USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 590 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 61 ASN : amide:sc= 0.0749 X(o=0.15,f=0.45) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.0519 USER MOD Set 1.3: A 67 THR OG1 : rot 180:sc= 0.0186 USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= -0.254 USER MOD Set 2.2: A 66 CYS SG : rot 25:sc= 0.25 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc=-0.00984 X(o=-0.0098,f=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.25) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 139:sc= -0.713 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= -0.139 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -164:sc=-0.000975 (180deg=-0.0888) USER MOD Single : A 69 SER OG : rot 170:sc= -0.923 USER MOD Single : A 70 TYR OH : rot -163:sc= -3.22! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -46:sc= 0.806 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 160:sc= -0.104 (180deg=-0.46) USER MOD Single : A 88 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.27) USER MOD Single : A 92 SER OG : rot -105:sc= -0.46 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.776 USER MOD ----------------------------------------------------------------- ATOM 178 N SER A 15 -5.584 -7.705 5.815 1.00 0.00 N ATOM 179 CA SER A 15 -5.958 -6.296 5.855 1.00 0.00 C ATOM 180 C SER A 15 -4.764 -5.427 6.239 1.00 0.00 C ATOM 181 O SER A 15 -3.940 -5.816 7.066 1.00 0.00 O ATOM 182 CB SER A 15 -7.102 -6.078 6.847 1.00 0.00 C ATOM 183 OG SER A 15 -7.425 -4.703 6.958 1.00 0.00 O ATOM 0 HA SER A 15 -6.291 -6.006 4.858 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.980 -6.636 6.523 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.819 -6.469 7.825 1.00 0.00 H new ATOM 0 HG SER A 15 -8.160 -4.590 7.596 1.00 0.00 H new ATOM 189 N ALA A 16 -4.678 -4.248 5.631 1.00 0.00 N ATOM 190 CA ALA A 16 -3.587 -3.323 5.910 1.00 0.00 C ATOM 191 C ALA A 16 -4.079 -2.119 6.707 1.00 0.00 C ATOM 192 O ALA A 16 -5.266 -1.795 6.691 1.00 0.00 O ATOM 193 CB ALA A 16 -2.935 -2.869 4.612 1.00 0.00 C ATOM 0 H ALA A 16 -5.351 -3.911 4.942 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.845 -3.846 6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.122 -2.178 4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.540 -3.735 4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.676 -2.368 3.989 1.00 0.00 H new ATOM 199 N TYR A 17 -3.159 -1.460 7.403 1.00 0.00 N ATOM 200 CA TYR A 17 -3.499 -0.294 8.208 1.00 0.00 C ATOM 201 C TYR A 17 -2.295 0.630 8.367 1.00 0.00 C ATOM 202 O TYR A 17 -1.269 0.241 8.924 1.00 0.00 O ATOM 203 CB TYR A 17 -4.007 -0.729 9.584 1.00 0.00 C ATOM 204 CG TYR A 17 -2.914 -1.225 10.504 1.00 0.00 C ATOM 205 CD1 TYR A 17 -2.204 -0.343 11.310 1.00 0.00 C ATOM 206 CD2 TYR A 17 -2.591 -2.574 10.566 1.00 0.00 C ATOM 207 CE1 TYR A 17 -1.205 -0.791 12.151 1.00 0.00 C ATOM 208 CE2 TYR A 17 -1.593 -3.032 11.406 1.00 0.00 C ATOM 209 CZ TYR A 17 -0.903 -2.136 12.196 1.00 0.00 C ATOM 210 OH TYR A 17 0.092 -2.588 13.033 1.00 0.00 O ATOM 0 H TYR A 17 -2.171 -1.714 7.425 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.288 0.254 7.692 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.515 0.112 10.057 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.748 -1.518 9.456 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.438 0.711 11.278 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.129 -3.277 9.947 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.663 -0.092 12.770 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.355 -4.085 11.443 1.00 0.00 H new ATOM 0 HH TYR A 17 0.177 -3.560 12.945 1.00 0.00 H new ATOM 220 N GLY A 18 -2.429 1.856 7.872 1.00 0.00 N ATOM 221 CA GLY A 18 -1.345 2.817 7.968 1.00 0.00 C ATOM 222 C GLY A 18 -1.761 4.206 7.523 1.00 0.00 C ATOM 223 O GLY A 18 -2.842 4.406 6.969 1.00 0.00 O ATOM 0 H GLY A 18 -3.268 2.201 7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.991 2.859 8.998 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.508 2.478 7.357 1.00 0.00 H new ATOM 227 N PRO A 19 -0.890 5.195 7.770 1.00 0.00 N ATOM 228 CA PRO A 19 -1.150 6.590 7.400 1.00 0.00 C ATOM 229 C PRO A 19 -1.119 6.805 5.891 1.00 0.00 C ATOM 230 O PRO A 19 -1.923 7.559 5.344 1.00 0.00 O ATOM 231 CB PRO A 19 -0.008 7.355 8.073 1.00 0.00 C ATOM 232 CG PRO A 19 1.089 6.357 8.207 1.00 0.00 C ATOM 233 CD PRO A 19 0.417 5.029 8.427 1.00 0.00 C ATOM 0 HA PRO A 19 -2.142 6.916 7.713 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.305 8.209 7.472 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.311 7.744 9.045 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.709 6.337 7.311 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.743 6.606 9.042 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.988 4.212 7.986 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.308 4.805 9.488 1.00 0.00 H new ATOM 241 N GLY A 20 -0.184 6.136 5.221 1.00 0.00 N ATOM 242 CA GLY A 20 -0.066 6.268 3.781 1.00 0.00 C ATOM 243 C GLY A 20 -1.261 5.694 3.046 1.00 0.00 C ATOM 244 O GLY A 20 -1.600 6.143 1.951 1.00 0.00 O ATOM 0 H GLY A 20 0.493 5.505 5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.043 7.322 3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.840 5.763 3.446 1.00 0.00 H new ATOM 248 N LEU A 21 -1.901 4.697 3.648 1.00 0.00 N ATOM 249 CA LEU A 21 -3.064 4.059 3.043 1.00 0.00 C ATOM 250 C LEU A 21 -4.283 4.973 3.110 1.00 0.00 C ATOM 251 O LEU A 21 -4.999 5.143 2.123 1.00 0.00 O ATOM 252 CB LEU A 21 -3.367 2.734 3.746 1.00 0.00 C ATOM 253 CG LEU A 21 -2.339 1.619 3.549 1.00 0.00 C ATOM 254 CD1 LEU A 21 -2.725 0.389 4.355 1.00 0.00 C ATOM 255 CD2 LEU A 21 -2.206 1.272 2.073 1.00 0.00 C ATOM 0 H LEU A 21 -1.634 4.313 4.555 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.836 3.864 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.464 2.927 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.335 2.374 3.398 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.373 1.974 3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.982 -0.394 4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.769 0.646 5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.701 0.031 4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.470 0.477 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.170 0.937 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.882 2.154 1.520 1.00 0.00 H new ATOM 267 N SER A 22 -4.512 5.562 4.279 1.00 0.00 N ATOM 268 CA SER A 22 -5.645 6.458 4.476 1.00 0.00 C ATOM 269 C SER A 22 -5.475 7.736 3.659 1.00 0.00 C ATOM 270 O SER A 22 -6.419 8.214 3.029 1.00 0.00 O ATOM 271 CB SER A 22 -5.798 6.804 5.958 1.00 0.00 C ATOM 272 OG SER A 22 -6.517 5.795 6.645 1.00 0.00 O ATOM 0 H SER A 22 -3.927 5.435 5.105 1.00 0.00 H new ATOM 0 HA SER A 22 -6.545 5.946 4.135 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.814 6.925 6.410 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.316 7.758 6.061 1.00 0.00 H new ATOM 0 HG SER A 22 -6.600 6.039 7.591 1.00 0.00 H new ATOM 278 N HIS A 23 -4.264 8.284 3.674 1.00 0.00 N ATOM 279 CA HIS A 23 -3.968 9.506 2.934 1.00 0.00 C ATOM 280 C HIS A 23 -2.464 9.756 2.878 1.00 0.00 C ATOM 281 O HIS A 23 -1.677 8.994 3.437 1.00 0.00 O ATOM 282 CB HIS A 23 -4.672 10.700 3.579 1.00 0.00 C ATOM 283 CG HIS A 23 -4.103 11.084 4.910 1.00 0.00 C ATOM 284 ND1 HIS A 23 -4.494 10.495 6.094 1.00 0.00 N ATOM 285 CD2 HIS A 23 -3.166 12.003 5.240 1.00 0.00 C ATOM 286 CE1 HIS A 23 -3.823 11.036 7.095 1.00 0.00 C ATOM 287 NE2 HIS A 23 -3.010 11.953 6.604 1.00 0.00 N ATOM 0 H HIS A 23 -3.472 7.901 4.190 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.336 9.384 1.915 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.609 11.555 2.906 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.730 10.466 3.699 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.639 12.654 4.558 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -3.923 10.773 8.138 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.370 12.531 7.149 1.00 0.00 H new ATOM 296 N GLY A 24 -2.073 10.830 2.198 1.00 0.00 N ATOM 297 CA GLY A 24 -0.665 11.161 2.081 1.00 0.00 C ATOM 298 C GLY A 24 -0.435 12.453 1.323 1.00 0.00 C ATOM 299 O GLY A 24 -1.368 13.222 1.096 1.00 0.00 O ATOM 0 H GLY A 24 -2.706 11.476 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.231 11.245 3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.145 10.348 1.574 1.00 0.00 H new ATOM 303 N MET A 25 0.813 12.693 0.931 1.00 0.00 N ATOM 304 CA MET A 25 1.162 13.902 0.195 1.00 0.00 C ATOM 305 C MET A 25 2.197 13.601 -0.885 1.00 0.00 C ATOM 306 O MET A 25 2.875 12.575 -0.839 1.00 0.00 O ATOM 307 CB MET A 25 1.700 14.970 1.150 1.00 0.00 C ATOM 308 CG MET A 25 0.766 15.274 2.310 1.00 0.00 C ATOM 309 SD MET A 25 0.803 13.999 3.585 1.00 0.00 S ATOM 310 CE MET A 25 2.245 14.500 4.522 1.00 0.00 C ATOM 0 H MET A 25 1.598 12.067 1.111 1.00 0.00 H new ATOM 0 HA MET A 25 0.259 14.278 -0.286 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.661 14.642 1.545 1.00 0.00 H new ATOM 0 HB3 MET A 25 1.882 15.888 0.591 1.00 0.00 H new ATOM 0 HG2 MET A 25 1.041 16.232 2.752 1.00 0.00 H new ATOM 0 HG3 MET A 25 -0.252 15.377 1.934 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.401 13.807 5.349 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.121 14.493 3.873 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.092 15.505 4.915 1.00 0.00 H new ATOM 320 N VAL A 26 2.314 14.502 -1.855 1.00 0.00 N ATOM 321 CA VAL A 26 3.267 14.333 -2.945 1.00 0.00 C ATOM 322 C VAL A 26 4.702 14.366 -2.431 1.00 0.00 C ATOM 323 O VAL A 26 5.020 15.101 -1.497 1.00 0.00 O ATOM 324 CB VAL A 26 3.092 15.425 -4.018 1.00 0.00 C ATOM 325 CG1 VAL A 26 4.127 15.260 -5.121 1.00 0.00 C ATOM 326 CG2 VAL A 26 1.682 15.390 -4.588 1.00 0.00 C ATOM 0 H VAL A 26 1.760 15.357 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 26 3.067 13.359 -3.392 1.00 0.00 H new ATOM 0 HB VAL A 26 3.246 16.398 -3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.988 16.040 -5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.128 15.339 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.008 14.283 -5.589 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.576 16.168 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.497 14.416 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.962 15.561 -3.788 1.00 0.00 H new ATOM 336 N ASN A 27 5.564 13.564 -3.048 1.00 0.00 N ATOM 337 CA ASN A 27 6.966 13.501 -2.652 1.00 0.00 C ATOM 338 C ASN A 27 7.106 12.983 -1.224 1.00 0.00 C ATOM 339 O ASN A 27 7.998 13.399 -0.485 1.00 0.00 O ATOM 340 CB ASN A 27 7.614 14.882 -2.771 1.00 0.00 C ATOM 341 CG ASN A 27 8.181 15.138 -4.154 1.00 0.00 C ATOM 342 OD1 ASN A 27 9.263 14.658 -4.492 1.00 0.00 O ATOM 343 ND2 ASN A 27 7.450 15.898 -4.962 1.00 0.00 N ATOM 0 H ASN A 27 5.316 12.949 -3.823 1.00 0.00 H new ATOM 0 HA ASN A 27 7.476 12.809 -3.322 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.875 15.648 -2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.411 14.971 -2.033 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.780 16.105 -5.905 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.559 16.275 -4.640 1.00 0.00 H new ATOM 350 N LYS A 28 6.218 12.071 -0.842 1.00 0.00 N ATOM 351 CA LYS A 28 6.242 11.493 0.496 1.00 0.00 C ATOM 352 C LYS A 28 5.956 9.995 0.447 1.00 0.00 C ATOM 353 O LYS A 28 4.913 9.554 -0.034 1.00 0.00 O ATOM 354 CB LYS A 28 5.217 12.189 1.393 1.00 0.00 C ATOM 355 CG LYS A 28 5.498 13.667 1.604 1.00 0.00 C ATOM 356 CD LYS A 28 6.557 13.887 2.671 1.00 0.00 C ATOM 357 CE LYS A 28 7.074 15.317 2.657 1.00 0.00 C ATOM 358 NZ LYS A 28 6.243 16.216 3.505 1.00 0.00 N ATOM 0 H LYS A 28 5.472 11.716 -1.441 1.00 0.00 H new ATOM 0 HA LYS A 28 7.239 11.642 0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.226 12.075 0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.196 11.690 2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.828 14.113 0.666 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.578 14.175 1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.139 13.660 3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.386 13.198 2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.105 15.334 3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.083 15.690 1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.628 17.181 3.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.265 16.220 3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.255 15.875 4.488 1.00 0.00 H new ATOM 372 N PRO A 29 6.903 9.194 0.958 1.00 0.00 N ATOM 373 CA PRO A 29 6.774 7.734 0.985 1.00 0.00 C ATOM 374 C PRO A 29 5.707 7.265 1.969 1.00 0.00 C ATOM 375 O PRO A 29 5.961 7.156 3.169 1.00 0.00 O ATOM 376 CB PRO A 29 8.160 7.264 1.434 1.00 0.00 C ATOM 377 CG PRO A 29 8.719 8.412 2.200 1.00 0.00 C ATOM 378 CD PRO A 29 8.172 9.652 1.548 1.00 0.00 C ATOM 0 HA PRO A 29 6.466 7.334 0.019 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.093 6.370 2.053 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.789 7.014 0.580 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.426 8.361 3.249 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.809 8.405 2.173 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.013 10.451 2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.851 10.040 0.789 1.00 0.00 H new ATOM 386 N ALA A 30 4.514 6.987 1.454 1.00 0.00 N ATOM 387 CA ALA A 30 3.410 6.527 2.287 1.00 0.00 C ATOM 388 C ALA A 30 3.695 5.143 2.860 1.00 0.00 C ATOM 389 O ALA A 30 3.576 4.135 2.164 1.00 0.00 O ATOM 390 CB ALA A 30 2.116 6.514 1.488 1.00 0.00 C ATOM 0 H ALA A 30 4.287 7.072 0.463 1.00 0.00 H new ATOM 0 HA ALA A 30 3.302 7.221 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.300 6.168 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.898 7.521 1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.222 5.843 0.635 1.00 0.00 H new ATOM 396 N THR A 31 4.072 5.101 4.134 1.00 0.00 N ATOM 397 CA THR A 31 4.376 3.841 4.800 1.00 0.00 C ATOM 398 C THR A 31 3.141 3.272 5.489 1.00 0.00 C ATOM 399 O THR A 31 2.361 4.007 6.095 1.00 0.00 O ATOM 400 CB THR A 31 5.498 4.011 5.842 1.00 0.00 C ATOM 401 OG1 THR A 31 5.014 4.752 6.967 1.00 0.00 O ATOM 402 CG2 THR A 31 6.695 4.726 5.234 1.00 0.00 C ATOM 0 H THR A 31 4.174 5.926 4.725 1.00 0.00 H new ATOM 0 HA THR A 31 4.710 3.149 4.027 1.00 0.00 H new ATOM 0 HB THR A 31 5.814 3.020 6.170 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.733 4.854 7.625 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.475 4.835 5.988 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.079 4.144 4.396 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.390 5.712 4.882 1.00 0.00 H new ATOM 410 N PHE A 32 2.969 1.957 5.395 1.00 0.00 N ATOM 411 CA PHE A 32 1.827 1.289 6.009 1.00 0.00 C ATOM 412 C PHE A 32 2.173 -0.151 6.377 1.00 0.00 C ATOM 413 O PHE A 32 3.161 -0.707 5.896 1.00 0.00 O ATOM 414 CB PHE A 32 0.626 1.311 5.062 1.00 0.00 C ATOM 415 CG PHE A 32 0.859 0.564 3.780 1.00 0.00 C ATOM 416 CD1 PHE A 32 1.599 1.133 2.756 1.00 0.00 C ATOM 417 CD2 PHE A 32 0.340 -0.708 3.600 1.00 0.00 C ATOM 418 CE1 PHE A 32 1.814 0.448 1.575 1.00 0.00 C ATOM 419 CE2 PHE A 32 0.552 -1.398 2.422 1.00 0.00 C ATOM 420 CZ PHE A 32 1.292 -0.820 1.408 1.00 0.00 C ATOM 0 H PHE A 32 3.606 1.333 4.900 1.00 0.00 H new ATOM 0 HA PHE A 32 1.571 1.827 6.921 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.236 0.881 5.572 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.376 2.346 4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.012 2.123 2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.237 -1.166 4.390 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.390 0.904 0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.140 -2.388 2.294 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.462 -1.358 0.487 1.00 0.00 H new ATOM 430 N THR A 33 1.353 -0.750 7.235 1.00 0.00 N ATOM 431 CA THR A 33 1.571 -2.123 7.669 1.00 0.00 C ATOM 432 C THR A 33 0.484 -3.049 7.134 1.00 0.00 C ATOM 433 O THR A 33 -0.700 -2.715 7.170 1.00 0.00 O ATOM 434 CB THR A 33 1.608 -2.227 9.206 1.00 0.00 C ATOM 435 OG1 THR A 33 2.890 -1.818 9.694 1.00 0.00 O ATOM 436 CG2 THR A 33 1.318 -3.650 9.659 1.00 0.00 C ATOM 0 H THR A 33 0.531 -0.304 7.643 1.00 0.00 H new ATOM 0 HA THR A 33 2.536 -2.432 7.268 1.00 0.00 H new ATOM 0 HB THR A 33 0.839 -1.569 9.611 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.905 -1.885 10.672 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.350 -3.699 10.747 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.329 -3.948 9.311 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.067 -4.324 9.244 1.00 0.00 H new ATOM 444 N ILE A 34 0.895 -4.212 6.640 1.00 0.00 N ATOM 445 CA ILE A 34 -0.045 -5.186 6.099 1.00 0.00 C ATOM 446 C ILE A 34 -0.094 -6.441 6.963 1.00 0.00 C ATOM 447 O ILE A 34 0.921 -7.108 7.166 1.00 0.00 O ATOM 448 CB ILE A 34 0.322 -5.583 4.657 1.00 0.00 C ATOM 449 CG1 ILE A 34 0.572 -4.334 3.809 1.00 0.00 C ATOM 450 CG2 ILE A 34 -0.780 -6.434 4.045 1.00 0.00 C ATOM 451 CD1 ILE A 34 1.228 -4.628 2.479 1.00 0.00 C ATOM 0 H ILE A 34 1.872 -4.503 6.603 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.026 -4.710 6.097 1.00 0.00 H new ATOM 0 HB ILE A 34 1.238 -6.173 4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.377 -3.828 3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.201 -3.644 4.371 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.506 -6.706 3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.914 -7.338 4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.711 -5.868 4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.375 -3.697 1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.193 -5.106 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.590 -5.294 1.898 1.00 0.00 H new ATOM 463 N VAL A 35 -1.281 -6.759 7.470 1.00 0.00 N ATOM 464 CA VAL A 35 -1.463 -7.936 8.310 1.00 0.00 C ATOM 465 C VAL A 35 -1.291 -9.219 7.504 1.00 0.00 C ATOM 466 O VAL A 35 -2.153 -9.583 6.703 1.00 0.00 O ATOM 467 CB VAL A 35 -2.853 -7.942 8.974 1.00 0.00 C ATOM 468 CG1 VAL A 35 -3.042 -9.201 9.807 1.00 0.00 C ATOM 469 CG2 VAL A 35 -3.043 -6.696 9.825 1.00 0.00 C ATOM 0 H VAL A 35 -2.131 -6.217 7.313 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.698 -7.893 9.085 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.610 -7.937 8.190 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.030 -9.187 10.268 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.953 -10.078 9.166 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.279 -9.241 10.584 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.030 -6.717 10.286 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.280 -6.667 10.603 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.955 -5.810 9.197 1.00 0.00 H new ATOM 479 N THR A 36 -0.171 -9.902 7.722 1.00 0.00 N ATOM 480 CA THR A 36 0.115 -11.144 7.015 1.00 0.00 C ATOM 481 C THR A 36 0.546 -12.240 7.983 1.00 0.00 C ATOM 482 O THR A 36 1.011 -13.302 7.568 1.00 0.00 O ATOM 483 CB THR A 36 1.217 -10.947 5.957 1.00 0.00 C ATOM 484 OG1 THR A 36 2.365 -10.334 6.554 1.00 0.00 O ATOM 485 CG2 THR A 36 0.716 -10.087 4.807 1.00 0.00 C ATOM 0 H THR A 36 0.552 -9.616 8.382 1.00 0.00 H new ATOM 0 HA THR A 36 -0.807 -11.444 6.517 1.00 0.00 H new ATOM 0 HB THR A 36 1.492 -11.926 5.564 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.062 -10.214 5.875 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.512 -9.962 4.073 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.139 -10.571 4.336 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.416 -9.110 5.187 1.00 0.00 H new ATOM 493 N LYS A 37 0.388 -11.977 9.276 1.00 0.00 N ATOM 494 CA LYS A 37 0.759 -12.941 10.305 1.00 0.00 C ATOM 495 C LYS A 37 0.015 -14.259 10.108 1.00 0.00 C ATOM 496 O LYS A 37 0.549 -15.332 10.389 1.00 0.00 O ATOM 497 CB LYS A 37 0.458 -12.376 11.695 1.00 0.00 C ATOM 498 CG LYS A 37 -1.024 -12.185 11.966 1.00 0.00 C ATOM 499 CD LYS A 37 -1.297 -11.978 13.447 1.00 0.00 C ATOM 500 CE LYS A 37 -2.697 -11.431 13.684 1.00 0.00 C ATOM 501 NZ LYS A 37 -3.738 -12.485 13.527 1.00 0.00 N ATOM 0 H LYS A 37 0.005 -11.103 9.636 1.00 0.00 H new ATOM 0 HA LYS A 37 1.829 -13.131 10.221 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.873 -13.046 12.448 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.966 -11.418 11.806 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.390 -11.326 11.404 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.575 -13.056 11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.181 -12.924 13.975 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.561 -11.289 13.861 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.757 -11.008 14.687 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.893 -10.619 12.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.678 -12.073 13.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.698 -12.871 12.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.566 -13.248 14.213 1.00 0.00 H new ATOM 573 N LEU A 44 1.503 -13.186 -2.646 1.00 0.00 N ATOM 574 CA LEU A 44 0.979 -11.848 -2.394 1.00 0.00 C ATOM 575 C LEU A 44 1.479 -10.860 -3.443 1.00 0.00 C ATOM 576 O LEU A 44 2.677 -10.782 -3.715 1.00 0.00 O ATOM 577 CB LEU A 44 1.384 -11.375 -0.997 1.00 0.00 C ATOM 578 CG LEU A 44 0.780 -10.047 -0.537 1.00 0.00 C ATOM 579 CD1 LEU A 44 -0.620 -10.261 0.018 1.00 0.00 C ATOM 580 CD2 LEU A 44 1.673 -9.388 0.504 1.00 0.00 C ATOM 0 HA LEU A 44 -0.108 -11.894 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.105 -12.146 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.470 -11.288 -0.965 1.00 0.00 H new ATOM 0 HG LEU A 44 0.709 -9.384 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.034 -9.305 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.257 -10.690 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.574 -10.942 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.228 -8.444 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.775 -10.048 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.656 -9.199 0.073 1.00 0.00 H new ATOM 592 N SER A 45 0.553 -10.106 -4.027 1.00 0.00 N ATOM 593 CA SER A 45 0.900 -9.124 -5.048 1.00 0.00 C ATOM 594 C SER A 45 0.609 -7.708 -4.560 1.00 0.00 C ATOM 595 O SER A 45 -0.387 -7.466 -3.877 1.00 0.00 O ATOM 596 CB SER A 45 0.125 -9.401 -6.337 1.00 0.00 C ATOM 597 OG SER A 45 0.756 -10.412 -7.104 1.00 0.00 O ATOM 0 H SER A 45 -0.443 -10.156 -3.811 1.00 0.00 H new ATOM 0 HA SER A 45 1.968 -9.208 -5.250 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.893 -9.706 -6.095 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.052 -8.486 -6.925 1.00 0.00 H new ATOM 0 HG SER A 45 0.240 -10.572 -7.922 1.00 0.00 H new ATOM 603 N LEU A 46 1.486 -6.775 -4.915 1.00 0.00 N ATOM 604 CA LEU A 46 1.324 -5.382 -4.514 1.00 0.00 C ATOM 605 C LEU A 46 1.571 -4.444 -5.692 1.00 0.00 C ATOM 606 O LEU A 46 2.495 -4.649 -6.478 1.00 0.00 O ATOM 607 CB LEU A 46 2.283 -5.045 -3.371 1.00 0.00 C ATOM 608 CG LEU A 46 1.924 -5.623 -2.001 1.00 0.00 C ATOM 609 CD1 LEU A 46 3.180 -5.864 -1.178 1.00 0.00 C ATOM 610 CD2 LEU A 46 0.970 -4.695 -1.264 1.00 0.00 C ATOM 0 H LEU A 46 2.316 -6.958 -5.479 1.00 0.00 H new ATOM 0 HA LEU A 46 0.298 -5.245 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.278 -5.398 -3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.343 -3.960 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 46 1.424 -6.580 -2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.905 -6.275 -0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.828 -6.568 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.709 -4.921 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.726 -5.122 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.443 -3.723 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.057 -4.574 -1.847 1.00 0.00 H new ATOM 622 N ALA A 47 0.738 -3.415 -5.806 1.00 0.00 N ATOM 623 CA ALA A 47 0.868 -2.444 -6.885 1.00 0.00 C ATOM 624 C ALA A 47 0.064 -1.182 -6.588 1.00 0.00 C ATOM 625 O ALA A 47 -0.786 -1.171 -5.698 1.00 0.00 O ATOM 626 CB ALA A 47 0.422 -3.057 -8.204 1.00 0.00 C ATOM 0 H ALA A 47 -0.034 -3.232 -5.165 1.00 0.00 H new ATOM 0 HA ALA A 47 1.919 -2.164 -6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.525 -2.320 -9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.042 -3.925 -8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.621 -3.366 -8.128 1.00 0.00 H new ATOM 632 N VAL A 48 0.339 -0.120 -7.339 1.00 0.00 N ATOM 633 CA VAL A 48 -0.359 1.147 -7.156 1.00 0.00 C ATOM 634 C VAL A 48 -0.740 1.763 -8.497 1.00 0.00 C ATOM 635 O VAL A 48 0.085 1.851 -9.407 1.00 0.00 O ATOM 636 CB VAL A 48 0.500 2.152 -6.367 1.00 0.00 C ATOM 637 CG1 VAL A 48 -0.197 3.501 -6.284 1.00 0.00 C ATOM 638 CG2 VAL A 48 0.807 1.615 -4.977 1.00 0.00 C ATOM 0 H VAL A 48 1.040 -0.112 -8.080 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.264 0.931 -6.589 1.00 0.00 H new ATOM 0 HB VAL A 48 1.444 2.289 -6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.425 4.198 -5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.360 3.889 -7.290 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.156 3.384 -5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.415 2.338 -4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.125 1.447 -4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.352 0.675 -5.062 1.00 0.00 H new ATOM 648 N GLU A 49 -1.994 2.189 -8.612 1.00 0.00 N ATOM 649 CA GLU A 49 -2.483 2.798 -9.844 1.00 0.00 C ATOM 650 C GLU A 49 -3.136 4.147 -9.562 1.00 0.00 C ATOM 651 O GLU A 49 -4.253 4.214 -9.048 1.00 0.00 O ATOM 652 CB GLU A 49 -3.484 1.869 -10.535 1.00 0.00 C ATOM 653 CG GLU A 49 -2.829 0.736 -11.308 1.00 0.00 C ATOM 654 CD GLU A 49 -2.378 1.159 -12.692 1.00 0.00 C ATOM 655 OE1 GLU A 49 -2.240 2.379 -12.924 1.00 0.00 O ATOM 656 OE2 GLU A 49 -2.162 0.272 -13.544 1.00 0.00 O ATOM 0 H GLU A 49 -2.689 2.124 -7.868 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.630 2.958 -10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.153 1.447 -9.785 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.100 2.455 -11.217 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.970 0.367 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.532 -0.093 -11.396 1.00 0.00 H new ATOM 663 N GLY A 50 -2.431 5.222 -9.900 1.00 0.00 N ATOM 664 CA GLY A 50 -2.957 6.556 -9.676 1.00 0.00 C ATOM 665 C GLY A 50 -2.571 7.525 -10.776 1.00 0.00 C ATOM 666 O GLY A 50 -2.285 7.131 -11.907 1.00 0.00 O ATOM 0 H GLY A 50 -1.504 5.193 -10.325 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.044 6.507 -9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.591 6.932 -8.720 1.00 0.00 H new ATOM 670 N PRO A 51 -2.561 8.825 -10.448 1.00 0.00 N ATOM 671 CA PRO A 51 -2.210 9.880 -11.404 1.00 0.00 C ATOM 672 C PRO A 51 -0.730 9.860 -11.772 1.00 0.00 C ATOM 673 O PRO A 51 -0.256 10.714 -12.521 1.00 0.00 O ATOM 674 CB PRO A 51 -2.558 11.168 -10.654 1.00 0.00 C ATOM 675 CG PRO A 51 -2.463 10.805 -9.213 1.00 0.00 C ATOM 676 CD PRO A 51 -2.890 9.366 -9.119 1.00 0.00 C ATOM 0 HA PRO A 51 -2.739 9.766 -12.350 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.866 11.972 -10.906 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.559 11.517 -10.909 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.446 10.935 -8.844 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.106 11.443 -8.607 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.357 8.839 -8.328 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.954 9.276 -8.901 1.00 0.00 H new ATOM 684 N SER A 52 -0.006 8.881 -11.240 1.00 0.00 N ATOM 685 CA SER A 52 1.421 8.752 -11.510 1.00 0.00 C ATOM 686 C SER A 52 1.981 7.481 -10.880 1.00 0.00 C ATOM 687 O SER A 52 1.595 7.099 -9.775 1.00 0.00 O ATOM 688 CB SER A 52 2.174 9.973 -10.977 1.00 0.00 C ATOM 689 OG SER A 52 3.345 10.221 -11.736 1.00 0.00 O ATOM 0 H SER A 52 -0.384 8.165 -10.619 1.00 0.00 H new ATOM 0 HA SER A 52 1.557 8.692 -12.590 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.524 10.847 -11.009 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.441 9.812 -9.933 1.00 0.00 H new ATOM 0 HG SER A 52 3.443 11.185 -11.881 1.00 0.00 H new ATOM 695 N LYS A 53 2.893 6.828 -11.592 1.00 0.00 N ATOM 696 CA LYS A 53 3.509 5.599 -11.104 1.00 0.00 C ATOM 697 C LYS A 53 4.414 5.881 -9.909 1.00 0.00 C ATOM 698 O LYS A 53 5.384 6.631 -10.017 1.00 0.00 O ATOM 699 CB LYS A 53 4.314 4.930 -12.221 1.00 0.00 C ATOM 700 CG LYS A 53 4.813 3.541 -11.862 1.00 0.00 C ATOM 701 CD LYS A 53 5.197 2.750 -13.101 1.00 0.00 C ATOM 702 CE LYS A 53 6.556 3.177 -13.635 1.00 0.00 C ATOM 703 NZ LYS A 53 6.983 2.344 -14.794 1.00 0.00 N ATOM 0 H LYS A 53 3.222 7.129 -12.509 1.00 0.00 H new ATOM 0 HA LYS A 53 2.714 4.926 -10.784 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.694 4.865 -13.115 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.167 5.561 -12.470 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.675 3.623 -11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.039 3.006 -11.313 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.216 1.686 -12.864 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.441 2.891 -13.873 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.516 4.224 -13.935 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.298 3.102 -12.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.913 2.666 -15.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.046 1.348 -14.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.288 2.435 -15.562 1.00 0.00 H new ATOM 717 N ALA A 54 4.091 5.274 -8.772 1.00 0.00 N ATOM 718 CA ALA A 54 4.878 5.457 -7.558 1.00 0.00 C ATOM 719 C ALA A 54 5.661 4.195 -7.216 1.00 0.00 C ATOM 720 O ALA A 54 5.110 3.095 -7.209 1.00 0.00 O ATOM 721 CB ALA A 54 3.975 5.852 -6.399 1.00 0.00 C ATOM 0 H ALA A 54 3.290 4.651 -8.666 1.00 0.00 H new ATOM 0 HA ALA A 54 5.594 6.259 -7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.575 5.985 -5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.465 6.786 -6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.237 5.068 -6.230 1.00 0.00 H new ATOM 727 N GLU A 55 6.949 4.361 -6.933 1.00 0.00 N ATOM 728 CA GLU A 55 7.807 3.233 -6.591 1.00 0.00 C ATOM 729 C GLU A 55 7.437 2.663 -5.225 1.00 0.00 C ATOM 730 O GLU A 55 7.333 3.396 -4.241 1.00 0.00 O ATOM 731 CB GLU A 55 9.276 3.662 -6.596 1.00 0.00 C ATOM 732 CG GLU A 55 9.838 3.894 -7.988 1.00 0.00 C ATOM 733 CD GLU A 55 10.991 4.879 -7.996 1.00 0.00 C ATOM 734 OE1 GLU A 55 10.756 6.069 -7.697 1.00 0.00 O ATOM 735 OE2 GLU A 55 12.127 4.460 -8.300 1.00 0.00 O ATOM 0 H GLU A 55 7.421 5.265 -6.934 1.00 0.00 H new ATOM 0 HA GLU A 55 7.660 2.456 -7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.380 4.578 -6.014 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.871 2.897 -6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.174 2.944 -8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.045 4.263 -8.639 1.00 0.00 H new ATOM 742 N ILE A 56 7.240 1.350 -5.173 1.00 0.00 N ATOM 743 CA ILE A 56 6.882 0.680 -3.928 1.00 0.00 C ATOM 744 C ILE A 56 8.090 -0.017 -3.312 1.00 0.00 C ATOM 745 O ILE A 56 8.800 -0.766 -3.985 1.00 0.00 O ATOM 746 CB ILE A 56 5.762 -0.354 -4.147 1.00 0.00 C ATOM 747 CG1 ILE A 56 4.583 0.286 -4.882 1.00 0.00 C ATOM 748 CG2 ILE A 56 5.311 -0.936 -2.816 1.00 0.00 C ATOM 749 CD1 ILE A 56 3.704 -0.714 -5.600 1.00 0.00 C ATOM 0 H ILE A 56 7.322 0.729 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 56 6.524 1.451 -3.246 1.00 0.00 H new ATOM 0 HB ILE A 56 6.152 -1.165 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.977 0.842 -4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.964 1.007 -5.605 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.519 -1.665 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.154 -1.424 -2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.936 -0.136 -2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.889 -0.190 -6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.296 -1.253 -6.340 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.293 -1.421 -4.879 1.00 0.00 H new ATOM 761 N THR A 57 8.318 0.231 -2.026 1.00 0.00 N ATOM 762 CA THR A 57 9.440 -0.373 -1.318 1.00 0.00 C ATOM 763 C THR A 57 8.960 -1.421 -0.320 1.00 0.00 C ATOM 764 O THR A 57 8.535 -1.088 0.787 1.00 0.00 O ATOM 765 CB THR A 57 10.270 0.688 -0.572 1.00 0.00 C ATOM 766 OG1 THR A 57 10.624 1.751 -1.464 1.00 0.00 O ATOM 767 CG2 THR A 57 11.531 0.073 0.017 1.00 0.00 C ATOM 0 H THR A 57 7.740 0.846 -1.453 1.00 0.00 H new ATOM 0 HA THR A 57 10.068 -0.852 -2.070 1.00 0.00 H new ATOM 0 HB THR A 57 9.663 1.085 0.242 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.150 2.422 -0.981 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.101 0.842 0.539 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.258 -0.715 0.718 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.139 -0.348 -0.784 1.00 0.00 H new ATOM 775 N CYS A 58 9.031 -2.686 -0.719 1.00 0.00 N ATOM 776 CA CYS A 58 8.603 -3.783 0.142 1.00 0.00 C ATOM 777 C CYS A 58 9.710 -4.175 1.114 1.00 0.00 C ATOM 778 O CYS A 58 10.894 -4.122 0.779 1.00 0.00 O ATOM 779 CB CYS A 58 8.197 -4.992 -0.702 1.00 0.00 C ATOM 780 SG CYS A 58 6.541 -4.871 -1.418 1.00 0.00 S ATOM 0 H CYS A 58 9.380 -2.977 -1.632 1.00 0.00 H new ATOM 0 HA CYS A 58 7.742 -3.445 0.718 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.921 -5.119 -1.507 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.249 -5.888 -0.083 1.00 0.00 H new ATOM 0 HG CYS A 58 6.291 -5.939 -2.115 1.00 0.00 H new ATOM 786 N LYS A 59 9.319 -4.567 2.322 1.00 0.00 N ATOM 787 CA LYS A 59 10.277 -4.968 3.345 1.00 0.00 C ATOM 788 C LYS A 59 9.850 -6.273 4.010 1.00 0.00 C ATOM 789 O LYS A 59 8.658 -6.550 4.144 1.00 0.00 O ATOM 790 CB LYS A 59 10.419 -3.868 4.399 1.00 0.00 C ATOM 791 CG LYS A 59 11.793 -3.818 5.045 1.00 0.00 C ATOM 792 CD LYS A 59 11.864 -4.710 6.273 1.00 0.00 C ATOM 793 CE LYS A 59 13.033 -4.331 7.170 1.00 0.00 C ATOM 794 NZ LYS A 59 14.343 -4.671 6.549 1.00 0.00 N ATOM 0 H LYS A 59 8.344 -4.615 2.617 1.00 0.00 H new ATOM 0 HA LYS A 59 11.241 -5.126 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.209 -2.904 3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.668 -4.020 5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.547 -4.131 4.323 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.027 -2.791 5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.933 -4.633 6.835 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.964 -5.750 5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.998 -3.262 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.939 -4.847 8.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.113 -4.397 7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.388 -5.695 6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.444 -4.159 5.649 1.00 0.00 H new ATOM 808 N ASP A 60 10.829 -7.068 4.426 1.00 0.00 N ATOM 809 CA ASP A 60 10.554 -8.342 5.080 1.00 0.00 C ATOM 810 C ASP A 60 10.866 -8.266 6.571 1.00 0.00 C ATOM 811 O ASP A 60 12.006 -8.024 6.965 1.00 0.00 O ATOM 812 CB ASP A 60 11.372 -9.460 4.431 1.00 0.00 C ATOM 813 CG ASP A 60 12.700 -8.967 3.892 1.00 0.00 C ATOM 814 OD1 ASP A 60 12.722 -8.438 2.760 1.00 0.00 O ATOM 815 OD2 ASP A 60 13.717 -9.109 4.601 1.00 0.00 O ATOM 0 H ASP A 60 11.821 -6.853 4.322 1.00 0.00 H new ATOM 0 HA ASP A 60 9.493 -8.562 4.960 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.550 -10.248 5.163 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.796 -9.904 3.619 1.00 0.00 H new ATOM 820 N ASN A 61 9.844 -8.474 7.396 1.00 0.00 N ATOM 821 CA ASN A 61 10.009 -8.427 8.844 1.00 0.00 C ATOM 822 C ASN A 61 10.135 -9.833 9.423 1.00 0.00 C ATOM 823 O ASN A 61 10.397 -10.006 10.613 1.00 0.00 O ATOM 824 CB ASN A 61 8.827 -7.702 9.490 1.00 0.00 C ATOM 825 CG ASN A 61 8.612 -6.317 8.910 1.00 0.00 C ATOM 826 OD1 ASN A 61 9.534 -5.502 8.862 1.00 0.00 O ATOM 827 ND2 ASN A 61 7.391 -6.044 8.466 1.00 0.00 N ATOM 0 H ASN A 61 8.894 -8.677 7.086 1.00 0.00 H new ATOM 0 HA ASN A 61 10.926 -7.879 9.062 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.922 -8.295 9.354 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.997 -7.621 10.564 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.187 -5.128 8.065 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.657 -6.750 8.526 1.00 0.00 H new ATOM 834 N LYS A 62 9.946 -10.836 8.572 1.00 0.00 N ATOM 835 CA LYS A 62 10.039 -12.228 8.996 1.00 0.00 C ATOM 836 C LYS A 62 9.550 -12.394 10.431 1.00 0.00 C ATOM 837 O LYS A 62 10.075 -13.212 11.186 1.00 0.00 O ATOM 838 CB LYS A 62 11.483 -12.723 8.879 1.00 0.00 C ATOM 839 CG LYS A 62 12.517 -11.617 9.003 1.00 0.00 C ATOM 840 CD LYS A 62 12.645 -10.825 7.713 1.00 0.00 C ATOM 841 CE LYS A 62 13.745 -11.383 6.823 1.00 0.00 C ATOM 842 NZ LYS A 62 15.100 -11.060 7.349 1.00 0.00 N ATOM 0 H LYS A 62 9.727 -10.710 7.584 1.00 0.00 H new ATOM 0 HA LYS A 62 9.402 -12.824 8.342 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.666 -13.469 9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.610 -13.222 7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.238 -10.947 9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.483 -12.049 9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.696 -10.845 7.177 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.858 -9.781 7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.634 -12.464 6.743 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.639 -10.977 5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.807 -11.210 6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.125 -10.067 7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.315 -11.678 8.157 1.00 0.00 H new ATOM 856 N ASP A 63 8.540 -11.614 10.800 1.00 0.00 N ATOM 857 CA ASP A 63 7.977 -11.676 12.144 1.00 0.00 C ATOM 858 C ASP A 63 6.477 -11.949 12.093 1.00 0.00 C ATOM 859 O ASP A 63 5.900 -12.480 13.041 1.00 0.00 O ATOM 860 CB ASP A 63 8.244 -10.369 12.893 1.00 0.00 C ATOM 861 CG ASP A 63 8.010 -10.499 14.385 1.00 0.00 C ATOM 862 OD1 ASP A 63 7.176 -11.338 14.783 1.00 0.00 O ATOM 863 OD2 ASP A 63 8.660 -9.760 15.155 1.00 0.00 O ATOM 0 H ASP A 63 8.094 -10.931 10.187 1.00 0.00 H new ATOM 0 HA ASP A 63 8.460 -12.496 12.676 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.273 -10.055 12.715 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.599 -9.586 12.494 1.00 0.00 H new ATOM 868 N GLY A 64 5.851 -11.582 10.979 1.00 0.00 N ATOM 869 CA GLY A 64 4.423 -11.795 10.826 1.00 0.00 C ATOM 870 C GLY A 64 3.721 -10.597 10.217 1.00 0.00 C ATOM 871 O GLY A 64 2.549 -10.346 10.499 1.00 0.00 O ATOM 0 H GLY A 64 6.307 -11.141 10.180 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.254 -12.669 10.198 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.985 -12.013 11.800 1.00 0.00 H new ATOM 875 N THR A 65 4.438 -9.854 9.380 1.00 0.00 N ATOM 876 CA THR A 65 3.878 -8.675 8.732 1.00 0.00 C ATOM 877 C THR A 65 4.680 -8.296 7.492 1.00 0.00 C ATOM 878 O THR A 65 5.628 -8.988 7.119 1.00 0.00 O ATOM 879 CB THR A 65 3.839 -7.472 9.693 1.00 0.00 C ATOM 880 OG1 THR A 65 5.156 -7.193 10.182 1.00 0.00 O ATOM 881 CG2 THR A 65 2.905 -7.742 10.862 1.00 0.00 C ATOM 0 H THR A 65 5.409 -10.048 9.135 1.00 0.00 H new ATOM 0 HA THR A 65 2.860 -8.929 8.438 1.00 0.00 H new ATOM 0 HB THR A 65 3.465 -6.608 9.143 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.123 -6.426 10.791 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.895 -6.878 11.526 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.898 -7.924 10.488 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.252 -8.617 11.411 1.00 0.00 H new ATOM 889 N CYS A 66 4.294 -7.194 6.859 1.00 0.00 N ATOM 890 CA CYS A 66 4.978 -6.723 5.660 1.00 0.00 C ATOM 891 C CYS A 66 4.922 -5.202 5.564 1.00 0.00 C ATOM 892 O CYS A 66 3.846 -4.616 5.434 1.00 0.00 O ATOM 893 CB CYS A 66 4.352 -7.348 4.412 1.00 0.00 C ATOM 894 SG CYS A 66 5.005 -8.982 3.998 1.00 0.00 S ATOM 0 H CYS A 66 3.512 -6.610 7.156 1.00 0.00 H new ATOM 0 HA CYS A 66 6.023 -7.027 5.725 1.00 0.00 H new ATOM 0 HB2 CYS A 66 3.275 -7.426 4.559 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.511 -6.680 3.566 1.00 0.00 H new ATOM 0 HG CYS A 66 5.475 -9.546 5.071 1.00 0.00 H new ATOM 900 N THR A 67 6.087 -4.566 5.631 1.00 0.00 N ATOM 901 CA THR A 67 6.171 -3.113 5.555 1.00 0.00 C ATOM 902 C THR A 67 6.383 -2.649 4.119 1.00 0.00 C ATOM 903 O THR A 67 7.288 -3.121 3.430 1.00 0.00 O ATOM 904 CB THR A 67 7.315 -2.570 6.433 1.00 0.00 C ATOM 905 OG1 THR A 67 7.035 -2.823 7.814 1.00 0.00 O ATOM 906 CG2 THR A 67 7.503 -1.077 6.213 1.00 0.00 C ATOM 0 H THR A 67 6.986 -5.035 5.738 1.00 0.00 H new ATOM 0 HA THR A 67 5.223 -2.722 5.924 1.00 0.00 H new ATOM 0 HB THR A 67 8.235 -3.081 6.150 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.768 -2.476 8.365 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.316 -0.716 6.843 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.745 -0.891 5.167 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.583 -0.552 6.471 1.00 0.00 H new ATOM 914 N VAL A 68 5.544 -1.720 3.672 1.00 0.00 N ATOM 915 CA VAL A 68 5.641 -1.190 2.317 1.00 0.00 C ATOM 916 C VAL A 68 5.560 0.332 2.315 1.00 0.00 C ATOM 917 O VAL A 68 4.983 0.934 3.221 1.00 0.00 O ATOM 918 CB VAL A 68 4.528 -1.753 1.413 1.00 0.00 C ATOM 919 CG1 VAL A 68 4.749 -1.333 -0.031 1.00 0.00 C ATOM 920 CG2 VAL A 68 4.461 -3.269 1.532 1.00 0.00 C ATOM 0 H VAL A 68 4.789 -1.319 4.229 1.00 0.00 H new ATOM 0 HA VAL A 68 6.610 -1.500 1.925 1.00 0.00 H new ATOM 0 HB VAL A 68 3.574 -1.343 1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.953 -1.740 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.742 -0.245 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.711 -1.712 -0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.669 -3.650 0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.415 -3.700 1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.250 -3.544 2.566 1.00 0.00 H new ATOM 930 N SER A 69 6.142 0.949 1.292 1.00 0.00 N ATOM 931 CA SER A 69 6.139 2.402 1.173 1.00 0.00 C ATOM 932 C SER A 69 6.111 2.828 -0.292 1.00 0.00 C ATOM 933 O SER A 69 6.938 2.392 -1.093 1.00 0.00 O ATOM 934 CB SER A 69 7.370 2.993 1.864 1.00 0.00 C ATOM 935 OG SER A 69 7.614 2.356 3.106 1.00 0.00 O ATOM 0 H SER A 69 6.622 0.465 0.533 1.00 0.00 H new ATOM 0 HA SER A 69 5.240 2.780 1.660 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.241 2.883 1.218 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.224 4.061 2.022 1.00 0.00 H new ATOM 0 HG SER A 69 8.488 2.635 3.450 1.00 0.00 H new ATOM 941 N TYR A 70 5.152 3.681 -0.634 1.00 0.00 N ATOM 942 CA TYR A 70 5.013 4.165 -2.003 1.00 0.00 C ATOM 943 C TYR A 70 5.195 5.678 -2.067 1.00 0.00 C ATOM 944 O TYR A 70 4.599 6.421 -1.286 1.00 0.00 O ATOM 945 CB TYR A 70 3.643 3.780 -2.564 1.00 0.00 C ATOM 946 CG TYR A 70 2.517 4.662 -2.071 1.00 0.00 C ATOM 947 CD1 TYR A 70 2.291 5.912 -2.632 1.00 0.00 C ATOM 948 CD2 TYR A 70 1.681 4.244 -1.043 1.00 0.00 C ATOM 949 CE1 TYR A 70 1.265 6.721 -2.185 1.00 0.00 C ATOM 950 CE2 TYR A 70 0.651 5.045 -0.590 1.00 0.00 C ATOM 951 CZ TYR A 70 0.447 6.283 -1.164 1.00 0.00 C ATOM 952 OH TYR A 70 -0.577 7.085 -0.714 1.00 0.00 O ATOM 0 H TYR A 70 4.460 4.052 0.017 1.00 0.00 H new ATOM 0 HA TYR A 70 5.791 3.699 -2.608 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.679 3.826 -3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.427 2.746 -2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.929 6.258 -3.432 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.839 3.276 -0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.104 7.691 -2.632 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.009 4.704 0.209 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.882 6.766 0.161 1.00 0.00 H new ATOM 962 N LEU A 71 6.022 6.128 -3.003 1.00 0.00 N ATOM 963 CA LEU A 71 6.284 7.553 -3.172 1.00 0.00 C ATOM 964 C LEU A 71 5.613 8.085 -4.435 1.00 0.00 C ATOM 965 O LEU A 71 6.108 7.916 -5.549 1.00 0.00 O ATOM 966 CB LEU A 71 7.791 7.811 -3.235 1.00 0.00 C ATOM 967 CG LEU A 71 8.213 9.230 -3.620 1.00 0.00 C ATOM 968 CD1 LEU A 71 8.334 10.105 -2.382 1.00 0.00 C ATOM 969 CD2 LEU A 71 9.527 9.205 -4.388 1.00 0.00 C ATOM 0 H LEU A 71 6.523 5.527 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 71 5.867 8.078 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.221 7.577 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.229 7.116 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 71 7.445 9.655 -4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.635 11.111 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.372 10.149 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.082 9.684 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.812 10.223 -4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.304 8.761 -3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.407 8.613 -5.295 1.00 0.00 H new ATOM 981 N PRO A 72 4.458 8.744 -4.258 1.00 0.00 N ATOM 982 CA PRO A 72 3.695 9.316 -5.371 1.00 0.00 C ATOM 983 C PRO A 72 4.397 10.515 -6.000 1.00 0.00 C ATOM 984 O PRO A 72 5.233 11.161 -5.367 1.00 0.00 O ATOM 985 CB PRO A 72 2.382 9.749 -4.715 1.00 0.00 C ATOM 986 CG PRO A 72 2.729 9.977 -3.285 1.00 0.00 C ATOM 987 CD PRO A 72 3.809 8.983 -2.958 1.00 0.00 C ATOM 0 HA PRO A 72 3.566 8.603 -6.185 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.989 10.655 -5.176 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.616 8.981 -4.819 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.077 10.998 -3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.859 9.833 -2.644 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.512 9.380 -2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.397 8.065 -2.540 1.00 0.00 H new ATOM 995 N THR A 73 4.052 10.809 -7.250 1.00 0.00 N ATOM 996 CA THR A 73 4.650 11.930 -7.964 1.00 0.00 C ATOM 997 C THR A 73 3.635 13.046 -8.183 1.00 0.00 C ATOM 998 O THR A 73 4.005 14.204 -8.380 1.00 0.00 O ATOM 999 CB THR A 73 5.214 11.490 -9.328 1.00 0.00 C ATOM 1000 OG1 THR A 73 6.038 10.330 -9.167 1.00 0.00 O ATOM 1001 CG2 THR A 73 6.023 12.609 -9.966 1.00 0.00 C ATOM 0 H THR A 73 3.361 10.286 -7.789 1.00 0.00 H new ATOM 0 HA THR A 73 5.466 12.301 -7.344 1.00 0.00 H new ATOM 0 HB THR A 73 4.376 11.251 -9.982 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.391 10.056 -10.039 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.411 12.275 -10.928 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.385 13.480 -10.115 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.854 12.875 -9.313 1.00 0.00 H new ATOM 1009 N ALA A 74 2.355 12.692 -8.145 1.00 0.00 N ATOM 1010 CA ALA A 74 1.287 13.666 -8.336 1.00 0.00 C ATOM 1011 C ALA A 74 0.148 13.432 -7.349 1.00 0.00 C ATOM 1012 O ALA A 74 -0.155 12.300 -6.970 1.00 0.00 O ATOM 1013 CB ALA A 74 0.770 13.608 -9.765 1.00 0.00 C ATOM 0 H ALA A 74 2.032 11.738 -7.984 1.00 0.00 H new ATOM 0 HA ALA A 74 1.696 14.659 -8.149 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.027 14.340 -9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.583 13.832 -10.455 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.383 12.610 -9.972 1.00 0.00 H new ATOM 1019 N PRO A 75 -0.500 14.526 -6.921 1.00 0.00 N ATOM 1020 CA PRO A 75 -1.615 14.465 -5.973 1.00 0.00 C ATOM 1021 C PRO A 75 -2.866 13.846 -6.588 1.00 0.00 C ATOM 1022 O PRO A 75 -3.148 14.037 -7.770 1.00 0.00 O ATOM 1023 CB PRO A 75 -1.863 15.934 -5.622 1.00 0.00 C ATOM 1024 CG PRO A 75 -1.356 16.695 -6.798 1.00 0.00 C ATOM 1025 CD PRO A 75 -0.192 15.906 -7.331 1.00 0.00 C ATOM 0 HA PRO A 75 -1.383 13.840 -5.111 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.922 16.127 -5.452 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.337 16.217 -4.710 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.132 16.806 -7.555 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.047 17.700 -6.509 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.109 15.994 -8.414 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.753 16.249 -6.910 1.00 0.00 H new ATOM 1033 N GLY A 76 -3.613 13.102 -5.777 1.00 0.00 N ATOM 1034 CA GLY A 76 -4.825 12.466 -6.260 1.00 0.00 C ATOM 1035 C GLY A 76 -5.181 11.222 -5.471 1.00 0.00 C ATOM 1036 O GLY A 76 -4.661 11.003 -4.376 1.00 0.00 O ATOM 0 H GLY A 76 -3.400 12.929 -4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.651 13.176 -6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.700 12.203 -7.310 1.00 0.00 H new ATOM 1040 N ASP A 77 -6.069 10.406 -6.026 1.00 0.00 N ATOM 1041 CA ASP A 77 -6.495 9.176 -5.367 1.00 0.00 C ATOM 1042 C ASP A 77 -5.742 7.972 -5.925 1.00 0.00 C ATOM 1043 O ASP A 77 -5.988 7.542 -7.052 1.00 0.00 O ATOM 1044 CB ASP A 77 -8.001 8.976 -5.538 1.00 0.00 C ATOM 1045 CG ASP A 77 -8.473 9.300 -6.942 1.00 0.00 C ATOM 1046 OD1 ASP A 77 -8.424 8.400 -7.807 1.00 0.00 O ATOM 1047 OD2 ASP A 77 -8.890 10.453 -7.177 1.00 0.00 O ATOM 0 H ASP A 77 -6.509 10.573 -6.931 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.267 9.264 -4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.256 7.943 -5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.532 9.607 -4.825 1.00 0.00 H new ATOM 1052 N TYR A 78 -4.825 7.434 -5.129 1.00 0.00 N ATOM 1053 CA TYR A 78 -4.034 6.281 -5.545 1.00 0.00 C ATOM 1054 C TYR A 78 -4.747 4.978 -5.197 1.00 0.00 C ATOM 1055 O TYR A 78 -5.353 4.853 -4.133 1.00 0.00 O ATOM 1056 CB TYR A 78 -2.657 6.316 -4.880 1.00 0.00 C ATOM 1057 CG TYR A 78 -1.709 7.316 -5.503 1.00 0.00 C ATOM 1058 CD1 TYR A 78 -1.828 8.674 -5.236 1.00 0.00 C ATOM 1059 CD2 TYR A 78 -0.695 6.903 -6.357 1.00 0.00 C ATOM 1060 CE1 TYR A 78 -0.965 9.592 -5.803 1.00 0.00 C ATOM 1061 CE2 TYR A 78 0.174 7.813 -6.928 1.00 0.00 C ATOM 1062 CZ TYR A 78 0.035 9.156 -6.648 1.00 0.00 C ATOM 1063 OH TYR A 78 0.897 10.067 -7.214 1.00 0.00 O ATOM 0 H TYR A 78 -4.611 7.777 -4.193 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.909 6.328 -6.627 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.779 6.553 -3.823 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.211 5.323 -4.934 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.609 9.018 -4.574 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.584 5.852 -6.579 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.072 10.645 -5.586 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.957 7.474 -7.590 1.00 0.00 H new ATOM 0 HH TYR A 78 0.387 10.828 -7.561 1.00 0.00 H new ATOM 1073 N SER A 79 -4.668 4.008 -6.103 1.00 0.00 N ATOM 1074 CA SER A 79 -5.307 2.714 -5.895 1.00 0.00 C ATOM 1075 C SER A 79 -4.269 1.638 -5.591 1.00 0.00 C ATOM 1076 O SER A 79 -3.564 1.171 -6.485 1.00 0.00 O ATOM 1077 CB SER A 79 -6.121 2.320 -7.129 1.00 0.00 C ATOM 1078 OG SER A 79 -7.317 3.074 -7.213 1.00 0.00 O ATOM 0 H SER A 79 -4.168 4.094 -6.988 1.00 0.00 H new ATOM 0 HA SER A 79 -5.976 2.800 -5.039 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.524 2.477 -8.028 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.360 1.257 -7.087 1.00 0.00 H new ATOM 0 HG SER A 79 -7.818 2.805 -8.011 1.00 0.00 H new ATOM 1084 N ILE A 80 -4.182 1.251 -4.323 1.00 0.00 N ATOM 1085 CA ILE A 80 -3.231 0.230 -3.900 1.00 0.00 C ATOM 1086 C ILE A 80 -3.830 -1.167 -4.032 1.00 0.00 C ATOM 1087 O ILE A 80 -4.585 -1.613 -3.167 1.00 0.00 O ATOM 1088 CB ILE A 80 -2.781 0.448 -2.444 1.00 0.00 C ATOM 1089 CG1 ILE A 80 -2.115 1.817 -2.293 1.00 0.00 C ATOM 1090 CG2 ILE A 80 -1.832 -0.659 -2.011 1.00 0.00 C ATOM 1091 CD1 ILE A 80 -2.285 2.424 -0.917 1.00 0.00 C ATOM 0 H ILE A 80 -4.758 1.629 -3.571 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.364 0.315 -4.555 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.660 0.419 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.051 1.720 -2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.531 2.498 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.523 -0.490 -0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.338 -1.622 -2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.954 -0.659 -2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.788 3.393 -0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.346 2.553 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.844 1.763 -0.171 1.00 0.00 H new ATOM 1103 N ILE A 81 -3.487 -1.852 -5.117 1.00 0.00 N ATOM 1104 CA ILE A 81 -3.989 -3.199 -5.360 1.00 0.00 C ATOM 1105 C ILE A 81 -3.192 -4.232 -4.571 1.00 0.00 C ATOM 1106 O ILE A 81 -1.967 -4.303 -4.679 1.00 0.00 O ATOM 1107 CB ILE A 81 -3.935 -3.558 -6.856 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -4.754 -2.558 -7.673 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -4.443 -4.975 -7.079 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -4.240 -2.363 -9.082 1.00 0.00 C ATOM 0 H ILE A 81 -2.864 -1.497 -5.842 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.027 -3.214 -5.029 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.898 -3.508 -7.189 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.789 -2.898 -7.716 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.756 -1.597 -7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -4.399 -5.214 -8.141 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.821 -5.676 -6.523 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.474 -5.051 -6.733 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.869 -1.641 -9.602 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.215 -1.993 -9.048 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.265 -3.314 -9.613 1.00 0.00 H new ATOM 1122 N VAL A 82 -3.895 -5.034 -3.778 1.00 0.00 N ATOM 1123 CA VAL A 82 -3.254 -6.067 -2.972 1.00 0.00 C ATOM 1124 C VAL A 82 -3.976 -7.402 -3.114 1.00 0.00 C ATOM 1125 O VAL A 82 -5.004 -7.634 -2.478 1.00 0.00 O ATOM 1126 CB VAL A 82 -3.214 -5.673 -1.484 1.00 0.00 C ATOM 1127 CG1 VAL A 82 -2.537 -6.760 -0.662 1.00 0.00 C ATOM 1128 CG2 VAL A 82 -2.506 -4.339 -1.305 1.00 0.00 C ATOM 0 H VAL A 82 -4.909 -4.989 -3.676 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.233 -6.169 -3.341 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.238 -5.565 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.518 -6.464 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.091 -7.693 -0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.516 -6.903 -1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.487 -4.076 -0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.485 -4.416 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.038 -3.567 -1.861 1.00 0.00 H new ATOM 1138 N ARG A 83 -3.431 -8.277 -3.953 1.00 0.00 N ATOM 1139 CA ARG A 83 -4.024 -9.590 -4.179 1.00 0.00 C ATOM 1140 C ARG A 83 -3.263 -10.669 -3.415 1.00 0.00 C ATOM 1141 O ARG A 83 -2.083 -10.508 -3.101 1.00 0.00 O ATOM 1142 CB ARG A 83 -4.032 -9.918 -5.674 1.00 0.00 C ATOM 1143 CG ARG A 83 -4.724 -8.865 -6.524 1.00 0.00 C ATOM 1144 CD ARG A 83 -4.696 -9.235 -7.999 1.00 0.00 C ATOM 1145 NE ARG A 83 -4.705 -8.055 -8.860 1.00 0.00 N ATOM 1146 CZ ARG A 83 -4.276 -8.059 -10.117 1.00 0.00 C ATOM 1147 NH1 ARG A 83 -3.807 -9.175 -10.657 1.00 0.00 N ATOM 1148 NH2 ARG A 83 -4.316 -6.945 -10.836 1.00 0.00 N ATOM 0 H ARG A 83 -2.580 -8.101 -4.487 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.050 -9.566 -3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.004 -10.033 -6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.527 -10.877 -5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.757 -8.752 -6.195 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.236 -7.901 -6.380 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.806 -9.829 -8.207 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.558 -9.860 -8.232 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.060 -7.180 -8.475 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.775 -10.033 -10.107 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.478 -9.175 -11.623 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.676 -6.085 -10.424 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.986 -6.949 -11.801 1.00 0.00 H new ATOM 1162 N PHE A 84 -3.947 -11.769 -3.117 1.00 0.00 N ATOM 1163 CA PHE A 84 -3.336 -12.875 -2.388 1.00 0.00 C ATOM 1164 C PHE A 84 -3.804 -14.217 -2.943 1.00 0.00 C ATOM 1165 O PHE A 84 -4.945 -14.626 -2.727 1.00 0.00 O ATOM 1166 CB PHE A 84 -3.674 -12.780 -0.899 1.00 0.00 C ATOM 1167 CG PHE A 84 -2.806 -13.645 -0.031 1.00 0.00 C ATOM 1168 CD1 PHE A 84 -1.432 -13.670 -0.209 1.00 0.00 C ATOM 1169 CD2 PHE A 84 -3.364 -14.433 0.963 1.00 0.00 C ATOM 1170 CE1 PHE A 84 -0.630 -14.465 0.589 1.00 0.00 C ATOM 1171 CE2 PHE A 84 -2.567 -15.229 1.764 1.00 0.00 C ATOM 1172 CZ PHE A 84 -1.198 -15.246 1.576 1.00 0.00 C ATOM 0 H PHE A 84 -4.924 -11.918 -3.369 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.255 -12.807 -2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.576 -11.743 -0.578 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.717 -13.062 -0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.982 -13.062 -0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.433 -14.425 1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.440 -14.475 0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.014 -15.837 2.536 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.574 -15.869 2.200 1.00 0.00 H new ATOM 1182 N ASP A 85 -2.915 -14.897 -3.659 1.00 0.00 N ATOM 1183 CA ASP A 85 -3.236 -16.193 -4.245 1.00 0.00 C ATOM 1184 C ASP A 85 -4.326 -16.055 -5.304 1.00 0.00 C ATOM 1185 O ASP A 85 -5.215 -16.900 -5.407 1.00 0.00 O ATOM 1186 CB ASP A 85 -3.685 -17.171 -3.158 1.00 0.00 C ATOM 1187 CG ASP A 85 -3.396 -18.614 -3.523 1.00 0.00 C ATOM 1188 OD1 ASP A 85 -3.996 -19.110 -4.499 1.00 0.00 O ATOM 1189 OD2 ASP A 85 -2.570 -19.247 -2.832 1.00 0.00 O ATOM 0 H ASP A 85 -1.967 -14.572 -3.847 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.337 -16.581 -4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.180 -16.928 -2.223 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.754 -17.050 -2.984 1.00 0.00 H new ATOM 1194 N ASP A 86 -4.250 -14.986 -6.088 1.00 0.00 N ATOM 1195 CA ASP A 86 -5.229 -14.738 -7.140 1.00 0.00 C ATOM 1196 C ASP A 86 -6.587 -14.378 -6.544 1.00 0.00 C ATOM 1197 O ASP A 86 -7.627 -14.824 -7.029 1.00 0.00 O ATOM 1198 CB ASP A 86 -5.363 -15.966 -8.042 1.00 0.00 C ATOM 1199 CG ASP A 86 -5.991 -15.635 -9.381 1.00 0.00 C ATOM 1200 OD1 ASP A 86 -5.272 -15.121 -10.263 1.00 0.00 O ATOM 1201 OD2 ASP A 86 -7.203 -15.888 -9.547 1.00 0.00 O ATOM 0 H ASP A 86 -3.520 -14.277 -6.015 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.879 -13.896 -7.737 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.378 -16.403 -8.204 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.967 -16.720 -7.537 1.00 0.00 H new ATOM 1206 N LYS A 87 -6.569 -13.570 -5.490 1.00 0.00 N ATOM 1207 CA LYS A 87 -7.798 -13.150 -4.827 1.00 0.00 C ATOM 1208 C LYS A 87 -7.626 -11.778 -4.182 1.00 0.00 C ATOM 1209 O LYS A 87 -6.697 -11.559 -3.404 1.00 0.00 O ATOM 1210 CB LYS A 87 -8.207 -14.176 -3.767 1.00 0.00 C ATOM 1211 CG LYS A 87 -8.536 -15.543 -4.341 1.00 0.00 C ATOM 1212 CD LYS A 87 -8.817 -16.555 -3.242 1.00 0.00 C ATOM 1213 CE LYS A 87 -10.196 -16.350 -2.635 1.00 0.00 C ATOM 1214 NZ LYS A 87 -11.280 -16.583 -3.628 1.00 0.00 N ATOM 0 H LYS A 87 -5.717 -13.193 -5.076 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.583 -13.083 -5.580 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.399 -14.280 -3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.075 -13.800 -3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.404 -15.465 -4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.705 -15.891 -4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.743 -17.564 -3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.059 -16.468 -2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.325 -17.027 -1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.273 -15.335 -2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.173 -16.769 -3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.388 -15.741 -4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.037 -17.402 -4.221 1.00 0.00 H new ATOM 1228 N HIS A 88 -8.528 -10.858 -4.508 1.00 0.00 N ATOM 1229 CA HIS A 88 -8.477 -9.508 -3.959 1.00 0.00 C ATOM 1230 C HIS A 88 -8.867 -9.507 -2.484 1.00 0.00 C ATOM 1231 O HIS A 88 -9.830 -10.164 -2.086 1.00 0.00 O ATOM 1232 CB HIS A 88 -9.404 -8.580 -4.744 1.00 0.00 C ATOM 1233 CG HIS A 88 -8.708 -7.815 -5.827 1.00 0.00 C ATOM 1234 ND1 HIS A 88 -8.461 -6.460 -5.753 1.00 0.00 N ATOM 1235 CD2 HIS A 88 -8.203 -8.223 -7.015 1.00 0.00 C ATOM 1236 CE1 HIS A 88 -7.837 -6.068 -6.849 1.00 0.00 C ATOM 1237 NE2 HIS A 88 -7.668 -7.119 -7.631 1.00 0.00 N ATOM 0 H HIS A 88 -9.303 -11.023 -5.150 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.453 -9.145 -4.047 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -10.207 -9.170 -5.186 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -9.869 -7.876 -4.054 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -8.218 -9.230 -7.405 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -7.519 -5.060 -7.069 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -7.214 -7.112 -8.544 1.00 0.00 H new ATOM 1246 N ILE A 89 -8.113 -8.767 -1.678 1.00 0.00 N ATOM 1247 CA ILE A 89 -8.381 -8.681 -0.248 1.00 0.00 C ATOM 1248 C ILE A 89 -9.553 -7.747 0.037 1.00 0.00 C ATOM 1249 O ILE A 89 -9.839 -6.821 -0.721 1.00 0.00 O ATOM 1250 CB ILE A 89 -7.145 -8.187 0.528 1.00 0.00 C ATOM 1251 CG1 ILE A 89 -6.783 -6.763 0.100 1.00 0.00 C ATOM 1252 CG2 ILE A 89 -5.970 -9.128 0.306 1.00 0.00 C ATOM 1253 CD1 ILE A 89 -5.768 -6.100 1.005 1.00 0.00 C ATOM 0 H ILE A 89 -7.312 -8.219 -1.991 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.632 -9.688 0.087 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.381 -8.177 1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.391 -6.786 -0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.689 -6.157 0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.104 -8.766 0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.233 -10.127 0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.730 -9.166 -0.757 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.559 -5.094 0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.166 -6.045 2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.847 -6.683 1.008 1.00 0.00 H new ATOM 1265 N PRO A 90 -10.247 -7.994 1.158 1.00 0.00 N ATOM 1266 CA PRO A 90 -11.397 -7.185 1.571 1.00 0.00 C ATOM 1267 C PRO A 90 -10.991 -5.783 2.014 1.00 0.00 C ATOM 1268 O PRO A 90 -10.851 -5.515 3.206 1.00 0.00 O ATOM 1269 CB PRO A 90 -11.979 -7.970 2.749 1.00 0.00 C ATOM 1270 CG PRO A 90 -10.829 -8.747 3.291 1.00 0.00 C ATOM 1271 CD PRO A 90 -9.962 -9.081 2.109 1.00 0.00 C ATOM 0 HA PRO A 90 -12.101 -7.032 0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.396 -7.302 3.503 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.785 -8.629 2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.277 -8.164 4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.171 -9.652 3.792 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.907 -9.111 2.381 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.211 -10.056 1.691 1.00 0.00 H new ATOM 1279 N GLY A 91 -10.804 -4.892 1.045 1.00 0.00 N ATOM 1280 CA GLY A 91 -10.417 -3.529 1.356 1.00 0.00 C ATOM 1281 C GLY A 91 -9.584 -2.898 0.258 1.00 0.00 C ATOM 1282 O GLY A 91 -9.339 -1.691 0.270 1.00 0.00 O ATOM 0 H GLY A 91 -10.914 -5.090 0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.312 -2.929 1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.852 -3.519 2.288 1.00 0.00 H new ATOM 1286 N SER A 92 -9.146 -3.715 -0.695 1.00 0.00 N ATOM 1287 CA SER A 92 -8.331 -3.231 -1.803 1.00 0.00 C ATOM 1288 C SER A 92 -9.107 -3.293 -3.115 1.00 0.00 C ATOM 1289 O SER A 92 -10.035 -4.084 -3.280 1.00 0.00 O ATOM 1290 CB SER A 92 -7.047 -4.054 -1.917 1.00 0.00 C ATOM 1291 OG SER A 92 -6.644 -4.186 -3.269 1.00 0.00 O ATOM 0 H SER A 92 -9.342 -4.716 -0.722 1.00 0.00 H new ATOM 0 HA SER A 92 -8.071 -2.191 -1.604 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.253 -3.576 -1.343 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.205 -5.041 -1.483 1.00 0.00 H new ATOM 0 HG SER A 92 -6.845 -5.092 -3.583 1.00 0.00 H new ATOM 1297 N PRO A 93 -8.718 -2.437 -4.072 1.00 0.00 N ATOM 1298 CA PRO A 93 -7.615 -1.490 -3.886 1.00 0.00 C ATOM 1299 C PRO A 93 -7.963 -0.381 -2.899 1.00 0.00 C ATOM 1300 O PRO A 93 -9.040 0.211 -2.969 1.00 0.00 O ATOM 1301 CB PRO A 93 -7.404 -0.912 -5.288 1.00 0.00 C ATOM 1302 CG PRO A 93 -8.722 -1.068 -5.964 1.00 0.00 C ATOM 1303 CD PRO A 93 -9.326 -2.328 -5.409 1.00 0.00 C ATOM 0 HA PRO A 93 -6.730 -1.972 -3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.103 0.135 -5.244 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.619 -1.447 -5.823 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.364 -0.209 -5.770 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.600 -1.137 -7.045 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.413 -2.262 -5.352 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.091 -3.193 -6.029 1.00 0.00 H new ATOM 1311 N PHE A 94 -7.044 -0.103 -1.980 1.00 0.00 N ATOM 1312 CA PHE A 94 -7.254 0.935 -0.978 1.00 0.00 C ATOM 1313 C PHE A 94 -7.036 2.321 -1.578 1.00 0.00 C ATOM 1314 O PHE A 94 -5.910 2.700 -1.904 1.00 0.00 O ATOM 1315 CB PHE A 94 -6.311 0.726 0.209 1.00 0.00 C ATOM 1316 CG PHE A 94 -6.737 -0.386 1.124 1.00 0.00 C ATOM 1317 CD1 PHE A 94 -6.473 -1.707 0.801 1.00 0.00 C ATOM 1318 CD2 PHE A 94 -7.403 -0.110 2.308 1.00 0.00 C ATOM 1319 CE1 PHE A 94 -6.863 -2.732 1.642 1.00 0.00 C ATOM 1320 CE2 PHE A 94 -7.795 -1.131 3.152 1.00 0.00 C ATOM 1321 CZ PHE A 94 -7.526 -2.444 2.818 1.00 0.00 C ATOM 0 H PHE A 94 -6.146 -0.582 -1.909 1.00 0.00 H new ATOM 0 HA PHE A 94 -8.285 0.867 -0.630 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.310 0.514 -0.166 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.248 1.652 0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -5.956 -1.939 -0.119 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.618 0.915 2.574 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.649 -3.758 1.379 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.312 -0.903 4.073 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.834 -3.244 3.476 1.00 0.00 H new ATOM 1331 N THR A 95 -8.122 3.075 -1.720 1.00 0.00 N ATOM 1332 CA THR A 95 -8.051 4.419 -2.281 1.00 0.00 C ATOM 1333 C THR A 95 -7.373 5.383 -1.315 1.00 0.00 C ATOM 1334 O THR A 95 -7.972 5.813 -0.330 1.00 0.00 O ATOM 1335 CB THR A 95 -9.452 4.957 -2.627 1.00 0.00 C ATOM 1336 OG1 THR A 95 -10.137 4.030 -3.478 1.00 0.00 O ATOM 1337 CG2 THR A 95 -9.357 6.310 -3.316 1.00 0.00 C ATOM 0 H THR A 95 -9.061 2.778 -1.454 1.00 0.00 H new ATOM 0 HA THR A 95 -7.460 4.350 -3.194 1.00 0.00 H new ATOM 0 HB THR A 95 -10.010 5.078 -1.698 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.028 4.379 -3.692 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.359 6.670 -3.551 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.862 7.021 -2.655 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.782 6.210 -4.237 1.00 0.00 H new ATOM 1345 N ALA A 96 -6.120 5.720 -1.604 1.00 0.00 N ATOM 1346 CA ALA A 96 -5.362 6.637 -0.762 1.00 0.00 C ATOM 1347 C ALA A 96 -5.378 8.050 -1.335 1.00 0.00 C ATOM 1348 O ALA A 96 -5.130 8.251 -2.524 1.00 0.00 O ATOM 1349 CB ALA A 96 -3.930 6.145 -0.603 1.00 0.00 C ATOM 0 H ALA A 96 -5.609 5.372 -2.415 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.836 6.667 0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.375 6.839 0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.934 5.158 -0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.455 6.085 -1.582 1.00 0.00 H new ATOM 1355 N LYS A 97 -5.672 9.026 -0.483 1.00 0.00 N ATOM 1356 CA LYS A 97 -5.720 10.421 -0.904 1.00 0.00 C ATOM 1357 C LYS A 97 -4.348 11.075 -0.776 1.00 0.00 C ATOM 1358 O LYS A 97 -3.720 11.019 0.282 1.00 0.00 O ATOM 1359 CB LYS A 97 -6.744 11.192 -0.068 1.00 0.00 C ATOM 1360 CG LYS A 97 -6.728 12.690 -0.317 1.00 0.00 C ATOM 1361 CD LYS A 97 -7.681 13.080 -1.435 1.00 0.00 C ATOM 1362 CE LYS A 97 -7.607 14.569 -1.736 1.00 0.00 C ATOM 1363 NZ LYS A 97 -8.298 15.380 -0.696 1.00 0.00 N ATOM 0 H LYS A 97 -5.881 8.876 0.504 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.020 10.449 -1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.741 10.807 -0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.552 11.006 0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.004 13.215 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.717 13.006 -0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.440 12.513 -2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.700 12.815 -1.155 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.563 14.875 -1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.058 14.766 -2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.225 16.389 -0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.300 15.106 -0.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.852 15.212 0.228 1.00 0.00 H new ATOM 1377 N ILE A 98 -3.890 11.696 -1.858 1.00 0.00 N ATOM 1378 CA ILE A 98 -2.594 12.363 -1.864 1.00 0.00 C ATOM 1379 C ILE A 98 -2.733 13.829 -2.258 1.00 0.00 C ATOM 1380 O ILE A 98 -3.166 14.149 -3.365 1.00 0.00 O ATOM 1381 CB ILE A 98 -1.612 11.674 -2.830 1.00 0.00 C ATOM 1382 CG1 ILE A 98 -1.421 10.208 -2.439 1.00 0.00 C ATOM 1383 CG2 ILE A 98 -0.277 12.404 -2.837 1.00 0.00 C ATOM 1384 CD1 ILE A 98 -0.787 10.023 -1.078 1.00 0.00 C ATOM 0 H ILE A 98 -4.397 11.751 -2.741 1.00 0.00 H new ATOM 0 HA ILE A 98 -2.200 12.298 -0.850 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.030 11.710 -3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.390 9.708 -2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.801 9.718 -3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.407 11.906 -3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.428 13.435 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.148 12.396 -1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.682 8.959 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 98 0.196 10.493 -1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.418 10.483 -0.317 1.00 0.00 H new ATOM 1396 N THR A 99 -2.360 14.720 -1.343 1.00 0.00 N ATOM 1397 CA THR A 99 -2.442 16.153 -1.594 1.00 0.00 C ATOM 1398 C THR A 99 -1.171 16.668 -2.261 1.00 0.00 C ATOM 1399 O THR A 99 -0.085 16.130 -2.048 1.00 0.00 O ATOM 1400 CB THR A 99 -2.679 16.939 -0.291 1.00 0.00 C ATOM 1401 OG1 THR A 99 -1.648 16.639 0.657 1.00 0.00 O ATOM 1402 CG2 THR A 99 -4.037 16.601 0.305 1.00 0.00 C ATOM 0 H THR A 99 -1.998 14.473 -0.422 1.00 0.00 H new ATOM 0 HA THR A 99 -3.289 16.309 -2.262 1.00 0.00 H new ATOM 0 HB THR A 99 -2.657 18.003 -0.526 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.805 17.144 1.482 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.182 17.168 1.225 1.00 0.00 H new ATOM 0 HG22 THR A 99 -4.821 16.858 -0.407 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.082 15.534 0.525 1.00 0.00 H new