USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 761 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 Single : A 14 THR OG1 : rot 50:sc= -0.231 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 174:sc= -1.38 (180deg=-1.48) USER MOD Single : A 20 SER OG : rot 180:sc= -0.196 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 157:sc= 1.25 (180deg=0.831) USER MOD Single : A 29 GLN : amide:sc= -0.418 X(o=-0.42,f=0) USER MOD Single : A 32 TYR OH : rot 94:sc= 0.951 USER MOD Single : A 35 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 37 TYR OH : rot 155:sc= 1.08 USER MOD Single : A 38 HIS : no HD1:sc= -0.673 X(o=-0.67,f=-0.75) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0197) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 168:sc=-0.00655 (180deg=-0.143) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.0388) USER MOD Single : A 89 LYS NZ :NH3+ -124:sc= 1.2 (180deg=-0.453) USER MOD Single : A 93 TYR OH : rot -95:sc= 0.0832 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -10:sc= 0.526 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -75:sc= 0.896 USER MOD Single : A 114 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.49) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot -77:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 14 9.683 -7.829 -1.405 1.00 0.00 N ATOM 181 CA THR A 14 8.341 -8.236 -0.999 1.00 0.00 C ATOM 182 C THR A 14 7.726 -9.206 -2.006 1.00 0.00 C ATOM 183 O THR A 14 7.170 -10.249 -1.636 1.00 0.00 O ATOM 184 CB THR A 14 7.488 -6.971 -0.800 1.00 0.00 C ATOM 185 OG1 THR A 14 6.288 -7.366 -0.201 1.00 0.00 O ATOM 186 CG2 THR A 14 7.123 -6.176 -2.071 1.00 0.00 C ATOM 0 HA THR A 14 8.385 -8.780 -0.055 1.00 0.00 H new ATOM 0 HB THR A 14 8.104 -6.299 -0.202 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.481 -7.930 0.577 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.522 -5.309 -1.798 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.035 -5.843 -2.567 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.554 -6.813 -2.748 1.00 0.00 H new ATOM 194 N SER A 15 7.878 -8.850 -3.278 1.00 0.00 N ATOM 195 CA SER A 15 7.398 -9.562 -4.444 1.00 0.00 C ATOM 196 C SER A 15 5.896 -9.853 -4.332 1.00 0.00 C ATOM 197 O SER A 15 5.457 -10.984 -4.557 1.00 0.00 O ATOM 198 CB SER A 15 8.261 -10.805 -4.663 1.00 0.00 C ATOM 199 OG SER A 15 9.629 -10.457 -4.774 1.00 0.00 O ATOM 0 H SER A 15 8.375 -7.996 -3.532 1.00 0.00 H new ATOM 0 HA SER A 15 7.499 -8.942 -5.335 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.124 -11.498 -3.833 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.939 -11.322 -5.567 1.00 0.00 H new ATOM 0 HG SER A 15 10.163 -11.267 -4.912 1.00 0.00 H new ATOM 205 N GLU A 16 5.106 -8.852 -3.945 1.00 0.00 N ATOM 206 CA GLU A 16 3.656 -8.930 -3.797 1.00 0.00 C ATOM 207 C GLU A 16 3.011 -7.748 -4.539 1.00 0.00 C ATOM 208 O GLU A 16 3.712 -6.985 -5.214 1.00 0.00 O ATOM 209 CB GLU A 16 3.264 -9.101 -2.312 1.00 0.00 C ATOM 210 CG GLU A 16 3.152 -7.842 -1.443 1.00 0.00 C ATOM 211 CD GLU A 16 2.918 -8.218 0.034 1.00 0.00 C ATOM 212 OE1 GLU A 16 1.995 -9.007 0.344 1.00 0.00 O ATOM 213 OE2 GLU A 16 3.631 -7.727 0.940 1.00 0.00 O ATOM 0 H GLU A 16 5.475 -7.929 -3.717 1.00 0.00 H new ATOM 0 HA GLU A 16 3.253 -9.825 -4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.304 -9.616 -2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.996 -9.762 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.063 -7.250 -1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.331 -7.220 -1.800 1.00 0.00 H new ATOM 220 N THR A 17 1.691 -7.592 -4.493 1.00 0.00 N ATOM 221 CA THR A 17 0.985 -6.497 -5.155 1.00 0.00 C ATOM 222 C THR A 17 0.070 -5.810 -4.146 1.00 0.00 C ATOM 223 O THR A 17 -0.095 -6.299 -3.020 1.00 0.00 O ATOM 224 CB THR A 17 0.290 -7.024 -6.421 1.00 0.00 C ATOM 225 OG1 THR A 17 -0.049 -5.982 -7.307 1.00 0.00 O ATOM 226 CG2 THR A 17 -0.948 -7.885 -6.166 1.00 0.00 C ATOM 0 H THR A 17 1.074 -8.229 -3.990 1.00 0.00 H new ATOM 0 HA THR A 17 1.670 -5.725 -5.505 1.00 0.00 H new ATOM 0 HB THR A 17 1.039 -7.674 -6.874 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.487 -6.356 -8.100 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.368 -8.209 -7.118 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.669 -8.758 -5.576 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.691 -7.302 -5.622 1.00 0.00 H new ATOM 234 N MET A 18 -0.536 -4.680 -4.524 1.00 0.00 N ATOM 235 CA MET A 18 -1.399 -3.965 -3.612 1.00 0.00 C ATOM 236 C MET A 18 -2.567 -4.846 -3.177 1.00 0.00 C ATOM 237 O MET A 18 -2.916 -4.869 -1.999 1.00 0.00 O ATOM 238 CB MET A 18 -1.922 -2.670 -4.251 1.00 0.00 C ATOM 239 CG MET A 18 -0.882 -1.555 -4.324 1.00 0.00 C ATOM 240 SD MET A 18 -0.908 -0.335 -2.969 1.00 0.00 S ATOM 241 CE MET A 18 -1.378 -1.301 -1.504 1.00 0.00 C ATOM 0 H MET A 18 -0.440 -4.254 -5.446 1.00 0.00 H new ATOM 0 HA MET A 18 -0.812 -3.701 -2.732 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.276 -2.890 -5.258 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.781 -2.316 -3.681 1.00 0.00 H new ATOM 0 HG2 MET A 18 0.107 -2.012 -4.354 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.016 -1.023 -5.266 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.316 -0.670 -0.617 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.399 -1.665 -1.620 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.701 -2.148 -1.394 1.00 0.00 H new ATOM 251 N GLU A 19 -3.192 -5.569 -4.115 1.00 0.00 N ATOM 252 CA GLU A 19 -4.343 -6.437 -3.839 1.00 0.00 C ATOM 253 C GLU A 19 -4.051 -7.418 -2.708 1.00 0.00 C ATOM 254 O GLU A 19 -4.876 -7.559 -1.804 1.00 0.00 O ATOM 255 CB GLU A 19 -4.786 -7.146 -5.126 1.00 0.00 C ATOM 256 CG GLU A 19 -5.534 -6.144 -6.014 1.00 0.00 C ATOM 257 CD GLU A 19 -5.940 -6.731 -7.364 1.00 0.00 C ATOM 258 OE1 GLU A 19 -5.029 -6.918 -8.201 1.00 0.00 O ATOM 259 OE2 GLU A 19 -7.158 -6.940 -7.599 1.00 0.00 O ATOM 0 H GLU A 19 -2.910 -5.568 -5.095 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.171 -5.818 -3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.920 -7.544 -5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.430 -7.992 -4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.426 -5.799 -5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.903 -5.271 -6.179 1.00 0.00 H new ATOM 266 N SER A 20 -2.868 -8.034 -2.721 1.00 0.00 N ATOM 267 CA SER A 20 -2.416 -8.997 -1.727 1.00 0.00 C ATOM 268 C SER A 20 -2.380 -8.371 -0.339 1.00 0.00 C ATOM 269 O SER A 20 -2.768 -9.016 0.640 1.00 0.00 O ATOM 270 CB SER A 20 -1.027 -9.503 -2.137 1.00 0.00 C ATOM 271 OG SER A 20 -1.098 -9.907 -3.492 1.00 0.00 O ATOM 0 H SER A 20 -2.177 -7.867 -3.452 1.00 0.00 H new ATOM 0 HA SER A 20 -3.113 -9.834 -1.683 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.281 -8.718 -2.011 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.722 -10.337 -1.505 1.00 0.00 H new ATOM 0 HG SER A 20 -0.221 -10.234 -3.782 1.00 0.00 H new ATOM 277 N LEU A 21 -1.945 -7.113 -0.241 1.00 0.00 N ATOM 278 CA LEU A 21 -1.876 -6.426 1.035 1.00 0.00 C ATOM 279 C LEU A 21 -3.265 -6.339 1.628 1.00 0.00 C ATOM 280 O LEU A 21 -3.484 -6.774 2.757 1.00 0.00 O ATOM 281 CB LEU A 21 -1.373 -4.980 0.877 1.00 0.00 C ATOM 282 CG LEU A 21 0.010 -4.748 0.269 1.00 0.00 C ATOM 283 CD1 LEU A 21 0.543 -3.440 0.837 1.00 0.00 C ATOM 284 CD2 LEU A 21 1.016 -5.850 0.547 1.00 0.00 C ATOM 0 H LEU A 21 -1.636 -6.554 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.190 -6.988 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.098 -4.443 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.383 -4.517 1.864 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.113 -4.727 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.532 -3.240 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.132 -2.626 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.611 -3.516 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.968 -5.601 0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.157 -5.951 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.646 -6.791 0.140 1.00 0.00 H new ATOM 296 N ILE A 22 -4.216 -5.800 0.872 1.00 0.00 N ATOM 297 CA ILE A 22 -5.577 -5.641 1.343 1.00 0.00 C ATOM 298 C ILE A 22 -6.184 -6.998 1.683 1.00 0.00 C ATOM 299 O ILE A 22 -6.825 -7.110 2.723 1.00 0.00 O ATOM 300 CB ILE A 22 -6.423 -4.882 0.312 1.00 0.00 C ATOM 301 CG1 ILE A 22 -5.800 -3.519 -0.043 1.00 0.00 C ATOM 302 CG2 ILE A 22 -7.814 -4.677 0.915 1.00 0.00 C ATOM 303 CD1 ILE A 22 -6.619 -2.808 -1.113 1.00 0.00 C ATOM 0 H ILE A 22 -4.061 -5.464 -0.079 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.565 -5.045 2.256 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.474 -5.461 -0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.743 -2.897 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.779 -3.663 -0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.442 -4.139 0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.262 -5.646 1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.730 -4.100 1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.158 -1.848 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.653 -3.422 -2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.633 -2.645 -0.747 1.00 0.00 H new ATOM 315 N ASP A 23 -5.937 -8.027 0.871 1.00 0.00 N ATOM 316 CA ASP A 23 -6.464 -9.385 1.078 1.00 0.00 C ATOM 317 C ASP A 23 -6.116 -9.889 2.487 1.00 0.00 C ATOM 318 O ASP A 23 -6.906 -10.606 3.106 1.00 0.00 O ATOM 319 CB ASP A 23 -5.914 -10.343 0.001 1.00 0.00 C ATOM 320 CG ASP A 23 -6.958 -11.319 -0.558 1.00 0.00 C ATOM 321 OD1 ASP A 23 -7.661 -12.017 0.212 1.00 0.00 O ATOM 322 OD2 ASP A 23 -7.043 -11.426 -1.799 1.00 0.00 O ATOM 0 H ASP A 23 -5.356 -7.943 0.037 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.550 -9.355 0.988 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.506 -9.754 -0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.088 -10.914 0.425 1.00 0.00 H new ATOM 327 N LYS A 24 -4.957 -9.460 3.013 1.00 0.00 N ATOM 328 CA LYS A 24 -4.451 -9.822 4.340 1.00 0.00 C ATOM 329 C LYS A 24 -4.729 -8.740 5.393 1.00 0.00 C ATOM 330 O LYS A 24 -4.592 -8.996 6.588 1.00 0.00 O ATOM 331 CB LYS A 24 -2.943 -10.142 4.202 1.00 0.00 C ATOM 332 CG LYS A 24 -1.978 -9.157 4.878 1.00 0.00 C ATOM 333 CD LYS A 24 -1.654 -9.595 6.318 1.00 0.00 C ATOM 334 CE LYS A 24 -1.474 -8.412 7.276 1.00 0.00 C ATOM 335 NZ LYS A 24 -1.580 -8.795 8.692 1.00 0.00 N ATOM 0 H LYS A 24 -4.330 -8.833 2.509 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.980 -10.702 4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.764 -11.135 4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.698 -10.189 3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.057 -9.091 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.420 -8.161 4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.455 -10.235 6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.743 -10.194 6.314 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.500 -7.956 7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.225 -7.654 7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.450 -7.954 9.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.519 -9.205 8.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.847 -9.497 8.918 1.00 0.00 H new ATOM 349 N GLY A 25 -5.127 -7.541 4.985 1.00 0.00 N ATOM 350 CA GLY A 25 -5.435 -6.435 5.872 1.00 0.00 C ATOM 351 C GLY A 25 -4.244 -5.522 6.123 1.00 0.00 C ATOM 352 O GLY A 25 -4.149 -4.925 7.199 1.00 0.00 O ATOM 0 H GLY A 25 -5.247 -7.309 3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.250 -5.850 5.445 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.790 -6.829 6.824 1.00 0.00 H new ATOM 356 N LYS A 26 -3.311 -5.418 5.175 1.00 0.00 N ATOM 357 CA LYS A 26 -2.126 -4.563 5.283 1.00 0.00 C ATOM 358 C LYS A 26 -2.511 -3.142 4.851 1.00 0.00 C ATOM 359 O LYS A 26 -2.077 -2.661 3.809 1.00 0.00 O ATOM 360 CB LYS A 26 -0.951 -5.137 4.453 1.00 0.00 C ATOM 361 CG LYS A 26 -0.001 -6.044 5.234 1.00 0.00 C ATOM 362 CD LYS A 26 1.306 -6.368 4.485 1.00 0.00 C ATOM 363 CE LYS A 26 1.332 -7.798 3.927 1.00 0.00 C ATOM 364 NZ LYS A 26 2.666 -8.185 3.426 1.00 0.00 N ATOM 0 H LYS A 26 -3.358 -5.934 4.296 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.777 -4.531 6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.358 -5.698 3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.379 -4.308 4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.244 -5.567 6.183 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.515 -6.976 5.469 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.435 -5.661 3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.150 -6.231 5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.024 -8.495 4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.605 -7.883 3.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.750 -9.222 3.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.790 -7.829 2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.399 -7.778 4.041 1.00 0.00 H new ATOM 378 N LEU A 27 -3.331 -2.454 5.649 1.00 0.00 N ATOM 379 CA LEU A 27 -3.762 -1.078 5.361 1.00 0.00 C ATOM 380 C LEU A 27 -2.801 -0.062 5.990 1.00 0.00 C ATOM 381 O LEU A 27 -3.045 1.141 5.913 1.00 0.00 O ATOM 382 CB LEU A 27 -5.216 -0.794 5.801 1.00 0.00 C ATOM 383 CG LEU A 27 -6.336 -1.582 5.093 1.00 0.00 C ATOM 384 CD1 LEU A 27 -6.138 -1.733 3.583 1.00 0.00 C ATOM 385 CD2 LEU A 27 -6.454 -2.981 5.676 1.00 0.00 C ATOM 0 H LEU A 27 -3.717 -2.833 6.514 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.736 -0.969 4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.289 -0.991 6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.410 0.269 5.659 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.238 -0.993 5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.969 -2.299 3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.100 -0.747 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.204 -2.261 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.249 -3.523 5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.511 -3.511 5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.686 -2.914 6.739 1.00 0.00 H new ATOM 397 N ASP A 28 -1.699 -0.522 6.588 1.00 0.00 N ATOM 398 CA ASP A 28 -0.682 0.309 7.242 1.00 0.00 C ATOM 399 C ASP A 28 0.630 0.348 6.434 1.00 0.00 C ATOM 400 O ASP A 28 1.645 0.870 6.910 1.00 0.00 O ATOM 401 CB ASP A 28 -0.444 -0.189 8.678 1.00 0.00 C ATOM 402 CG ASP A 28 -1.632 0.043 9.611 1.00 0.00 C ATOM 403 OD1 ASP A 28 -1.992 1.221 9.852 1.00 0.00 O ATOM 404 OD2 ASP A 28 -2.208 -0.954 10.104 1.00 0.00 O ATOM 0 H ASP A 28 -1.482 -1.518 6.632 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.052 1.333 7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.217 -1.255 8.651 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.432 0.314 9.087 1.00 0.00 H new ATOM 409 N GLN A 29 0.647 -0.231 5.229 1.00 0.00 N ATOM 410 CA GLN A 29 1.792 -0.301 4.313 1.00 0.00 C ATOM 411 C GLN A 29 1.259 -0.456 2.882 1.00 0.00 C ATOM 412 O GLN A 29 0.148 -0.960 2.724 1.00 0.00 O ATOM 413 CB GLN A 29 2.709 -1.470 4.714 1.00 0.00 C ATOM 414 CG GLN A 29 2.076 -2.821 5.057 1.00 0.00 C ATOM 415 CD GLN A 29 2.868 -3.529 6.152 1.00 0.00 C ATOM 416 OE1 GLN A 29 2.303 -3.999 7.135 1.00 0.00 O ATOM 417 NE2 GLN A 29 4.179 -3.621 6.029 1.00 0.00 N ATOM 0 H GLN A 29 -0.181 -0.688 4.846 1.00 0.00 H new ATOM 0 HA GLN A 29 2.388 0.610 4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.412 -1.633 3.897 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.292 -1.150 5.577 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.047 -2.673 5.384 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.040 -3.447 4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.643 -3.229 5.210 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.728 -4.085 6.753 1.00 0.00 H new ATOM 426 N VAL A 30 2.016 -0.060 1.850 1.00 0.00 N ATOM 427 CA VAL A 30 1.586 -0.174 0.442 1.00 0.00 C ATOM 428 C VAL A 30 2.716 -0.659 -0.476 1.00 0.00 C ATOM 429 O VAL A 30 3.875 -0.647 -0.048 1.00 0.00 O ATOM 430 CB VAL A 30 0.989 1.145 -0.085 1.00 0.00 C ATOM 431 CG1 VAL A 30 -0.123 1.714 0.803 1.00 0.00 C ATOM 432 CG2 VAL A 30 2.033 2.230 -0.314 1.00 0.00 C ATOM 0 H VAL A 30 2.944 0.349 1.963 1.00 0.00 H new ATOM 0 HA VAL A 30 0.801 -0.931 0.426 1.00 0.00 H new ATOM 0 HB VAL A 30 0.557 0.862 -1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.495 2.642 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.938 0.993 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.272 1.912 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.545 3.132 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.540 2.452 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.762 1.884 -1.047 1.00 0.00 H new ATOM 442 N VAL A 31 2.394 -1.035 -1.728 1.00 0.00 N ATOM 443 CA VAL A 31 3.350 -1.495 -2.722 1.00 0.00 C ATOM 444 C VAL A 31 3.339 -0.565 -3.934 1.00 0.00 C ATOM 445 O VAL A 31 2.278 -0.240 -4.461 1.00 0.00 O ATOM 446 CB VAL A 31 3.082 -2.936 -3.227 1.00 0.00 C ATOM 447 CG1 VAL A 31 4.308 -3.666 -3.746 1.00 0.00 C ATOM 448 CG2 VAL A 31 2.442 -3.875 -2.218 1.00 0.00 C ATOM 0 H VAL A 31 1.434 -1.023 -2.073 1.00 0.00 H new ATOM 0 HA VAL A 31 4.317 -1.490 -2.219 1.00 0.00 H new ATOM 0 HB VAL A 31 2.383 -2.725 -4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.024 -4.665 -4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.733 -3.113 -4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.049 -3.745 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.299 -4.855 -2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.091 -3.971 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.477 -3.474 -1.909 1.00 0.00 H new ATOM 458 N TYR A 32 4.511 -0.155 -4.401 1.00 0.00 N ATOM 459 CA TYR A 32 4.702 0.690 -5.580 1.00 0.00 C ATOM 460 C TYR A 32 6.060 0.276 -6.132 1.00 0.00 C ATOM 461 O TYR A 32 7.013 0.093 -5.378 1.00 0.00 O ATOM 462 CB TYR A 32 4.583 2.205 -5.305 1.00 0.00 C ATOM 463 CG TYR A 32 5.305 3.116 -6.306 1.00 0.00 C ATOM 464 CD1 TYR A 32 5.078 3.023 -7.694 1.00 0.00 C ATOM 465 CD2 TYR A 32 6.303 3.997 -5.849 1.00 0.00 C ATOM 466 CE1 TYR A 32 5.924 3.700 -8.598 1.00 0.00 C ATOM 467 CE2 TYR A 32 7.175 4.643 -6.738 1.00 0.00 C ATOM 468 CZ TYR A 32 7.016 4.464 -8.124 1.00 0.00 C ATOM 469 OH TYR A 32 7.917 5.023 -8.980 1.00 0.00 O ATOM 0 H TYR A 32 5.391 -0.410 -3.954 1.00 0.00 H new ATOM 0 HA TYR A 32 3.903 0.536 -6.306 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.526 2.473 -5.293 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.974 2.408 -4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.254 2.432 -8.067 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.400 4.180 -4.789 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.736 3.634 -9.660 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.965 5.275 -6.360 1.00 0.00 H new ATOM 0 HH TYR A 32 7.649 5.944 -9.182 1.00 0.00 H new ATOM 479 N ASP A 33 6.117 0.103 -7.451 1.00 0.00 N ATOM 480 CA ASP A 33 7.291 -0.305 -8.217 1.00 0.00 C ATOM 481 C ASP A 33 7.924 -1.578 -7.688 1.00 0.00 C ATOM 482 O ASP A 33 9.144 -1.683 -7.608 1.00 0.00 O ATOM 483 CB ASP A 33 8.318 0.813 -8.397 1.00 0.00 C ATOM 484 CG ASP A 33 9.106 0.641 -9.708 1.00 0.00 C ATOM 485 OD1 ASP A 33 9.076 -0.430 -10.369 1.00 0.00 O ATOM 486 OD2 ASP A 33 9.610 1.668 -10.215 1.00 0.00 O ATOM 0 H ASP A 33 5.301 0.252 -8.045 1.00 0.00 H new ATOM 0 HA ASP A 33 6.915 -0.532 -9.215 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.812 1.778 -8.398 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.008 0.816 -7.553 1.00 0.00 H new ATOM 491 N ASP A 34 7.067 -2.538 -7.323 1.00 0.00 N ATOM 492 CA ASP A 34 7.484 -3.839 -6.804 1.00 0.00 C ATOM 493 C ASP A 34 8.239 -3.728 -5.483 1.00 0.00 C ATOM 494 O ASP A 34 9.145 -4.512 -5.213 1.00 0.00 O ATOM 495 CB ASP A 34 8.338 -4.529 -7.871 1.00 0.00 C ATOM 496 CG ASP A 34 8.373 -6.046 -7.753 1.00 0.00 C ATOM 497 OD1 ASP A 34 7.291 -6.657 -7.591 1.00 0.00 O ATOM 498 OD2 ASP A 34 9.415 -6.642 -8.096 1.00 0.00 O ATOM 0 H ASP A 34 6.054 -2.429 -7.381 1.00 0.00 H new ATOM 0 HA ASP A 34 6.595 -4.432 -6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.956 -4.261 -8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.357 -4.147 -7.809 1.00 0.00 H new ATOM 503 N GLN A 35 7.909 -2.715 -4.679 1.00 0.00 N ATOM 504 CA GLN A 35 8.547 -2.493 -3.387 1.00 0.00 C ATOM 505 C GLN A 35 7.483 -2.300 -2.339 1.00 0.00 C ATOM 506 O GLN A 35 6.392 -1.859 -2.675 1.00 0.00 O ATOM 507 CB GLN A 35 9.416 -1.240 -3.364 1.00 0.00 C ATOM 508 CG GLN A 35 10.426 -1.064 -4.491 1.00 0.00 C ATOM 509 CD GLN A 35 11.421 -2.188 -4.744 1.00 0.00 C ATOM 510 OE1 GLN A 35 11.658 -3.075 -3.798 1.00 0.00 O flip ATOM 511 NE2 GLN A 35 12.114 -2.191 -5.755 1.00 0.00 N flip ATOM 0 H GLN A 35 7.191 -2.027 -4.909 1.00 0.00 H new ATOM 0 HA GLN A 35 9.174 -3.364 -3.196 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.756 -0.373 -3.365 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.960 -1.225 -2.419 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.870 -0.897 -5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.993 -0.155 -4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.941 -1.510 -6.494 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.864 -2.875 -5.857 1.00 0.00 H new ATOM 520 N LEU A 36 7.817 -2.587 -1.085 1.00 0.00 N ATOM 521 CA LEU A 36 6.909 -2.475 0.053 1.00 0.00 C ATOM 522 C LEU A 36 7.410 -1.387 0.969 1.00 0.00 C ATOM 523 O LEU A 36 8.582 -1.387 1.366 1.00 0.00 O ATOM 524 CB LEU A 36 6.822 -3.800 0.821 1.00 0.00 C ATOM 525 CG LEU A 36 5.656 -3.943 1.816 1.00 0.00 C ATOM 526 CD1 LEU A 36 4.295 -3.945 1.122 1.00 0.00 C ATOM 527 CD2 LEU A 36 5.797 -5.294 2.514 1.00 0.00 C ATOM 0 H LEU A 36 8.748 -2.912 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 36 5.911 -2.232 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.753 -4.611 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.755 -3.940 1.367 1.00 0.00 H new ATOM 0 HG LEU A 36 5.700 -3.097 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.507 -4.048 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.162 -3.009 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.244 -4.780 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.982 -5.422 3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.760 -6.092 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.750 -5.333 3.042 1.00 0.00 H new ATOM 539 N TYR A 37 6.512 -0.472 1.303 1.00 0.00 N ATOM 540 CA TYR A 37 6.809 0.641 2.178 1.00 0.00 C ATOM 541 C TYR A 37 5.892 0.584 3.386 1.00 0.00 C ATOM 542 O TYR A 37 4.749 0.152 3.277 1.00 0.00 O ATOM 543 CB TYR A 37 6.611 1.985 1.477 1.00 0.00 C ATOM 544 CG TYR A 37 7.045 2.104 0.036 1.00 0.00 C ATOM 545 CD1 TYR A 37 8.351 1.760 -0.359 1.00 0.00 C ATOM 546 CD2 TYR A 37 6.154 2.681 -0.883 1.00 0.00 C ATOM 547 CE1 TYR A 37 8.785 2.031 -1.670 1.00 0.00 C ATOM 548 CE2 TYR A 37 6.596 2.992 -2.172 1.00 0.00 C ATOM 549 CZ TYR A 37 7.912 2.672 -2.571 1.00 0.00 C ATOM 550 OH TYR A 37 8.345 3.070 -3.791 1.00 0.00 O ATOM 0 H TYR A 37 5.549 -0.486 0.968 1.00 0.00 H new ATOM 0 HA TYR A 37 7.854 0.561 2.476 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.551 2.235 1.528 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.146 2.742 2.050 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.021 1.288 0.344 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.133 2.883 -0.596 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.780 1.750 -1.983 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.928 3.479 -2.866 1.00 0.00 H new ATOM 0 HH TYR A 37 7.585 3.123 -4.407 1.00 0.00 H new ATOM 560 N HIS A 38 6.367 1.091 4.515 1.00 0.00 N ATOM 561 CA HIS A 38 5.679 1.155 5.791 1.00 0.00 C ATOM 562 C HIS A 38 5.267 2.581 6.101 1.00 0.00 C ATOM 563 O HIS A 38 6.114 3.466 6.074 1.00 0.00 O ATOM 564 CB HIS A 38 6.627 0.655 6.892 1.00 0.00 C ATOM 565 CG HIS A 38 6.052 -0.471 7.727 1.00 0.00 C ATOM 566 ND1 HIS A 38 6.757 -1.368 8.505 1.00 0.00 N ATOM 567 CD2 HIS A 38 4.719 -0.765 7.878 1.00 0.00 C ATOM 568 CE1 HIS A 38 5.870 -2.214 9.056 1.00 0.00 C ATOM 569 NE2 HIS A 38 4.617 -1.879 8.708 1.00 0.00 N ATOM 0 H HIS A 38 7.303 1.493 4.564 1.00 0.00 H new ATOM 0 HA HIS A 38 4.785 0.532 5.746 1.00 0.00 H new ATOM 0 HB2 HIS A 38 7.556 0.317 6.433 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.880 1.489 7.547 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.895 -0.227 7.432 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.129 -3.048 9.691 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.758 -2.349 8.995 1.00 0.00 H new ATOM 577 N LEU A 39 3.994 2.824 6.403 1.00 0.00 N ATOM 578 CA LEU A 39 3.498 4.163 6.728 1.00 0.00 C ATOM 579 C LEU A 39 3.916 4.541 8.142 1.00 0.00 C ATOM 580 O LEU A 39 3.700 3.747 9.063 1.00 0.00 O ATOM 581 CB LEU A 39 1.967 4.195 6.632 1.00 0.00 C ATOM 582 CG LEU A 39 1.468 3.812 5.234 1.00 0.00 C ATOM 583 CD1 LEU A 39 -0.037 3.658 5.228 1.00 0.00 C ATOM 584 CD2 LEU A 39 1.835 4.872 4.189 1.00 0.00 C ATOM 0 H LEU A 39 3.276 2.100 6.430 1.00 0.00 H new ATOM 0 HA LEU A 39 3.922 4.874 6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.544 3.511 7.367 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.609 5.194 6.883 1.00 0.00 H new ATOM 0 HG LEU A 39 1.951 2.869 4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.371 3.386 4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.326 2.877 5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.500 4.600 5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.464 4.563 3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.384 5.825 4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.919 4.982 4.147 1.00 0.00 H new ATOM 596 N LYS A 40 4.478 5.735 8.332 1.00 0.00 N ATOM 597 CA LYS A 40 4.913 6.211 9.642 1.00 0.00 C ATOM 598 C LYS A 40 3.997 7.328 10.112 1.00 0.00 C ATOM 599 O LYS A 40 3.223 7.141 11.053 1.00 0.00 O ATOM 600 CB LYS A 40 6.394 6.639 9.644 1.00 0.00 C ATOM 601 CG LYS A 40 7.397 5.626 9.076 1.00 0.00 C ATOM 602 CD LYS A 40 7.342 4.180 9.596 1.00 0.00 C ATOM 603 CE LYS A 40 8.459 3.741 10.560 1.00 0.00 C ATOM 604 NZ LYS A 40 8.389 4.342 11.909 1.00 0.00 N ATOM 0 H LYS A 40 4.644 6.401 7.577 1.00 0.00 H new ATOM 0 HA LYS A 40 4.841 5.384 10.348 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.483 7.564 9.075 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.682 6.867 10.670 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.264 5.596 7.995 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.400 6.009 9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.385 4.037 10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.354 3.510 8.736 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.427 2.656 10.659 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.422 3.992 10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.178 3.990 12.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.451 5.377 11.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.488 4.082 12.358 1.00 0.00 H new ATOM 618 N GLU A 41 4.062 8.481 9.448 1.00 0.00 N ATOM 619 CA GLU A 41 3.235 9.639 9.817 1.00 0.00 C ATOM 620 C GLU A 41 2.504 10.263 8.635 1.00 0.00 C ATOM 621 O GLU A 41 2.814 9.989 7.478 1.00 0.00 O ATOM 622 CB GLU A 41 4.070 10.688 10.581 1.00 0.00 C ATOM 623 CG GLU A 41 4.964 11.522 9.656 1.00 0.00 C ATOM 624 CD GLU A 41 6.007 12.354 10.406 1.00 0.00 C ATOM 625 OE1 GLU A 41 7.122 11.842 10.665 1.00 0.00 O ATOM 626 OE2 GLU A 41 5.794 13.561 10.661 1.00 0.00 O ATOM 0 H GLU A 41 4.678 8.643 8.651 1.00 0.00 H new ATOM 0 HA GLU A 41 2.457 9.263 10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.400 11.352 11.127 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.691 10.183 11.321 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.474 10.857 8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.338 12.188 9.062 1.00 0.00 H new ATOM 633 N LYS A 42 1.498 11.077 8.947 1.00 0.00 N ATOM 634 CA LYS A 42 0.693 11.803 7.963 1.00 0.00 C ATOM 635 C LYS A 42 1.489 13.073 7.681 1.00 0.00 C ATOM 636 O LYS A 42 2.060 13.648 8.612 1.00 0.00 O ATOM 637 CB LYS A 42 -0.739 12.085 8.481 1.00 0.00 C ATOM 638 CG LYS A 42 -1.764 12.419 7.380 1.00 0.00 C ATOM 639 CD LYS A 42 -1.703 13.857 6.838 1.00 0.00 C ATOM 640 CE LYS A 42 -2.802 14.751 7.405 1.00 0.00 C ATOM 641 NZ LYS A 42 -2.609 16.165 6.997 1.00 0.00 N ATOM 0 H LYS A 42 1.213 11.255 9.910 1.00 0.00 H new ATOM 0 HA LYS A 42 0.530 11.228 7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.090 11.213 9.034 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.699 12.915 9.186 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.618 11.729 6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.765 12.238 7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.731 14.289 7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.784 13.834 5.751 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.774 14.400 7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.806 14.681 8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.371 16.749 7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.691 16.505 7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.629 16.233 5.959 1.00 0.00 H new ATOM 655 N VAL A 43 1.559 13.515 6.434 1.00 0.00 N ATOM 656 CA VAL A 43 2.290 14.708 6.035 1.00 0.00 C ATOM 657 C VAL A 43 1.419 15.575 5.127 1.00 0.00 C ATOM 658 O VAL A 43 0.304 15.195 4.769 1.00 0.00 O ATOM 659 CB VAL A 43 3.625 14.302 5.385 1.00 0.00 C ATOM 660 CG1 VAL A 43 4.518 13.521 6.352 1.00 0.00 C ATOM 661 CG2 VAL A 43 3.454 13.474 4.110 1.00 0.00 C ATOM 0 H VAL A 43 1.099 13.044 5.655 1.00 0.00 H new ATOM 0 HA VAL A 43 2.531 15.315 6.908 1.00 0.00 H new ATOM 0 HB VAL A 43 4.099 15.247 5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.449 13.254 5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.737 14.138 7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.004 12.614 6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.434 13.223 3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.911 12.557 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.894 14.051 3.374 1.00 0.00 H new ATOM 671 N ASP A 44 1.913 16.760 4.785 1.00 0.00 N ATOM 672 CA ASP A 44 1.234 17.716 3.925 1.00 0.00 C ATOM 673 C ASP A 44 1.805 17.737 2.505 1.00 0.00 C ATOM 674 O ASP A 44 2.849 17.141 2.223 1.00 0.00 O ATOM 675 CB ASP A 44 1.331 19.113 4.545 1.00 0.00 C ATOM 676 CG ASP A 44 0.258 19.999 3.931 1.00 0.00 C ATOM 677 OD1 ASP A 44 -0.943 19.692 4.120 1.00 0.00 O ATOM 678 OD2 ASP A 44 0.626 20.920 3.174 1.00 0.00 O ATOM 0 H ASP A 44 2.823 17.089 5.109 1.00 0.00 H new ATOM 0 HA ASP A 44 0.192 17.406 3.846 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.200 19.056 5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.319 19.537 4.366 1.00 0.00 H new ATOM 683 N GLU A 45 1.144 18.451 1.594 1.00 0.00 N ATOM 684 CA GLU A 45 1.581 18.611 0.214 1.00 0.00 C ATOM 685 C GLU A 45 2.828 19.506 0.155 1.00 0.00 C ATOM 686 O GLU A 45 3.485 19.583 -0.875 1.00 0.00 O ATOM 687 CB GLU A 45 0.466 19.173 -0.672 1.00 0.00 C ATOM 688 CG GLU A 45 -0.203 20.434 -0.111 1.00 0.00 C ATOM 689 CD GLU A 45 -0.975 21.195 -1.186 1.00 0.00 C ATOM 690 OE1 GLU A 45 -1.576 20.568 -2.091 1.00 0.00 O ATOM 691 OE2 GLU A 45 -0.959 22.449 -1.144 1.00 0.00 O ATOM 0 H GLU A 45 0.274 18.942 1.802 1.00 0.00 H new ATOM 0 HA GLU A 45 1.835 17.625 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.877 19.400 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.293 18.404 -0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.882 20.157 0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.556 21.086 0.321 1.00 0.00 H new ATOM 698 N ASP A 46 3.177 20.175 1.252 1.00 0.00 N ATOM 699 CA ASP A 46 4.355 21.027 1.342 1.00 0.00 C ATOM 700 C ASP A 46 5.581 20.167 1.685 1.00 0.00 C ATOM 701 O ASP A 46 6.715 20.642 1.666 1.00 0.00 O ATOM 702 CB ASP A 46 4.117 22.088 2.424 1.00 0.00 C ATOM 703 CG ASP A 46 5.307 23.038 2.552 1.00 0.00 C ATOM 704 OD1 ASP A 46 5.716 23.641 1.540 1.00 0.00 O ATOM 705 OD2 ASP A 46 5.862 23.175 3.668 1.00 0.00 O ATOM 0 H ASP A 46 2.638 20.138 2.117 1.00 0.00 H new ATOM 0 HA ASP A 46 4.537 21.525 0.390 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.220 22.658 2.184 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.937 21.598 3.381 1.00 0.00 H new ATOM 710 N LYS A 47 5.399 18.870 1.979 1.00 0.00 N ATOM 711 CA LYS A 47 6.489 17.963 2.363 1.00 0.00 C ATOM 712 C LYS A 47 6.982 17.051 1.238 1.00 0.00 C ATOM 713 O LYS A 47 8.000 16.372 1.380 1.00 0.00 O ATOM 714 CB LYS A 47 6.074 17.129 3.581 1.00 0.00 C ATOM 715 CG LYS A 47 5.163 17.818 4.611 1.00 0.00 C ATOM 716 CD LYS A 47 5.637 19.173 5.146 1.00 0.00 C ATOM 717 CE LYS A 47 4.970 19.482 6.489 1.00 0.00 C ATOM 718 NZ LYS A 47 5.581 18.750 7.611 1.00 0.00 N ATOM 0 H LYS A 47 4.484 18.419 1.956 1.00 0.00 H new ATOM 0 HA LYS A 47 7.335 18.604 2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.567 16.233 3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.979 16.800 4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.180 17.955 4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.034 17.143 5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.720 19.165 5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.401 19.957 4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.032 20.553 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.911 19.230 6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.184 19.096 8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.381 17.734 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.610 18.902 7.606 1.00 0.00 H new ATOM 732 N LYS A 48 6.229 16.977 0.145 1.00 0.00 N ATOM 733 CA LYS A 48 6.556 16.173 -1.038 1.00 0.00 C ATOM 734 C LYS A 48 7.550 16.917 -1.928 1.00 0.00 C ATOM 735 O LYS A 48 7.201 17.858 -2.644 1.00 0.00 O ATOM 736 CB LYS A 48 5.305 15.781 -1.837 1.00 0.00 C ATOM 737 CG LYS A 48 4.317 16.934 -1.981 1.00 0.00 C ATOM 738 CD LYS A 48 3.718 17.088 -3.376 1.00 0.00 C ATOM 739 CE LYS A 48 2.354 17.758 -3.310 1.00 0.00 C ATOM 740 NZ LYS A 48 2.008 18.410 -4.581 1.00 0.00 N ATOM 0 H LYS A 48 5.350 17.486 0.051 1.00 0.00 H new ATOM 0 HA LYS A 48 7.015 15.249 -0.686 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.604 15.437 -2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.811 14.943 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.507 16.792 -1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.821 17.862 -1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.388 17.679 -4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.624 16.109 -3.846 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.595 17.016 -3.063 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.350 18.497 -2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.072 18.856 -4.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.719 19.136 -4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.988 17.700 -5.341 1.00 0.00 H new ATOM 754 N GLY A 49 8.783 16.435 -1.936 1.00 0.00 N ATOM 755 CA GLY A 49 9.865 17.006 -2.719 1.00 0.00 C ATOM 756 C GLY A 49 9.683 16.798 -4.217 1.00 0.00 C ATOM 757 O GLY A 49 10.197 17.597 -4.995 1.00 0.00 O ATOM 0 H GLY A 49 9.064 15.622 -1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.934 18.074 -2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.809 16.559 -2.407 1.00 0.00 H new ATOM 761 N LYS A 50 8.961 15.752 -4.650 1.00 0.00 N ATOM 762 CA LYS A 50 8.742 15.445 -6.067 1.00 0.00 C ATOM 763 C LYS A 50 7.868 14.209 -6.234 1.00 0.00 C ATOM 764 O LYS A 50 7.933 13.310 -5.397 1.00 0.00 O ATOM 765 CB LYS A 50 10.096 15.171 -6.759 1.00 0.00 C ATOM 766 CG LYS A 50 11.021 14.198 -5.998 1.00 0.00 C ATOM 767 CD LYS A 50 12.468 14.280 -6.482 1.00 0.00 C ATOM 768 CE LYS A 50 12.755 13.628 -7.835 1.00 0.00 C ATOM 769 NZ LYS A 50 13.103 12.199 -7.710 1.00 0.00 N ATOM 0 H LYS A 50 8.510 15.091 -4.018 1.00 0.00 H new ATOM 0 HA LYS A 50 8.244 16.304 -6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.906 14.768 -7.754 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.619 16.118 -6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.983 14.422 -4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.655 13.179 -6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.753 15.330 -6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.109 13.815 -5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.880 13.731 -8.477 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.573 14.157 -8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.288 11.803 -8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.953 12.099 -7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.313 11.687 -7.269 1.00 0.00 H new ATOM 783 N VAL A 51 7.046 14.158 -7.284 1.00 0.00 N ATOM 784 CA VAL A 51 6.198 13.009 -7.618 1.00 0.00 C ATOM 785 C VAL A 51 7.182 11.952 -8.127 1.00 0.00 C ATOM 786 O VAL A 51 8.205 12.302 -8.724 1.00 0.00 O ATOM 787 CB VAL A 51 5.157 13.422 -8.690 1.00 0.00 C ATOM 788 CG1 VAL A 51 4.710 12.287 -9.622 1.00 0.00 C ATOM 789 CG2 VAL A 51 3.910 14.012 -8.027 1.00 0.00 C ATOM 0 H VAL A 51 6.948 14.932 -7.942 1.00 0.00 H new ATOM 0 HA VAL A 51 5.618 12.629 -6.777 1.00 0.00 H new ATOM 0 HB VAL A 51 5.673 14.159 -9.305 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.982 12.669 -10.338 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.574 11.894 -10.158 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.256 11.490 -9.033 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.190 14.296 -8.794 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.463 13.269 -7.367 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.188 14.892 -7.447 1.00 0.00 H new ATOM 799 N ILE A 52 6.897 10.673 -7.889 1.00 0.00 N ATOM 800 CA ILE A 52 7.758 9.571 -8.335 1.00 0.00 C ATOM 801 C ILE A 52 6.953 8.426 -8.948 1.00 0.00 C ATOM 802 O ILE A 52 7.467 7.696 -9.789 1.00 0.00 O ATOM 803 CB ILE A 52 8.665 9.074 -7.185 1.00 0.00 C ATOM 804 CG1 ILE A 52 7.870 8.454 -6.014 1.00 0.00 C ATOM 805 CG2 ILE A 52 9.557 10.214 -6.668 1.00 0.00 C ATOM 806 CD1 ILE A 52 8.766 7.846 -4.932 1.00 0.00 C ATOM 0 H ILE A 52 6.065 10.368 -7.383 1.00 0.00 H new ATOM 0 HA ILE A 52 8.401 9.961 -9.124 1.00 0.00 H new ATOM 0 HB ILE A 52 9.287 8.283 -7.604 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.239 9.221 -5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.206 7.682 -6.403 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.188 9.844 -5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.185 10.581 -7.480 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.931 11.026 -6.298 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.146 7.428 -4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.379 7.057 -5.368 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.412 8.620 -4.518 1.00 0.00 H new ATOM 818 N GLY A 53 5.686 8.269 -8.566 1.00 0.00 N ATOM 819 CA GLY A 53 4.831 7.204 -9.076 1.00 0.00 C ATOM 820 C GLY A 53 3.392 7.517 -8.725 1.00 0.00 C ATOM 821 O GLY A 53 3.132 8.562 -8.131 1.00 0.00 O ATOM 0 H GLY A 53 5.225 8.880 -7.892 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.944 7.115 -10.156 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.124 6.247 -8.645 1.00 0.00 H new ATOM 825 N ALA A 54 2.447 6.648 -9.074 1.00 0.00 N ATOM 826 CA ALA A 54 1.037 6.835 -8.800 1.00 0.00 C ATOM 827 C ALA A 54 0.329 5.503 -8.565 1.00 0.00 C ATOM 828 O ALA A 54 0.277 4.691 -9.488 1.00 0.00 O ATOM 829 CB ALA A 54 0.391 7.580 -9.975 1.00 0.00 C ATOM 0 H ALA A 54 2.651 5.778 -9.565 1.00 0.00 H new ATOM 0 HA ALA A 54 0.936 7.423 -7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.671 7.724 -9.775 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.872 8.550 -10.099 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.512 6.996 -10.887 1.00 0.00 H new ATOM 835 N ILE A 55 -0.192 5.255 -7.357 1.00 0.00 N ATOM 836 CA ILE A 55 -0.902 4.002 -7.095 1.00 0.00 C ATOM 837 C ILE A 55 -2.259 4.167 -7.788 1.00 0.00 C ATOM 838 O ILE A 55 -2.587 3.397 -8.687 1.00 0.00 O ATOM 839 CB ILE A 55 -0.974 3.751 -5.575 1.00 0.00 C ATOM 840 CG1 ILE A 55 0.429 3.457 -4.999 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.914 2.595 -5.246 1.00 0.00 C ATOM 842 CD1 ILE A 55 0.474 3.584 -3.475 1.00 0.00 C ATOM 0 H ILE A 55 -0.137 5.892 -6.562 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.406 3.114 -7.488 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.366 4.659 -5.116 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.732 2.450 -5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.151 4.145 -5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.942 2.445 -4.167 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.916 2.827 -5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.556 1.686 -5.730 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.482 3.367 -3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.198 4.598 -3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.226 2.877 -3.030 1.00 0.00 H new ATOM 854 N GLY A 56 -3.031 5.193 -7.409 1.00 0.00 N ATOM 855 CA GLY A 56 -4.337 5.530 -7.974 1.00 0.00 C ATOM 856 C GLY A 56 -5.381 4.419 -8.069 1.00 0.00 C ATOM 857 O GLY A 56 -6.340 4.580 -8.827 1.00 0.00 O ATOM 0 H GLY A 56 -2.748 5.836 -6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.761 6.338 -7.378 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.176 5.925 -8.977 1.00 0.00 H new ATOM 861 N GLN A 57 -5.206 3.295 -7.377 1.00 0.00 N ATOM 862 CA GLN A 57 -6.147 2.187 -7.416 1.00 0.00 C ATOM 863 C GLN A 57 -7.280 2.426 -6.420 1.00 0.00 C ATOM 864 O GLN A 57 -7.200 3.325 -5.577 1.00 0.00 O ATOM 865 CB GLN A 57 -5.405 0.882 -7.100 1.00 0.00 C ATOM 866 CG GLN A 57 -4.180 0.667 -8.004 1.00 0.00 C ATOM 867 CD GLN A 57 -3.950 -0.803 -8.326 1.00 0.00 C ATOM 868 OE1 GLN A 57 -4.518 -1.293 -9.301 1.00 0.00 O ATOM 869 NE2 GLN A 57 -3.132 -1.490 -7.547 1.00 0.00 N ATOM 0 H GLN A 57 -4.402 3.130 -6.771 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.585 2.111 -8.411 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.086 0.893 -6.058 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.090 0.042 -7.215 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.314 1.223 -8.932 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.294 1.072 -7.514 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.686 -1.036 -6.750 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.947 -2.474 -7.743 1.00 0.00 H new ATOM 878 N THR A 58 -8.351 1.642 -6.514 1.00 0.00 N ATOM 879 CA THR A 58 -9.490 1.747 -5.612 1.00 0.00 C ATOM 880 C THR A 58 -9.952 0.333 -5.300 1.00 0.00 C ATOM 881 O THR A 58 -10.072 -0.491 -6.208 1.00 0.00 O ATOM 882 CB THR A 58 -10.617 2.606 -6.204 1.00 0.00 C ATOM 883 OG1 THR A 58 -10.098 3.812 -6.740 1.00 0.00 O ATOM 884 CG2 THR A 58 -11.642 2.992 -5.129 1.00 0.00 C ATOM 0 H THR A 58 -8.452 0.914 -7.221 1.00 0.00 H new ATOM 0 HA THR A 58 -9.196 2.256 -4.694 1.00 0.00 H new ATOM 0 HB THR A 58 -11.092 2.009 -6.983 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.830 4.346 -7.114 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.428 3.600 -5.577 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.080 2.089 -4.703 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.147 3.561 -4.342 1.00 0.00 H new ATOM 892 N PHE A 59 -10.177 0.031 -4.023 1.00 0.00 N ATOM 893 CA PHE A 59 -10.622 -1.296 -3.601 1.00 0.00 C ATOM 894 C PHE A 59 -11.571 -1.159 -2.407 1.00 0.00 C ATOM 895 O PHE A 59 -11.724 -0.058 -1.872 1.00 0.00 O ATOM 896 CB PHE A 59 -9.403 -2.182 -3.271 1.00 0.00 C ATOM 897 CG PHE A 59 -8.401 -2.385 -4.396 1.00 0.00 C ATOM 898 CD1 PHE A 59 -8.677 -3.312 -5.415 1.00 0.00 C ATOM 899 CD2 PHE A 59 -7.167 -1.702 -4.401 1.00 0.00 C ATOM 900 CE1 PHE A 59 -7.725 -3.557 -6.418 1.00 0.00 C ATOM 901 CE2 PHE A 59 -6.197 -1.981 -5.385 1.00 0.00 C ATOM 902 CZ PHE A 59 -6.483 -2.901 -6.402 1.00 0.00 C ATOM 0 H PHE A 59 -10.057 0.693 -3.257 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.167 -1.782 -4.410 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.880 -1.744 -2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.765 -3.160 -2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -9.621 -3.836 -5.427 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.963 -0.959 -3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.950 -4.257 -7.209 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.237 -1.487 -5.355 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.752 -3.105 -7.170 1.00 0.00 H new ATOM 912 N PHE A 60 -12.201 -2.252 -1.959 1.00 0.00 N ATOM 913 CA PHE A 60 -13.129 -2.225 -0.827 1.00 0.00 C ATOM 914 C PHE A 60 -13.023 -3.508 -0.002 1.00 0.00 C ATOM 915 O PHE A 60 -12.717 -4.563 -0.564 1.00 0.00 O ATOM 916 CB PHE A 60 -14.577 -2.111 -1.333 1.00 0.00 C ATOM 917 CG PHE A 60 -14.889 -0.942 -2.248 1.00 0.00 C ATOM 918 CD1 PHE A 60 -14.580 -1.010 -3.620 1.00 0.00 C ATOM 919 CD2 PHE A 60 -15.524 0.203 -1.736 1.00 0.00 C ATOM 920 CE1 PHE A 60 -14.850 0.085 -4.458 1.00 0.00 C ATOM 921 CE2 PHE A 60 -15.816 1.286 -2.578 1.00 0.00 C ATOM 922 CZ PHE A 60 -15.461 1.240 -3.938 1.00 0.00 C ATOM 0 H PHE A 60 -12.081 -3.177 -2.372 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.868 -1.365 -0.210 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -14.827 -3.032 -1.860 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -15.236 -2.051 -0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.135 -1.905 -4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -15.788 0.249 -0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.588 0.040 -5.505 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.315 2.158 -2.181 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.656 2.087 -4.579 1.00 0.00 H new ATOM 932 N VAL A 61 -13.315 -3.450 1.304 1.00 0.00 N ATOM 933 CA VAL A 61 -13.280 -4.613 2.184 1.00 0.00 C ATOM 934 C VAL A 61 -14.493 -4.585 3.108 1.00 0.00 C ATOM 935 O VAL A 61 -15.137 -3.548 3.273 1.00 0.00 O ATOM 936 CB VAL A 61 -11.967 -4.730 2.973 1.00 0.00 C ATOM 937 CG1 VAL A 61 -10.785 -4.943 2.041 1.00 0.00 C ATOM 938 CG2 VAL A 61 -11.704 -3.522 3.870 1.00 0.00 C ATOM 0 H VAL A 61 -13.583 -2.587 1.777 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.323 -5.506 1.561 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.081 -5.601 3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.869 -5.022 2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.932 -5.861 1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.705 -4.099 1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.763 -3.662 4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.645 -2.621 3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.516 -3.420 4.590 1.00 0.00 H new ATOM 948 N ASP A 62 -14.830 -5.735 3.675 1.00 0.00 N ATOM 949 CA ASP A 62 -15.943 -5.910 4.597 1.00 0.00 C ATOM 950 C ASP A 62 -15.471 -5.742 6.042 1.00 0.00 C ATOM 951 O ASP A 62 -14.338 -5.322 6.301 1.00 0.00 O ATOM 952 CB ASP A 62 -16.619 -7.269 4.344 1.00 0.00 C ATOM 953 CG ASP A 62 -15.925 -8.423 5.057 1.00 0.00 C ATOM 954 OD1 ASP A 62 -14.684 -8.381 5.131 1.00 0.00 O ATOM 955 OD2 ASP A 62 -16.615 -9.291 5.632 1.00 0.00 O ATOM 0 H ASP A 62 -14.319 -6.600 3.500 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.692 -5.138 4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -17.657 -7.218 4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.633 -7.467 3.272 1.00 0.00 H new ATOM 960 N GLY A 63 -16.361 -6.029 6.992 1.00 0.00 N ATOM 961 CA GLY A 63 -16.072 -5.937 8.410 1.00 0.00 C ATOM 962 C GLY A 63 -15.031 -6.955 8.866 1.00 0.00 C ATOM 963 O GLY A 63 -14.448 -6.750 9.931 1.00 0.00 O ATOM 0 H GLY A 63 -17.313 -6.335 6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -15.717 -4.932 8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.992 -6.087 8.975 1.00 0.00 H new ATOM 967 N ASP A 64 -14.811 -8.041 8.114 1.00 0.00 N ATOM 968 CA ASP A 64 -13.824 -9.060 8.479 1.00 0.00 C ATOM 969 C ASP A 64 -12.472 -8.736 7.842 1.00 0.00 C ATOM 970 O ASP A 64 -11.419 -9.017 8.415 1.00 0.00 O ATOM 971 CB ASP A 64 -14.302 -10.434 7.984 1.00 0.00 C ATOM 972 CG ASP A 64 -13.318 -11.552 8.338 1.00 0.00 C ATOM 973 OD1 ASP A 64 -12.838 -11.587 9.496 1.00 0.00 O ATOM 974 OD2 ASP A 64 -13.098 -12.440 7.477 1.00 0.00 O ATOM 0 H ASP A 64 -15.308 -8.235 7.244 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.713 -9.075 9.563 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -15.275 -10.657 8.421 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.438 -10.401 6.903 1.00 0.00 H new ATOM 979 N GLY A 65 -12.482 -7.936 6.777 1.00 0.00 N ATOM 980 CA GLY A 65 -11.308 -7.526 6.038 1.00 0.00 C ATOM 981 C GLY A 65 -11.120 -8.366 4.780 1.00 0.00 C ATOM 982 O GLY A 65 -9.978 -8.693 4.457 1.00 0.00 O ATOM 0 H GLY A 65 -13.345 -7.546 6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.397 -6.475 5.765 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.427 -7.617 6.673 1.00 0.00 H new ATOM 986 N LYS A 66 -12.190 -8.740 4.073 1.00 0.00 N ATOM 987 CA LYS A 66 -12.169 -9.523 2.841 1.00 0.00 C ATOM 988 C LYS A 66 -12.454 -8.593 1.674 1.00 0.00 C ATOM 989 O LYS A 66 -13.404 -7.807 1.738 1.00 0.00 O ATOM 990 CB LYS A 66 -13.246 -10.621 2.861 1.00 0.00 C ATOM 991 CG LYS A 66 -12.913 -11.742 3.849 1.00 0.00 C ATOM 992 CD LYS A 66 -13.505 -13.096 3.421 1.00 0.00 C ATOM 993 CE LYS A 66 -12.768 -13.746 2.238 1.00 0.00 C ATOM 994 NZ LYS A 66 -11.368 -14.097 2.567 1.00 0.00 N ATOM 0 H LYS A 66 -13.137 -8.492 4.360 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.191 -9.994 2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.207 -10.180 3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.353 -11.041 1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.831 -11.834 3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.293 -11.478 4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.482 -13.778 4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.552 -12.956 3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.302 -14.645 1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.778 -13.063 1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.979 -14.708 1.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.799 -13.229 2.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.341 -14.601 3.476 1.00 0.00 H new ATOM 1008 N ARG A 67 -11.647 -8.689 0.619 1.00 0.00 N ATOM 1009 CA ARG A 67 -11.733 -7.924 -0.605 1.00 0.00 C ATOM 1010 C ARG A 67 -13.064 -8.233 -1.263 1.00 0.00 C ATOM 1011 O ARG A 67 -13.340 -9.397 -1.547 1.00 0.00 O ATOM 1012 CB ARG A 67 -10.548 -8.328 -1.503 1.00 0.00 C ATOM 1013 CG ARG A 67 -9.366 -7.366 -1.341 1.00 0.00 C ATOM 1014 CD ARG A 67 -9.522 -6.054 -2.121 1.00 0.00 C ATOM 1015 NE ARG A 67 -9.848 -6.243 -3.544 1.00 0.00 N ATOM 1016 CZ ARG A 67 -9.080 -6.797 -4.497 1.00 0.00 C ATOM 1017 NH1 ARG A 67 -7.980 -7.455 -4.162 1.00 0.00 N ATOM 1018 NH2 ARG A 67 -9.393 -6.700 -5.781 1.00 0.00 N ATOM 0 H ARG A 67 -10.869 -9.348 0.604 1.00 0.00 H new ATOM 0 HA ARG A 67 -11.680 -6.851 -0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.231 -9.341 -1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.868 -8.341 -2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.240 -7.136 -0.283 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.455 -7.866 -1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.305 -5.456 -1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.596 -5.484 -2.043 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.766 -5.914 -3.842 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.716 -7.541 -3.180 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.397 -7.876 -4.886 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.233 -6.196 -6.064 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.794 -7.129 -6.486 1.00 0.00 H new ATOM 1032 N TRP A 68 -13.880 -7.201 -1.461 1.00 0.00 N ATOM 1033 CA TRP A 68 -15.177 -7.359 -2.097 1.00 0.00 C ATOM 1034 C TRP A 68 -14.946 -7.821 -3.526 1.00 0.00 C ATOM 1035 O TRP A 68 -14.056 -7.293 -4.209 1.00 0.00 O ATOM 1036 CB TRP A 68 -15.941 -6.035 -2.089 1.00 0.00 C ATOM 1037 CG TRP A 68 -16.745 -5.787 -0.854 1.00 0.00 C ATOM 1038 CD1 TRP A 68 -16.269 -5.546 0.387 1.00 0.00 C ATOM 1039 CD2 TRP A 68 -18.191 -5.859 -0.717 1.00 0.00 C ATOM 1040 NE1 TRP A 68 -17.321 -5.425 1.273 1.00 0.00 N ATOM 1041 CE2 TRP A 68 -18.531 -5.647 0.650 1.00 0.00 C ATOM 1042 CE3 TRP A 68 -19.248 -6.118 -1.613 1.00 0.00 C ATOM 1043 CZ2 TRP A 68 -19.857 -5.710 1.102 1.00 0.00 C ATOM 1044 CZ3 TRP A 68 -20.581 -6.170 -1.171 1.00 0.00 C ATOM 1045 CH2 TRP A 68 -20.886 -5.965 0.183 1.00 0.00 C ATOM 0 H TRP A 68 -13.661 -6.243 -1.187 1.00 0.00 H new ATOM 0 HA TRP A 68 -15.772 -8.092 -1.553 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -15.229 -5.219 -2.213 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -16.607 -6.010 -2.951 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -15.224 -5.461 0.647 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -17.216 -5.200 2.262 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -19.029 -6.279 -2.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -20.084 -5.564 2.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -21.374 -6.369 -1.877 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -21.912 -6.003 0.518 1.00 0.00 H new ATOM 1056 N SER A 69 -15.708 -8.816 -3.964 1.00 0.00 N ATOM 1057 CA SER A 69 -15.599 -9.340 -5.314 1.00 0.00 C ATOM 1058 C SER A 69 -16.406 -8.448 -6.246 1.00 0.00 C ATOM 1059 O SER A 69 -17.401 -7.854 -5.829 1.00 0.00 O ATOM 1060 CB SER A 69 -16.121 -10.772 -5.325 1.00 0.00 C ATOM 1061 OG SER A 69 -15.237 -11.551 -4.541 1.00 0.00 O ATOM 0 H SER A 69 -16.415 -9.279 -3.393 1.00 0.00 H new ATOM 0 HA SER A 69 -14.563 -9.348 -5.653 1.00 0.00 H new ATOM 0 HB2 SER A 69 -17.132 -10.815 -4.920 1.00 0.00 H new ATOM 0 HB3 SER A 69 -16.169 -11.155 -6.344 1.00 0.00 H new ATOM 0 HG SER A 69 -15.546 -12.481 -4.526 1.00 0.00 H new ATOM 1067 N GLU A 70 -16.015 -8.378 -7.518 1.00 0.00 N ATOM 1068 CA GLU A 70 -16.717 -7.557 -8.500 1.00 0.00 C ATOM 1069 C GLU A 70 -18.164 -8.031 -8.674 1.00 0.00 C ATOM 1070 O GLU A 70 -19.021 -7.238 -9.057 1.00 0.00 O ATOM 1071 CB GLU A 70 -15.953 -7.491 -9.824 1.00 0.00 C ATOM 1072 CG GLU A 70 -14.558 -6.862 -9.620 1.00 0.00 C ATOM 1073 CD GLU A 70 -13.927 -6.357 -10.919 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -14.660 -5.817 -11.783 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -12.684 -6.410 -11.079 1.00 0.00 O ATOM 0 H GLU A 70 -15.212 -8.883 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 70 -16.761 -6.535 -8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.848 -8.493 -10.239 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.519 -6.904 -10.547 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.640 -6.033 -8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.897 -7.600 -9.166 1.00 0.00 H new ATOM 1082 N GLU A 71 -18.434 -9.307 -8.379 1.00 0.00 N ATOM 1083 CA GLU A 71 -19.761 -9.899 -8.453 1.00 0.00 C ATOM 1084 C GLU A 71 -20.649 -9.210 -7.419 1.00 0.00 C ATOM 1085 O GLU A 71 -21.711 -8.697 -7.747 1.00 0.00 O ATOM 1086 CB GLU A 71 -19.697 -11.402 -8.165 1.00 0.00 C ATOM 1087 CG GLU A 71 -18.873 -12.167 -9.204 1.00 0.00 C ATOM 1088 CD GLU A 71 -19.247 -13.646 -9.187 1.00 0.00 C ATOM 1089 OE1 GLU A 71 -19.063 -14.325 -8.149 1.00 0.00 O ATOM 1090 OE2 GLU A 71 -19.815 -14.128 -10.189 1.00 0.00 O ATOM 0 H GLU A 71 -17.716 -9.966 -8.076 1.00 0.00 H new ATOM 0 HA GLU A 71 -20.168 -9.764 -9.455 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -19.266 -11.561 -7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -20.709 -11.807 -8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -19.049 -11.751 -10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -17.810 -12.051 -8.993 1.00 0.00 H new ATOM 1097 N GLU A 72 -20.194 -9.141 -6.167 1.00 0.00 N ATOM 1098 CA GLU A 72 -20.952 -8.502 -5.101 1.00 0.00 C ATOM 1099 C GLU A 72 -21.127 -7.007 -5.386 1.00 0.00 C ATOM 1100 O GLU A 72 -22.061 -6.386 -4.882 1.00 0.00 O ATOM 1101 CB GLU A 72 -20.272 -8.754 -3.752 1.00 0.00 C ATOM 1102 CG GLU A 72 -20.249 -10.225 -3.331 1.00 0.00 C ATOM 1103 CD GLU A 72 -21.604 -10.939 -3.241 1.00 0.00 C ATOM 1104 OE1 GLU A 72 -22.680 -10.300 -3.235 1.00 0.00 O ATOM 1105 OE2 GLU A 72 -21.570 -12.191 -3.161 1.00 0.00 O ATOM 0 H GLU A 72 -19.297 -9.524 -5.869 1.00 0.00 H new ATOM 0 HA GLU A 72 -21.950 -8.939 -5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.248 -8.384 -3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.785 -8.175 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.623 -10.771 -4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.764 -10.292 -2.357 1.00 0.00 H new ATOM 1112 N LEU A 73 -20.217 -6.400 -6.154 1.00 0.00 N ATOM 1113 CA LEU A 73 -20.322 -4.993 -6.516 1.00 0.00 C ATOM 1114 C LEU A 73 -21.331 -4.804 -7.659 1.00 0.00 C ATOM 1115 O LEU A 73 -21.987 -3.762 -7.694 1.00 0.00 O ATOM 1116 CB LEU A 73 -18.948 -4.379 -6.834 1.00 0.00 C ATOM 1117 CG LEU A 73 -17.957 -4.425 -5.650 1.00 0.00 C ATOM 1118 CD1 LEU A 73 -16.635 -3.757 -6.045 1.00 0.00 C ATOM 1119 CD2 LEU A 73 -18.487 -3.761 -4.370 1.00 0.00 C ATOM 0 H LEU A 73 -19.396 -6.869 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.702 -4.447 -5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.512 -4.907 -7.682 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -19.086 -3.342 -7.141 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.811 -5.482 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -15.943 -3.794 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -16.201 -4.283 -6.895 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -16.820 -2.718 -6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -17.735 -3.834 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -18.705 -2.711 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.398 -4.266 -4.048 1.00 0.00 H new ATOM 1131 N LYS A 74 -21.469 -5.754 -8.597 1.00 0.00 N ATOM 1132 CA LYS A 74 -22.414 -5.660 -9.724 1.00 0.00 C ATOM 1133 C LYS A 74 -23.816 -6.148 -9.342 1.00 0.00 C ATOM 1134 O LYS A 74 -24.753 -5.957 -10.114 1.00 0.00 O ATOM 1135 CB LYS A 74 -21.863 -6.388 -10.970 1.00 0.00 C ATOM 1136 CG LYS A 74 -22.162 -7.899 -11.027 1.00 0.00 C ATOM 1137 CD LYS A 74 -21.157 -8.699 -11.867 1.00 0.00 C ATOM 1138 CE LYS A 74 -21.292 -8.473 -13.374 1.00 0.00 C ATOM 1139 NZ LYS A 74 -22.494 -9.118 -13.935 1.00 0.00 N ATOM 0 H LYS A 74 -20.924 -6.616 -8.596 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.517 -4.606 -9.980 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.278 -5.917 -11.861 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -20.783 -6.245 -11.008 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.171 -8.297 -10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -23.162 -8.047 -11.436 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.146 -8.432 -11.558 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -21.285 -9.761 -11.656 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -21.330 -7.403 -13.576 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.407 -8.861 -13.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -22.540 -8.936 -14.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -22.448 -10.143 -13.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -23.343 -8.730 -13.476 1.00 0.00 H new ATOM 1321 N ARG A 86 -23.556 -6.543 4.086 1.00 0.00 N ATOM 1322 CA ARG A 86 -22.296 -6.379 4.793 1.00 0.00 C ATOM 1323 C ARG A 86 -21.726 -5.008 4.495 1.00 0.00 C ATOM 1324 O ARG A 86 -21.960 -4.439 3.423 1.00 0.00 O ATOM 1325 CB ARG A 86 -21.317 -7.514 4.447 1.00 0.00 C ATOM 1326 CG ARG A 86 -20.181 -7.641 5.472 1.00 0.00 C ATOM 1327 CD ARG A 86 -20.626 -7.980 6.900 1.00 0.00 C ATOM 1328 NE ARG A 86 -20.517 -9.409 7.182 1.00 0.00 N ATOM 1329 CZ ARG A 86 -21.457 -10.341 6.998 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -22.658 -10.037 6.507 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -21.192 -11.601 7.299 1.00 0.00 N ATOM 0 HA ARG A 86 -22.469 -6.444 5.867 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.862 -8.457 4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -20.893 -7.335 3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.490 -8.412 5.131 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -19.626 -6.703 5.494 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.017 -7.422 7.612 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.658 -7.660 7.044 1.00 0.00 H new ATOM 0 HE ARG A 86 -19.626 -9.731 7.561 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -22.879 -9.072 6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -23.356 -10.769 6.377 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -20.276 -11.855 7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -21.904 -12.319 7.162 1.00 0.00 H new ATOM 1345 N GLU A 87 -20.970 -4.487 5.458 1.00 0.00 N ATOM 1346 CA GLU A 87 -20.321 -3.198 5.337 1.00 0.00 C ATOM 1347 C GLU A 87 -19.311 -3.240 4.197 1.00 0.00 C ATOM 1348 O GLU A 87 -18.765 -4.295 3.863 1.00 0.00 O ATOM 1349 CB GLU A 87 -19.658 -2.774 6.648 1.00 0.00 C ATOM 1350 CG GLU A 87 -18.524 -3.687 7.090 1.00 0.00 C ATOM 1351 CD GLU A 87 -18.107 -3.359 8.521 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -17.316 -2.404 8.702 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -18.576 -4.065 9.447 1.00 0.00 O ATOM 0 H GLU A 87 -20.794 -4.955 6.347 1.00 0.00 H new ATOM 0 HA GLU A 87 -21.080 -2.449 5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -19.273 -1.760 6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -20.414 -2.744 7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.840 -4.728 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -17.672 -3.571 6.420 1.00 0.00 H new ATOM 1360 N LYS A 88 -19.006 -2.072 3.640 1.00 0.00 N ATOM 1361 CA LYS A 88 -18.077 -1.935 2.538 1.00 0.00 C ATOM 1362 C LYS A 88 -17.228 -0.696 2.773 1.00 0.00 C ATOM 1363 O LYS A 88 -17.669 0.425 2.532 1.00 0.00 O ATOM 1364 CB LYS A 88 -18.919 -1.913 1.263 1.00 0.00 C ATOM 1365 CG LYS A 88 -18.061 -1.919 0.007 1.00 0.00 C ATOM 1366 CD LYS A 88 -18.869 -2.314 -1.228 1.00 0.00 C ATOM 1367 CE LYS A 88 -20.092 -1.432 -1.490 1.00 0.00 C ATOM 1368 NZ LYS A 88 -21.348 -2.007 -0.958 1.00 0.00 N ATOM 0 H LYS A 88 -19.406 -1.186 3.950 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.367 -2.757 2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.582 -2.778 1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.553 -1.026 1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.628 -0.930 -0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -17.231 -2.614 0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.217 -2.279 -2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -19.198 -3.347 -1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -19.929 -0.452 -1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -20.197 -1.276 -2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -21.995 -2.216 -1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -21.137 -2.885 -0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -21.796 -1.325 -0.313 1.00 0.00 H new ATOM 1382 N LYS A 89 -16.028 -0.897 3.307 1.00 0.00 N ATOM 1383 CA LYS A 89 -15.043 0.120 3.632 1.00 0.00 C ATOM 1384 C LYS A 89 -14.232 0.415 2.365 1.00 0.00 C ATOM 1385 O LYS A 89 -13.502 -0.474 1.917 1.00 0.00 O ATOM 1386 CB LYS A 89 -14.100 -0.398 4.730 1.00 0.00 C ATOM 1387 CG LYS A 89 -14.786 -0.914 6.009 1.00 0.00 C ATOM 1388 CD LYS A 89 -13.730 -1.615 6.871 1.00 0.00 C ATOM 1389 CE LYS A 89 -14.316 -2.587 7.889 1.00 0.00 C ATOM 1390 NZ LYS A 89 -14.658 -1.947 9.176 1.00 0.00 N ATOM 0 H LYS A 89 -15.700 -1.835 3.538 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.539 1.022 3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.495 -1.203 4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.416 0.405 5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.237 -0.087 6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.590 -1.605 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.043 -2.155 6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.144 -0.861 7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.211 -3.046 7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.601 -3.390 8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.166 -2.438 9.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.364 -0.950 9.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.685 -2.002 9.329 1.00 0.00 H new ATOM 1404 N PRO A 90 -14.361 1.594 1.744 1.00 0.00 N ATOM 1405 CA PRO A 90 -13.615 1.961 0.550 1.00 0.00 C ATOM 1406 C PRO A 90 -12.147 2.248 0.870 1.00 0.00 C ATOM 1407 O PRO A 90 -11.795 2.719 1.954 1.00 0.00 O ATOM 1408 CB PRO A 90 -14.301 3.222 0.033 1.00 0.00 C ATOM 1409 CG PRO A 90 -14.843 3.877 1.297 1.00 0.00 C ATOM 1410 CD PRO A 90 -15.205 2.686 2.176 1.00 0.00 C ATOM 0 HA PRO A 90 -13.612 1.154 -0.182 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.601 3.875 -0.488 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -15.100 2.985 -0.670 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.098 4.516 1.771 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -15.711 4.501 1.087 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -15.038 2.914 3.229 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -16.259 2.429 2.069 1.00 0.00 H new ATOM 1418 N LEU A 91 -11.288 2.069 -0.133 1.00 0.00 N ATOM 1419 CA LEU A 91 -9.851 2.272 -0.052 1.00 0.00 C ATOM 1420 C LEU A 91 -9.437 2.986 -1.344 1.00 0.00 C ATOM 1421 O LEU A 91 -9.222 2.342 -2.369 1.00 0.00 O ATOM 1422 CB LEU A 91 -9.150 0.903 0.113 1.00 0.00 C ATOM 1423 CG LEU A 91 -9.667 0.020 1.272 1.00 0.00 C ATOM 1424 CD1 LEU A 91 -9.104 -1.389 1.120 1.00 0.00 C ATOM 1425 CD2 LEU A 91 -9.296 0.552 2.659 1.00 0.00 C ATOM 0 H LEU A 91 -11.591 1.767 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.563 2.878 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.256 0.347 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.084 1.077 0.261 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.755 0.026 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.466 -2.015 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.428 -1.810 0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.015 -1.351 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.691 -0.117 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.211 0.606 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.721 1.547 2.793 1.00 0.00 H new ATOM 1437 N ARG A 92 -9.328 4.319 -1.310 1.00 0.00 N ATOM 1438 CA ARG A 92 -8.963 5.179 -2.438 1.00 0.00 C ATOM 1439 C ARG A 92 -7.473 5.478 -2.415 1.00 0.00 C ATOM 1440 O ARG A 92 -7.056 6.300 -1.607 1.00 0.00 O ATOM 1441 CB ARG A 92 -9.725 6.502 -2.299 1.00 0.00 C ATOM 1442 CG ARG A 92 -11.223 6.298 -2.121 1.00 0.00 C ATOM 1443 CD ARG A 92 -11.927 7.658 -2.031 1.00 0.00 C ATOM 1444 NE ARG A 92 -11.408 8.581 -0.991 1.00 0.00 N ATOM 1445 CZ ARG A 92 -11.840 8.716 0.276 1.00 0.00 C ATOM 1446 NH1 ARG A 92 -12.792 7.933 0.772 1.00 0.00 N ATOM 1447 NH2 ARG A 92 -11.299 9.627 1.078 1.00 0.00 N ATOM 0 H ARG A 92 -9.500 4.850 -0.456 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.213 4.675 -3.372 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.333 7.055 -1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.548 7.114 -3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.623 5.726 -2.958 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.415 5.718 -1.218 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.851 8.151 -3.000 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.987 7.487 -1.843 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.633 9.183 -1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.213 7.210 0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.102 8.055 1.736 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.551 10.230 0.734 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.632 9.724 2.037 1.00 0.00 H new ATOM 1461 N TYR A 93 -6.656 4.847 -3.244 1.00 0.00 N ATOM 1462 CA TYR A 93 -5.219 5.118 -3.211 1.00 0.00 C ATOM 1463 C TYR A 93 -4.878 6.334 -4.068 1.00 0.00 C ATOM 1464 O TYR A 93 -5.503 6.606 -5.092 1.00 0.00 O ATOM 1465 CB TYR A 93 -4.410 3.882 -3.570 1.00 0.00 C ATOM 1466 CG TYR A 93 -4.535 2.762 -2.553 1.00 0.00 C ATOM 1467 CD1 TYR A 93 -5.654 1.904 -2.571 1.00 0.00 C ATOM 1468 CD2 TYR A 93 -3.540 2.592 -1.571 1.00 0.00 C ATOM 1469 CE1 TYR A 93 -5.779 0.889 -1.607 1.00 0.00 C ATOM 1470 CE2 TYR A 93 -3.658 1.569 -0.614 1.00 0.00 C ATOM 1471 CZ TYR A 93 -4.782 0.714 -0.621 1.00 0.00 C ATOM 1472 OH TYR A 93 -4.916 -0.265 0.314 1.00 0.00 O ATOM 0 H TYR A 93 -6.950 4.157 -3.936 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.936 5.369 -2.189 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.734 3.516 -4.544 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.360 4.159 -3.666 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.416 2.027 -3.327 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.684 3.250 -1.553 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.642 0.239 -1.620 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.886 1.436 0.130 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.321 0.109 1.124 1.00 0.00 H new ATOM 1482 N GLY A 94 -3.841 7.050 -3.654 1.00 0.00 N ATOM 1483 CA GLY A 94 -3.244 8.252 -4.115 1.00 0.00 C ATOM 1484 C GLY A 94 -1.901 8.143 -4.825 1.00 0.00 C ATOM 1485 O GLY A 94 -1.318 7.062 -4.985 1.00 0.00 O ATOM 0 H GLY A 94 -3.326 6.718 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.945 8.737 -4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.119 8.915 -3.259 1.00 0.00 H new ATOM 1489 N LYS A 95 -1.523 9.249 -5.470 1.00 0.00 N ATOM 1490 CA LYS A 95 -0.247 9.306 -6.166 1.00 0.00 C ATOM 1491 C LYS A 95 0.880 9.199 -5.107 1.00 0.00 C ATOM 1492 O LYS A 95 0.633 9.288 -3.900 1.00 0.00 O ATOM 1493 CB LYS A 95 -0.199 10.626 -6.954 1.00 0.00 C ATOM 1494 CG LYS A 95 1.037 10.779 -7.845 1.00 0.00 C ATOM 1495 CD LYS A 95 0.963 11.939 -8.842 1.00 0.00 C ATOM 1496 CE LYS A 95 -0.010 11.635 -9.987 1.00 0.00 C ATOM 1497 NZ LYS A 95 0.547 12.000 -11.305 1.00 0.00 N ATOM 0 H LYS A 95 -2.077 10.104 -5.522 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.117 8.488 -6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.092 10.699 -7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.231 11.458 -6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.912 10.918 -7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.188 9.851 -8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.646 12.845 -8.325 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.955 12.134 -9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.256 10.573 -9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.941 12.179 -9.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.145 11.777 -12.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.758 13.018 -11.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.421 11.462 -11.473 1.00 0.00 H new ATOM 1511 N VAL A 96 2.113 8.939 -5.543 1.00 0.00 N ATOM 1512 CA VAL A 96 3.273 8.777 -4.676 1.00 0.00 C ATOM 1513 C VAL A 96 4.297 9.870 -4.978 1.00 0.00 C ATOM 1514 O VAL A 96 4.499 10.281 -6.128 1.00 0.00 O ATOM 1515 CB VAL A 96 3.834 7.345 -4.825 1.00 0.00 C ATOM 1516 CG1 VAL A 96 4.984 7.072 -3.851 1.00 0.00 C ATOM 1517 CG2 VAL A 96 2.752 6.287 -4.550 1.00 0.00 C ATOM 0 H VAL A 96 2.335 8.833 -6.533 1.00 0.00 H new ATOM 0 HA VAL A 96 2.994 8.895 -3.629 1.00 0.00 H new ATOM 0 HB VAL A 96 4.190 7.277 -5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.346 6.054 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.795 7.775 -4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.630 7.193 -2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.180 5.291 -4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.376 6.407 -3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.932 6.412 -5.257 1.00 0.00 H new ATOM 1527 N TYR A 97 4.967 10.336 -3.928 1.00 0.00 N ATOM 1528 CA TYR A 97 5.970 11.375 -3.949 1.00 0.00 C ATOM 1529 C TYR A 97 7.185 10.885 -3.173 1.00 0.00 C ATOM 1530 O TYR A 97 7.153 9.815 -2.575 1.00 0.00 O ATOM 1531 CB TYR A 97 5.391 12.651 -3.308 1.00 0.00 C ATOM 1532 CG TYR A 97 3.932 12.944 -3.622 1.00 0.00 C ATOM 1533 CD1 TYR A 97 2.897 12.381 -2.849 1.00 0.00 C ATOM 1534 CD2 TYR A 97 3.609 13.783 -4.697 1.00 0.00 C ATOM 1535 CE1 TYR A 97 1.550 12.629 -3.168 1.00 0.00 C ATOM 1536 CE2 TYR A 97 2.262 14.053 -5.010 1.00 0.00 C ATOM 1537 CZ TYR A 97 1.218 13.453 -4.265 1.00 0.00 C ATOM 1538 OH TYR A 97 -0.087 13.666 -4.606 1.00 0.00 O ATOM 0 H TYR A 97 4.809 9.971 -2.989 1.00 0.00 H new ATOM 0 HA TYR A 97 6.266 11.607 -4.972 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.502 12.575 -2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.991 13.502 -3.631 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.140 11.754 -2.004 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.397 14.225 -5.289 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.766 12.187 -2.571 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.024 14.722 -5.824 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.662 13.057 -4.097 1.00 0.00 H new ATOM 1548 N SER A 98 8.257 11.659 -3.171 1.00 0.00 N ATOM 1549 CA SER A 98 9.488 11.360 -2.468 1.00 0.00 C ATOM 1550 C SER A 98 9.639 12.369 -1.348 1.00 0.00 C ATOM 1551 O SER A 98 9.059 13.462 -1.392 1.00 0.00 O ATOM 1552 CB SER A 98 10.663 11.494 -3.435 1.00 0.00 C ATOM 1553 OG SER A 98 11.864 10.967 -2.924 1.00 0.00 O ATOM 0 H SER A 98 8.293 12.544 -3.678 1.00 0.00 H new ATOM 0 HA SER A 98 9.468 10.346 -2.068 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.418 10.985 -4.367 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.809 12.547 -3.676 1.00 0.00 H new ATOM 0 HG SER A 98 12.578 11.079 -3.586 1.00 0.00 H new ATOM 1559 N THR A 99 10.366 11.952 -0.321 1.00 0.00 N ATOM 1560 CA THR A 99 10.650 12.828 0.797 1.00 0.00 C ATOM 1561 C THR A 99 11.880 13.648 0.373 1.00 0.00 C ATOM 1562 O THR A 99 12.536 13.320 -0.627 1.00 0.00 O ATOM 1563 CB THR A 99 10.866 12.030 2.089 1.00 0.00 C ATOM 1564 OG1 THR A 99 11.883 11.052 2.000 1.00 0.00 O ATOM 1565 CG2 THR A 99 9.608 11.321 2.585 1.00 0.00 C ATOM 0 H THR A 99 10.766 11.017 -0.242 1.00 0.00 H new ATOM 0 HA THR A 99 9.816 13.491 1.027 1.00 0.00 H new ATOM 0 HB THR A 99 11.165 12.804 2.796 1.00 0.00 H new ATOM 0 HG1 THR A 99 11.554 10.284 1.488 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.835 10.777 3.502 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.829 12.058 2.783 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.261 10.622 1.824 1.00 0.00 H new ATOM 1669 N ASP A 107 14.945 5.785 0.038 1.00 0.00 N ATOM 1670 CA ASP A 107 14.403 4.789 0.964 1.00 0.00 C ATOM 1671 C ASP A 107 13.128 5.254 1.653 1.00 0.00 C ATOM 1672 O ASP A 107 12.308 4.407 1.995 1.00 0.00 O ATOM 1673 CB ASP A 107 15.470 4.199 1.893 1.00 0.00 C ATOM 1674 CG ASP A 107 15.591 4.857 3.264 1.00 0.00 C ATOM 1675 OD1 ASP A 107 14.704 4.660 4.125 1.00 0.00 O ATOM 1676 OD2 ASP A 107 16.673 5.428 3.541 1.00 0.00 O ATOM 0 HA ASP A 107 14.080 3.940 0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.255 3.140 2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.436 4.263 1.393 1.00 0.00 H new ATOM 1681 N GLU A 108 12.867 6.556 1.790 1.00 0.00 N ATOM 1682 CA GLU A 108 11.618 7.014 2.407 1.00 0.00 C ATOM 1683 C GLU A 108 10.873 7.777 1.308 1.00 0.00 C ATOM 1684 O GLU A 108 11.439 8.626 0.613 1.00 0.00 O ATOM 1685 CB GLU A 108 11.934 7.883 3.622 1.00 0.00 C ATOM 1686 CG GLU A 108 11.966 7.188 4.997 1.00 0.00 C ATOM 1687 CD GLU A 108 12.425 8.179 6.085 1.00 0.00 C ATOM 1688 OE1 GLU A 108 12.309 9.419 5.915 1.00 0.00 O ATOM 1689 OE2 GLU A 108 12.831 7.733 7.179 1.00 0.00 O ATOM 0 H GLU A 108 13.493 7.303 1.487 1.00 0.00 H new ATOM 0 HA GLU A 108 10.999 6.197 2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.904 8.352 3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.196 8.684 3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.976 6.802 5.241 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.642 6.333 4.965 1.00 0.00 H new ATOM 1696 N ILE A 109 9.558 7.620 1.227 1.00 0.00 N ATOM 1697 CA ILE A 109 8.702 8.231 0.206 1.00 0.00 C ATOM 1698 C ILE A 109 7.393 8.691 0.835 1.00 0.00 C ATOM 1699 O ILE A 109 7.218 8.569 2.040 1.00 0.00 O ATOM 1700 CB ILE A 109 8.475 7.197 -0.927 1.00 0.00 C ATOM 1701 CG1 ILE A 109 7.851 5.885 -0.407 1.00 0.00 C ATOM 1702 CG2 ILE A 109 9.767 6.890 -1.695 1.00 0.00 C ATOM 1703 CD1 ILE A 109 6.347 5.875 -0.590 1.00 0.00 C ATOM 0 H ILE A 109 9.036 7.046 1.890 1.00 0.00 H new ATOM 0 HA ILE A 109 9.178 9.113 -0.222 1.00 0.00 H new ATOM 0 HB ILE A 109 7.767 7.662 -1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.289 5.038 -0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.091 5.760 0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.560 6.161 -2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.150 7.807 -2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.510 6.484 -1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 109 5.941 4.936 -0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.908 6.707 -0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.109 5.974 -1.649 1.00 0.00 H new ATOM 1715 N ILE A 110 6.449 9.216 0.056 1.00 0.00 N ATOM 1716 CA ILE A 110 5.166 9.683 0.549 1.00 0.00 C ATOM 1717 C ILE A 110 4.062 9.089 -0.308 1.00 0.00 C ATOM 1718 O ILE A 110 3.974 9.375 -1.499 1.00 0.00 O ATOM 1719 CB ILE A 110 5.124 11.214 0.562 1.00 0.00 C ATOM 1720 CG1 ILE A 110 6.444 11.742 1.147 1.00 0.00 C ATOM 1721 CG2 ILE A 110 3.884 11.684 1.337 1.00 0.00 C ATOM 1722 CD1 ILE A 110 6.500 13.239 1.287 1.00 0.00 C ATOM 0 H ILE A 110 6.562 9.328 -0.952 1.00 0.00 H new ATOM 0 HA ILE A 110 5.017 9.354 1.577 1.00 0.00 H new ATOM 0 HB ILE A 110 5.033 11.617 -0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.601 11.290 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.267 11.417 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.853 12.774 1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.986 11.300 0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 110 3.932 11.313 2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.463 13.529 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.377 13.701 0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 110 5.701 13.573 1.949 1.00 0.00 H new ATOM 1734 N VAL A 111 3.255 8.224 0.282 1.00 0.00 N ATOM 1735 CA VAL A 111 2.127 7.560 -0.344 1.00 0.00 C ATOM 1736 C VAL A 111 0.865 8.304 0.041 1.00 0.00 C ATOM 1737 O VAL A 111 0.678 8.645 1.203 1.00 0.00 O ATOM 1738 CB VAL A 111 2.085 6.117 0.192 1.00 0.00 C ATOM 1739 CG1 VAL A 111 0.707 5.438 0.206 1.00 0.00 C ATOM 1740 CG2 VAL A 111 3.087 5.298 -0.621 1.00 0.00 C ATOM 0 H VAL A 111 3.375 7.953 1.258 1.00 0.00 H new ATOM 0 HA VAL A 111 2.214 7.548 -1.430 1.00 0.00 H new ATOM 0 HB VAL A 111 2.345 6.167 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.803 4.428 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.025 6.011 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.313 5.393 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.085 4.267 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.807 5.322 -1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.085 5.721 -0.501 1.00 0.00 H new ATOM 1750 N GLU A 112 0.006 8.591 -0.925 1.00 0.00 N ATOM 1751 CA GLU A 112 -1.253 9.243 -0.630 1.00 0.00 C ATOM 1752 C GLU A 112 -2.304 8.142 -0.534 1.00 0.00 C ATOM 1753 O GLU A 112 -2.267 7.179 -1.309 1.00 0.00 O ATOM 1754 CB GLU A 112 -1.584 10.186 -1.759 1.00 0.00 C ATOM 1755 CG GLU A 112 -2.922 10.935 -1.658 1.00 0.00 C ATOM 1756 CD GLU A 112 -3.295 11.606 -2.985 1.00 0.00 C ATOM 1757 OE1 GLU A 112 -2.449 12.284 -3.617 1.00 0.00 O ATOM 1758 OE2 GLU A 112 -4.441 11.389 -3.455 1.00 0.00 O ATOM 0 H GLU A 112 0.159 8.383 -1.912 1.00 0.00 H new ATOM 0 HA GLU A 112 -1.212 9.813 0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.785 10.924 -1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.580 9.618 -2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.709 10.238 -1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -2.859 11.689 -0.873 1.00 0.00 H new ATOM 1765 N PHE A 113 -3.244 8.278 0.390 1.00 0.00 N ATOM 1766 CA PHE A 113 -4.315 7.329 0.590 1.00 0.00 C ATOM 1767 C PHE A 113 -5.497 8.115 1.162 1.00 0.00 C ATOM 1768 O PHE A 113 -5.333 8.917 2.072 1.00 0.00 O ATOM 1769 CB PHE A 113 -3.816 6.212 1.531 1.00 0.00 C ATOM 1770 CG PHE A 113 -4.579 4.895 1.584 1.00 0.00 C ATOM 1771 CD1 PHE A 113 -5.804 4.722 0.925 1.00 0.00 C ATOM 1772 CD2 PHE A 113 -4.060 3.819 2.327 1.00 0.00 C ATOM 1773 CE1 PHE A 113 -6.534 3.540 1.043 1.00 0.00 C ATOM 1774 CE2 PHE A 113 -4.794 2.626 2.462 1.00 0.00 C ATOM 1775 CZ PHE A 113 -6.046 2.503 1.841 1.00 0.00 C ATOM 0 H PHE A 113 -3.279 9.070 1.032 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.634 6.842 -0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -2.786 5.985 1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.792 6.619 2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -6.191 5.522 0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -3.092 3.909 2.797 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -7.472 3.427 0.520 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.395 1.807 3.042 1.00 0.00 H new ATOM 0 HZ PHE A 113 -6.632 1.607 1.980 1.00 0.00 H new ATOM 1785 N ASN A 114 -6.694 7.898 0.618 1.00 0.00 N ATOM 1786 CA ASN A 114 -7.964 8.495 1.000 1.00 0.00 C ATOM 1787 C ASN A 114 -7.923 10.022 0.990 1.00 0.00 C ATOM 1788 O ASN A 114 -8.671 10.654 1.726 1.00 0.00 O ATOM 1789 CB ASN A 114 -8.450 7.927 2.352 1.00 0.00 C ATOM 1790 CG ASN A 114 -8.420 6.406 2.472 1.00 0.00 C ATOM 1791 OD1 ASN A 114 -7.594 5.852 3.183 1.00 0.00 O ATOM 1792 ND2 ASN A 114 -9.315 5.670 1.832 1.00 0.00 N ATOM 0 H ASN A 114 -6.804 7.249 -0.161 1.00 0.00 H new ATOM 0 HA ASN A 114 -8.697 8.218 0.242 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.835 8.349 3.146 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.471 8.268 2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.309 4.655 1.936 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -10.011 6.118 1.235 1.00 0.00 H new ATOM 1799 N ARG A 115 -7.165 10.626 0.070 1.00 0.00 N ATOM 1800 CA ARG A 115 -7.020 12.080 -0.066 1.00 0.00 C ATOM 1801 C ARG A 115 -6.257 12.697 1.107 1.00 0.00 C ATOM 1802 O ARG A 115 -6.592 13.782 1.585 1.00 0.00 O ATOM 1803 CB ARG A 115 -8.355 12.788 -0.386 1.00 0.00 C ATOM 1804 CG ARG A 115 -9.148 12.157 -1.546 1.00 0.00 C ATOM 1805 CD ARG A 115 -8.390 12.155 -2.881 1.00 0.00 C ATOM 1806 NE ARG A 115 -8.229 13.527 -3.399 1.00 0.00 N ATOM 1807 CZ ARG A 115 -7.137 14.290 -3.275 1.00 0.00 C ATOM 1808 NH1 ARG A 115 -5.947 13.755 -3.026 1.00 0.00 N ATOM 1809 NH2 ARG A 115 -7.236 15.610 -3.387 1.00 0.00 N ATOM 0 H ARG A 115 -6.621 10.105 -0.618 1.00 0.00 H new ATOM 0 HA ARG A 115 -6.396 12.253 -0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.978 12.784 0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -8.150 13.831 -0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.406 11.131 -1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -10.085 12.699 -1.671 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -7.411 11.696 -2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -8.929 11.549 -3.609 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.022 13.931 -3.897 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.853 12.744 -2.926 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.127 14.355 -2.935 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -8.143 16.040 -3.567 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.405 16.194 -3.293 1.00 0.00 H new ATOM 1823 N GLU A 116 -5.222 12.003 1.564 1.00 0.00 N ATOM 1824 CA GLU A 116 -4.322 12.403 2.634 1.00 0.00 C ATOM 1825 C GLU A 116 -2.953 11.871 2.225 1.00 0.00 C ATOM 1826 O GLU A 116 -2.874 10.853 1.536 1.00 0.00 O ATOM 1827 CB GLU A 116 -4.714 11.813 3.987 1.00 0.00 C ATOM 1828 CG GLU A 116 -6.055 12.299 4.517 1.00 0.00 C ATOM 1829 CD GLU A 116 -6.131 12.040 6.021 1.00 0.00 C ATOM 1830 OE1 GLU A 116 -6.407 10.883 6.421 1.00 0.00 O ATOM 1831 OE2 GLU A 116 -5.837 12.995 6.775 1.00 0.00 O ATOM 0 H GLU A 116 -4.976 11.093 1.174 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.346 13.485 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.742 10.727 3.902 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.939 12.056 4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.175 13.363 4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.869 11.784 4.007 1.00 0.00 H new ATOM 1838 N TYR A 117 -1.880 12.549 2.618 1.00 0.00 N ATOM 1839 CA TYR A 117 -0.517 12.151 2.283 1.00 0.00 C ATOM 1840 C TYR A 117 0.122 11.508 3.500 1.00 0.00 C ATOM 1841 O TYR A 117 0.023 12.053 4.596 1.00 0.00 O ATOM 1842 CB TYR A 117 0.293 13.368 1.826 1.00 0.00 C ATOM 1843 CG TYR A 117 -0.429 14.281 0.846 1.00 0.00 C ATOM 1844 CD1 TYR A 117 -0.735 13.828 -0.451 1.00 0.00 C ATOM 1845 CD2 TYR A 117 -0.837 15.571 1.242 1.00 0.00 C ATOM 1846 CE1 TYR A 117 -1.344 14.693 -1.379 1.00 0.00 C ATOM 1847 CE2 TYR A 117 -1.476 16.429 0.330 1.00 0.00 C ATOM 1848 CZ TYR A 117 -1.685 16.013 -1.005 1.00 0.00 C ATOM 1849 OH TYR A 117 -2.260 16.847 -1.915 1.00 0.00 O ATOM 0 H TYR A 117 -1.932 13.397 3.182 1.00 0.00 H new ATOM 0 HA TYR A 117 -0.534 11.432 1.464 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.575 13.950 2.703 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.217 13.020 1.364 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -0.501 12.813 -0.735 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -0.657 15.903 2.254 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -1.552 14.347 -2.381 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -1.807 17.406 0.649 1.00 0.00 H new ATOM 0 HH TYR A 117 -2.433 17.717 -1.498 1.00 0.00 H new ATOM 1859 N TYR A 118 0.852 10.412 3.315 1.00 0.00 N ATOM 1860 CA TYR A 118 1.499 9.705 4.420 1.00 0.00 C ATOM 1861 C TYR A 118 2.939 9.340 4.099 1.00 0.00 C ATOM 1862 O TYR A 118 3.228 8.751 3.055 1.00 0.00 O ATOM 1863 CB TYR A 118 0.720 8.437 4.747 1.00 0.00 C ATOM 1864 CG TYR A 118 -0.694 8.662 5.226 1.00 0.00 C ATOM 1865 CD1 TYR A 118 -1.738 8.748 4.288 1.00 0.00 C ATOM 1866 CD2 TYR A 118 -0.970 8.738 6.603 1.00 0.00 C ATOM 1867 CE1 TYR A 118 -3.067 8.849 4.723 1.00 0.00 C ATOM 1868 CE2 TYR A 118 -2.297 8.862 7.045 1.00 0.00 C ATOM 1869 CZ TYR A 118 -3.356 8.902 6.109 1.00 0.00 C ATOM 1870 OH TYR A 118 -4.636 8.897 6.571 1.00 0.00 O ATOM 0 H TYR A 118 1.012 9.989 2.401 1.00 0.00 H new ATOM 0 HA TYR A 118 1.506 10.377 5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 118 0.690 7.807 3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 118 1.263 7.882 5.512 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -1.516 8.736 3.231 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.163 8.701 7.319 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.870 8.886 4.002 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -2.509 8.927 8.102 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.030 9.786 6.452 1.00 0.00 H new ATOM 1880 N ARG A 119 3.870 9.752 4.957 1.00 0.00 N ATOM 1881 CA ARG A 119 5.276 9.450 4.783 1.00 0.00 C ATOM 1882 C ARG A 119 5.450 7.974 5.079 1.00 0.00 C ATOM 1883 O ARG A 119 5.013 7.478 6.121 1.00 0.00 O ATOM 1884 CB ARG A 119 6.162 10.321 5.682 1.00 0.00 C ATOM 1885 CG ARG A 119 7.640 10.192 5.294 1.00 0.00 C ATOM 1886 CD ARG A 119 8.418 9.072 5.999 1.00 0.00 C ATOM 1887 NE ARG A 119 8.839 9.445 7.356 1.00 0.00 N ATOM 1888 CZ ARG A 119 9.619 8.718 8.168 1.00 0.00 C ATOM 1889 NH1 ARG A 119 9.954 7.471 7.847 1.00 0.00 N ATOM 1890 NH2 ARG A 119 10.061 9.240 9.302 1.00 0.00 N ATOM 0 H ARG A 119 3.664 10.304 5.790 1.00 0.00 H new ATOM 0 HA ARG A 119 5.590 9.673 3.764 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.852 11.363 5.603 1.00 0.00 H new ATOM 0 HB3 ARG A 119 6.029 10.027 6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.701 10.030 4.218 1.00 0.00 H new ATOM 0 HG3 ARG A 119 8.135 11.140 5.502 1.00 0.00 H new ATOM 0 HD2 ARG A 119 7.796 8.178 6.048 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.297 8.817 5.407 1.00 0.00 H new ATOM 0 HE ARG A 119 8.507 10.341 7.714 1.00 0.00 H new ATOM 0 HH11 ARG A 119 9.617 7.060 6.976 1.00 0.00 H new ATOM 0 HH12 ARG A 119 10.548 6.926 8.472 1.00 0.00 H new ATOM 0 HH21 ARG A 119 9.808 10.195 9.557 1.00 0.00 H new ATOM 0 HH22 ARG A 119 10.655 8.687 9.921 1.00 0.00 H new ATOM 1904 N ALA A 120 6.096 7.283 4.154 1.00 0.00 N ATOM 1905 CA ALA A 120 6.388 5.869 4.218 1.00 0.00 C ATOM 1906 C ALA A 120 7.901 5.630 4.203 1.00 0.00 C ATOM 1907 O ALA A 120 8.675 6.540 3.901 1.00 0.00 O ATOM 1908 CB ALA A 120 5.701 5.152 3.057 1.00 0.00 C ATOM 0 H ALA A 120 6.445 7.718 3.300 1.00 0.00 H new ATOM 0 HA ALA A 120 6.002 5.463 5.153 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.922 4.086 3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.623 5.303 3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.067 5.555 2.113 1.00 0.00 H new ATOM 1914 N VAL A 121 8.326 4.395 4.466 1.00 0.00 N ATOM 1915 CA VAL A 121 9.725 3.977 4.504 1.00 0.00 C ATOM 1916 C VAL A 121 9.867 2.578 3.937 1.00 0.00 C ATOM 1917 O VAL A 121 8.987 1.745 4.116 1.00 0.00 O ATOM 1918 CB VAL A 121 10.245 4.076 5.942 1.00 0.00 C ATOM 1919 CG1 VAL A 121 9.407 3.369 6.977 1.00 0.00 C ATOM 1920 CG2 VAL A 121 11.732 3.750 6.087 1.00 0.00 C ATOM 0 H VAL A 121 7.681 3.631 4.666 1.00 0.00 H new ATOM 0 HA VAL A 121 10.331 4.637 3.883 1.00 0.00 H new ATOM 0 HB VAL A 121 10.135 5.137 6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.858 3.498 7.961 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.402 3.790 6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.354 2.307 6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 121 12.024 3.842 7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 121 11.916 2.731 5.747 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.317 4.444 5.484 1.00 0.00 H new ATOM 1930 N LEU A 122 10.966 2.303 3.245 1.00 0.00 N ATOM 1931 CA LEU A 122 11.232 1.009 2.640 1.00 0.00 C ATOM 1932 C LEU A 122 11.392 -0.014 3.772 1.00 0.00 C ATOM 1933 O LEU A 122 12.089 0.280 4.742 1.00 0.00 O ATOM 1934 CB LEU A 122 12.452 1.174 1.715 1.00 0.00 C ATOM 1935 CG LEU A 122 12.613 0.022 0.726 1.00 0.00 C ATOM 1936 CD1 LEU A 122 11.452 -0.001 -0.273 1.00 0.00 C ATOM 1937 CD2 LEU A 122 13.898 0.140 -0.097 1.00 0.00 C ATOM 0 H LEU A 122 11.708 2.985 3.087 1.00 0.00 H new ATOM 0 HA LEU A 122 10.423 0.634 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.358 2.109 1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 122 13.353 1.252 2.323 1.00 0.00 H new ATOM 0 HG LEU A 122 12.639 -0.886 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 122 11.587 -0.829 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.512 -0.127 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.430 0.938 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 122 13.968 -0.702 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 122 13.883 1.071 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 122 14.760 0.135 0.571 1.00 0.00 H new ATOM 1949 N ILE A 123 10.719 -1.172 3.689 1.00 0.00 N ATOM 1950 CA ILE A 123 10.775 -2.201 4.736 1.00 0.00 C ATOM 1951 C ILE A 123 11.861 -3.168 4.329 1.00 0.00 C ATOM 1952 O ILE A 123 12.840 -3.289 5.049 1.00 0.00 O ATOM 1953 CB ILE A 123 9.409 -2.896 4.893 1.00 0.00 C ATOM 1954 CG1 ILE A 123 8.336 -1.892 5.337 1.00 0.00 C ATOM 1955 CG2 ILE A 123 9.459 -4.028 5.938 1.00 0.00 C ATOM 1956 CD1 ILE A 123 6.953 -2.310 4.846 1.00 0.00 C ATOM 0 H ILE A 123 10.124 -1.420 2.898 1.00 0.00 H new ATOM 0 HA ILE A 123 11.002 -1.768 5.710 1.00 0.00 H new ATOM 0 HB ILE A 123 9.161 -3.314 3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 123 8.332 -1.817 6.424 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.578 -0.902 4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 123 8.476 -4.492 6.019 1.00 0.00 H new ATOM 0 HG22 ILE A 123 10.190 -4.776 5.630 1.00 0.00 H new ATOM 0 HG23 ILE A 123 9.747 -3.617 6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.214 -1.580 5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.953 -2.360 3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.703 -3.289 5.254 1.00 0.00 H new