 36 3.618 2.710 -3.311 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.415 2.338 -4.444 1.00 0.00 C ATOM 0 H VAL A 36 2.423 3.435 -7.131 1.00 0.00 H new ATOM 0 HA VAL A 36 2.425 4.876 -4.576 1.00 0.00 H new ATOM 0 HB VAL A 36 3.336 2.064 -5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.556 1.704 -2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.663 2.969 -3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.177 3.419 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.382 1.337 -4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.914 3.037 -3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.909 2.335 -5.410 1.00 0.00 H new ATOM 626 N VAL A 37 4.884 5.353 -4.402 1.00 0.00 N ATOM 627 CA VAL A 37 6.268 5.812 -4.410 1.00 0.00 C ATOM 628 C VAL A 37 7.096 5.080 -3.360 1.00 0.00 C ATOM 629 O VAL A 37 8.231 4.678 -3.617 1.00 0.00 O ATOM 630 CB VAL A 37 6.358 7.328 -4.153 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.809 7.785 -4.155 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.548 8.093 -5.189 1.00 0.00 C ATOM 0 H VAL A 37 4.339 5.670 -3.600 1.00 0.00 H new ATOM 0 HA VAL A 37 6.668 5.594 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 37 5.938 7.538 -3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.853 8.859 -3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.357 7.261 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.259 7.563 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.623 9.162 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.936 7.879 -6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.504 7.786 -5.133 1.00 0.00 H new ATOM 642 N LYS A 38 6.520 4.909 -2.174 1.00 0.00 N ATOM 643 CA LYS A 38 7.203 4.223 -1.084 1.00 0.00 C ATOM 644 C LYS A 38 6.233 3.340 -0.304 1.00 0.00 C ATOM 645 O LYS A 38 5.071 3.697 -0.112 1.00 0.00 O ATOM 646 CB LYS A 38 7.853 5.240 -0.142 1.00 0.00 C ATOM 647 CG LYS A 38 9.192 5.758 -0.638 1.00 0.00 C ATOM 648 CD LYS A 38 10.345 4.932 -0.094 1.00 0.00 C ATOM 649 CE LYS A 38 10.311 3.508 -0.627 1.00 0.00 C ATOM 650 NZ LYS A 38 11.498 2.723 -0.187 1.00 0.00 N ATOM 0 H LYS A 38 5.582 5.236 -1.944 1.00 0.00 H new ATOM 0 HA LYS A 38 7.978 3.589 -1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.175 6.082 -0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.990 4.780 0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.210 5.737 -1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.315 6.798 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.290 5.401 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.300 4.915 0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.402 3.014 -0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.272 3.529 -1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.438 1.758 -0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.365 3.180 -0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.521 2.682 0.852 1.00 0.00 H new ATOM 664 N VAL A 39 6.719 2.187 0.144 1.00 0.00 N ATOM 665 CA VAL A 39 5.896 1.255 0.904 1.00 0.00 C ATOM 666 C VAL A 39 6.423 1.089 2.325 1.00 0.00 C ATOM 667 O VAL A 39 7.422 0.407 2.554 1.00 0.00 O ATOM 668 CB VAL A 39 5.840 -0.127 0.226 1.00 0.00 C ATOM 669 CG1 VAL A 39 5.016 -1.098 1.058 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.274 -0.006 -1.181 1.00 0.00 C ATOM 0 H VAL A 39 7.679 1.876 -0.006 1.00 0.00 H new ATOM 0 HA VAL A 39 4.891 1.676 0.938 1.00 0.00 H new ATOM 0 HB VAL A 39 6.855 -0.518 0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.988 -2.069 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.468 -1.207 2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.001 -0.716 1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.241 -0.991 -1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.266 0.407 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.909 0.654 -1.773 1.00 0.00 H new ATOM 680 N THR A 40 5.743 1.719 3.279 1.00 0.00 N ATOM 681 CA THR A 40 6.143 1.643 4.679 1.00 0.00 C ATOM 682 C THR A 40 5.352 0.570 5.419 1.00 0.00 C ATOM 683 O THR A 40 4.169 0.361 5.149 1.00 0.00 O ATOM 684 CB THR A 40 5.946 2.993 5.393 1.00 0.00 C ATOM 685 OG1 THR A 40 6.725 4.007 4.748 1.00 0.00 O ATOM 686 CG2 THR A 40 6.348 2.894 6.857 1.00 0.00 C ATOM 0 H THR A 40 4.913 2.287 3.107 1.00 0.00 H new ATOM 0 HA THR A 40 7.202 1.384 4.692 1.00 0.00 H new ATOM 0 HB THR A 40 4.890 3.257 5.339 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.593 4.863 5.207 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.200 3.859 7.341 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.734 2.142 7.353 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.398 2.610 6.928 1.00 0.00 H new ATOM 694 N ILE A 41 6.013 -0.108 6.352 1.00 0.00 N ATOM 695 CA ILE A 41 5.370 -1.158 7.131 1.00 0.00 C ATOM 696 C ILE A 41 5.655 -0.990 8.620 1.00 0.00 C ATOM 697 O ILE A 41 6.776 -0.673 9.016 1.00 0.00 O ATOM 698 CB ILE A 41 5.837 -2.556 6.685 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.497 -2.785 5.211 1.00 0.00 C ATOM 700 CG2 ILE A 41 5.199 -3.630 7.554 1.00 0.00 C ATOM 701 CD1 ILE A 41 6.058 -4.075 4.655 1.00 0.00 C ATOM 0 H ILE A 41 6.993 0.051 6.586 1.00 0.00 H new ATOM 0 HA ILE A 41 4.298 -1.069 6.956 1.00 0.00 H new ATOM 0 HB ILE A 41 6.919 -2.616 6.803 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.413 -2.789 5.093 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.879 -1.949 4.624 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.539 -4.612 7.226 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.486 -3.475 8.594 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.114 -3.573 7.465 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.778 -4.171 3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.145 -4.066 4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.656 -4.918 5.217 1.00 0.00 H new ATOM 713 N MET A 42 4.632 -1.208 9.441 1.00 0.00 N ATOM 714 CA MET A 42 4.774 -1.084 10.887 1.00 0.00 C ATOM 715 C MET A 42 5.226 -2.403 11.504 1.00 0.00 C ATOM 716 O MET A 42 4.791 -3.477 11.087 1.00 0.00 O ATOM 717 CB MET A 42 3.451 -0.640 11.514 1.00 0.00 C ATOM 718 CG MET A 42 2.775 0.497 10.766 1.00 0.00 C ATOM 719 SD MET A 42 3.906 1.849 10.387 1.00 0.00 S ATOM 720 CE MET A 42 4.035 2.641 11.988 1.00 0.00 C ATOM 0 H MET A 42 3.697 -1.471 9.130 1.00 0.00 H new ATOM 0 HA MET A 42 5.535 -0.330 11.089 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.773 -1.492 11.553 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.632 -0.330 12.543 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.349 0.114 9.839 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.947 0.878 11.364 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.703 3.499 11.917 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.048 2.975 12.309 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.432 1.931 12.714 1.00 0.00 H new ATOM 730 N LYS A 43 6.102 -2.316 12.499 1.00 0.00 N ATOM 731 CA LYS A 43 6.613 -3.503 13.175 1.00 0.00 C ATOM 732 C LYS A 43 6.604 -3.313 14.689 1.00 0.00 C ATOM 733 O LYS A 43 6.817 -2.207 15.187 1.00 0.00 O ATOM 734 CB LYS A 43 8.033 -3.815 12.698 1.00 0.00 C ATOM 735 CG LYS A 43 8.080 -4.566 11.379 1.00 0.00 C ATOM 736 CD LYS A 43 8.054 -3.614 10.194 1.00 0.00 C ATOM 737 CE LYS A 43 9.449 -3.118 9.848 1.00 0.00 C ATOM 738 NZ LYS A 43 10.220 -4.128 9.071 1.00 0.00 N ATOM 0 H LYS A 43 6.473 -1.435 12.856 1.00 0.00 H new ATOM 0 HA LYS A 43 5.961 -4.341 12.928 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.586 -2.881 12.595 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.542 -4.404 13.460 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.983 -5.175 11.338 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.232 -5.248 11.317 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.621 -4.118 9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.411 -2.764 10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.374 -2.196 9.271 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.987 -2.877 10.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.165 -3.752 8.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.314 -4.999 9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.720 -4.339 8.184 1.00 0.00 H new ATOM 752 N ASP A 44 6.358 -4.398 15.415 1.00 0.00 N ATOM 753 CA ASP A 44 6.325 -4.351 16.872 1.00 0.00 C ATOM 754 C ASP A 44 7.730 -4.477 17.453 1.00 0.00 C ATOM 755 O ASP A 44 8.689 -4.751 16.731 1.00 0.00 O ATOM 756 CB ASP A 44 5.432 -5.466 17.419 1.00 0.00 C ATOM 757 CG ASP A 44 5.213 -5.351 18.915 1.00 0.00 C ATOM 758 OD1 ASP A 44 5.221 -4.214 19.430 1.00 0.00 O ATOM 759 OD2 ASP A 44 5.033 -6.399 19.571 1.00 0.00 O ATOM 0 H ASP A 44 6.179 -5.320 15.018 1.00 0.00 H new ATOM 0 HA ASP A 44 5.914 -3.387 17.170 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.468 -5.438 16.910 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.883 -6.432 17.194 1.00 0.00 H new ATOM 764 N LYS A 45 7.844 -4.275 18.761 1.00 0.00 N ATOM 765 CA LYS A 45 9.132 -4.366 19.440 1.00 0.00 C ATOM 766 C LYS A 45 9.288 -5.716 20.131 1.00 0.00 C ATOM 767 O LYS A 45 10.352 -6.333 20.076 1.00 0.00 O ATOM 768 CB LYS A 45 9.272 -3.238 20.464 1.00 0.00 C ATOM 769 CG LYS A 45 10.713 -2.870 20.770 1.00 0.00 C ATOM 770 CD LYS A 45 11.298 -1.966 19.698 1.00 0.00 C ATOM 771 CE LYS A 45 12.818 -2.024 19.688 1.00 0.00 C ATOM 772 NZ LYS A 45 13.410 -0.904 18.905 1.00 0.00 N ATOM 0 H LYS A 45 7.060 -4.047 19.373 1.00 0.00 H new ATOM 0 HA LYS A 45 9.918 -4.268 18.691 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.751 -2.355 20.093 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.777 -3.535 21.389 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.764 -2.369 21.737 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.312 -3.777 20.849 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.915 -2.263 18.722 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.973 -0.940 19.869 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.190 -1.988 20.712 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.143 -2.975 19.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.447 -0.979 18.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.075 -0.953 17.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.121 0.003 19.324 1.00 0.00 H new ATOM 786 N ASP A 46 8.221 -6.171 20.779 1.00 0.00 N ATOM 787 CA ASP A 46 8.240 -7.451 21.479 1.00 0.00 C ATOM 788 C ASP A 46 8.130 -8.610 20.493 1.00 0.00 C ATOM 789 O ASP A 46 9.005 -9.476 20.436 1.00 0.00 O ATOM 790 CB ASP A 46 7.097 -7.518 22.493 1.00 0.00 C ATOM 791 CG ASP A 46 7.286 -6.547 23.642 1.00 0.00 C ATOM 792 OD1 ASP A 46 8.259 -6.714 24.406 1.00 0.00 O ATOM 793 OD2 ASP A 46 6.459 -5.620 23.778 1.00 0.00 O ATOM 0 H ASP A 46 7.333 -5.673 20.834 1.00 0.00 H new ATOM 0 HA ASP A 46 9.190 -7.535 22.007 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.155 -7.302 21.989 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.023 -8.532 22.886 1.00 0.00 H new ATOM 798 N THR A 47 7.049 -8.623 19.719 1.00 0.00 N ATOM 799 CA THR A 47 6.824 -9.677 18.739 1.00 0.00 C ATOM 800 C THR A 47 7.724 -9.497 17.521 1.00 0.00 C ATOM 801 O THR A 47 8.079 -10.466 16.851 1.00 0.00 O ATOM 802 CB THR A 47 5.355 -9.710 18.276 1.00 0.00 C ATOM 803 OG1 THR A 47 4.988 -8.442 17.720 1.00 0.00 O ATOM 804 CG2 THR A 47 4.430 -10.047 19.436 1.00 0.00 C ATOM 0 H THR A 47 6.316 -7.915 19.752 1.00 0.00 H new ATOM 0 HA THR A 47 7.064 -10.620 19.229 1.00 0.00 H new ATOM 0 HB THR A 47 5.254 -10.483 17.514 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.880 -7.787 18.441 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.398 -10.065 19.085 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.693 -11.025 19.839 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.535 -9.293 20.216 1.00 0.00 H new ATOM 812 N ARG A 48 8.091 -8.250 17.242 1.00 0.00 N ATOM 813 CA ARG A 48 8.949 -7.944 16.104 1.00 0.00 C ATOM 814 C ARG A 48 8.329 -8.446 14.804 1.00 0.00 C ATOM 815 O ARG A 48 9.004 -9.063 13.979 1.00 0.00 O ATOM 816 CB ARG A 48 10.332 -8.570 16.298 1.00 0.00 C ATOM 817 CG ARG A 48 11.081 -8.030 17.505 1.00 0.00 C ATOM 818 CD ARG A 48 11.570 -6.609 17.267 1.00 0.00 C ATOM 819 NE ARG A 48 12.592 -6.549 16.226 1.00 0.00 N ATOM 820 CZ ARG A 48 12.847 -5.461 15.509 1.00 0.00 C ATOM 821 NH1 ARG A 48 12.158 -4.348 15.718 1.00 0.00 N ATOM 822 NH2 ARG A 48 13.794 -5.484 14.579 1.00 0.00 N ATOM 0 H ARG A 48 7.808 -7.436 17.788 1.00 0.00 H new ATOM 0 HA ARG A 48 9.053 -6.861 16.041 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.221 -9.649 16.403 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.929 -8.396 15.403 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.429 -8.050 18.378 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.930 -8.676 17.727 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.727 -5.978 16.984 1.00 0.00 H new ATOM 0 HD3 ARG A 48 11.974 -6.204 18.195 1.00 0.00 H new ATOM 0 HE ARG A 48 13.140 -7.389 16.039 1.00 0.00 H new ATOM 0 HH11 ARG A 48 11.429 -4.326 16.431 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.356 -3.514 15.165 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.327 -6.338 14.415 1.00 0.00 H new ATOM 0 HH22 ARG A 48 13.989 -4.648 14.029 1.00 0.00 H new ATOM 836 N LYS A 49 7.040 -8.178 14.627 1.00 0.00 N ATOM 837 CA LYS A 49 6.327 -8.601 13.427 1.00 0.00 C ATOM 838 C LYS A 49 5.561 -7.436 12.810 1.00 0.00 C ATOM 839 O LYS A 49 5.376 -6.397 13.444 1.00 0.00 O ATOM 840 CB LYS A 49 5.362 -9.742 13.758 1.00 0.00 C ATOM 841 CG LYS A 49 6.043 -10.961 14.355 1.00 0.00 C ATOM 842 CD LYS A 49 6.985 -11.617 13.359 1.00 0.00 C ATOM 843 CE LYS A 49 6.219 -12.311 12.242 1.00 0.00 C ATOM 844 NZ LYS A 49 7.131 -12.831 11.185 1.00 0.00 N ATOM 0 H LYS A 49 6.467 -7.669 15.300 1.00 0.00 H new ATOM 0 HA LYS A 49 7.062 -8.953 12.703 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.609 -9.378 14.457 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.837 -10.038 12.850 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.600 -10.668 15.245 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.289 -11.681 14.673 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.648 -10.864 12.934 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.615 -12.342 13.875 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.637 -13.134 12.657 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.510 -11.612 11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.572 -13.297 10.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.668 -12.042 10.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.791 -13.517 11.603 1.00 0.00 H new ATOM 858 N SER A 50 5.118 -7.616 11.570 1.00 0.00 N ATOM 859 CA SER A 50 4.374 -6.578 10.866 1.00 0.00 C ATOM 860 C SER A 50 2.985 -6.398 11.473 1.00 0.00 C ATOM 861 O SER A 50 2.503 -5.276 11.629 1.00 0.00 O ATOM 862 CB SER A 50 4.252 -6.926 9.381 1.00 0.00 C ATOM 863 OG SER A 50 3.449 -5.978 8.699 1.00 0.00 O ATOM 0 H SER A 50 5.261 -8.471 11.032 1.00 0.00 H new ATOM 0 HA SER A 50 4.921 -5.641 10.969 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.244 -6.959 8.929 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.819 -7.920 9.272 1.00 0.00 H new ATOM 0 HG SER A 50 3.388 -6.222 7.752 1.00 0.00 H new ATOM 869 N LYS A 51 2.347 -7.513 11.813 1.00 0.00 N ATOM 870 CA LYS A 51 1.014 -7.482 12.404 1.00 0.00 C ATOM 871 C LYS A 51 0.001 -6.887 11.432 1.00 0.00 C ATOM 872 O LYS A 51 -1.030 -6.355 11.842 1.00 0.00 O ATOM 873 CB LYS A 51 1.029 -6.670 13.702 1.00 0.00 C ATOM 874 CG LYS A 51 1.998 -7.204 14.742 1.00 0.00 C ATOM 875 CD LYS A 51 2.023 -6.327 15.983 1.00 0.00 C ATOM 876 CE LYS A 51 0.763 -6.507 16.817 1.00 0.00 C ATOM 877 NZ LYS A 51 0.841 -7.714 17.686 1.00 0.00 N ATOM 0 H LYS A 51 2.732 -8.450 11.689 1.00 0.00 H new ATOM 0 HA LYS A 51 0.718 -8.507 12.626 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.289 -5.637 13.471 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.025 -6.659 14.125 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.713 -8.219 15.018 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.999 -7.259 14.314 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.898 -6.572 16.586 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.120 -5.282 15.690 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.608 -5.623 17.436 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.101 -6.590 16.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.036 -7.802 18.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.964 -8.560 17.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.650 -7.624 18.333 1.00 0.00 H new ATOM 891 N GLY A 52 0.302 -6.981 10.140 1.00 0.00 N ATOM 892 CA GLY A 52 -0.594 -6.449 9.129 1.00 0.00 C ATOM 893 C GLY A 52 -0.496 -4.942 9.004 1.00 0.00 C ATOM 894 O GLY A 52 -0.561 -4.398 7.901 1.00 0.00 O ATOM 0 H GLY A 52 1.150 -7.416 9.776 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.364 -6.906 8.167 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.619 -6.724 9.375 1.00 0.00 H new ATOM 898 N VAL A 53 -0.342 -4.264 10.137 1.00 0.00 N ATOM 899 CA VAL A 53 -0.236 -2.810 10.149 1.00 0.00 C ATOM 900 C VAL A 53 0.860 -2.331 9.205 1.00 0.00 C ATOM 901 O VAL A 53 2.045 -2.562 9.444 1.00 0.00 O ATOM 902 CB VAL A 53 0.055 -2.281 11.566 1.00 0.00 C ATOM 903 CG1 VAL A 53 -0.146 -0.774 11.625 1.00 0.00 C ATOM 904 CG2 VAL A 53 -0.825 -2.985 12.588 1.00 0.00 C ATOM 0 H VAL A 53 -0.288 -4.698 11.058 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.197 -2.420 9.813 1.00 0.00 H new ATOM 0 HB VAL A 53 1.096 -2.494 11.808 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.064 -0.418 12.634 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.530 -0.289 10.921 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.176 -0.534 11.363 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.606 -2.599 13.584 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.874 -2.805 12.351 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.627 -4.056 12.562 1.00 0.00 H new ATOM 914 N ALA A 54 0.457 -1.661 8.130 1.00 0.00 N ATOM 915 CA ALA A 54 1.405 -1.146 7.150 1.00 0.00 C ATOM 916 C ALA A 54 0.948 0.201 6.599 1.00 0.00 C ATOM 917 O ALA A 54 -0.249 0.466 6.493 1.00 0.00 O ATOM 918 CB ALA A 54 1.589 -2.146 6.018 1.00 0.00 C ATOM 0 H ALA A 54 -0.520 -1.462 7.916 1.00 0.00 H new ATOM 0 HA ALA A 54 2.362 -0.999 7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.300 -1.748 5.293 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.968 -3.085 6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.631 -2.322 5.528 1.00 0.00 H new ATOM 924 N PHE A 55 1.910 1.049 6.252 1.00 0.00 N ATOM 925 CA PHE A 55 1.607 2.370 5.714 1.00 0.00 C ATOM 926 C PHE A 55 1.981 2.455 4.237 1.00 0.00 C ATOM 927 O PHE A 55 3.133 2.229 3.864 1.00 0.00 O ATOM 928 CB PHE A 55 2.352 3.449 6.503 1.00 0.00 C ATOM 929 CG PHE A 55 1.748 3.730 7.850 1.00 0.00 C ATOM 930 CD1 PHE A 55 1.422 2.693 8.708 1.00 0.00 C ATOM 931 CD2 PHE A 55 1.508 5.032 8.257 1.00 0.00 C ATOM 932 CE1 PHE A 55 0.867 2.948 9.948 1.00 0.00 C ATOM 933 CE2 PHE A 55 0.953 5.294 9.496 1.00 0.00 C ATOM 934 CZ PHE A 55 0.631 4.251 10.342 1.00 0.00 C ATOM 0 H PHE A 55 2.906 0.845 6.334 1.00 0.00 H new ATOM 0 HA PHE A 55 0.534 2.536 5.809 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.389 3.140 6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.366 4.370 5.920 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.604 1.673 8.405 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.757 5.852 7.599 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.618 2.130 10.608 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.771 6.314 9.802 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.196 4.453 11.309 1.00 0.00 H new ATOM 944 N ILE A 56 1.001 2.782 3.402 1.00 0.00 N ATOM 945 CA ILE A 56 1.227 2.898 1.967 1.00 0.00 C ATOM 946 C ILE A 56 1.395 4.355 1.552 1.00 0.00 C ATOM 947 O ILE A 56 0.479 5.165 1.706 1.00 0.00 O ATOM 948 CB ILE A 56 0.069 2.277 1.163 1.00 0.00 C ATOM 949 CG1 ILE A 56 -0.116 0.807 1.546 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.329 2.412 -0.330 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.096 -0.050 1.256 1.00 0.00 C ATOM 0 H ILE A 56 0.042 2.971 3.695 1.00 0.00 H new ATOM 0 HA ILE A 56 2.145 2.353 1.747 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.849 2.814 1.402 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.350 0.743 2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.973 0.404 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.498 1.969 -0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.416 3.467 -0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.255 1.897 -0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.893 -1.079 1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.318 -0.017 0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.951 0.327 1.817 1.00 0.00 H new ATOM 963 N LEU A 57 2.569 4.683 1.025 1.00 0.00 N ATOM 964 CA LEU A 57 2.857 6.044 0.585 1.00 0.00 C ATOM 965 C LEU A 57 2.425 6.252 -0.863 1.00 0.00 C ATOM 966 O LEU A 57 2.938 5.602 -1.774 1.00 0.00 O ATOM 967 CB LEU A 57 4.350 6.343 0.732 1.00 0.00 C ATOM 968 CG LEU A 57 4.736 7.822 0.787 1.00 0.00 C ATOM 969 CD1 LEU A 57 6.208 7.976 1.138 1.00 0.00 C ATOM 970 CD2 LEU A 57 4.428 8.503 -0.538 1.00 0.00 C ATOM 0 H LEU A 57 3.337 4.025 0.892 1.00 0.00 H new ATOM 0 HA LEU A 57 2.291 6.730 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.709 5.860 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.877 5.881 -0.103 1.00 0.00 H new ATOM 0 HG LEU A 57 4.145 8.304 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.465 9.035 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.399 7.524 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.816 7.480 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.709 9.555 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.992 8.020 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.362 8.423 -0.749 1.00 0.00 H new ATOM 982 N PHE A 58 1.480 7.163 -1.068 1.00 0.00 N ATOM 983 CA PHE A 58 0.979 7.457 -2.406 1.00 0.00 C ATOM 984 C PHE A 58 1.586 8.751 -2.941 1.00 0.00 C ATOM 985 O PHE A 58 2.152 9.543 -2.186 1.00 0.00 O ATOM 986 CB PHE A 58 -0.547 7.565 -2.390 1.00 0.00 C ATOM 987 CG PHE A 58 -1.241 6.235 -2.313 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.490 5.639 -1.087 1.00 0.00 C ATOM 989 CD2 PHE A 58 -1.644 5.581 -3.466 1.00 0.00 C ATOM 990 CE1 PHE A 58 -2.127 4.415 -1.014 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.282 4.357 -3.399 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.525 3.773 -2.171 1.00 0.00 C ATOM 0 H PHE A 58 1.046 7.711 -0.325 1.00 0.00 H new ATOM 0 HA PHE A 58 1.271 6.639 -3.064 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.851 8.174 -1.539 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.876 8.086 -3.289 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.183 6.136 -0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.457 6.033 -4.429 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.314 3.960 -0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.590 3.858 -4.306 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.025 2.817 -2.115 1.00 0.00 H new ATOM 1002 N LEU A 59 1.464 8.959 -4.247 1.00 0.00 N ATOM 1003 CA LEU A 59 2.000 10.156 -4.885 1.00 0.00 C ATOM 1004 C LEU A 59 1.012 11.314 -4.787 1.00 0.00 C ATOM 1005 O LEU A 59 1.400 12.454 -4.528 1.00 0.00 O ATOM 1006 CB LEU A 59 2.328 9.873 -6.352 1.00 0.00 C ATOM 1007 CG LEU A 59 3.063 10.985 -7.102 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.497 11.103 -6.611 1.00 0.00 C ATOM 1009 CD2 LEU A 59 3.030 10.727 -8.602 1.00 0.00 C ATOM 0 H LEU A 59 0.998 8.314 -4.885 1.00 0.00 H new ATOM 0 HA LEU A 59 2.914 10.438 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.934 8.968 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.397 9.662 -6.878 1.00 0.00 H new ATOM 0 HG LEU A 59 2.555 11.929 -6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.004 11.899 -7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.499 11.334 -5.546 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.018 10.160 -6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.557 11.528 -9.121 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.514 9.774 -8.818 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.995 10.694 -8.943 1.00 0.00 H new ATOM 1021 N ASP A 60 -0.265 11.014 -4.994 1.00 0.00 N ATOM 1022 CA ASP A 60 -1.309 12.029 -4.926 1.00 0.00 C ATOM 1023 C ASP A 60 -2.369 11.651 -3.896 1.00 0.00 C ATOM 1024 O ASP A 60 -2.901 10.541 -3.916 1.00 0.00 O ATOM 1025 CB ASP A 60 -1.958 12.217 -6.298 1.00 0.00 C ATOM 1026 CG ASP A 60 -3.325 12.868 -6.209 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -3.582 13.570 -5.209 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -4.137 12.673 -7.138 1.00 0.00 O ATOM 0 H ASP A 60 -0.602 10.076 -5.210 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.848 12.968 -4.619 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.308 12.829 -6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.052 11.248 -6.788 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.670 12.580 -2.996 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.666 12.345 -1.957 1.00 0.00 C ATOM 1035 C LYS A 61 -4.988 11.888 -2.564 1.00 0.00 C ATOM 1036 O LYS A 61 -5.582 10.907 -2.115 1.00 0.00 O ATOM 1037 CB LYS A 61 -3.884 13.617 -1.134 1.00 0.00 C ATOM 1038 CG LYS A 61 -4.971 13.482 -0.082 1.00 0.00 C ATOM 1039 CD LYS A 61 -6.332 13.873 -0.633 1.00 0.00 C ATOM 1040 CE LYS A 61 -6.546 15.377 -0.574 1.00 0.00 C ATOM 1041 NZ LYS A 61 -7.081 15.811 0.746 1.00 0.00 N ATOM 0 H LYS A 61 -2.238 13.504 -2.965 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.294 11.556 -1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.948 13.888 -0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.141 14.435 -1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.005 12.454 0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.730 14.111 0.775 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.420 13.532 -1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.114 13.371 -0.064 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.602 15.886 -0.768 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.237 15.676 -1.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.213 16.843 0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.994 15.345 0.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.410 15.548 1.496 1.00 0.00 H new ATOM 1055 N ASP A 62 -5.443 12.603 -3.587 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.694 12.268 -4.258 1.00 0.00 C ATOM 1057 C ASP A 62 -6.755 10.779 -4.582 1.00 0.00 C ATOM 1058 O ASP A 62 -7.817 10.160 -4.507 1.00 0.00 O ATOM 1059 CB ASP A 62 -6.845 13.088 -5.540 1.00 0.00 C ATOM 1060 CG ASP A 62 -7.564 14.402 -5.305 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -8.813 14.401 -5.294 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -6.879 15.432 -5.134 1.00 0.00 O ATOM 0 H ASP A 62 -4.964 13.418 -3.970 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.515 12.508 -3.583 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.859 13.287 -5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.394 12.504 -6.279 1.00 0.00 H new ATOM 1067 N SER A 63 -5.610 10.209 -4.944 1.00 0.00 N ATOM 1068 CA SER A 63 -5.534 8.793 -5.284 1.00 0.00 C ATOM 1069 C SER A 63 -5.689 7.926 -4.038 1.00 0.00 C ATOM 1070 O SER A 63 -6.469 6.974 -4.025 1.00 0.00 O ATOM 1071 CB SER A 63 -4.204 8.483 -5.973 1.00 0.00 C ATOM 1072 OG SER A 63 -4.157 9.052 -7.270 1.00 0.00 O ATOM 0 H SER A 63 -4.722 10.706 -5.009 1.00 0.00 H new ATOM 0 HA SER A 63 -6.351 8.564 -5.968 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.381 8.870 -5.373 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.069 7.404 -6.041 1.00 0.00 H new ATOM 0 HG SER A 63 -3.296 8.841 -7.689 1.00 0.00 H new ATOM 1078 N ALA A 64 -4.941 8.263 -2.993 1.00 0.00 N ATOM 1079 CA ALA A 64 -4.996 7.518 -1.742 1.00 0.00 C ATOM 1080 C ALA A 64 -6.433 7.370 -1.254 1.00 0.00 C ATOM 1081 O ALA A 64 -6.873 6.270 -0.919 1.00 0.00 O ATOM 1082 CB ALA A 64 -4.145 8.202 -0.682 1.00 0.00 C ATOM 0 H ALA A 64 -4.289 9.048 -2.988 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.597 6.520 -1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.196 7.634 0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.110 8.251 -1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.519 9.212 -0.511 1.00 0.00 H new ATOM 1088 N GLN A 65 -7.158 8.483 -1.216 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.546 8.475 -0.767 1.00 0.00 C ATOM 1090 C GLN A 65 -9.338 7.375 -1.466 1.00 0.00 C ATOM 1091 O GLN A 65 -10.043 6.600 -0.821 1.00 0.00 O ATOM 1092 CB GLN A 65 -9.196 9.834 -1.030 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.779 10.910 -0.041 1.00 0.00 C ATOM 1094 CD GLN A 65 -9.350 10.683 1.345 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -9.630 9.549 1.735 1.00 0.00 O ATOM 1096 NE2 GLN A 65 -9.526 11.763 2.097 1.00 0.00 N ATOM 0 H GLN A 65 -6.808 9.401 -1.490 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.554 8.277 0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.941 10.160 -2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.280 9.722 -0.996 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.691 10.941 0.019 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.105 11.883 -0.409 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.280 12.684 1.733 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.907 11.672 3.039 1.00 0.00 H new ATOM 1105 N ASN A 66 -9.217 7.314 -2.788 1.00 0.00 N ATOM 1106 CA ASN A 66 -9.923 6.309 -3.575 1.00 0.00 C ATOM 1107 C ASN A 66 -9.674 4.910 -3.019 1.00 0.00 C ATOM 1108 O ASN A 66 -10.608 4.129 -2.835 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.482 6.375 -5.038 1.00 0.00 C ATOM 1110 CG ASN A 66 -10.447 5.662 -5.965 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -11.392 5.013 -5.516 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -10.213 5.780 -7.267 1.00 0.00 N ATOM 0 H ASN A 66 -8.637 7.948 -3.337 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.991 6.520 -3.515 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.394 7.418 -5.342 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.492 5.930 -5.137 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.829 5.323 -7.939 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.418 6.328 -7.595 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.410 4.601 -2.754 1.00 0.00 N ATOM 1120 CA CYS A 67 -8.037 3.296 -2.219 1.00 0.00 C ATOM 1121 C CYS A 67 -8.563 3.121 -0.799 1.00 0.00 C ATOM 1122 O CYS A 67 -9.050 2.050 -0.432 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.517 3.129 -2.238 1.00 0.00 C ATOM 1124 SG CYS A 67 -5.942 1.541 -1.594 1.00 0.00 S ATOM 0 H CYS A 67 -7.626 5.236 -2.901 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.486 2.530 -2.850 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.162 3.244 -3.262 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.067 3.931 -1.653 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.058 0.631 -2.515 1.00 0.00 H new ATOM 1130 N THR A 68 -8.461 4.179 0.000 1.00 0.00 N ATOM 1131 CA THR A 68 -8.923 4.141 1.382 1.00 0.00 C ATOM 1132 C THR A 68 -10.393 3.746 1.459 1.00 0.00 C ATOM 1133 O THR A 68 -10.906 3.433 2.534 1.00 0.00 O ATOM 1134 CB THR A 68 -8.732 5.503 2.075 1.00 0.00 C ATOM 1135 OG1 THR A 68 -7.452 6.050 1.738 1.00 0.00 O ATOM 1136 CG2 THR A 68 -8.847 5.362 3.585 1.00 0.00 C ATOM 0 H THR A 68 -8.062 5.073 -0.287 1.00 0.00 H new ATOM 0 HA THR A 68 -8.321 3.392 1.897 1.00 0.00 H new ATOM 0 HB THR A 68 -9.516 6.175 1.728 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.416 6.228 0.775 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.709 6.337 4.053 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.833 4.974 3.840 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.082 4.674 3.946 1.00 0.00 H new ATOM 1144 N ARG A 69 -11.066 3.761 0.313 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.479 3.404 0.252 1.00 0.00 C ATOM 1146 C ARG A 69 -12.680 2.113 -0.537 1.00 0.00 C ATOM 1147 O ARG A 69 -13.649 1.387 -0.321 1.00 0.00 O ATOM 1148 CB ARG A 69 -13.285 4.536 -0.388 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.756 4.203 -0.579 1.00 0.00 C ATOM 1150 CD ARG A 69 -15.011 3.572 -1.939 1.00 0.00 C ATOM 1151 NE ARG A 69 -16.403 3.159 -2.098 1.00 0.00 N ATOM 1152 CZ ARG A 69 -16.796 2.206 -2.936 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -15.906 1.571 -3.687 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -18.081 1.886 -3.024 1.00 0.00 N ATOM 0 H ARG A 69 -10.656 4.016 -0.585 1.00 0.00 H new ATOM 0 HA ARG A 69 -12.833 3.246 1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.201 5.427 0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.848 4.780 -1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -15.081 3.521 0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.352 5.110 -0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.752 4.284 -2.723 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.360 2.707 -2.065 1.00 0.00 H new ATOM 0 HE ARG A 69 -17.112 3.628 -1.535 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.918 1.814 -3.622 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -16.210 0.840 -4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -18.768 2.372 -2.448 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -18.381 1.154 -3.668 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.757 1.835 -1.452 1.00 0.00 N ATOM 1169 CA ALA A 70 -11.832 0.632 -2.271 1.00 0.00 C ATOM 1170 C ALA A 70 -11.545 -0.616 -1.442 1.00 0.00 C ATOM 1171 O ALA A 70 -12.263 -1.612 -1.535 1.00 0.00 O ATOM 1172 CB ALA A 70 -10.861 0.727 -3.439 1.00 0.00 C ATOM 0 H ALA A 70 -10.949 2.427 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.846 0.551 -2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.928 -0.178 -4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.114 1.591 -4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.845 0.836 -3.060 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.492 -0.554 -0.634 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.111 -1.679 0.210 1.00 0.00 C ATOM 1180 C ILE A 71 -10.835 -1.629 1.552 1.00 0.00 C ATOM 1181 O ILE A 71 -11.050 -2.657 2.191 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.592 -1.707 0.460 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.174 -0.518 1.327 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -7.838 -1.698 -0.861 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.773 -0.639 1.884 1.00 0.00 C ATOM 0 H ILE A 71 -9.888 0.263 -0.546 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.400 -2.585 -0.323 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.343 -2.625 0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.243 0.395 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.877 -0.416 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.765 -1.718 -0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.118 -2.574 -1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.090 -0.795 -1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.545 0.239 2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.704 -1.534 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.060 -0.710 1.063 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.209 -0.424 1.971 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.910 -0.239 3.237 1.00 0.00 C ATOM 1199 C ASN A 72 -13.167 -1.102 3.293 1.00 0.00 C ATOM 1200 O ASN A 72 -13.844 -1.297 2.285 1.00 0.00 O ATOM 1201 CB ASN A 72 -12.279 1.233 3.428 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.467 1.416 4.354 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -13.308 1.547 5.567 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -14.666 1.425 3.783 1.00 0.00 N ATOM 0 H ASN A 72 -11.039 0.438 1.453 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.243 -0.547 4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.421 1.770 3.832 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.506 1.677 2.459 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.502 1.544 4.355 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.751 1.313 2.773 1.00 0.00 H new ATOM 1211 N ASN A 73 -13.473 -1.615 4.480 1.00 0.00 N ATOM 1212 CA ASN A 73 -14.649 -2.457 4.669 1.00 0.00 C ATOM 1213 C ASN A 73 -14.654 -3.615 3.675 1.00 0.00 C ATOM 1214 O ASN A 73 -15.704 -4.007 3.167 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.925 -1.629 4.511 1.00 0.00 C ATOM 1216 CG ASN A 73 -16.206 -0.763 5.724 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -15.338 -0.567 6.575 1.00 0.00 O ATOM 1218 ND2 ASN A 73 -17.423 -0.239 5.807 1.00 0.00 N ATOM 0 H ASN A 73 -12.923 -1.463 5.325 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.613 -2.868 5.678 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.837 -0.996 3.628 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.770 -2.297 4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.670 0.353 6.600 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -18.111 -0.429 5.078 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.473 -4.160 3.403 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.340 -5.274 2.473 1.00 0.00 C ATOM 1227 C LYS A 74 -12.199 -6.197 2.889 1.00 0.00 C ATOM 1228 O LYS A 74 -11.046 -5.775 2.969 1.00 0.00 O ATOM 1229 CB LYS A 74 -13.097 -4.754 1.054 1.00 0.00 C ATOM 1230 CG LYS A 74 -14.373 -4.530 0.261 1.00 0.00 C ATOM 1231 CD LYS A 74 -15.026 -5.846 -0.127 1.00 0.00 C ATOM 1232 CE LYS A 74 -14.521 -6.342 -1.473 1.00 0.00 C ATOM 1233 NZ LYS A 74 -15.345 -7.468 -1.994 1.00 0.00 N ATOM 0 H LYS A 74 -12.594 -3.847 3.814 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.270 -5.843 2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.544 -3.816 1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.467 -5.464 0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.071 -3.937 0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.148 -3.955 -0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.821 -6.595 0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.108 -5.719 -0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.533 -5.521 -2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.485 -6.665 -1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.969 -7.778 -2.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.314 -8.261 -1.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.329 -7.153 -2.112 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.530 -7.457 3.151 1.00 0.00 N ATOM 1248 CA GLN A 75 -11.532 -8.439 3.558 1.00 0.00 C ATOM 1249 C GLN A 75 -10.705 -8.903 2.363 1.00 0.00 C ATOM 1250 O GLN A 75 -11.229 -9.077 1.263 1.00 0.00 O ATOM 1251 CB GLN A 75 -12.208 -9.640 4.222 1.00 0.00 C ATOM 1252 CG GLN A 75 -13.512 -10.049 3.555 1.00 0.00 C ATOM 1253 CD GLN A 75 -14.028 -11.385 4.052 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -14.310 -11.552 5.239 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -14.155 -12.346 3.145 1.00 0.00 N ATOM 0 H GLN A 75 -13.481 -7.822 3.089 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.864 -7.964 4.276 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.521 -10.486 4.208 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.403 -9.404 5.268 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.265 -9.282 3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.364 -10.100 2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.910 -12.164 2.172 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.498 -13.266 3.421 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.410 -9.099 2.587 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.510 -9.542 1.528 1.00 0.00 C ATOM 1266 C LEU A 76 -7.569 -10.631 2.034 1.00 0.00 C ATOM 1267 O LEU A 76 -6.921 -10.475 3.070 1.00 0.00 O ATOM 1268 CB LEU A 76 -7.699 -8.360 0.994 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.472 -7.343 0.153 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.257 -6.397 1.049 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.523 -6.563 -0.745 1.00 0.00 C ATOM 0 H LEU A 76 -8.960 -8.958 3.492 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.114 -9.955 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.254 -7.838 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.878 -8.750 0.393 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.177 -7.883 -0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.801 -5.680 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.964 -6.968 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.570 -5.863 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.090 -5.844 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.794 -6.034 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.004 -7.252 -1.412 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.497 -11.734 1.295 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.634 -12.849 1.668 1.00 0.00 C ATOM 1285 C PHE A 77 -7.061 -13.443 3.007 1.00 0.00 C ATOM 1286 O PHE A 77 -6.236 -13.958 3.761 1.00 0.00 O ATOM 1287 CB PHE A 77 -5.176 -12.390 1.742 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.555 -12.147 0.397 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.716 -10.930 -0.246 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.809 -13.135 -0.226 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -4.146 -10.704 -1.484 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -3.236 -12.915 -1.464 1.00 0.00 C ATOM 1293 CZ PHE A 77 -3.404 -11.697 -2.094 1.00 0.00 C ATOM 0 H PHE A 77 -8.026 -11.879 0.435 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.727 -13.620 0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.121 -11.473 2.329 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.593 -13.143 2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.294 -10.149 0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.674 -14.089 0.262 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.280 -9.751 -1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.658 -13.694 -1.938 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.956 -11.522 -3.061 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.356 -13.367 3.295 1.00 0.00 N ATOM 1304 CA GLY A 78 -8.871 -13.900 4.543 1.00 0.00 C ATOM 1305 C GLY A 78 -8.520 -13.030 5.734 1.00 0.00 C ATOM 1306 O GLY A 78 -7.935 -13.505 6.707 1.00 0.00 O ATOM 0 H GLY A 78 -9.058 -12.946 2.687 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.955 -13.996 4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.472 -14.902 4.699 1.00 0.00 H new ATOM 1310 N ARG A 79 -8.876 -11.752 5.657 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.593 -10.813 6.735 1.00 0.00 C ATOM 1312 C ARG A 79 -9.212 -9.449 6.446 1.00 0.00 C ATOM 1313 O ARG A 79 -8.863 -8.792 5.464 1.00 0.00 O ATOM 1314 CB ARG A 79 -7.082 -10.669 6.930 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.292 -10.728 5.633 1.00 0.00 C ATOM 1316 CD ARG A 79 -4.827 -11.044 5.887 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.617 -12.457 6.195 1.00 0.00 N ATOM 1318 CZ ARG A 79 -3.576 -12.912 6.883 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -2.655 -12.071 7.332 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -3.455 -14.211 7.123 1.00 0.00 N ATOM 0 H ARG A 79 -9.361 -11.343 4.858 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.035 -11.206 7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.877 -9.721 7.427 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.733 -11.460 7.594 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.721 -11.487 4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.375 -9.774 5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.240 -10.773 5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.463 -10.435 6.714 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.308 -13.131 5.864 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.745 -11.071 7.149 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.857 -12.423 7.860 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.162 -14.861 6.779 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.655 -14.560 7.651 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.133 -9.028 7.306 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.801 -7.742 7.144 1.00 0.00 C ATOM 1336 C VAL A 80 -9.795 -6.597 7.144 1.00 0.00 C ATOM 1337 O VAL A 80 -9.313 -6.181 8.198 1.00 0.00 O ATOM 1338 CB VAL A 80 -11.836 -7.502 8.259 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.513 -6.152 8.078 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -12.864 -8.624 8.282 1.00 0.00 C ATOM 0 H VAL A 80 -10.434 -9.559 8.123 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.314 -7.771 6.183 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.317 -7.496 9.217 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.241 -6.000 8.875 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.764 -5.361 8.115 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.020 -6.126 7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.588 -8.438 9.076 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.380 -8.664 7.323 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.362 -9.574 8.464 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.482 -6.091 5.956 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.535 -4.992 5.820 1.00 0.00 C ATOM 1352 C ILE A 81 -9.207 -3.649 6.085 1.00 0.00 C ATOM 1353 O ILE A 81 -10.237 -3.329 5.491 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.900 -4.966 4.417 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -7.087 -6.240 4.177 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -7.023 -3.734 4.254 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -6.071 -6.109 3.065 1.00 0.00 C ATOM 0 H ILE A 81 -9.871 -6.425 5.074 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.754 -5.157 6.562 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.697 -4.921 3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.572 -6.511 5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.769 -7.057 3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.582 -3.731 3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.628 -2.837 4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.230 -3.750 5.002 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.532 -7.050 2.952 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.581 -5.868 2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.366 -5.314 3.308 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.618 -2.866 6.982 1.00 0.00 N ATOM 1370 CA LYS A 82 -9.157 -1.555 7.326 1.00 0.00 C ATOM 1371 C LYS A 82 -8.284 -0.441 6.757 1.00 0.00 C ATOM 1372 O LYS A 82 -7.057 -0.498 6.841 1.00 0.00 O ATOM 1373 CB LYS A 82 -9.266 -1.408 8.845 1.00 0.00 C ATOM 1374 CG LYS A 82 -10.543 -1.993 9.423 1.00 0.00 C ATOM 1375 CD LYS A 82 -10.500 -3.512 9.445 1.00 0.00 C ATOM 1376 CE LYS A 82 -9.714 -4.031 10.638 1.00 0.00 C ATOM 1377 NZ LYS A 82 -10.527 -4.021 11.886 1.00 0.00 N ATOM 0 H LYS A 82 -7.766 -3.116 7.485 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.151 -1.472 6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.410 -1.895 9.311 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.211 -0.351 9.104 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.691 -1.618 10.436 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.397 -1.661 8.832 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.516 -3.905 9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.047 -3.877 8.523 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.374 -5.046 10.435 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.823 -3.419 10.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.955 -4.382 12.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.831 -3.048 12.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.364 -4.625 11.760 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.924 0.570 6.181 1.00 0.00 N ATOM 1392 CA ALA A 83 -8.205 1.699 5.602 1.00 0.00 C ATOM 1393 C ALA A 83 -8.602 3.007 6.278 1.00 0.00 C ATOM 1394 O ALA A 83 -9.785 3.275 6.488 1.00 0.00 O ATOM 1395 CB ALA A 83 -8.462 1.777 4.105 1.00 0.00 C ATOM 0 H ALA A 83 -9.939 0.631 6.102 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.139 1.543 5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.919 2.624 3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.122 0.857 3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.529 1.905 3.925 1.00 0.00 H new ATOM 1401 N SER A 84 -7.605 3.819 6.617 1.00 0.00 N ATOM 1402 CA SER A 84 -7.850 5.098 7.273 1.00 0.00 C ATOM 1403 C SER A 84 -6.709 6.073 7.005 1.00 0.00 C ATOM 1404 O SER A 84 -5.536 5.734 7.169 1.00 0.00 O ATOM 1405 CB SER A 84 -8.022 4.897 8.780 1.00 0.00 C ATOM 1406 OG SER A 84 -9.349 4.515 9.096 1.00 0.00 O ATOM 0 H SER A 84 -6.620 3.614 6.448 1.00 0.00 H new ATOM 0 HA SER A 84 -8.768 5.519 6.863 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.327 4.133 9.130 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.771 5.819 9.304 1.00 0.00 H new ATOM 0 HG SER A 84 -9.757 4.078 8.320 1.00 0.00 H new ATOM 1412 N ILE A 85 -7.060 7.287 6.593 1.00 0.00 N ATOM 1413 CA ILE A 85 -6.066 8.312 6.303 1.00 0.00 C ATOM 1414 C ILE A 85 -5.129 8.520 7.488 1.00 0.00 C ATOM 1415 O ILE A 85 -5.551 8.471 8.643 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.730 9.656 5.948 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.494 9.538 4.627 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.685 10.758 5.865 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -6.626 9.113 3.463 1.00 0.00 C ATOM 0 H ILE A 85 -8.026 7.584 6.453 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.492 7.961 5.445 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.439 9.914 6.735 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.304 8.818 4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.954 10.499 4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.170 11.701 5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.181 10.854 6.827 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.954 10.509 5.095 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.233 9.050 2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.831 9.844 3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.187 8.138 3.674 1.00 0.00 H new ATOM 1431 N ALA A 86 -3.854 8.753 7.193 1.00 0.00 N ATOM 1432 CA ALA A 86 -2.857 8.972 8.234 1.00 0.00 C ATOM 1433 C ALA A 86 -2.287 10.384 8.159 1.00 0.00 C ATOM 1434 O ALA A 86 -1.338 10.642 7.417 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.742 7.943 8.121 1.00 0.00 C ATOM 0 H ALA A 86 -3.487 8.795 6.242 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.346 8.857 9.202 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.004 8.118 8.904 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.158 6.942 8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.263 8.031 7.146 1.00 0.00 H new