USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 513 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 62 THR OG1 : rot 180:sc= 0.00232 USER MOD Set 1.2: A 65 LYS NZ :NH3+ -159:sc= -0.451 (180deg=-1.02) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= -2.94 USER MOD Single : A 22 MET CE :methyl -162:sc= -10.2! (180deg=-12.1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 30:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 1.13 K(o=1.1,f=-0.033) USER MOD Single : A 29 ASN : amide:sc=-0.00861 K(o=-0.0086,f=-3.5!) USER MOD Single : A 30 GLN : amide:sc= 0.0752 X(o=0.075,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.683 K(o=0.68,f=-0.49) USER MOD Single : A 44 CYS SG : rot 180:sc= -2.07 USER MOD Single : A 45 ASN : amide:sc= 0.294 K(o=0.29,f=-9.5!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.412 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0168 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 72 ASN : amide:sc= -0.0327 K(o=-0.033,f=-1.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 166 N TRP A 14 11.138 -10.635 -1.643 1.00 0.00 N ATOM 167 CA TRP A 14 10.225 -11.374 -2.508 1.00 0.00 C ATOM 168 C TRP A 14 10.804 -11.523 -3.911 1.00 0.00 C ATOM 169 O TRP A 14 11.295 -10.557 -4.495 1.00 0.00 O ATOM 170 CB TRP A 14 8.869 -10.669 -2.575 1.00 0.00 C ATOM 171 CG TRP A 14 7.971 -10.997 -1.420 1.00 0.00 C ATOM 172 CD1 TRP A 14 7.538 -10.140 -0.450 1.00 0.00 C ATOM 173 CD2 TRP A 14 7.399 -12.274 -1.116 1.00 0.00 C ATOM 174 NE1 TRP A 14 6.731 -10.807 0.440 1.00 0.00 N ATOM 175 CE2 TRP A 14 6.629 -12.117 0.053 1.00 0.00 C ATOM 176 CE3 TRP A 14 7.460 -13.533 -1.718 1.00 0.00 C ATOM 177 CZ2 TRP A 14 5.928 -13.172 0.630 1.00 0.00 C ATOM 178 CZ3 TRP A 14 6.764 -14.580 -1.144 1.00 0.00 C ATOM 179 CH2 TRP A 14 6.006 -14.395 0.020 1.00 0.00 C ATOM 0 HA TRP A 14 10.089 -12.369 -2.084 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.029 -9.591 -2.607 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.370 -10.945 -3.504 1.00 0.00 H new ATOM 0 HD1 TRP A 14 7.792 -9.092 -0.391 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.281 -10.394 1.257 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.041 -13.685 -2.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.343 -13.031 1.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 6.805 -15.558 -1.601 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.473 -15.233 0.444 1.00 0.00 H new ATOM 190 N ARG A 15 10.743 -12.738 -4.446 1.00 0.00 N ATOM 191 CA ARG A 15 11.263 -13.012 -5.780 1.00 0.00 C ATOM 192 C ARG A 15 10.158 -12.907 -6.827 1.00 0.00 C ATOM 193 O ARG A 15 8.984 -13.129 -6.530 1.00 0.00 O ATOM 194 CB ARG A 15 11.895 -14.404 -5.829 1.00 0.00 C ATOM 195 CG ARG A 15 12.983 -14.615 -4.789 1.00 0.00 C ATOM 196 CD ARG A 15 14.344 -14.180 -5.309 1.00 0.00 C ATOM 197 NE ARG A 15 14.728 -14.911 -6.514 1.00 0.00 N ATOM 198 CZ ARG A 15 15.153 -16.169 -6.505 1.00 0.00 C ATOM 199 NH1 ARG A 15 15.247 -16.833 -5.362 1.00 0.00 N ATOM 200 NH2 ARG A 15 15.485 -16.767 -7.643 1.00 0.00 N ATOM 0 H ARG A 15 10.339 -13.548 -3.976 1.00 0.00 H new ATOM 0 HA ARG A 15 12.025 -12.266 -6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.116 -15.153 -5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.316 -14.568 -6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.740 -14.052 -3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.019 -15.667 -4.508 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.326 -13.111 -5.523 1.00 0.00 H new ATOM 0 HD3 ARG A 15 15.095 -14.337 -4.535 1.00 0.00 H new ATOM 0 HE ARG A 15 14.666 -14.429 -7.411 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.992 -16.378 -4.485 1.00 0.00 H new ATOM 0 HH12 ARG A 15 15.574 -17.799 -5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 15 15.414 -16.260 -8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 15 15.811 -17.733 -7.635 1.00 0.00 H new ATOM 214 N LYS A 16 10.541 -12.566 -8.052 1.00 0.00 N ATOM 215 CA LYS A 16 9.584 -12.431 -9.144 1.00 0.00 C ATOM 216 C LYS A 16 8.800 -13.725 -9.343 1.00 0.00 C ATOM 217 O LYS A 16 7.638 -13.700 -9.748 1.00 0.00 O ATOM 218 CB LYS A 16 10.306 -12.057 -10.440 1.00 0.00 C ATOM 219 CG LYS A 16 9.368 -11.681 -11.573 1.00 0.00 C ATOM 220 CD LYS A 16 9.020 -10.202 -11.542 1.00 0.00 C ATOM 221 CE LYS A 16 8.426 -9.741 -12.864 1.00 0.00 C ATOM 222 NZ LYS A 16 7.088 -10.346 -13.113 1.00 0.00 N ATOM 0 H LYS A 16 11.509 -12.378 -8.314 1.00 0.00 H new ATOM 0 HA LYS A 16 8.884 -11.638 -8.883 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.978 -11.221 -10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.925 -12.896 -10.756 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.833 -11.926 -12.528 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.455 -12.272 -11.502 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.310 -10.011 -10.737 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.916 -9.621 -11.322 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.339 -8.655 -12.863 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.101 -10.006 -13.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.718 -10.007 -14.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.175 -11.382 -13.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.436 -10.072 -12.350 1.00 0.00 H new ATOM 236 N GLU A 17 9.442 -14.852 -9.052 1.00 0.00 N ATOM 237 CA GLU A 17 8.803 -16.154 -9.199 1.00 0.00 C ATOM 238 C GLU A 17 7.703 -16.340 -8.158 1.00 0.00 C ATOM 239 O GLU A 17 6.601 -16.789 -8.477 1.00 0.00 O ATOM 240 CB GLU A 17 9.839 -17.273 -9.068 1.00 0.00 C ATOM 241 CG GLU A 17 11.071 -17.066 -9.934 1.00 0.00 C ATOM 242 CD GLU A 17 10.897 -17.617 -11.336 1.00 0.00 C ATOM 243 OE1 GLU A 17 10.316 -16.909 -12.185 1.00 0.00 O ATOM 244 OE2 GLU A 17 11.343 -18.757 -11.584 1.00 0.00 O ATOM 0 H GLU A 17 10.403 -14.889 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 17 8.353 -16.200 -10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.147 -17.351 -8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.373 -18.221 -9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.296 -16.001 -9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.928 -17.547 -9.462 1.00 0.00 H new ATOM 251 N CYS A 18 8.010 -15.994 -6.913 1.00 0.00 N ATOM 252 CA CYS A 18 7.049 -16.124 -5.824 1.00 0.00 C ATOM 253 C CYS A 18 5.964 -15.056 -5.926 1.00 0.00 C ATOM 254 O CYS A 18 4.841 -15.250 -5.458 1.00 0.00 O ATOM 255 CB CYS A 18 7.759 -16.019 -4.474 1.00 0.00 C ATOM 256 SG CYS A 18 9.283 -16.986 -4.364 1.00 0.00 S ATOM 0 H CYS A 18 8.917 -15.621 -6.633 1.00 0.00 H new ATOM 0 HA CYS A 18 6.578 -17.104 -5.903 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.991 -14.972 -4.278 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.076 -16.347 -3.690 1.00 0.00 H new ATOM 0 HG CYS A 18 9.811 -16.831 -3.186 1.00 0.00 H new ATOM 262 N LEU A 19 6.307 -13.929 -6.539 1.00 0.00 N ATOM 263 CA LEU A 19 5.363 -12.828 -6.701 1.00 0.00 C ATOM 264 C LEU A 19 4.330 -13.151 -7.776 1.00 0.00 C ATOM 265 O LEU A 19 3.160 -12.792 -7.654 1.00 0.00 O ATOM 266 CB LEU A 19 6.107 -11.541 -7.062 1.00 0.00 C ATOM 267 CG LEU A 19 6.903 -10.887 -5.932 1.00 0.00 C ATOM 268 CD1 LEU A 19 7.435 -9.531 -6.370 1.00 0.00 C ATOM 269 CD2 LEU A 19 6.042 -10.746 -4.685 1.00 0.00 C ATOM 0 H LEU A 19 7.232 -13.753 -6.932 1.00 0.00 H new ATOM 0 HA LEU A 19 4.842 -12.685 -5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.791 -11.758 -7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.382 -10.818 -7.434 1.00 0.00 H new ATOM 0 HG LEU A 19 7.752 -11.528 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.999 -9.080 -5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.087 -9.658 -7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.601 -8.882 -6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.625 -10.279 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.174 -10.127 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.710 -11.732 -4.359 1.00 0.00 H new ATOM 281 N ALA A 20 4.772 -13.833 -8.828 1.00 0.00 N ATOM 282 CA ALA A 20 3.885 -14.208 -9.922 1.00 0.00 C ATOM 283 C ALA A 20 2.867 -15.249 -9.472 1.00 0.00 C ATOM 284 O ALA A 20 1.702 -15.204 -9.867 1.00 0.00 O ATOM 285 CB ALA A 20 4.693 -14.732 -11.100 1.00 0.00 C ATOM 0 H ALA A 20 5.739 -14.137 -8.945 1.00 0.00 H new ATOM 0 HA ALA A 20 3.340 -13.318 -10.236 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.018 -15.008 -11.910 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.377 -13.957 -11.446 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.264 -15.607 -10.789 1.00 0.00 H new ATOM 291 N VAL A 21 3.314 -16.187 -8.643 1.00 0.00 N ATOM 292 CA VAL A 21 2.441 -17.240 -8.138 1.00 0.00 C ATOM 293 C VAL A 21 1.427 -16.684 -7.144 1.00 0.00 C ATOM 294 O VAL A 21 0.270 -17.102 -7.123 1.00 0.00 O ATOM 295 CB VAL A 21 3.249 -18.361 -7.457 1.00 0.00 C ATOM 296 CG1 VAL A 21 2.323 -19.461 -6.961 1.00 0.00 C ATOM 297 CG2 VAL A 21 4.292 -18.921 -8.413 1.00 0.00 C ATOM 0 H VAL A 21 4.276 -16.239 -8.307 1.00 0.00 H new ATOM 0 HA VAL A 21 1.914 -17.653 -8.998 1.00 0.00 H new ATOM 0 HB VAL A 21 3.767 -17.940 -6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.912 -20.244 -6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.618 -19.046 -6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.775 -19.882 -7.804 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.854 -19.712 -7.916 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.796 -19.327 -9.295 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.974 -18.126 -8.714 1.00 0.00 H new ATOM 307 N MET A 22 1.870 -15.739 -6.322 1.00 0.00 N ATOM 308 CA MET A 22 1.001 -15.124 -5.326 1.00 0.00 C ATOM 309 C MET A 22 -0.175 -14.417 -5.993 1.00 0.00 C ATOM 310 O MET A 22 -1.304 -14.481 -5.507 1.00 0.00 O ATOM 311 CB MET A 22 1.790 -14.129 -4.472 1.00 0.00 C ATOM 312 CG MET A 22 2.457 -14.763 -3.262 1.00 0.00 C ATOM 313 SD MET A 22 2.837 -13.562 -1.971 1.00 0.00 S ATOM 314 CE MET A 22 4.432 -12.964 -2.525 1.00 0.00 C ATOM 0 H MET A 22 2.826 -15.382 -6.326 1.00 0.00 H new ATOM 0 HA MET A 22 0.612 -15.914 -4.684 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.552 -13.656 -5.091 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.118 -13.340 -4.135 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.804 -15.535 -2.854 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.377 -15.257 -3.576 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.942 -12.470 -1.698 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.034 -13.803 -2.874 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.291 -12.255 -3.341 1.00 0.00 H new ATOM 324 N GLU A 23 0.098 -13.745 -7.107 1.00 0.00 N ATOM 325 CA GLU A 23 -0.939 -13.027 -7.838 1.00 0.00 C ATOM 326 C GLU A 23 -2.011 -13.986 -8.346 1.00 0.00 C ATOM 327 O GLU A 23 -3.202 -13.676 -8.315 1.00 0.00 O ATOM 328 CB GLU A 23 -0.327 -12.261 -9.013 1.00 0.00 C ATOM 329 CG GLU A 23 0.097 -10.845 -8.662 1.00 0.00 C ATOM 330 CD GLU A 23 -1.020 -9.837 -8.853 1.00 0.00 C ATOM 331 OE1 GLU A 23 -1.655 -9.853 -9.928 1.00 0.00 O ATOM 332 OE2 GLU A 23 -1.258 -9.033 -7.928 1.00 0.00 O ATOM 0 H GLU A 23 1.028 -13.683 -7.522 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.405 -12.318 -7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.540 -12.810 -9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.050 -12.223 -9.827 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.433 -10.817 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.948 -10.561 -9.281 1.00 0.00 H new ATOM 339 N SER A 24 -1.580 -15.153 -8.813 1.00 0.00 N ATOM 340 CA SER A 24 -2.502 -16.157 -9.331 1.00 0.00 C ATOM 341 C SER A 24 -3.525 -16.554 -8.271 1.00 0.00 C ATOM 342 O SER A 24 -4.720 -16.653 -8.552 1.00 0.00 O ATOM 343 CB SER A 24 -1.732 -17.393 -9.800 1.00 0.00 C ATOM 344 OG SER A 24 -2.602 -18.342 -10.391 1.00 0.00 O ATOM 0 H SER A 24 -0.598 -15.427 -8.843 1.00 0.00 H new ATOM 0 HA SER A 24 -3.033 -15.724 -10.179 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.968 -17.098 -10.519 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.215 -17.846 -8.954 1.00 0.00 H new ATOM 0 HG SER A 24 -2.085 -19.122 -10.684 1.00 0.00 H new ATOM 350 N TYR A 25 -3.048 -16.779 -7.052 1.00 0.00 N ATOM 351 CA TYR A 25 -3.920 -17.167 -5.950 1.00 0.00 C ATOM 352 C TYR A 25 -4.740 -15.977 -5.459 1.00 0.00 C ATOM 353 O TYR A 25 -5.872 -16.135 -5.001 1.00 0.00 O ATOM 354 CB TYR A 25 -3.094 -17.742 -4.797 1.00 0.00 C ATOM 355 CG TYR A 25 -2.750 -19.204 -4.969 1.00 0.00 C ATOM 356 CD1 TYR A 25 -1.930 -19.627 -6.009 1.00 0.00 C ATOM 357 CD2 TYR A 25 -3.245 -20.162 -4.094 1.00 0.00 C ATOM 358 CE1 TYR A 25 -1.613 -20.962 -6.171 1.00 0.00 C ATOM 359 CE2 TYR A 25 -2.932 -21.499 -4.247 1.00 0.00 C ATOM 360 CZ TYR A 25 -2.116 -21.894 -5.287 1.00 0.00 C ATOM 361 OH TYR A 25 -1.803 -23.225 -5.444 1.00 0.00 O ATOM 0 H TYR A 25 -2.062 -16.699 -6.802 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.606 -17.932 -6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.172 -17.169 -4.701 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.647 -17.614 -3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.534 -18.900 -6.702 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.886 -19.857 -3.280 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.975 -21.274 -6.985 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.324 -22.231 -3.556 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.918 -23.306 -5.856 1.00 0.00 H new ATOM 371 N PHE A 26 -4.160 -14.786 -5.559 1.00 0.00 N ATOM 372 CA PHE A 26 -4.835 -13.568 -5.126 1.00 0.00 C ATOM 373 C PHE A 26 -5.980 -13.216 -6.071 1.00 0.00 C ATOM 374 O PHE A 26 -7.049 -12.788 -5.636 1.00 0.00 O ATOM 375 CB PHE A 26 -3.842 -12.407 -5.054 1.00 0.00 C ATOM 376 CG PHE A 26 -4.368 -11.214 -4.307 1.00 0.00 C ATOM 377 CD1 PHE A 26 -5.368 -10.425 -4.852 1.00 0.00 C ATOM 378 CD2 PHE A 26 -3.860 -10.881 -3.062 1.00 0.00 C ATOM 379 CE1 PHE A 26 -5.854 -9.327 -4.167 1.00 0.00 C ATOM 380 CE2 PHE A 26 -4.343 -9.785 -2.373 1.00 0.00 C ATOM 381 CZ PHE A 26 -5.340 -9.006 -2.927 1.00 0.00 C ATOM 0 H PHE A 26 -3.224 -14.638 -5.936 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.248 -13.745 -4.133 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.926 -12.752 -4.574 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.576 -12.103 -6.067 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.772 -10.671 -5.823 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.078 -11.484 -2.625 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.635 -8.721 -4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.941 -9.538 -1.402 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.717 -8.147 -2.391 1.00 0.00 H new ATOM 391 N ASN A 27 -5.747 -13.398 -7.367 1.00 0.00 N ATOM 392 CA ASN A 27 -6.758 -13.098 -8.374 1.00 0.00 C ATOM 393 C ASN A 27 -8.000 -13.960 -8.172 1.00 0.00 C ATOM 394 O ASN A 27 -9.115 -13.541 -8.481 1.00 0.00 O ATOM 395 CB ASN A 27 -6.191 -13.322 -9.778 1.00 0.00 C ATOM 396 CG ASN A 27 -5.556 -12.070 -10.351 1.00 0.00 C ATOM 397 OD1 ASN A 27 -6.230 -11.245 -10.968 1.00 0.00 O ATOM 398 ND2 ASN A 27 -4.251 -11.923 -10.151 1.00 0.00 N ATOM 0 H ASN A 27 -4.868 -13.751 -7.744 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.043 -12.051 -8.266 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.449 -14.120 -9.744 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.989 -13.657 -10.440 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.769 -11.101 -10.515 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.731 -12.632 -9.634 1.00 0.00 H new ATOM 405 N GLU A 28 -7.798 -15.166 -7.651 1.00 0.00 N ATOM 406 CA GLU A 28 -8.903 -16.087 -7.408 1.00 0.00 C ATOM 407 C GLU A 28 -9.514 -15.851 -6.030 1.00 0.00 C ATOM 408 O GLU A 28 -10.718 -16.017 -5.837 1.00 0.00 O ATOM 409 CB GLU A 28 -8.423 -17.535 -7.524 1.00 0.00 C ATOM 410 CG GLU A 28 -7.561 -17.987 -6.357 1.00 0.00 C ATOM 411 CD GLU A 28 -7.536 -19.495 -6.200 1.00 0.00 C ATOM 412 OE1 GLU A 28 -8.608 -20.122 -6.328 1.00 0.00 O ATOM 413 OE2 GLU A 28 -6.445 -20.047 -5.949 1.00 0.00 O ATOM 0 H GLU A 28 -6.881 -15.528 -7.389 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.668 -15.904 -8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.290 -18.191 -7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.856 -17.648 -8.448 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.543 -17.623 -6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.935 -17.536 -5.438 1.00 0.00 H new ATOM 420 N ASN A 29 -8.675 -15.464 -5.075 1.00 0.00 N ATOM 421 CA ASN A 29 -9.132 -15.207 -3.714 1.00 0.00 C ATOM 422 C ASN A 29 -8.212 -14.214 -3.010 1.00 0.00 C ATOM 423 O ASN A 29 -6.999 -14.412 -2.952 1.00 0.00 O ATOM 424 CB ASN A 29 -9.195 -16.513 -2.919 1.00 0.00 C ATOM 425 CG ASN A 29 -10.070 -16.397 -1.686 1.00 0.00 C ATOM 426 OD1 ASN A 29 -10.489 -15.303 -1.309 1.00 0.00 O ATOM 427 ND2 ASN A 29 -10.350 -17.530 -1.052 1.00 0.00 N ATOM 0 H ASN A 29 -7.675 -15.321 -5.218 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.131 -14.774 -3.769 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.578 -17.307 -3.560 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -8.187 -16.802 -2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.935 -17.516 -0.216 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.981 -18.414 -1.401 1.00 0.00 H new ATOM 434 N GLN A 30 -8.799 -13.148 -2.477 1.00 0.00 N ATOM 435 CA GLN A 30 -8.031 -12.124 -1.777 1.00 0.00 C ATOM 436 C GLN A 30 -7.445 -12.675 -0.481 1.00 0.00 C ATOM 437 O GLN A 30 -6.298 -12.389 -0.136 1.00 0.00 O ATOM 438 CB GLN A 30 -8.914 -10.912 -1.476 1.00 0.00 C ATOM 439 CG GLN A 30 -9.578 -10.321 -2.709 1.00 0.00 C ATOM 440 CD GLN A 30 -9.915 -8.852 -2.545 1.00 0.00 C ATOM 441 OE1 GLN A 30 -11.008 -8.500 -2.101 1.00 0.00 O ATOM 442 NE2 GLN A 30 -8.974 -7.986 -2.902 1.00 0.00 N ATOM 0 H GLN A 30 -9.803 -12.970 -2.516 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.210 -11.815 -2.424 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.685 -11.203 -0.763 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.309 -10.143 -0.995 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.917 -10.444 -3.567 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.490 -10.877 -2.927 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.082 -8.323 -3.265 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.143 -6.984 -2.813 1.00 0.00 H new ATOM 451 N TYR A 31 -8.238 -13.465 0.233 1.00 0.00 N ATOM 452 CA TYR A 31 -7.798 -14.054 1.492 1.00 0.00 C ATOM 453 C TYR A 31 -7.717 -15.573 1.384 1.00 0.00 C ATOM 454 O TYR A 31 -8.695 -16.290 1.595 1.00 0.00 O ATOM 455 CB TYR A 31 -8.752 -13.662 2.623 1.00 0.00 C ATOM 456 CG TYR A 31 -9.184 -12.214 2.576 1.00 0.00 C ATOM 457 CD1 TYR A 31 -9.999 -11.744 1.554 1.00 0.00 C ATOM 458 CD2 TYR A 31 -8.778 -11.316 3.555 1.00 0.00 C ATOM 459 CE1 TYR A 31 -10.396 -10.422 1.507 1.00 0.00 C ATOM 460 CE2 TYR A 31 -9.170 -9.992 3.518 1.00 0.00 C ATOM 461 CZ TYR A 31 -9.979 -9.550 2.491 1.00 0.00 C ATOM 462 OH TYR A 31 -10.373 -8.232 2.449 1.00 0.00 O ATOM 0 H TYR A 31 -9.190 -13.713 -0.039 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.802 -13.670 1.715 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.636 -14.298 2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.267 -13.857 3.580 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.328 -12.424 0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.144 -11.659 4.360 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.029 -10.073 0.705 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.846 -9.307 4.288 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.994 -7.753 3.215 1.00 0.00 H new ATOM 472 N PRO A 32 -6.520 -16.078 1.049 1.00 0.00 N ATOM 473 CA PRO A 32 -6.279 -17.517 0.906 1.00 0.00 C ATOM 474 C PRO A 32 -6.321 -18.247 2.244 1.00 0.00 C ATOM 475 O PRO A 32 -5.538 -17.954 3.147 1.00 0.00 O ATOM 476 CB PRO A 32 -4.873 -17.584 0.304 1.00 0.00 C ATOM 477 CG PRO A 32 -4.218 -16.316 0.732 1.00 0.00 C ATOM 478 CD PRO A 32 -5.310 -15.282 0.783 1.00 0.00 C ATOM 0 HA PRO A 32 -7.042 -17.999 0.295 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.327 -18.454 0.668 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.911 -17.663 -0.782 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.744 -16.431 1.707 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.437 -16.024 0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.132 -14.547 1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.388 -14.733 -0.155 1.00 0.00 H new ATOM 486 N ASP A 33 -7.240 -19.199 2.364 1.00 0.00 N ATOM 487 CA ASP A 33 -7.383 -19.973 3.592 1.00 0.00 C ATOM 488 C ASP A 33 -6.026 -20.466 4.084 1.00 0.00 C ATOM 489 O ASP A 33 -5.014 -20.309 3.403 1.00 0.00 O ATOM 490 CB ASP A 33 -8.320 -21.160 3.366 1.00 0.00 C ATOM 491 CG ASP A 33 -9.602 -20.760 2.661 1.00 0.00 C ATOM 492 OD1 ASP A 33 -10.422 -20.049 3.279 1.00 0.00 O ATOM 493 OD2 ASP A 33 -9.785 -21.158 1.492 1.00 0.00 O ATOM 0 H ASP A 33 -7.897 -19.453 1.626 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.812 -19.323 4.355 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.805 -21.918 2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.564 -21.615 4.326 1.00 0.00 H new ATOM 498 N GLU A 34 -6.015 -21.062 5.273 1.00 0.00 N ATOM 499 CA GLU A 34 -4.781 -21.577 5.857 1.00 0.00 C ATOM 500 C GLU A 34 -4.122 -22.593 4.928 1.00 0.00 C ATOM 501 O GLU A 34 -2.917 -22.539 4.688 1.00 0.00 O ATOM 502 CB GLU A 34 -5.064 -22.220 7.216 1.00 0.00 C ATOM 503 CG GLU A 34 -3.892 -23.013 7.769 1.00 0.00 C ATOM 504 CD GLU A 34 -4.028 -23.298 9.252 1.00 0.00 C ATOM 505 OE1 GLU A 34 -5.002 -23.977 9.639 1.00 0.00 O ATOM 506 OE2 GLU A 34 -3.161 -22.841 10.026 1.00 0.00 O ATOM 0 H GLU A 34 -6.845 -21.200 5.850 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.097 -20.740 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.333 -21.440 7.929 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.927 -22.879 7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.808 -23.956 7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.969 -22.461 7.592 1.00 0.00 H new ATOM 513 N ALA A 35 -4.923 -23.519 4.410 1.00 0.00 N ATOM 514 CA ALA A 35 -4.419 -24.546 3.507 1.00 0.00 C ATOM 515 C ALA A 35 -3.990 -23.943 2.174 1.00 0.00 C ATOM 516 O ALA A 35 -2.994 -24.362 1.583 1.00 0.00 O ATOM 517 CB ALA A 35 -5.475 -25.620 3.288 1.00 0.00 C ATOM 0 H ALA A 35 -5.923 -23.579 4.600 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.543 -25.002 3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.085 -26.381 2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.730 -26.080 4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.367 -25.170 2.852 1.00 0.00 H new ATOM 523 N LYS A 36 -4.747 -22.957 1.705 1.00 0.00 N ATOM 524 CA LYS A 36 -4.445 -22.295 0.441 1.00 0.00 C ATOM 525 C LYS A 36 -3.083 -21.610 0.498 1.00 0.00 C ATOM 526 O LYS A 36 -2.313 -21.658 -0.461 1.00 0.00 O ATOM 527 CB LYS A 36 -5.530 -21.270 0.107 1.00 0.00 C ATOM 528 CG LYS A 36 -5.360 -20.626 -1.258 1.00 0.00 C ATOM 529 CD LYS A 36 -5.767 -21.572 -2.376 1.00 0.00 C ATOM 530 CE LYS A 36 -7.278 -21.627 -2.537 1.00 0.00 C ATOM 531 NZ LYS A 36 -7.729 -22.926 -3.108 1.00 0.00 N ATOM 0 H LYS A 36 -5.575 -22.598 2.181 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.418 -23.054 -0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.504 -21.757 0.151 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.529 -20.491 0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.962 -19.719 -1.311 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.321 -20.327 -1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.312 -21.248 -3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.386 -22.571 -2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.752 -21.472 -1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.604 -20.813 -3.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.765 -22.923 -3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.297 -23.062 -4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.441 -23.701 -2.477 1.00 0.00 H new ATOM 545 N ARG A 37 -2.793 -20.973 1.628 1.00 0.00 N ATOM 546 CA ARG A 37 -1.524 -20.278 1.810 1.00 0.00 C ATOM 547 C ARG A 37 -0.351 -21.242 1.665 1.00 0.00 C ATOM 548 O ARG A 37 0.679 -20.899 1.085 1.00 0.00 O ATOM 549 CB ARG A 37 -1.479 -19.605 3.183 1.00 0.00 C ATOM 550 CG ARG A 37 -2.190 -18.263 3.227 1.00 0.00 C ATOM 551 CD ARG A 37 -1.922 -17.533 4.534 1.00 0.00 C ATOM 552 NE ARG A 37 -2.871 -17.912 5.577 1.00 0.00 N ATOM 553 CZ ARG A 37 -2.623 -17.789 6.876 1.00 0.00 C ATOM 554 NH1 ARG A 37 -1.462 -17.298 7.289 1.00 0.00 N ATOM 555 NH2 ARG A 37 -3.537 -18.156 7.765 1.00 0.00 N ATOM 0 H ARG A 37 -3.420 -20.924 2.431 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.442 -19.515 1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.930 -20.270 3.919 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.438 -19.465 3.476 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.859 -17.647 2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.263 -18.414 3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.908 -17.751 4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.978 -16.457 4.367 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.774 -18.292 5.292 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.757 -17.014 6.608 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.274 -17.204 8.287 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.431 -18.533 7.451 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.345 -18.061 8.762 1.00 0.00 H new ATOM 569 N GLU A 38 -0.514 -22.450 2.196 1.00 0.00 N ATOM 570 CA GLU A 38 0.533 -23.463 2.127 1.00 0.00 C ATOM 571 C GLU A 38 0.706 -23.968 0.698 1.00 0.00 C ATOM 572 O GLU A 38 1.822 -24.240 0.256 1.00 0.00 O ATOM 573 CB GLU A 38 0.204 -24.632 3.057 1.00 0.00 C ATOM 574 CG GLU A 38 0.625 -24.400 4.499 1.00 0.00 C ATOM 575 CD GLU A 38 0.083 -25.456 5.442 1.00 0.00 C ATOM 576 OE1 GLU A 38 0.519 -26.622 5.340 1.00 0.00 O ATOM 577 OE2 GLU A 38 -0.777 -25.117 6.282 1.00 0.00 O ATOM 0 H GLU A 38 -1.361 -22.751 2.679 1.00 0.00 H new ATOM 0 HA GLU A 38 1.469 -23.005 2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.869 -24.819 3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.695 -25.531 2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.713 -24.389 4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.278 -23.418 4.821 1.00 0.00 H new ATOM 584 N GLU A 39 -0.406 -24.093 -0.019 1.00 0.00 N ATOM 585 CA GLU A 39 -0.377 -24.568 -1.398 1.00 0.00 C ATOM 586 C GLU A 39 0.356 -23.578 -2.298 1.00 0.00 C ATOM 587 O GLU A 39 1.204 -23.965 -3.103 1.00 0.00 O ATOM 588 CB GLU A 39 -1.800 -24.788 -1.915 1.00 0.00 C ATOM 589 CG GLU A 39 -1.873 -25.701 -3.127 1.00 0.00 C ATOM 590 CD GLU A 39 -1.505 -27.135 -2.800 1.00 0.00 C ATOM 591 OE1 GLU A 39 -0.299 -27.415 -2.637 1.00 0.00 O ATOM 592 OE2 GLU A 39 -2.422 -27.977 -2.707 1.00 0.00 O ATOM 0 H GLU A 39 -1.338 -23.872 0.332 1.00 0.00 H new ATOM 0 HA GLU A 39 0.159 -25.517 -1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.407 -25.211 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.238 -23.823 -2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.882 -25.673 -3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.204 -25.325 -3.901 1.00 0.00 H new ATOM 599 N ILE A 40 0.023 -22.300 -2.157 1.00 0.00 N ATOM 600 CA ILE A 40 0.649 -21.254 -2.957 1.00 0.00 C ATOM 601 C ILE A 40 2.092 -21.019 -2.521 1.00 0.00 C ATOM 602 O ILE A 40 2.948 -20.673 -3.334 1.00 0.00 O ATOM 603 CB ILE A 40 -0.128 -19.928 -2.859 1.00 0.00 C ATOM 604 CG1 ILE A 40 0.319 -18.968 -3.963 1.00 0.00 C ATOM 605 CG2 ILE A 40 0.070 -19.298 -1.489 1.00 0.00 C ATOM 606 CD1 ILE A 40 1.724 -18.440 -3.772 1.00 0.00 C ATOM 0 H ILE A 40 -0.677 -21.963 -1.496 1.00 0.00 H new ATOM 0 HA ILE A 40 0.635 -21.597 -3.992 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.190 -20.135 -2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.259 -19.479 -4.924 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.374 -18.128 -4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.485 -18.362 -1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.292 -19.979 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.130 -19.101 -1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.974 -17.766 -4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.785 -17.900 -2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.427 -19.273 -3.760 1.00 0.00 H new ATOM 618 N ALA A 41 2.353 -21.210 -1.232 1.00 0.00 N ATOM 619 CA ALA A 41 3.692 -21.022 -0.688 1.00 0.00 C ATOM 620 C ALA A 41 4.641 -22.112 -1.176 1.00 0.00 C ATOM 621 O ALA A 41 5.789 -21.838 -1.523 1.00 0.00 O ATOM 622 CB ALA A 41 3.646 -21.001 0.832 1.00 0.00 C ATOM 0 H ALA A 41 1.655 -21.495 -0.545 1.00 0.00 H new ATOM 0 HA ALA A 41 4.070 -20.063 -1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.653 -20.860 1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.009 -20.182 1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.243 -21.946 1.197 1.00 0.00 H new ATOM 628 N ASN A 42 4.153 -23.348 -1.200 1.00 0.00 N ATOM 629 CA ASN A 42 4.958 -24.479 -1.644 1.00 0.00 C ATOM 630 C ASN A 42 5.391 -24.302 -3.096 1.00 0.00 C ATOM 631 O ASN A 42 6.509 -24.654 -3.469 1.00 0.00 O ATOM 632 CB ASN A 42 4.173 -25.783 -1.489 1.00 0.00 C ATOM 633 CG ASN A 42 4.323 -26.388 -0.107 1.00 0.00 C ATOM 634 OD1 ASN A 42 4.838 -27.496 0.046 1.00 0.00 O ATOM 635 ND2 ASN A 42 3.873 -25.661 0.909 1.00 0.00 N ATOM 0 H ASN A 42 3.204 -23.591 -0.917 1.00 0.00 H new ATOM 0 HA ASN A 42 5.851 -24.524 -1.020 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.118 -25.594 -1.687 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.514 -26.500 -2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.947 -26.016 1.862 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.453 -24.748 0.736 1.00 0.00 H new ATOM 642 N ALA A 43 4.496 -23.753 -3.912 1.00 0.00 N ATOM 643 CA ALA A 43 4.785 -23.527 -5.322 1.00 0.00 C ATOM 644 C ALA A 43 5.877 -22.476 -5.497 1.00 0.00 C ATOM 645 O ALA A 43 6.689 -22.558 -6.419 1.00 0.00 O ATOM 646 CB ALA A 43 3.523 -23.107 -6.059 1.00 0.00 C ATOM 0 H ALA A 43 3.565 -23.457 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 43 5.146 -24.463 -5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.754 -22.942 -7.111 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.772 -23.892 -5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.137 -22.186 -5.623 1.00 0.00 H new ATOM 652 N CYS A 44 5.890 -21.490 -4.607 1.00 0.00 N ATOM 653 CA CYS A 44 6.881 -20.422 -4.664 1.00 0.00 C ATOM 654 C CYS A 44 8.278 -20.960 -4.372 1.00 0.00 C ATOM 655 O CYS A 44 9.253 -20.557 -5.004 1.00 0.00 O ATOM 656 CB CYS A 44 6.528 -19.316 -3.667 1.00 0.00 C ATOM 657 SG CYS A 44 4.948 -18.501 -3.997 1.00 0.00 S ATOM 0 H CYS A 44 5.226 -21.408 -3.837 1.00 0.00 H new ATOM 0 HA CYS A 44 6.875 -20.008 -5.672 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.503 -19.741 -2.663 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.320 -18.567 -3.676 1.00 0.00 H new ATOM 0 HG CYS A 44 4.737 -17.584 -3.100 1.00 0.00 H new ATOM 663 N ASN A 45 8.366 -21.871 -3.408 1.00 0.00 N ATOM 664 CA ASN A 45 9.644 -22.463 -3.030 1.00 0.00 C ATOM 665 C ASN A 45 10.190 -23.341 -4.152 1.00 0.00 C ATOM 666 O ASN A 45 11.401 -23.439 -4.344 1.00 0.00 O ATOM 667 CB ASN A 45 9.489 -23.288 -1.751 1.00 0.00 C ATOM 668 CG ASN A 45 9.440 -22.423 -0.507 1.00 0.00 C ATOM 669 OD1 ASN A 45 10.390 -21.702 -0.201 1.00 0.00 O ATOM 670 ND2 ASN A 45 8.330 -22.492 0.218 1.00 0.00 N ATOM 0 H ASN A 45 7.568 -22.215 -2.875 1.00 0.00 H new ATOM 0 HA ASN A 45 10.352 -21.654 -2.849 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.577 -23.882 -1.813 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.320 -23.988 -1.671 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.240 -21.933 1.067 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.568 -23.104 -0.074 1.00 0.00 H new ATOM 677 N ALA A 46 9.287 -23.976 -4.891 1.00 0.00 N ATOM 678 CA ALA A 46 9.677 -24.844 -5.996 1.00 0.00 C ATOM 679 C ALA A 46 10.246 -24.033 -7.156 1.00 0.00 C ATOM 680 O ALA A 46 11.306 -24.356 -7.691 1.00 0.00 O ATOM 681 CB ALA A 46 8.489 -25.673 -6.461 1.00 0.00 C ATOM 0 H ALA A 46 8.280 -23.906 -4.745 1.00 0.00 H new ATOM 0 HA ALA A 46 10.457 -25.517 -5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.795 -26.316 -7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.129 -26.288 -5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.691 -25.010 -6.794 1.00 0.00 H new ATOM 687 N VAL A 47 9.534 -22.978 -7.540 1.00 0.00 N ATOM 688 CA VAL A 47 9.968 -22.121 -8.636 1.00 0.00 C ATOM 689 C VAL A 47 11.348 -21.534 -8.362 1.00 0.00 C ATOM 690 O VAL A 47 12.138 -21.323 -9.283 1.00 0.00 O ATOM 691 CB VAL A 47 8.972 -20.971 -8.878 1.00 0.00 C ATOM 692 CG1 VAL A 47 7.686 -21.499 -9.494 1.00 0.00 C ATOM 693 CG2 VAL A 47 8.687 -20.232 -7.579 1.00 0.00 C ATOM 0 H VAL A 47 8.654 -22.697 -7.108 1.00 0.00 H new ATOM 0 HA VAL A 47 10.013 -22.747 -9.528 1.00 0.00 H new ATOM 0 HB VAL A 47 9.420 -20.267 -9.579 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.995 -20.672 -9.658 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.909 -21.979 -10.447 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.231 -22.225 -8.820 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.982 -19.423 -7.768 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.260 -20.924 -6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.615 -19.819 -7.184 1.00 0.00 H new ATOM 703 N ILE A 48 11.632 -21.274 -7.090 1.00 0.00 N ATOM 704 CA ILE A 48 12.918 -20.714 -6.695 1.00 0.00 C ATOM 705 C ILE A 48 13.919 -21.815 -6.360 1.00 0.00 C ATOM 706 O ILE A 48 15.125 -21.645 -6.536 1.00 0.00 O ATOM 707 CB ILE A 48 12.775 -19.779 -5.479 1.00 0.00 C ATOM 708 CG1 ILE A 48 12.484 -20.592 -4.215 1.00 0.00 C ATOM 709 CG2 ILE A 48 11.675 -18.757 -5.723 1.00 0.00 C ATOM 710 CD1 ILE A 48 12.369 -19.747 -2.966 1.00 0.00 C ATOM 0 H ILE A 48 10.989 -21.442 -6.316 1.00 0.00 H new ATOM 0 HA ILE A 48 13.286 -20.139 -7.545 1.00 0.00 H new ATOM 0 HB ILE A 48 13.715 -19.245 -5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.556 -21.147 -4.355 1.00 0.00 H new ATOM 0 HG13 ILE A 48 13.277 -21.327 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.586 -18.104 -4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.921 -18.161 -6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.729 -19.273 -5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.162 -20.389 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 48 13.304 -19.212 -2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.557 -19.029 -3.086 1.00 0.00 H new ATOM 722 N GLN A 49 13.408 -22.944 -5.880 1.00 0.00 N ATOM 723 CA GLN A 49 14.258 -24.074 -5.522 1.00 0.00 C ATOM 724 C GLN A 49 15.090 -24.530 -6.717 1.00 0.00 C ATOM 725 O GLN A 49 14.558 -24.773 -7.801 1.00 0.00 O ATOM 726 CB GLN A 49 13.407 -25.236 -5.006 1.00 0.00 C ATOM 727 CG GLN A 49 14.186 -26.530 -4.831 1.00 0.00 C ATOM 728 CD GLN A 49 13.456 -27.537 -3.965 1.00 0.00 C ATOM 729 OE1 GLN A 49 12.404 -28.053 -4.345 1.00 0.00 O ATOM 730 NE2 GLN A 49 14.011 -27.824 -2.794 1.00 0.00 N ATOM 0 H GLN A 49 12.411 -23.101 -5.730 1.00 0.00 H new ATOM 0 HA GLN A 49 14.936 -23.750 -4.732 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.965 -24.955 -4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.584 -25.408 -5.699 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.378 -26.970 -5.810 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.156 -26.309 -4.385 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.884 -27.373 -2.519 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.565 -28.496 -2.169 1.00 0.00 H new ATOM 739 N LYS A 50 16.397 -24.643 -6.512 1.00 0.00 N ATOM 740 CA LYS A 50 17.304 -25.070 -7.571 1.00 0.00 C ATOM 741 C LYS A 50 17.862 -26.460 -7.282 1.00 0.00 C ATOM 742 O LYS A 50 18.005 -26.870 -6.131 1.00 0.00 O ATOM 743 CB LYS A 50 18.452 -24.069 -7.723 1.00 0.00 C ATOM 744 CG LYS A 50 17.989 -22.629 -7.860 1.00 0.00 C ATOM 745 CD LYS A 50 17.516 -22.327 -9.272 1.00 0.00 C ATOM 746 CE LYS A 50 17.243 -20.843 -9.463 1.00 0.00 C ATOM 747 NZ LYS A 50 16.540 -20.570 -10.747 1.00 0.00 N ATOM 0 H LYS A 50 16.853 -24.445 -5.621 1.00 0.00 H new ATOM 0 HA LYS A 50 16.740 -25.111 -8.503 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.110 -24.150 -6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.043 -24.337 -8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.180 -22.438 -7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.806 -21.957 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.271 -22.654 -9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 50 16.610 -22.895 -9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.640 -20.475 -8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.185 -20.295 -9.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.372 -19.548 -10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.127 -20.898 -11.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.630 -21.073 -10.758 1.00 0.00 H new ATOM 761 N PRO A 51 18.186 -27.202 -8.351 1.00 0.00 N ATOM 762 CA PRO A 51 18.736 -28.556 -8.237 1.00 0.00 C ATOM 763 C PRO A 51 20.156 -28.561 -7.681 1.00 0.00 C ATOM 764 O PRO A 51 21.029 -27.850 -8.175 1.00 0.00 O ATOM 765 CB PRO A 51 18.726 -29.066 -9.681 1.00 0.00 C ATOM 766 CG PRO A 51 18.789 -27.835 -10.518 1.00 0.00 C ATOM 767 CD PRO A 51 18.043 -26.776 -9.754 1.00 0.00 C ATOM 0 HA PRO A 51 18.159 -29.173 -7.548 1.00 0.00 H new ATOM 0 HB2 PRO A 51 19.575 -29.721 -9.875 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.825 -29.642 -9.891 1.00 0.00 H new ATOM 0 HG2 PRO A 51 19.822 -27.535 -10.693 1.00 0.00 H new ATOM 0 HG3 PRO A 51 18.336 -28.004 -11.495 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.469 -25.786 -9.919 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.996 -26.726 -10.054 1.00 0.00 H new ATOM 775 N GLY A 52 20.379 -29.368 -6.648 1.00 0.00 N ATOM 776 CA GLY A 52 21.695 -29.450 -6.042 1.00 0.00 C ATOM 777 C GLY A 52 21.993 -28.268 -5.141 1.00 0.00 C ATOM 778 O GLY A 52 23.117 -28.108 -4.665 1.00 0.00 O ATOM 0 H GLY A 52 19.672 -29.966 -6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.769 -30.371 -5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.450 -29.505 -6.826 1.00 0.00 H new ATOM 782 N LYS A 53 20.984 -27.436 -4.906 1.00 0.00 N ATOM 783 CA LYS A 53 21.142 -26.262 -4.057 1.00 0.00 C ATOM 784 C LYS A 53 20.135 -26.279 -2.911 1.00 0.00 C ATOM 785 O LYS A 53 18.933 -26.439 -3.129 1.00 0.00 O ATOM 786 CB LYS A 53 20.970 -24.984 -4.881 1.00 0.00 C ATOM 787 CG LYS A 53 21.310 -23.717 -4.117 1.00 0.00 C ATOM 788 CD LYS A 53 22.770 -23.333 -4.295 1.00 0.00 C ATOM 789 CE LYS A 53 23.636 -23.900 -3.181 1.00 0.00 C ATOM 790 NZ LYS A 53 25.018 -24.197 -3.648 1.00 0.00 N ATOM 0 H LYS A 53 20.047 -27.554 -5.292 1.00 0.00 H new ATOM 0 HA LYS A 53 22.147 -26.283 -3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 53 21.603 -25.045 -5.767 1.00 0.00 H new ATOM 0 HB3 LYS A 53 19.939 -24.922 -5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.674 -22.902 -4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 53 21.097 -23.862 -3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 53 23.128 -23.698 -5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 53 22.862 -22.247 -4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 53 23.677 -23.189 -2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 53 23.180 -24.811 -2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 25.576 -24.582 -2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 24.982 -24.894 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.463 -23.323 -3.993 1.00 0.00 H new ATOM 804 N LYS A 54 20.631 -26.113 -1.690 1.00 0.00 N ATOM 805 CA LYS A 54 19.776 -26.106 -0.510 1.00 0.00 C ATOM 806 C LYS A 54 19.107 -24.747 -0.330 1.00 0.00 C ATOM 807 O LYS A 54 19.759 -23.706 -0.417 1.00 0.00 O ATOM 808 CB LYS A 54 20.590 -26.455 0.738 1.00 0.00 C ATOM 809 CG LYS A 54 19.778 -26.432 2.021 1.00 0.00 C ATOM 810 CD LYS A 54 20.594 -26.918 3.207 1.00 0.00 C ATOM 811 CE LYS A 54 21.664 -25.909 3.598 1.00 0.00 C ATOM 812 NZ LYS A 54 22.154 -26.131 4.986 1.00 0.00 N ATOM 0 H LYS A 54 21.623 -25.981 -1.492 1.00 0.00 H new ATOM 0 HA LYS A 54 18.999 -26.858 -0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 54 21.026 -27.446 0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 54 21.418 -25.752 0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 54 19.426 -25.418 2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 54 18.894 -27.060 1.905 1.00 0.00 H new ATOM 0 HD2 LYS A 54 19.934 -27.097 4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 54 21.063 -27.871 2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 54 22.500 -25.978 2.902 1.00 0.00 H new ATOM 0 HE3 LYS A 54 21.261 -24.900 3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 22.882 -25.424 5.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 21.361 -26.040 5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 22.562 -27.085 5.062 1.00 0.00 H new ATOM 826 N LEU A 55 17.803 -24.764 -0.077 1.00 0.00 N ATOM 827 CA LEU A 55 17.045 -23.532 0.117 1.00 0.00 C ATOM 828 C LEU A 55 17.369 -22.901 1.468 1.00 0.00 C ATOM 829 O LEU A 55 17.598 -23.603 2.453 1.00 0.00 O ATOM 830 CB LEU A 55 15.545 -23.812 0.019 1.00 0.00 C ATOM 831 CG LEU A 55 14.936 -23.724 -1.381 1.00 0.00 C ATOM 832 CD1 LEU A 55 13.424 -23.868 -1.316 1.00 0.00 C ATOM 833 CD2 LEU A 55 15.320 -22.411 -2.048 1.00 0.00 C ATOM 0 H LEU A 55 17.248 -25.617 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 55 17.329 -22.832 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.355 -24.810 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.021 -23.108 0.666 1.00 0.00 H new ATOM 0 HG LEU A 55 15.333 -24.543 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.009 -23.803 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.169 -24.834 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.009 -23.071 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.878 -22.366 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.952 -21.578 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.405 -22.348 -2.130 1.00 0.00 H new ATOM 845 N SER A 56 17.384 -21.573 1.506 1.00 0.00 N ATOM 846 CA SER A 56 17.680 -20.847 2.735 1.00 0.00 C ATOM 847 C SER A 56 16.395 -20.449 3.455 1.00 0.00 C ATOM 848 O SER A 56 15.399 -20.099 2.822 1.00 0.00 O ATOM 849 CB SER A 56 18.513 -19.600 2.428 1.00 0.00 C ATOM 850 OG SER A 56 17.682 -18.475 2.201 1.00 0.00 O ATOM 0 H SER A 56 17.195 -20.978 0.700 1.00 0.00 H new ATOM 0 HA SER A 56 18.252 -21.506 3.388 1.00 0.00 H new ATOM 0 HB2 SER A 56 19.188 -19.396 3.259 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.134 -19.780 1.550 1.00 0.00 H new ATOM 0 HG SER A 56 18.238 -17.691 2.009 1.00 0.00 H new ATOM 856 N ASP A 57 16.427 -20.505 4.782 1.00 0.00 N ATOM 857 CA ASP A 57 15.265 -20.150 5.590 1.00 0.00 C ATOM 858 C ASP A 57 14.783 -18.741 5.259 1.00 0.00 C ATOM 859 O ASP A 57 13.628 -18.395 5.507 1.00 0.00 O ATOM 860 CB ASP A 57 15.603 -20.251 7.078 1.00 0.00 C ATOM 861 CG ASP A 57 16.230 -21.583 7.441 1.00 0.00 C ATOM 862 OD1 ASP A 57 15.478 -22.566 7.606 1.00 0.00 O ATOM 863 OD2 ASP A 57 17.472 -21.642 7.561 1.00 0.00 O ATOM 0 H ASP A 57 17.244 -20.792 5.321 1.00 0.00 H new ATOM 0 HA ASP A 57 14.464 -20.852 5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 57 16.286 -19.446 7.348 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.695 -20.108 7.664 1.00 0.00 H new ATOM 868 N LEU A 58 15.676 -17.933 4.699 1.00 0.00 N ATOM 869 CA LEU A 58 15.343 -16.560 4.335 1.00 0.00 C ATOM 870 C LEU A 58 14.574 -16.517 3.018 1.00 0.00 C ATOM 871 O LEU A 58 13.671 -15.700 2.842 1.00 0.00 O ATOM 872 CB LEU A 58 16.615 -15.718 4.223 1.00 0.00 C ATOM 873 CG LEU A 58 17.223 -15.243 5.544 1.00 0.00 C ATOM 874 CD1 LEU A 58 18.147 -16.306 6.118 1.00 0.00 C ATOM 875 CD2 LEU A 58 17.972 -13.933 5.345 1.00 0.00 C ATOM 0 H LEU A 58 16.636 -18.204 4.487 1.00 0.00 H new ATOM 0 HA LEU A 58 14.709 -16.146 5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.366 -16.300 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.395 -14.843 3.612 1.00 0.00 H new ATOM 0 HG LEU A 58 16.414 -15.072 6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.571 -15.951 7.058 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.582 -17.221 6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.951 -16.509 5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 58 18.398 -13.610 6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 58 18.772 -14.078 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 58 17.283 -13.172 4.979 1.00 0.00 H new ATOM 887 N GLU A 59 14.938 -17.405 2.097 1.00 0.00 N ATOM 888 CA GLU A 59 14.281 -17.469 0.797 1.00 0.00 C ATOM 889 C GLU A 59 13.076 -18.405 0.841 1.00 0.00 C ATOM 890 O GLU A 59 12.247 -18.410 -0.068 1.00 0.00 O ATOM 891 CB GLU A 59 15.266 -17.938 -0.275 1.00 0.00 C ATOM 892 CG GLU A 59 16.509 -17.070 -0.381 1.00 0.00 C ATOM 893 CD GLU A 59 16.334 -15.918 -1.351 1.00 0.00 C ATOM 894 OE1 GLU A 59 15.493 -15.036 -1.081 1.00 0.00 O ATOM 895 OE2 GLU A 59 17.040 -15.899 -2.382 1.00 0.00 O ATOM 0 H GLU A 59 15.683 -18.089 2.227 1.00 0.00 H new ATOM 0 HA GLU A 59 13.932 -16.467 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.566 -18.963 -0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.760 -17.953 -1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.758 -16.676 0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.351 -17.684 -0.700 1.00 0.00 H new ATOM 902 N ARG A 60 12.988 -19.196 1.906 1.00 0.00 N ATOM 903 CA ARG A 60 11.887 -20.138 2.069 1.00 0.00 C ATOM 904 C ARG A 60 10.570 -19.401 2.291 1.00 0.00 C ATOM 905 O ARG A 60 10.408 -18.678 3.274 1.00 0.00 O ATOM 906 CB ARG A 60 12.162 -21.078 3.243 1.00 0.00 C ATOM 907 CG ARG A 60 11.379 -22.379 3.178 1.00 0.00 C ATOM 908 CD ARG A 60 11.902 -23.395 4.181 1.00 0.00 C ATOM 909 NE ARG A 60 11.266 -23.251 5.488 1.00 0.00 N ATOM 910 CZ ARG A 60 11.387 -24.141 6.466 1.00 0.00 C ATOM 911 NH1 ARG A 60 12.117 -25.234 6.287 1.00 0.00 N ATOM 912 NH2 ARG A 60 10.778 -23.940 7.628 1.00 0.00 N ATOM 0 H ARG A 60 13.666 -19.203 2.668 1.00 0.00 H new ATOM 0 HA ARG A 60 11.805 -20.725 1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.227 -21.306 3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.920 -20.564 4.173 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.325 -22.181 3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.443 -22.793 2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.727 -24.402 3.802 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.980 -23.277 4.288 1.00 0.00 H new ATOM 0 HE ARG A 60 10.698 -22.421 5.659 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.587 -25.393 5.396 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.208 -25.916 7.040 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.216 -23.101 7.771 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.872 -24.625 8.378 1.00 0.00 H new ATOM 926 N VAL A 61 9.630 -19.588 1.369 1.00 0.00 N ATOM 927 CA VAL A 61 8.326 -18.942 1.465 1.00 0.00 C ATOM 928 C VAL A 61 7.358 -19.778 2.293 1.00 0.00 C ATOM 929 O VAL A 61 6.841 -20.794 1.827 1.00 0.00 O ATOM 930 CB VAL A 61 7.717 -18.700 0.071 1.00 0.00 C ATOM 931 CG1 VAL A 61 6.359 -18.026 0.191 1.00 0.00 C ATOM 932 CG2 VAL A 61 8.660 -17.870 -0.786 1.00 0.00 C ATOM 0 H VAL A 61 9.747 -20.181 0.548 1.00 0.00 H new ATOM 0 HA VAL A 61 8.483 -17.982 1.957 1.00 0.00 H new ATOM 0 HB VAL A 61 7.575 -19.665 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.944 -17.863 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.686 -18.663 0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.472 -17.068 0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.213 -17.709 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.837 -16.908 -0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.607 -18.398 -0.901 1.00 0.00 H new ATOM 942 N THR A 62 7.114 -19.344 3.526 1.00 0.00 N ATOM 943 CA THR A 62 6.208 -20.053 4.420 1.00 0.00 C ATOM 944 C THR A 62 4.777 -19.552 4.263 1.00 0.00 C ATOM 945 O THR A 62 4.524 -18.579 3.553 1.00 0.00 O ATOM 946 CB THR A 62 6.635 -19.897 5.892 1.00 0.00 C ATOM 947 OG1 THR A 62 6.399 -18.554 6.331 1.00 0.00 O ATOM 948 CG2 THR A 62 8.106 -20.242 6.068 1.00 0.00 C ATOM 0 H THR A 62 7.532 -18.505 3.928 1.00 0.00 H new ATOM 0 HA THR A 62 6.254 -21.107 4.145 1.00 0.00 H new ATOM 0 HB THR A 62 6.042 -20.585 6.494 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.671 -18.464 7.268 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.384 -20.125 7.115 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.277 -21.274 5.761 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.712 -19.575 5.454 1.00 0.00 H new ATOM 956 N SER A 63 3.843 -20.222 4.930 1.00 0.00 N ATOM 957 CA SER A 63 2.436 -19.847 4.861 1.00 0.00 C ATOM 958 C SER A 63 2.217 -18.451 5.439 1.00 0.00 C ATOM 959 O SER A 63 1.389 -17.685 4.945 1.00 0.00 O ATOM 960 CB SER A 63 1.577 -20.863 5.616 1.00 0.00 C ATOM 961 OG SER A 63 1.610 -20.623 7.012 1.00 0.00 O ATOM 0 H SER A 63 4.036 -21.028 5.525 1.00 0.00 H new ATOM 0 HA SER A 63 2.139 -19.839 3.812 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.548 -20.810 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.935 -21.871 5.409 1.00 0.00 H new ATOM 0 HG SER A 63 1.052 -21.285 7.471 1.00 0.00 H new ATOM 967 N LEU A 64 2.965 -18.129 6.488 1.00 0.00 N ATOM 968 CA LEU A 64 2.855 -16.826 7.134 1.00 0.00 C ATOM 969 C LEU A 64 3.329 -15.714 6.204 1.00 0.00 C ATOM 970 O LEU A 64 2.713 -14.651 6.124 1.00 0.00 O ATOM 971 CB LEU A 64 3.671 -16.805 8.428 1.00 0.00 C ATOM 972 CG LEU A 64 3.778 -15.453 9.133 1.00 0.00 C ATOM 973 CD1 LEU A 64 2.401 -14.955 9.545 1.00 0.00 C ATOM 974 CD2 LEU A 64 4.694 -15.553 10.344 1.00 0.00 C ATOM 0 H LEU A 64 3.654 -18.752 6.909 1.00 0.00 H new ATOM 0 HA LEU A 64 1.805 -16.654 7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.231 -17.520 9.123 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.678 -17.156 8.204 1.00 0.00 H new ATOM 0 HG LEU A 64 4.208 -14.735 8.435 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.497 -13.991 10.045 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.775 -14.843 8.660 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.943 -15.673 10.225 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.758 -14.581 10.833 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.293 -16.286 11.044 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.688 -15.864 10.023 1.00 0.00 H new ATOM 986 N LYS A 65 4.427 -15.967 5.500 1.00 0.00 N ATOM 987 CA LYS A 65 4.984 -14.990 4.571 1.00 0.00 C ATOM 988 C LYS A 65 3.961 -14.609 3.505 1.00 0.00 C ATOM 989 O LYS A 65 3.846 -13.442 3.130 1.00 0.00 O ATOM 990 CB LYS A 65 6.245 -15.548 3.907 1.00 0.00 C ATOM 991 CG LYS A 65 7.519 -15.254 4.679 1.00 0.00 C ATOM 992 CD LYS A 65 8.730 -15.895 4.021 1.00 0.00 C ATOM 993 CE LYS A 65 9.845 -16.140 5.026 1.00 0.00 C ATOM 994 NZ LYS A 65 9.703 -17.460 5.702 1.00 0.00 N ATOM 0 H LYS A 65 4.950 -16.841 5.555 1.00 0.00 H new ATOM 0 HA LYS A 65 5.244 -14.095 5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.139 -16.627 3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.333 -15.130 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.666 -14.176 4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.420 -15.623 5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.439 -16.840 3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.095 -15.251 3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.808 -16.094 4.518 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.841 -15.347 5.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.234 -17.451 6.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.698 -17.643 5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.078 -18.208 5.085 1.00 0.00 H new ATOM 1008 N VAL A 66 3.220 -15.601 3.021 1.00 0.00 N ATOM 1009 CA VAL A 66 2.205 -15.369 2.000 1.00 0.00 C ATOM 1010 C VAL A 66 1.118 -14.429 2.509 1.00 0.00 C ATOM 1011 O VAL A 66 0.648 -13.555 1.781 1.00 0.00 O ATOM 1012 CB VAL A 66 1.555 -16.689 1.545 1.00 0.00 C ATOM 1013 CG1 VAL A 66 0.584 -16.439 0.401 1.00 0.00 C ATOM 1014 CG2 VAL A 66 2.621 -17.696 1.140 1.00 0.00 C ATOM 0 H VAL A 66 3.304 -16.573 3.319 1.00 0.00 H new ATOM 0 HA VAL A 66 2.710 -14.909 1.150 1.00 0.00 H new ATOM 0 HB VAL A 66 0.994 -17.105 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.134 -17.383 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.198 -15.755 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.119 -16.000 -0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.144 -18.623 0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.211 -17.290 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.273 -17.897 1.990 1.00 0.00 H new ATOM 1024 N TYR A 67 0.724 -14.614 3.764 1.00 0.00 N ATOM 1025 CA TYR A 67 -0.309 -13.783 4.371 1.00 0.00 C ATOM 1026 C TYR A 67 0.153 -12.334 4.483 1.00 0.00 C ATOM 1027 O TYR A 67 -0.637 -11.404 4.325 1.00 0.00 O ATOM 1028 CB TYR A 67 -0.677 -14.321 5.755 1.00 0.00 C ATOM 1029 CG TYR A 67 -1.882 -13.643 6.367 1.00 0.00 C ATOM 1030 CD1 TYR A 67 -3.131 -13.725 5.764 1.00 0.00 C ATOM 1031 CD2 TYR A 67 -1.772 -12.920 7.549 1.00 0.00 C ATOM 1032 CE1 TYR A 67 -4.235 -13.107 6.320 1.00 0.00 C ATOM 1033 CE2 TYR A 67 -2.870 -12.300 8.112 1.00 0.00 C ATOM 1034 CZ TYR A 67 -4.099 -12.395 7.493 1.00 0.00 C ATOM 1035 OH TYR A 67 -5.196 -11.779 8.050 1.00 0.00 O ATOM 0 H TYR A 67 1.104 -15.332 4.381 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.189 -13.816 3.729 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.872 -15.391 5.680 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.176 -14.198 6.422 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.241 -14.281 4.845 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.811 -12.842 8.036 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.199 -13.181 5.838 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.767 -11.744 9.032 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.930 -11.321 8.874 1.00 0.00 H new ATOM 1045 N ASN A 68 1.441 -12.149 4.757 1.00 0.00 N ATOM 1046 CA ASN A 68 2.010 -10.813 4.890 1.00 0.00 C ATOM 1047 C ASN A 68 1.953 -10.062 3.563 1.00 0.00 C ATOM 1048 O ASN A 68 1.589 -8.887 3.519 1.00 0.00 O ATOM 1049 CB ASN A 68 3.458 -10.900 5.377 1.00 0.00 C ATOM 1050 CG ASN A 68 3.561 -10.890 6.890 1.00 0.00 C ATOM 1051 OD1 ASN A 68 3.277 -9.881 7.536 1.00 0.00 O ATOM 1052 ND2 ASN A 68 3.969 -12.016 7.463 1.00 0.00 N ATOM 0 H ASN A 68 2.110 -12.907 4.891 1.00 0.00 H new ATOM 0 HA ASN A 68 1.418 -10.265 5.623 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.914 -11.811 4.991 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.026 -10.063 4.971 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.058 -12.069 8.478 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.194 -12.828 6.888 1.00 0.00 H new ATOM 1059 N TRP A 69 2.313 -10.749 2.485 1.00 0.00 N ATOM 1060 CA TRP A 69 2.301 -10.147 1.156 1.00 0.00 C ATOM 1061 C TRP A 69 0.874 -9.882 0.692 1.00 0.00 C ATOM 1062 O TRP A 69 0.575 -8.818 0.148 1.00 0.00 O ATOM 1063 CB TRP A 69 3.016 -11.057 0.156 1.00 0.00 C ATOM 1064 CG TRP A 69 3.069 -10.489 -1.230 1.00 0.00 C ATOM 1065 CD1 TRP A 69 4.106 -9.803 -1.795 1.00 0.00 C ATOM 1066 CD2 TRP A 69 2.041 -10.558 -2.224 1.00 0.00 C ATOM 1067 NE1 TRP A 69 3.784 -9.440 -3.081 1.00 0.00 N ATOM 1068 CE2 TRP A 69 2.523 -9.892 -3.369 1.00 0.00 C ATOM 1069 CE3 TRP A 69 0.761 -11.118 -2.260 1.00 0.00 C ATOM 1070 CZ2 TRP A 69 1.769 -9.772 -4.533 1.00 0.00 C ATOM 1071 CZ3 TRP A 69 0.014 -10.997 -3.417 1.00 0.00 C ATOM 1072 CH2 TRP A 69 0.519 -10.330 -4.540 1.00 0.00 C ATOM 0 H TRP A 69 2.617 -11.723 2.505 1.00 0.00 H new ATOM 0 HA TRP A 69 2.828 -9.194 1.210 1.00 0.00 H new ATOM 0 HB2 TRP A 69 4.032 -11.241 0.505 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.510 -12.022 0.127 1.00 0.00 H new ATOM 0 HD1 TRP A 69 5.041 -9.579 -1.304 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.386 -8.919 -3.718 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.363 -11.636 -1.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.156 -9.257 -5.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.977 -11.425 -3.455 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -0.090 -10.254 -5.429 1.00 0.00 H new ATOM 1083 N PHE A 70 -0.005 -10.854 0.908 1.00 0.00 N ATOM 1084 CA PHE A 70 -1.402 -10.725 0.511 1.00 0.00 C ATOM 1085 C PHE A 70 -2.074 -9.572 1.251 1.00 0.00 C ATOM 1086 O PHE A 70 -2.776 -8.760 0.649 1.00 0.00 O ATOM 1087 CB PHE A 70 -2.155 -12.029 0.783 1.00 0.00 C ATOM 1088 CG PHE A 70 -2.130 -12.989 -0.371 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -0.935 -13.539 -0.806 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -3.301 -13.341 -1.022 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -0.908 -14.423 -1.868 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -3.280 -14.225 -2.085 1.00 0.00 C ATOM 1093 CZ PHE A 70 -2.082 -14.765 -2.509 1.00 0.00 C ATOM 0 H PHE A 70 0.225 -11.741 1.356 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.431 -10.513 -0.558 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.721 -12.514 1.658 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.191 -11.796 1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.013 -13.274 -0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.241 -12.920 -0.696 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.030 -14.846 -2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.200 -14.493 -2.583 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.063 -15.454 -3.341 1.00 0.00 H new ATOM 1103 N ALA A 71 -1.853 -9.509 2.560 1.00 0.00 N ATOM 1104 CA ALA A 71 -2.435 -8.455 3.382 1.00 0.00 C ATOM 1105 C ALA A 71 -1.947 -7.080 2.940 1.00 0.00 C ATOM 1106 O ALA A 71 -2.678 -6.095 3.025 1.00 0.00 O ATOM 1107 CB ALA A 71 -2.105 -8.688 4.849 1.00 0.00 C ATOM 0 H ALA A 71 -1.276 -10.175 3.074 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.517 -8.485 3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.546 -7.894 5.452 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.509 -9.650 5.165 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.023 -8.688 4.983 1.00 0.00 H new ATOM 1113 N ASN A 72 -0.705 -7.022 2.469 1.00 0.00 N ATOM 1114 CA ASN A 72 -0.119 -5.766 2.014 1.00 0.00 C ATOM 1115 C ASN A 72 -0.855 -5.234 0.788 1.00 0.00 C ATOM 1116 O ASN A 72 -1.053 -4.027 0.646 1.00 0.00 O ATOM 1117 CB ASN A 72 1.364 -5.960 1.689 1.00 0.00 C ATOM 1118 CG ASN A 72 2.162 -4.680 1.842 1.00 0.00 C ATOM 1119 OD1 ASN A 72 1.610 -3.625 2.158 1.00 0.00 O ATOM 1120 ND2 ASN A 72 3.468 -4.766 1.618 1.00 0.00 N ATOM 0 H ASN A 72 -0.086 -7.829 2.393 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.216 -5.036 2.818 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.780 -6.725 2.345 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.464 -6.327 0.668 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.056 -3.937 1.706 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.883 -5.661 1.358 1.00 0.00 H new ATOM 1127 N ARG A 73 -1.257 -6.143 -0.094 1.00 0.00 N ATOM 1128 CA ARG A 73 -1.971 -5.765 -1.308 1.00 0.00 C ATOM 1129 C ARG A 73 -3.417 -5.392 -0.995 1.00 0.00 C ATOM 1130 O ARG A 73 -3.936 -4.399 -1.506 1.00 0.00 O ATOM 1131 CB ARG A 73 -1.937 -6.910 -2.322 1.00 0.00 C ATOM 1132 CG ARG A 73 -2.945 -6.756 -3.449 1.00 0.00 C ATOM 1133 CD ARG A 73 -2.526 -5.669 -4.427 1.00 0.00 C ATOM 1134 NE ARG A 73 -3.612 -5.296 -5.328 1.00 0.00 N ATOM 1135 CZ ARG A 73 -3.422 -4.698 -6.499 1.00 0.00 C ATOM 1136 NH1 ARG A 73 -2.195 -4.407 -6.908 1.00 0.00 N ATOM 1137 NH2 ARG A 73 -4.462 -4.390 -7.264 1.00 0.00 N ATOM 0 H ARG A 73 -1.101 -7.146 0.009 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.474 -4.894 -1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.936 -6.977 -2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.126 -7.850 -1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.048 -7.703 -3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.923 -6.515 -3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.197 -4.790 -3.873 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.673 -6.016 -5.011 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.569 -5.506 -5.043 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.393 -4.642 -6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.053 -3.948 -7.808 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.408 -4.612 -6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.316 -3.931 -8.163 1.00 0.00 H new ATOM 1151 N ARG A 74 -4.060 -6.193 -0.153 1.00 0.00 N ATOM 1152 CA ARG A 74 -5.447 -5.948 0.227 1.00 0.00 C ATOM 1153 C ARG A 74 -5.602 -4.564 0.851 1.00 0.00 C ATOM 1154 O ARG A 74 -6.533 -3.826 0.528 1.00 0.00 O ATOM 1155 CB ARG A 74 -5.926 -7.019 1.208 1.00 0.00 C ATOM 1156 CG ARG A 74 -5.971 -8.416 0.611 1.00 0.00 C ATOM 1157 CD ARG A 74 -7.064 -9.259 1.249 1.00 0.00 C ATOM 1158 NE ARG A 74 -6.758 -9.592 2.637 1.00 0.00 N ATOM 1159 CZ ARG A 74 -6.008 -10.628 2.997 1.00 0.00 C ATOM 1160 NH1 ARG A 74 -5.490 -11.427 2.075 1.00 0.00 N ATOM 1161 NH2 ARG A 74 -5.775 -10.865 4.281 1.00 0.00 N ATOM 0 H ARG A 74 -3.644 -7.018 0.280 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.059 -5.992 -0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.267 -7.025 2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.921 -6.754 1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.142 -8.348 -0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.006 -8.904 0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.010 -8.719 1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.195 -10.177 0.676 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.141 -8.996 3.371 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.667 -11.247 1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.915 -12.222 2.354 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.172 -10.252 4.993 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.199 -11.661 4.556 1.00 0.00 H new ATOM 1175 N LYS A 75 -4.685 -4.219 1.748 1.00 0.00 N ATOM 1176 CA LYS A 75 -4.718 -2.924 2.418 1.00 0.00 C ATOM 1177 C LYS A 75 -4.365 -1.800 1.449 1.00 0.00 C ATOM 1178 O LYS A 75 -4.874 -0.686 1.565 1.00 0.00 O ATOM 1179 CB LYS A 75 -3.749 -2.915 3.602 1.00 0.00 C ATOM 1180 CG LYS A 75 -2.292 -2.785 3.194 1.00 0.00 C ATOM 1181 CD LYS A 75 -1.395 -2.546 4.398 1.00 0.00 C ATOM 1182 CE LYS A 75 -1.138 -3.833 5.166 1.00 0.00 C ATOM 1183 NZ LYS A 75 -0.921 -3.579 6.617 1.00 0.00 N ATOM 0 H LYS A 75 -3.909 -4.819 2.028 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.731 -2.758 2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.007 -2.090 4.266 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.877 -3.835 4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.976 -3.691 2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.183 -1.961 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.446 -2.123 4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.859 -1.813 5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.985 -4.507 5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.264 -4.336 4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.749 -4.481 7.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.098 -2.956 6.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.764 -3.123 7.019 1.00 0.00 H new