USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 686 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 50 SER OG : rot 158:sc= 0.725 USER MOD Set 1.2: A 83 MET CE :methyl -142:sc= -2.44 (180deg=-8.51!) USER MOD Set 2.1: A 26 THR OG1 : rot 52:sc= 1.29 USER MOD Set 2.2: A 30 THR OG1 : rot 18:sc= 2.06 USER MOD Set 3.1: A 16 LYS NZ :NH3+ 151:sc= -0.0123 (180deg=-0.501) USER MOD Set 3.2: A 96 MET CE :methyl -123:sc= -4.53! (180deg=-11.1!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 96:sc= -4.29! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.89 X(o=-2.9,f=-2.6) USER MOD Single : A 28 HIS : no HD1:sc= -2.37! K(o=-2.4!,f=-1.3) USER MOD Single : A 36 SER OG : rot 180:sc= 0.056 USER MOD Single : A 37 TYR OH : rot 126:sc= 0.739 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 1.53 (180deg=1.53) USER MOD Single : A 53 SER OG : rot -36:sc= -1.98! USER MOD Single : A 55 ASN : amide:sc= -4.84! C(o=-4.8!,f=-11!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -3.58! C(o=-3.6!,f=-9.2!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 73 SER OG : rot 78:sc= 0.188 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0818 USER MOD Single : A 76 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.25) USER MOD Single : A 77 SER OG : rot -83:sc= 0.23 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -8.68! C(o=-8.7!,f=-7!) USER MOD Single : A 102 ASN : amide:sc= -2.59! C(o=-2.6!,f=-5.1!) USER MOD Single : A 103 HIS : no HE2:sc= -5.04! C(o=-5!,f=-8!) USER MOD Single : A 104 HIS : no HD1:sc= -2.43! K(o=-2.4!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 170 N MET A 12 0.108 15.296 10.513 1.00 50.00 N ATOM 171 CA MET A 12 -0.444 14.294 9.558 1.00 50.00 C ATOM 172 C MET A 12 -1.495 14.945 8.656 1.00 50.00 C ATOM 173 O MET A 12 -2.620 15.168 9.059 1.00 50.00 O ATOM 174 CB MET A 12 -1.086 13.221 10.440 1.00 50.00 C ATOM 175 CG MET A 12 -1.988 13.889 11.480 1.00 50.00 C ATOM 176 SD MET A 12 -1.102 14.022 13.052 1.00 50.00 S ATOM 177 CE MET A 12 -2.034 12.756 13.948 1.00 50.00 C ATOM 0 HA MET A 12 0.323 13.881 8.903 1.00 50.00 H new ATOM 0 HB2 MET A 12 -1.667 12.532 9.828 1.00 50.00 H new ATOM 0 HB3 MET A 12 -0.314 12.633 10.936 1.00 50.00 H new ATOM 0 HG2 MET A 12 -2.288 14.878 11.135 1.00 50.00 H new ATOM 0 HG3 MET A 12 -2.900 13.307 11.613 1.00 50.00 H new ATOM 0 HE1 MET A 12 -1.647 12.669 14.963 1.00 50.00 H new ATOM 0 HE2 MET A 12 -3.087 13.036 13.984 1.00 50.00 H new ATOM 0 HE3 MET A 12 -1.931 11.799 13.437 1.00 50.00 H new ATOM 187 N CYS A 13 -1.142 15.245 7.436 1.00 99.99 N ATOM 188 CA CYS A 13 -2.128 15.875 6.513 1.00 99.99 C ATOM 189 C CYS A 13 -1.851 15.452 5.064 1.00 99.99 C ATOM 190 O CYS A 13 -0.902 15.884 4.445 1.00 99.99 O ATOM 191 CB CYS A 13 -1.937 17.387 6.707 1.00 99.99 C ATOM 192 SG CYS A 13 -0.470 17.972 5.811 1.00 99.99 S ATOM 0 H CYS A 13 -0.217 15.082 7.039 1.00 99.99 H new ATOM 0 HA CYS A 13 -3.154 15.572 6.724 1.00 99.99 H new ATOM 0 HB2 CYS A 13 -2.821 17.918 6.353 1.00 99.99 H new ATOM 0 HB3 CYS A 13 -1.834 17.612 7.769 1.00 99.99 H new ATOM 197 N THR A 14 -2.678 14.610 4.511 1.00 99.99 N ATOM 198 CA THR A 14 -2.452 14.170 3.105 1.00 99.99 C ATOM 199 C THR A 14 -3.732 13.577 2.516 1.00 99.99 C ATOM 200 O THR A 14 -3.783 12.417 2.162 1.00 99.99 O ATOM 201 CB THR A 14 -1.359 13.107 3.191 1.00 99.99 C ATOM 202 OG1 THR A 14 -0.455 13.442 4.236 1.00 99.99 O ATOM 203 CG2 THR A 14 -0.606 13.041 1.862 1.00 99.99 C ATOM 0 H THR A 14 -3.497 14.209 4.968 1.00 99.99 H new ATOM 0 HA THR A 14 -2.165 15.000 2.459 1.00 99.99 H new ATOM 0 HB THR A 14 -1.810 12.137 3.399 1.00 99.99 H new ATOM 0 HG1 THR A 14 -0.703 12.957 5.051 1.00 99.99 H new ATOM 0 HG21 THR A 14 0.174 12.282 1.923 1.00 99.99 H new ATOM 0 HG22 THR A 14 -1.301 12.783 1.063 1.00 99.99 H new ATOM 0 HG23 THR A 14 -0.154 14.010 1.651 1.00 99.99 H new ATOM 211 N GLU A 15 -4.765 14.362 2.403 1.00 99.99 N ATOM 212 CA GLU A 15 -6.034 13.834 1.831 1.00 99.99 C ATOM 213 C GLU A 15 -5.993 13.907 0.301 1.00 99.99 C ATOM 214 O GLU A 15 -7.014 13.974 -0.353 1.00 99.99 O ATOM 215 CB GLU A 15 -7.130 14.748 2.383 1.00 99.99 C ATOM 216 CG GLU A 15 -7.136 16.069 1.610 1.00 99.99 C ATOM 217 CD GLU A 15 -8.264 16.051 0.578 1.00 99.99 C ATOM 218 OE1 GLU A 15 -9.078 15.144 0.634 1.00 99.99 O ATOM 219 OE2 GLU A 15 -8.295 16.945 -0.252 1.00 99.99 O ATOM 0 H GLU A 15 -4.786 15.343 2.681 1.00 99.99 H new ATOM 0 HA GLU A 15 -6.204 12.790 2.096 1.00 99.99 H new ATOM 0 HB2 GLU A 15 -8.101 14.261 2.297 1.00 99.99 H new ATOM 0 HB3 GLU A 15 -6.960 14.936 3.443 1.00 99.99 H new ATOM 0 HG2 GLU A 15 -7.271 16.904 2.297 1.00 99.99 H new ATOM 0 HG3 GLU A 15 -6.177 16.216 1.114 1.00 99.99 H new ATOM 226 N LYS A 16 -4.820 13.898 -0.275 1.00 50.00 N ATOM 227 CA LYS A 16 -4.725 13.973 -1.762 1.00 50.00 C ATOM 228 C LYS A 16 -3.942 12.778 -2.318 1.00 50.00 C ATOM 229 O LYS A 16 -2.916 12.940 -2.950 1.00 50.00 O ATOM 230 CB LYS A 16 -3.975 15.276 -2.048 1.00 50.00 C ATOM 231 CG LYS A 16 -4.456 16.371 -1.092 1.00 50.00 C ATOM 232 CD LYS A 16 -3.447 16.533 0.046 1.00 50.00 C ATOM 233 CE LYS A 16 -3.891 17.673 0.964 1.00 50.00 C ATOM 234 NZ LYS A 16 -3.061 17.520 2.192 1.00 50.00 N ATOM 0 H LYS A 16 -3.928 13.842 0.217 1.00 50.00 H new ATOM 0 HA LYS A 16 -5.709 13.950 -2.231 1.00 50.00 H new ATOM 0 HB2 LYS A 16 -2.902 15.123 -1.930 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -4.141 15.583 -3.081 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -4.570 17.313 -1.629 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -5.436 16.113 -0.690 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -3.370 15.605 0.612 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -2.457 16.743 -0.359 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -3.729 18.644 0.496 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -4.954 17.604 1.194 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -2.919 18.451 2.634 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -3.545 16.889 2.862 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -2.138 17.113 1.939 1.00 50.00 H new ATOM 248 N PHE A 17 -4.418 11.582 -2.102 1.00 50.00 N ATOM 249 CA PHE A 17 -3.705 10.389 -2.630 1.00 50.00 C ATOM 250 C PHE A 17 -4.369 9.920 -3.927 1.00 50.00 C ATOM 251 O PHE A 17 -5.566 10.037 -4.100 1.00 50.00 O ATOM 252 CB PHE A 17 -3.862 9.335 -1.539 1.00 50.00 C ATOM 253 CG PHE A 17 -2.514 8.767 -1.177 1.00 50.00 C ATOM 254 CD1 PHE A 17 -1.376 9.583 -1.171 1.00 50.00 C ATOM 255 CD2 PHE A 17 -2.410 7.417 -0.846 1.00 50.00 C ATOM 256 CE1 PHE A 17 -0.131 9.041 -0.831 1.00 50.00 C ATOM 257 CE2 PHE A 17 -1.166 6.872 -0.506 1.00 50.00 C ATOM 258 CZ PHE A 17 -0.025 7.685 -0.499 1.00 50.00 C ATOM 0 H PHE A 17 -5.272 11.381 -1.581 1.00 50.00 H new ATOM 0 HA PHE A 17 -2.659 10.590 -2.860 1.00 50.00 H new ATOM 0 HB2 PHE A 17 -4.328 9.777 -0.659 1.00 50.00 H new ATOM 0 HB3 PHE A 17 -4.522 8.538 -1.883 1.00 50.00 H new ATOM 0 HD1 PHE A 17 -1.459 10.629 -1.428 1.00 50.00 H new ATOM 0 HD2 PHE A 17 -3.290 6.791 -0.852 1.00 50.00 H new ATOM 0 HE1 PHE A 17 0.748 9.669 -0.825 1.00 50.00 H new ATOM 0 HE2 PHE A 17 -1.086 5.826 -0.249 1.00 50.00 H new ATOM 0 HZ PHE A 17 0.936 7.266 -0.238 1.00 50.00 H new ATOM 268 N SER A 18 -3.604 9.392 -4.842 1.00 50.00 N ATOM 269 CA SER A 18 -4.200 8.920 -6.127 1.00 50.00 C ATOM 270 C SER A 18 -3.775 7.478 -6.411 1.00 50.00 C ATOM 271 O SER A 18 -2.675 7.081 -6.101 1.00 50.00 O ATOM 272 CB SER A 18 -3.637 9.860 -7.191 1.00 50.00 C ATOM 273 OG SER A 18 -4.615 10.065 -8.203 1.00 50.00 O ATOM 0 H SER A 18 -2.595 9.266 -4.758 1.00 50.00 H new ATOM 0 HA SER A 18 -5.290 8.931 -6.104 1.00 50.00 H new ATOM 0 HB2 SER A 18 -3.358 10.813 -6.740 1.00 50.00 H new ATOM 0 HB3 SER A 18 -2.732 9.436 -7.625 1.00 50.00 H new ATOM 0 HG SER A 18 -4.257 10.669 -8.886 1.00 50.00 H new ATOM 279 N PHE A 19 -4.629 6.692 -7.006 1.00 50.00 N ATOM 280 CA PHE A 19 -4.243 5.282 -7.311 1.00 50.00 C ATOM 281 C PHE A 19 -3.497 5.231 -8.645 1.00 50.00 C ATOM 282 O PHE A 19 -4.087 5.338 -9.702 1.00 50.00 O ATOM 283 CB PHE A 19 -5.554 4.497 -7.407 1.00 50.00 C ATOM 284 CG PHE A 19 -6.606 5.127 -6.522 1.00 50.00 C ATOM 285 CD1 PHE A 19 -6.519 4.998 -5.131 1.00 50.00 C ATOM 286 CD2 PHE A 19 -7.668 5.837 -7.094 1.00 50.00 C ATOM 287 CE1 PHE A 19 -7.494 5.579 -4.312 1.00 50.00 C ATOM 288 CE2 PHE A 19 -8.644 6.418 -6.274 1.00 50.00 C ATOM 289 CZ PHE A 19 -8.556 6.289 -4.883 1.00 50.00 C ATOM 0 H PHE A 19 -5.570 6.960 -7.293 1.00 50.00 H new ATOM 0 HA PHE A 19 -3.587 4.866 -6.546 1.00 50.00 H new ATOM 0 HB2 PHE A 19 -5.901 4.479 -8.440 1.00 50.00 H new ATOM 0 HB3 PHE A 19 -5.389 3.462 -7.108 1.00 50.00 H new ATOM 0 HD1 PHE A 19 -5.700 4.450 -4.690 1.00 50.00 H new ATOM 0 HD2 PHE A 19 -7.735 5.937 -8.167 1.00 50.00 H new ATOM 0 HE1 PHE A 19 -7.427 5.479 -3.239 1.00 50.00 H new ATOM 0 HE2 PHE A 19 -9.464 6.965 -6.715 1.00 50.00 H new ATOM 0 HZ PHE A 19 -9.308 6.737 -4.250 1.00 50.00 H new ATOM 299 N ALA A 20 -2.202 5.078 -8.608 1.00 50.00 N ATOM 300 CA ALA A 20 -1.424 5.032 -9.879 1.00 50.00 C ATOM 301 C ALA A 20 -1.241 3.586 -10.348 1.00 50.00 C ATOM 302 O ALA A 20 -1.226 3.308 -11.530 1.00 50.00 O ATOM 303 CB ALA A 20 -0.074 5.662 -9.539 1.00 50.00 C ATOM 0 H ALA A 20 -1.650 4.983 -7.756 1.00 50.00 H new ATOM 0 HA ALA A 20 -1.930 5.559 -10.688 1.00 50.00 H new ATOM 0 HB1 ALA A 20 0.559 5.666 -10.426 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -0.226 6.686 -9.197 1.00 50.00 H new ATOM 0 HB3 ALA A 20 0.409 5.084 -8.751 1.00 50.00 H new ATOM 309 N LYS A 21 -1.099 2.661 -9.436 1.00 50.00 N ATOM 310 CA LYS A 21 -0.912 1.240 -9.851 1.00 50.00 C ATOM 311 C LYS A 21 -1.594 0.294 -8.858 1.00 50.00 C ATOM 312 O LYS A 21 -1.974 0.686 -7.772 1.00 50.00 O ATOM 313 CB LYS A 21 0.601 1.024 -9.846 1.00 50.00 C ATOM 314 CG LYS A 21 1.291 2.227 -10.493 1.00 50.00 C ATOM 315 CD LYS A 21 2.679 1.819 -10.987 1.00 50.00 C ATOM 316 CE LYS A 21 3.347 3.015 -11.671 1.00 50.00 C ATOM 317 NZ LYS A 21 3.306 2.700 -13.126 1.00 50.00 N ATOM 0 H LYS A 21 -1.104 2.826 -8.429 1.00 50.00 H new ATOM 0 HA LYS A 21 -1.352 1.037 -10.827 1.00 50.00 H new ATOM 0 HB2 LYS A 21 0.957 0.894 -8.824 1.00 50.00 H new ATOM 0 HB3 LYS A 21 0.851 0.113 -10.389 1.00 50.00 H new ATOM 0 HG2 LYS A 21 0.693 2.598 -11.325 1.00 50.00 H new ATOM 0 HG3 LYS A 21 1.375 3.041 -9.773 1.00 50.00 H new ATOM 0 HD2 LYS A 21 3.289 1.477 -10.151 1.00 50.00 H new ATOM 0 HD3 LYS A 21 2.598 0.985 -11.685 1.00 50.00 H new ATOM 0 HE2 LYS A 21 2.816 3.942 -11.453 1.00 50.00 H new ATOM 0 HE3 LYS A 21 4.372 3.146 -11.324 1.00 50.00 H new ATOM 0 HZ1 LYS A 21 3.747 3.475 -13.662 1.00 50.00 H new ATOM 0 HZ2 LYS A 21 3.825 1.817 -13.305 1.00 50.00 H new ATOM 0 HZ3 LYS A 21 2.318 2.588 -13.429 1.00 50.00 H new ATOM 331 N ASN A 22 -1.745 -0.950 -9.224 1.00 50.00 N ATOM 332 CA ASN A 22 -2.399 -1.927 -8.307 1.00 50.00 C ATOM 333 C ASN A 22 -1.370 -2.496 -7.323 1.00 50.00 C ATOM 334 O ASN A 22 -0.179 -2.355 -7.518 1.00 50.00 O ATOM 335 CB ASN A 22 -2.933 -3.030 -9.222 1.00 50.00 C ATOM 336 CG ASN A 22 -4.458 -3.086 -9.123 1.00 50.00 C ATOM 337 OD1 ASN A 22 -5.036 -4.153 -9.060 1.00 50.00 O ATOM 338 ND2 ASN A 22 -5.141 -1.973 -9.109 1.00 50.00 N ATOM 0 H ASN A 22 -1.443 -1.333 -10.120 1.00 50.00 H new ATOM 0 HA ASN A 22 -3.191 -1.472 -7.712 1.00 50.00 H new ATOM 0 HB2 ASN A 22 -2.632 -2.839 -10.252 1.00 50.00 H new ATOM 0 HB3 ASN A 22 -2.505 -3.991 -8.938 1.00 50.00 H new ATOM 0 HD21 ASN A 22 -6.159 -2.000 -9.045 1.00 50.00 H new ATOM 0 HD22 ASN A 22 -4.657 -1.077 -9.162 1.00 50.00 H new ATOM 345 N PRO A 23 -1.871 -3.120 -6.293 1.00 50.00 N ATOM 346 CA PRO A 23 -0.989 -3.719 -5.260 1.00 50.00 C ATOM 347 C PRO A 23 -0.305 -4.977 -5.804 1.00 50.00 C ATOM 348 O PRO A 23 -0.921 -5.796 -6.458 1.00 50.00 O ATOM 349 CB PRO A 23 -1.951 -4.068 -4.128 1.00 50.00 C ATOM 350 CG PRO A 23 -3.284 -4.229 -4.788 1.00 50.00 C ATOM 351 CD PRO A 23 -3.292 -3.328 -5.995 1.00 50.00 C ATOM 0 HA PRO A 23 -0.187 -3.053 -4.941 1.00 50.00 H new ATOM 0 HB2 PRO A 23 -1.648 -4.984 -3.621 1.00 50.00 H new ATOM 0 HB3 PRO A 23 -1.976 -3.281 -3.375 1.00 50.00 H new ATOM 0 HG2 PRO A 23 -3.446 -5.266 -5.081 1.00 50.00 H new ATOM 0 HG3 PRO A 23 -4.088 -3.962 -4.102 1.00 50.00 H new ATOM 0 HD2 PRO A 23 -3.812 -3.790 -6.834 1.00 50.00 H new ATOM 0 HD3 PRO A 23 -3.798 -2.385 -5.786 1.00 50.00 H new ATOM 359 N ALA A 24 0.964 -5.136 -5.541 1.00 50.00 N ATOM 360 CA ALA A 24 1.684 -6.342 -6.045 1.00 50.00 C ATOM 361 C ALA A 24 2.368 -7.076 -4.888 1.00 50.00 C ATOM 362 O ALA A 24 2.480 -6.563 -3.794 1.00 50.00 O ATOM 363 CB ALA A 24 2.725 -5.799 -7.026 1.00 50.00 C ATOM 0 H ALA A 24 1.533 -4.485 -5.000 1.00 50.00 H new ATOM 0 HA ALA A 24 1.010 -7.057 -6.518 1.00 50.00 H new ATOM 0 HB1 ALA A 24 3.299 -6.627 -7.443 1.00 50.00 H new ATOM 0 HB2 ALA A 24 2.222 -5.265 -7.832 1.00 50.00 H new ATOM 0 HB3 ALA A 24 3.397 -5.118 -6.504 1.00 50.00 H new ATOM 369 N ASP A 25 2.826 -8.277 -5.123 1.00 50.00 N ATOM 370 CA ASP A 25 3.500 -9.044 -4.037 1.00 50.00 C ATOM 371 C ASP A 25 5.014 -9.080 -4.270 1.00 50.00 C ATOM 372 O ASP A 25 5.477 -9.366 -5.356 1.00 50.00 O ATOM 373 CB ASP A 25 2.914 -10.453 -4.121 1.00 50.00 C ATOM 374 CG ASP A 25 3.692 -11.386 -3.191 1.00 50.00 C ATOM 375 OD1 ASP A 25 4.167 -10.913 -2.172 1.00 50.00 O ATOM 376 OD2 ASP A 25 3.802 -12.557 -3.515 1.00 50.00 O ATOM 0 H ASP A 25 2.762 -8.759 -6.020 1.00 50.00 H new ATOM 0 HA ASP A 25 3.340 -8.593 -3.058 1.00 50.00 H new ATOM 0 HB2 ASP A 25 1.861 -10.438 -3.840 1.00 50.00 H new ATOM 0 HB3 ASP A 25 2.965 -10.819 -5.146 1.00 50.00 H new ATOM 381 N THR A 26 5.786 -8.795 -3.258 1.00 50.00 N ATOM 382 CA THR A 26 7.268 -8.816 -3.420 1.00 50.00 C ATOM 383 C THR A 26 7.862 -10.016 -2.679 1.00 50.00 C ATOM 384 O THR A 26 8.941 -10.479 -2.991 1.00 50.00 O ATOM 385 CB THR A 26 7.753 -7.509 -2.793 1.00 50.00 C ATOM 386 OG1 THR A 26 6.924 -7.180 -1.686 1.00 50.00 O ATOM 387 CG2 THR A 26 7.688 -6.389 -3.831 1.00 50.00 C ATOM 0 H THR A 26 5.455 -8.548 -2.325 1.00 50.00 H new ATOM 0 HA THR A 26 7.568 -8.904 -4.464 1.00 50.00 H new ATOM 0 HB THR A 26 8.782 -7.628 -2.454 1.00 50.00 H new ATOM 0 HG1 THR A 26 6.871 -7.947 -1.078 1.00 50.00 H new ATOM 0 HG21 THR A 26 8.034 -5.457 -3.383 1.00 50.00 H new ATOM 0 HG22 THR A 26 8.324 -6.642 -4.679 1.00 50.00 H new ATOM 0 HG23 THR A 26 6.660 -6.268 -4.172 1.00 50.00 H new ATOM 395 N GLY A 27 7.165 -10.524 -1.700 1.00 50.00 N ATOM 396 CA GLY A 27 7.690 -11.693 -0.939 1.00 50.00 C ATOM 397 C GLY A 27 6.520 -12.502 -0.376 1.00 50.00 C ATOM 398 O GLY A 27 5.741 -13.076 -1.109 1.00 50.00 O ATOM 0 H GLY A 27 6.255 -10.180 -1.394 1.00 50.00 H new ATOM 0 HA2 GLY A 27 8.300 -12.320 -1.590 1.00 50.00 H new ATOM 0 HA3 GLY A 27 8.335 -11.353 -0.128 1.00 50.00 H new ATOM 402 N HIS A 28 6.390 -12.552 0.922 1.00 50.00 N ATOM 403 CA HIS A 28 5.269 -13.325 1.528 1.00 50.00 C ATOM 404 C HIS A 28 4.531 -12.469 2.561 1.00 50.00 C ATOM 405 O HIS A 28 4.853 -12.478 3.733 1.00 50.00 O ATOM 406 CB HIS A 28 5.935 -14.524 2.205 1.00 50.00 C ATOM 407 CG HIS A 28 7.108 -14.055 3.022 1.00 50.00 C ATOM 408 ND1 HIS A 28 8.405 -14.083 2.536 1.00 50.00 N ATOM 409 CD2 HIS A 28 7.194 -13.545 4.293 1.00 50.00 C ATOM 410 CE1 HIS A 28 9.210 -13.603 3.500 1.00 50.00 C ATOM 411 NE2 HIS A 28 8.523 -13.260 4.594 1.00 50.00 N ATOM 0 H HIS A 28 7.011 -12.092 1.588 1.00 50.00 H new ATOM 0 HA HIS A 28 4.532 -13.632 0.786 1.00 50.00 H new ATOM 0 HB2 HIS A 28 5.217 -15.039 2.843 1.00 50.00 H new ATOM 0 HB3 HIS A 28 6.266 -15.241 1.454 1.00 50.00 H new ATOM 0 HD2 HIS A 28 6.358 -13.389 4.959 1.00 50.00 H new ATOM 0 HE1 HIS A 28 10.281 -13.506 3.402 1.00 50.00 H new ATOM 0 HE2 HIS A 28 8.893 -12.873 5.462 1.00 50.00 H new ATOM 419 N GLY A 29 3.542 -11.730 2.136 1.00 50.00 N ATOM 420 CA GLY A 29 2.785 -10.877 3.096 1.00 50.00 C ATOM 421 C GLY A 29 3.190 -9.413 2.912 1.00 50.00 C ATOM 422 O GLY A 29 2.915 -8.575 3.746 1.00 50.00 O ATOM 0 H GLY A 29 3.226 -11.680 1.167 1.00 50.00 H new ATOM 0 HA2 GLY A 29 1.713 -10.992 2.933 1.00 50.00 H new ATOM 0 HA3 GLY A 29 2.988 -11.195 4.119 1.00 50.00 H new ATOM 426 N THR A 30 3.841 -9.100 1.825 1.00 50.00 N ATOM 427 CA THR A 30 4.262 -7.688 1.591 1.00 50.00 C ATOM 428 C THR A 30 3.665 -7.169 0.280 1.00 50.00 C ATOM 429 O THR A 30 4.028 -7.607 -0.794 1.00 50.00 O ATOM 430 CB THR A 30 5.788 -7.737 1.501 1.00 50.00 C ATOM 431 OG1 THR A 30 6.169 -8.518 0.377 1.00 50.00 O ATOM 432 CG2 THR A 30 6.358 -8.363 2.775 1.00 50.00 C ATOM 0 H THR A 30 4.099 -9.759 1.090 1.00 50.00 H new ATOM 0 HA THR A 30 3.922 -7.020 2.383 1.00 50.00 H new ATOM 0 HB THR A 30 6.178 -6.725 1.391 1.00 50.00 H new ATOM 0 HG1 THR A 30 5.410 -8.599 -0.237 1.00 50.00 H new ATOM 0 HG21 THR A 30 7.445 -8.397 2.709 1.00 50.00 H new ATOM 0 HG22 THR A 30 6.066 -7.764 3.637 1.00 50.00 H new ATOM 0 HG23 THR A 30 5.970 -9.375 2.888 1.00 50.00 H new ATOM 440 N VAL A 31 2.750 -6.242 0.358 1.00 50.00 N ATOM 441 CA VAL A 31 2.133 -5.700 -0.878 1.00 50.00 C ATOM 442 C VAL A 31 2.691 -4.307 -1.184 1.00 50.00 C ATOM 443 O VAL A 31 3.072 -3.572 -0.296 1.00 50.00 O ATOM 444 CB VAL A 31 0.638 -5.627 -0.577 1.00 50.00 C ATOM 445 CG1 VAL A 31 -0.127 -5.300 -1.859 1.00 50.00 C ATOM 446 CG2 VAL A 31 0.164 -6.975 -0.032 1.00 50.00 C ATOM 0 H VAL A 31 2.404 -5.838 1.228 1.00 50.00 H new ATOM 0 HA VAL A 31 2.342 -6.321 -1.749 1.00 50.00 H new ATOM 0 HB VAL A 31 0.454 -4.848 0.163 1.00 50.00 H new ATOM 0 HG11 VAL A 31 -1.194 -5.248 -1.643 1.00 50.00 H new ATOM 0 HG12 VAL A 31 0.211 -4.340 -2.250 1.00 50.00 H new ATOM 0 HG13 VAL A 31 0.056 -6.078 -2.600 1.00 50.00 H new ATOM 0 HG21 VAL A 31 -0.903 -6.925 0.184 1.00 50.00 H new ATOM 0 HG22 VAL A 31 0.349 -7.752 -0.773 1.00 50.00 H new ATOM 0 HG23 VAL A 31 0.708 -7.209 0.883 1.00 50.00 H new ATOM 456 N VAL A 32 2.743 -3.940 -2.436 1.00 50.00 N ATOM 457 CA VAL A 32 3.277 -2.595 -2.796 1.00 50.00 C ATOM 458 C VAL A 32 2.286 -1.855 -3.699 1.00 50.00 C ATOM 459 O VAL A 32 1.748 -2.410 -4.636 1.00 50.00 O ATOM 460 CB VAL A 32 4.587 -2.859 -3.546 1.00 50.00 C ATOM 461 CG1 VAL A 32 5.772 -2.503 -2.646 1.00 50.00 C ATOM 462 CG2 VAL A 32 4.678 -4.337 -3.943 1.00 50.00 C ATOM 0 H VAL A 32 2.439 -4.512 -3.224 1.00 50.00 H new ATOM 0 HA VAL A 32 3.435 -1.973 -1.915 1.00 50.00 H new ATOM 0 HB VAL A 32 4.610 -2.244 -4.446 1.00 50.00 H new ATOM 0 HG11 VAL A 32 6.704 -2.691 -3.180 1.00 50.00 H new ATOM 0 HG12 VAL A 32 5.717 -1.449 -2.372 1.00 50.00 H new ATOM 0 HG13 VAL A 32 5.741 -3.115 -1.744 1.00 50.00 H new ATOM 0 HG21 VAL A 32 5.613 -4.514 -4.475 1.00 50.00 H new ATOM 0 HG22 VAL A 32 4.648 -4.957 -3.047 1.00 50.00 H new ATOM 0 HG23 VAL A 32 3.838 -4.592 -4.589 1.00 50.00 H new ATOM 472 N ILE A 33 2.046 -0.602 -3.424 1.00 50.00 N ATOM 473 CA ILE A 33 1.098 0.185 -4.264 1.00 50.00 C ATOM 474 C ILE A 33 1.712 1.546 -4.588 1.00 50.00 C ATOM 475 O ILE A 33 2.497 2.077 -3.827 1.00 50.00 O ATOM 476 CB ILE A 33 -0.154 0.350 -3.402 1.00 50.00 C ATOM 477 CG1 ILE A 33 -1.275 0.967 -4.242 1.00 50.00 C ATOM 478 CG2 ILE A 33 0.158 1.268 -2.220 1.00 50.00 C ATOM 479 CD1 ILE A 33 -2.630 0.513 -3.698 1.00 50.00 C ATOM 0 H ILE A 33 2.467 -0.087 -2.651 1.00 50.00 H new ATOM 0 HA ILE A 33 0.871 -0.303 -5.212 1.00 50.00 H new ATOM 0 HB ILE A 33 -0.470 -0.625 -3.032 1.00 50.00 H new ATOM 0 HG12 ILE A 33 -1.207 2.055 -4.216 1.00 50.00 H new ATOM 0 HG13 ILE A 33 -1.170 0.666 -5.284 1.00 50.00 H new ATOM 0 HG21 ILE A 33 -0.734 1.386 -1.605 1.00 50.00 H new ATOM 0 HG22 ILE A 33 0.956 0.831 -1.621 1.00 50.00 H new ATOM 0 HG23 ILE A 33 0.475 2.243 -2.590 1.00 50.00 H new ATOM 0 HD11 ILE A 33 -3.428 0.953 -4.296 1.00 50.00 H new ATOM 0 HD12 ILE A 33 -2.696 -0.574 -3.747 1.00 50.00 H new ATOM 0 HD13 ILE A 33 -2.733 0.836 -2.662 1.00 50.00 H new ATOM 491 N GLU A 34 1.376 2.115 -5.711 1.00 50.00 N ATOM 492 CA GLU A 34 1.962 3.437 -6.068 1.00 50.00 C ATOM 493 C GLU A 34 0.864 4.490 -6.235 1.00 50.00 C ATOM 494 O GLU A 34 0.174 4.528 -7.234 1.00 50.00 O ATOM 495 CB GLU A 34 2.692 3.204 -7.391 1.00 50.00 C ATOM 496 CG GLU A 34 4.100 3.795 -7.307 1.00 50.00 C ATOM 497 CD GLU A 34 5.012 3.092 -8.314 1.00 50.00 C ATOM 498 OE1 GLU A 34 4.822 1.906 -8.526 1.00 50.00 O ATOM 499 OE2 GLU A 34 5.884 3.752 -8.855 1.00 50.00 O ATOM 0 H GLU A 34 0.726 1.726 -6.393 1.00 50.00 H new ATOM 0 HA GLU A 34 2.631 3.809 -5.292 1.00 50.00 H new ATOM 0 HB2 GLU A 34 2.746 2.137 -7.606 1.00 50.00 H new ATOM 0 HB3 GLU A 34 2.140 3.666 -8.210 1.00 50.00 H new ATOM 0 HG2 GLU A 34 4.069 4.865 -7.514 1.00 50.00 H new ATOM 0 HG3 GLU A 34 4.496 3.677 -6.298 1.00 50.00 H new ATOM 506 N LEU A 35 0.704 5.354 -5.268 1.00 50.00 N ATOM 507 CA LEU A 35 -0.342 6.411 -5.380 1.00 50.00 C ATOM 508 C LEU A 35 0.322 7.777 -5.543 1.00 50.00 C ATOM 509 O LEU A 35 1.282 8.089 -4.874 1.00 50.00 O ATOM 510 CB LEU A 35 -1.127 6.353 -4.070 1.00 50.00 C ATOM 511 CG LEU A 35 -1.391 4.896 -3.698 1.00 50.00 C ATOM 512 CD1 LEU A 35 -0.193 4.355 -2.921 1.00 50.00 C ATOM 513 CD2 LEU A 35 -2.647 4.813 -2.827 1.00 50.00 C ATOM 0 H LEU A 35 1.251 5.373 -4.407 1.00 50.00 H new ATOM 0 HA LEU A 35 -0.992 6.257 -6.242 1.00 50.00 H new ATOM 0 HB2 LEU A 35 -0.567 6.846 -3.276 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.070 6.889 -4.175 1.00 50.00 H new ATOM 0 HG LEU A 35 -1.539 4.305 -4.602 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -0.374 3.314 -2.652 1.00 50.00 H new ATOM 0 HD12 LEU A 35 0.702 4.419 -3.541 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -0.050 4.945 -2.015 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -2.837 3.773 -2.561 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -2.500 5.399 -1.920 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -3.500 5.207 -3.380 1.00 50.00 H new ATOM 525 N SER A 36 -0.183 8.599 -6.418 1.00 50.00 N ATOM 526 CA SER A 36 0.425 9.934 -6.611 1.00 50.00 C ATOM 527 C SER A 36 -0.135 10.906 -5.583 1.00 50.00 C ATOM 528 O SER A 36 -1.334 11.078 -5.473 1.00 50.00 O ATOM 529 CB SER A 36 0.027 10.355 -8.025 1.00 50.00 C ATOM 530 OG SER A 36 -0.351 9.203 -8.767 1.00 50.00 O ATOM 0 H SER A 36 -0.992 8.400 -7.007 1.00 50.00 H new ATOM 0 HA SER A 36 1.508 9.921 -6.487 1.00 50.00 H new ATOM 0 HB2 SER A 36 -0.799 11.065 -7.987 1.00 50.00 H new ATOM 0 HB3 SER A 36 0.859 10.861 -8.515 1.00 50.00 H new ATOM 0 HG SER A 36 -0.609 9.468 -9.674 1.00 50.00 H new ATOM 536 N TYR A 37 0.709 11.543 -4.825 1.00 50.00 N ATOM 537 CA TYR A 37 0.188 12.495 -3.815 1.00 50.00 C ATOM 538 C TYR A 37 0.130 13.902 -4.419 1.00 50.00 C ATOM 539 O TYR A 37 1.118 14.607 -4.471 1.00 50.00 O ATOM 540 CB TYR A 37 1.177 12.435 -2.650 1.00 50.00 C ATOM 541 CG TYR A 37 1.075 13.702 -1.833 1.00 50.00 C ATOM 542 CD1 TYR A 37 -0.142 14.054 -1.238 1.00 50.00 C ATOM 543 CD2 TYR A 37 2.196 14.525 -1.673 1.00 50.00 C ATOM 544 CE1 TYR A 37 -0.238 15.228 -0.483 1.00 50.00 C ATOM 545 CE2 TYR A 37 2.100 15.700 -0.919 1.00 50.00 C ATOM 546 CZ TYR A 37 0.883 16.051 -0.323 1.00 50.00 C ATOM 547 OH TYR A 37 0.788 17.210 0.420 1.00 49.57 O ATOM 0 H TYR A 37 1.724 11.447 -4.861 1.00 50.00 H new ATOM 0 HA TYR A 37 -0.821 12.246 -3.485 1.00 50.00 H new ATOM 0 HB2 TYR A 37 0.965 11.568 -2.024 1.00 50.00 H new ATOM 0 HB3 TYR A 37 2.192 12.314 -3.028 1.00 50.00 H new ATOM 0 HD1 TYR A 37 -1.007 13.419 -1.362 1.00 50.00 H new ATOM 0 HD2 TYR A 37 3.135 14.253 -2.132 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -1.177 15.499 -0.024 1.00 50.00 H new ATOM 0 HE2 TYR A 37 2.964 16.336 -0.797 1.00 50.00 H new ATOM 0 HH TYR A 37 1.475 17.208 1.119 1.00 49.57 H new ATOM 557 N SER A 38 -1.019 14.308 -4.882 1.00 50.00 N ATOM 558 CA SER A 38 -1.144 15.655 -5.490 1.00 50.00 C ATOM 559 C SER A 38 -1.635 16.659 -4.449 1.00 50.00 C ATOM 560 O SER A 38 -2.766 17.104 -4.485 1.00 50.00 O ATOM 561 CB SER A 38 -2.171 15.493 -6.609 1.00 50.00 C ATOM 562 OG SER A 38 -2.224 16.689 -7.375 1.00 50.00 O ATOM 0 H SER A 38 -1.879 13.760 -4.864 1.00 50.00 H new ATOM 0 HA SER A 38 -0.192 16.029 -5.866 1.00 50.00 H new ATOM 0 HB2 SER A 38 -1.901 14.651 -7.246 1.00 50.00 H new ATOM 0 HB3 SER A 38 -3.152 15.273 -6.189 1.00 50.00 H new ATOM 0 HG SER A 38 -2.881 16.588 -8.095 1.00 50.00 H new ATOM 568 N GLY A 39 -0.798 17.018 -3.518 1.00 99.99 N ATOM 569 CA GLY A 39 -1.220 17.990 -2.475 1.00 99.99 C ATOM 570 C GLY A 39 -0.237 19.159 -2.437 1.00 99.99 C ATOM 571 O GLY A 39 0.957 18.976 -2.315 1.00 99.99 O ATOM 0 H GLY A 39 0.161 16.680 -3.435 1.00 99.99 H new ATOM 0 HA2 GLY A 39 -2.225 18.354 -2.688 1.00 99.99 H new ATOM 0 HA3 GLY A 39 -1.257 17.501 -1.502 1.00 99.99 H new ATOM 575 N SER A 40 -0.731 20.365 -2.542 1.00 99.99 N ATOM 576 CA SER A 40 0.176 21.548 -2.511 1.00 99.99 C ATOM 577 C SER A 40 0.488 21.937 -1.064 1.00 99.99 C ATOM 578 O SER A 40 0.949 23.028 -0.791 1.00 99.99 O ATOM 579 CB SER A 40 -0.601 22.664 -3.210 1.00 99.99 C ATOM 580 OG SER A 40 0.167 23.160 -4.299 1.00 99.99 O ATOM 0 H SER A 40 -1.722 20.581 -2.648 1.00 99.99 H new ATOM 0 HA SER A 40 1.130 21.349 -3.000 1.00 99.99 H new ATOM 0 HB2 SER A 40 -1.559 22.287 -3.568 1.00 99.99 H new ATOM 0 HB3 SER A 40 -0.817 23.468 -2.507 1.00 99.99 H new ATOM 0 HG SER A 40 -0.329 23.875 -4.750 1.00 99.99 H new ATOM 586 N ASP A 41 0.243 21.055 -0.135 1.00 99.99 N ATOM 587 CA ASP A 41 0.529 21.377 1.292 1.00 99.99 C ATOM 588 C ASP A 41 1.938 20.912 1.665 1.00 99.99 C ATOM 589 O ASP A 41 2.537 21.403 2.600 1.00 99.99 O ATOM 590 CB ASP A 41 -0.522 20.606 2.092 1.00 99.99 C ATOM 591 CG ASP A 41 -1.855 21.354 2.040 1.00 99.99 C ATOM 592 OD1 ASP A 41 -2.115 21.993 1.033 1.00 99.99 O ATOM 593 OD2 ASP A 41 -2.593 21.277 3.007 1.00 99.99 O ATOM 0 H ASP A 41 -0.143 20.126 -0.302 1.00 99.99 H new ATOM 0 HA ASP A 41 0.485 22.448 1.491 1.00 99.99 H new ATOM 0 HB2 ASP A 41 -0.640 19.602 1.684 1.00 99.99 H new ATOM 0 HB3 ASP A 41 -0.196 20.493 3.126 1.00 99.99 H new ATOM 598 N GLY A 42 2.474 19.969 0.937 1.00 99.99 N ATOM 599 CA GLY A 42 3.846 19.477 1.250 1.00 99.99 C ATOM 600 C GLY A 42 3.769 18.048 1.790 1.00 99.99 C ATOM 601 O GLY A 42 2.769 17.377 1.632 1.00 99.99 O ATOM 0 H GLY A 42 2.022 19.519 0.141 1.00 99.99 H new ATOM 0 HA2 GLY A 42 4.466 19.505 0.354 1.00 99.99 H new ATOM 0 HA3 GLY A 42 4.318 20.129 1.985 1.00 99.99 H new ATOM 605 N PRO A 43 4.838 17.629 2.412 1.00 99.99 N ATOM 606 CA PRO A 43 4.900 16.263 2.983 1.00 99.99 C ATOM 607 C PRO A 43 4.038 16.172 4.245 1.00 99.99 C ATOM 608 O PRO A 43 3.849 17.140 4.954 1.00 99.99 O ATOM 609 CB PRO A 43 6.378 16.076 3.309 1.00 99.99 C ATOM 610 CG PRO A 43 6.918 17.458 3.488 1.00 99.99 C ATOM 611 CD PRO A 43 6.077 18.381 2.640 1.00 99.99 C ATOM 0 HA PRO A 43 4.522 15.496 2.306 1.00 99.99 H new ATOM 0 HB2 PRO A 43 6.510 15.482 4.213 1.00 99.99 H new ATOM 0 HB3 PRO A 43 6.895 15.552 2.505 1.00 99.99 H new ATOM 0 HG2 PRO A 43 6.876 17.754 4.536 1.00 99.99 H new ATOM 0 HG3 PRO A 43 7.964 17.504 3.185 1.00 99.99 H new ATOM 0 HD2 PRO A 43 5.882 19.324 3.150 1.00 99.99 H new ATOM 0 HD3 PRO A 43 6.575 18.623 1.701 1.00 99.99 H new ATOM 619 N CYS A 44 3.506 15.014 4.523 1.00 50.00 N ATOM 620 CA CYS A 44 2.646 14.852 5.730 1.00 50.00 C ATOM 621 C CYS A 44 2.344 13.368 5.958 1.00 50.00 C ATOM 622 O CYS A 44 2.481 12.556 5.065 1.00 50.00 O ATOM 623 CB CYS A 44 1.359 15.602 5.395 1.00 50.00 C ATOM 624 SG CYS A 44 1.080 16.932 6.592 1.00 50.00 S ATOM 0 H CYS A 44 3.630 14.170 3.964 1.00 50.00 H new ATOM 0 HA CYS A 44 3.122 15.231 6.634 1.00 50.00 H new ATOM 0 HB2 CYS A 44 1.422 16.016 4.389 1.00 50.00 H new ATOM 0 HB3 CYS A 44 0.515 14.912 5.403 1.00 50.00 H new ATOM 629 N LYS A 45 1.923 13.006 7.138 1.00 50.00 N ATOM 630 CA LYS A 45 1.601 11.573 7.401 1.00 50.00 C ATOM 631 C LYS A 45 0.345 11.181 6.614 1.00 50.00 C ATOM 632 O LYS A 45 -0.721 11.723 6.824 1.00 50.00 O ATOM 633 CB LYS A 45 1.340 11.488 8.906 1.00 50.00 C ATOM 634 CG LYS A 45 2.506 12.117 9.672 1.00 50.00 C ATOM 635 CD LYS A 45 3.733 11.210 9.571 1.00 50.00 C ATOM 636 CE LYS A 45 4.952 12.045 9.170 1.00 50.00 C ATOM 637 NZ LYS A 45 6.124 11.168 9.443 1.00 50.00 N ATOM 0 H LYS A 45 1.788 13.636 7.929 1.00 50.00 H new ATOM 0 HA LYS A 45 2.403 10.901 7.096 1.00 50.00 H new ATOM 0 HB2 LYS A 45 0.411 12.003 9.153 1.00 50.00 H new ATOM 0 HB3 LYS A 45 1.217 10.447 9.204 1.00 50.00 H new ATOM 0 HG2 LYS A 45 2.734 13.102 9.264 1.00 50.00 H new ATOM 0 HG3 LYS A 45 2.232 12.261 10.717 1.00 50.00 H new ATOM 0 HD2 LYS A 45 3.914 10.718 10.526 1.00 50.00 H new ATOM 0 HD3 LYS A 45 3.559 10.425 8.836 1.00 50.00 H new ATOM 0 HE2 LYS A 45 4.908 12.329 8.119 1.00 50.00 H new ATOM 0 HE3 LYS A 45 5.006 12.968 9.748 1.00 50.00 H new ATOM 0 HZ1 LYS A 45 6.999 11.671 9.193 1.00 50.00 H new ATOM 0 HZ2 LYS A 45 6.144 10.919 10.453 1.00 50.00 H new ATOM 0 HZ3 LYS A 45 6.048 10.301 8.874 1.00 50.00 H new ATOM 651 N ILE A 46 0.461 10.252 5.702 1.00 50.00 N ATOM 652 CA ILE A 46 -0.734 9.846 4.904 1.00 50.00 C ATOM 653 C ILE A 46 -1.714 9.056 5.776 1.00 50.00 C ATOM 654 O ILE A 46 -1.422 7.957 6.201 1.00 50.00 O ATOM 655 CB ILE A 46 -0.200 8.966 3.768 1.00 50.00 C ATOM 656 CG1 ILE A 46 1.120 9.529 3.228 1.00 50.00 C ATOM 657 CG2 ILE A 46 -1.227 8.931 2.634 1.00 50.00 C ATOM 658 CD1 ILE A 46 0.989 11.037 2.997 1.00 50.00 C ATOM 0 H ILE A 46 1.325 9.759 5.476 1.00 50.00 H new ATOM 0 HA ILE A 46 -1.273 10.712 4.520 1.00 50.00 H new ATOM 0 HB ILE A 46 -0.027 7.961 4.153 1.00 50.00 H new ATOM 0 HG12 ILE A 46 1.926 9.329 3.934 1.00 50.00 H new ATOM 0 HG13 ILE A 46 1.383 9.031 2.295 1.00 50.00 H new ATOM 0 HG21 ILE A 46 -0.852 8.306 1.823 1.00 50.00 H new ATOM 0 HG22 ILE A 46 -2.165 8.519 3.006 1.00 50.00 H new ATOM 0 HG23 ILE A 46 -1.396 9.943 2.265 1.00 50.00 H new ATOM 0 HD11 ILE A 46 1.931 11.429 2.613 1.00 50.00 H new ATOM 0 HD12 ILE A 46 0.196 11.227 2.274 1.00 50.00 H new ATOM 0 HD13 ILE A 46 0.747 11.530 3.939 1.00 50.00 H new ATOM 670 N PRO A 47 -2.853 9.653 6.011 1.00 50.00 N ATOM 671 CA PRO A 47 -3.897 9.005 6.837 1.00 50.00 C ATOM 672 C PRO A 47 -4.676 7.987 6.000 1.00 50.00 C ATOM 673 O PRO A 47 -5.649 8.317 5.353 1.00 50.00 O ATOM 674 CB PRO A 47 -4.797 10.167 7.245 1.00 50.00 C ATOM 675 CG PRO A 47 -4.611 11.208 6.182 1.00 50.00 C ATOM 676 CD PRO A 47 -3.268 10.974 5.533 1.00 50.00 C ATOM 0 HA PRO A 47 -3.495 8.460 7.691 1.00 50.00 H new ATOM 0 HB2 PRO A 47 -5.839 9.853 7.309 1.00 50.00 H new ATOM 0 HB3 PRO A 47 -4.519 10.553 8.226 1.00 50.00 H new ATOM 0 HG2 PRO A 47 -5.409 11.144 5.442 1.00 50.00 H new ATOM 0 HG3 PRO A 47 -4.657 12.207 6.615 1.00 50.00 H new ATOM 0 HD2 PRO A 47 -3.344 10.997 4.446 1.00 50.00 H new ATOM 0 HD3 PRO A 47 -2.550 11.743 5.819 1.00 50.00 H new ATOM 684 N ILE A 48 -4.254 6.751 6.002 1.00 50.00 N ATOM 685 CA ILE A 48 -4.974 5.722 5.199 1.00 50.00 C ATOM 686 C ILE A 48 -5.214 4.461 6.033 1.00 50.00 C ATOM 687 O ILE A 48 -4.445 4.128 6.910 1.00 50.00 O ATOM 688 CB ILE A 48 -4.043 5.414 4.027 1.00 50.00 C ATOM 689 CG1 ILE A 48 -3.877 6.665 3.162 1.00 50.00 C ATOM 690 CG2 ILE A 48 -4.642 4.288 3.181 1.00 50.00 C ATOM 691 CD1 ILE A 48 -2.612 6.533 2.311 1.00 50.00 C ATOM 0 H ILE A 48 -3.445 6.411 6.523 1.00 50.00 H new ATOM 0 HA ILE A 48 -5.952 6.072 4.868 1.00 50.00 H new ATOM 0 HB ILE A 48 -3.070 5.105 4.410 1.00 50.00 H new ATOM 0 HG12 ILE A 48 -4.748 6.794 2.520 1.00 50.00 H new ATOM 0 HG13 ILE A 48 -3.812 7.551 3.794 1.00 50.00 H new ATOM 0 HG21 ILE A 48 -3.978 4.068 2.345 1.00 50.00 H new ATOM 0 HG22 ILE A 48 -4.760 3.395 3.795 1.00 50.00 H new ATOM 0 HG23 ILE A 48 -5.615 4.598 2.800 1.00 50.00 H new ATOM 0 HD11 ILE A 48 -2.494 7.424 1.695 1.00 50.00 H new ATOM 0 HD12 ILE A 48 -1.745 6.424 2.962 1.00 50.00 H new ATOM 0 HD13 ILE A 48 -2.695 5.656 1.669 1.00 50.00 H new ATOM 703 N VAL A 49 -6.275 3.754 5.755 1.00 50.00 N ATOM 704 CA VAL A 49 -6.566 2.509 6.521 1.00 50.00 C ATOM 705 C VAL A 49 -6.706 1.330 5.554 1.00 50.00 C ATOM 706 O VAL A 49 -6.947 1.509 4.377 1.00 50.00 O ATOM 707 CB VAL A 49 -7.889 2.780 7.235 1.00 50.00 C ATOM 708 CG1 VAL A 49 -7.745 4.015 8.126 1.00 50.00 C ATOM 709 CG2 VAL A 49 -8.986 3.028 6.197 1.00 50.00 C ATOM 0 H VAL A 49 -6.954 3.985 5.030 1.00 50.00 H new ATOM 0 HA VAL A 49 -5.774 2.257 7.226 1.00 50.00 H new ATOM 0 HB VAL A 49 -8.154 1.918 7.848 1.00 50.00 H new ATOM 0 HG11 VAL A 49 -8.689 4.208 8.635 1.00 50.00 H new ATOM 0 HG12 VAL A 49 -6.963 3.841 8.865 1.00 50.00 H new ATOM 0 HG13 VAL A 49 -7.480 4.877 7.513 1.00 50.00 H new ATOM 0 HG21 VAL A 49 -9.931 3.222 6.705 1.00 50.00 H new ATOM 0 HG22 VAL A 49 -8.720 3.890 5.585 1.00 50.00 H new ATOM 0 HG23 VAL A 49 -9.090 2.149 5.560 1.00 50.00 H new ATOM 719 N SER A 50 -6.557 0.129 6.038 1.00 50.00 N ATOM 720 CA SER A 50 -6.683 -1.052 5.139 1.00 50.00 C ATOM 721 C SER A 50 -7.544 -2.126 5.802 1.00 50.00 C ATOM 722 O SER A 50 -7.128 -2.779 6.738 1.00 50.00 O ATOM 723 CB SER A 50 -5.253 -1.555 4.941 1.00 50.00 C ATOM 724 OG SER A 50 -4.902 -1.444 3.568 1.00 50.00 O ATOM 0 H SER A 50 -6.354 -0.086 7.014 1.00 50.00 H new ATOM 0 HA SER A 50 -7.160 -0.802 4.191 1.00 50.00 H new ATOM 0 HB2 SER A 50 -4.563 -0.974 5.553 1.00 50.00 H new ATOM 0 HB3 SER A 50 -5.172 -2.592 5.266 1.00 50.00 H new ATOM 0 HG SER A 50 -3.926 -1.426 3.480 1.00 50.00 H new ATOM 730 N VAL A 51 -8.743 -2.312 5.327 1.00 50.00 N ATOM 731 CA VAL A 51 -9.629 -3.343 5.932 1.00 50.00 C ATOM 732 C VAL A 51 -10.118 -4.315 4.858 1.00 50.00 C ATOM 733 O VAL A 51 -10.154 -3.996 3.687 1.00 50.00 O ATOM 734 CB VAL A 51 -10.802 -2.560 6.521 1.00 50.00 C ATOM 735 CG1 VAL A 51 -10.307 -1.686 7.674 1.00 50.00 C ATOM 736 CG2 VAL A 51 -11.416 -1.673 5.437 1.00 50.00 C ATOM 0 H VAL A 51 -9.147 -1.795 4.546 1.00 50.00 H new ATOM 0 HA VAL A 51 -9.115 -3.938 6.688 1.00 50.00 H new ATOM 0 HB VAL A 51 -11.554 -3.257 6.892 1.00 50.00 H new ATOM 0 HG11 VAL A 51 -11.144 -1.128 8.093 1.00 50.00 H new ATOM 0 HG12 VAL A 51 -9.868 -2.317 8.447 1.00 50.00 H new ATOM 0 HG13 VAL A 51 -9.555 -0.989 7.305 1.00 50.00 H new ATOM 0 HG21 VAL A 51 -12.253 -1.114 5.855 1.00 50.00 H new ATOM 0 HG22 VAL A 51 -10.663 -0.977 5.067 1.00 50.00 H new ATOM 0 HG23 VAL A 51 -11.770 -2.295 4.615 1.00 50.00 H new ATOM 746 N ALA A 52 -10.496 -5.498 5.250 1.00 50.00 N ATOM 747 CA ALA A 52 -10.987 -6.493 4.254 1.00 50.00 C ATOM 748 C ALA A 52 -12.154 -5.905 3.458 1.00 50.00 C ATOM 749 O ALA A 52 -12.743 -4.914 3.842 1.00 50.00 O ATOM 750 CB ALA A 52 -11.453 -7.690 5.084 1.00 50.00 C ATOM 0 H ALA A 52 -10.487 -5.821 6.218 1.00 50.00 H new ATOM 0 HA ALA A 52 -10.218 -6.773 3.534 1.00 50.00 H new ATOM 0 HB1 ALA A 52 -11.830 -8.468 4.420 1.00 50.00 H new ATOM 0 HB2 ALA A 52 -10.615 -8.080 5.662 1.00 50.00 H new ATOM 0 HB3 ALA A 52 -12.246 -7.376 5.762 1.00 50.00 H new ATOM 756 N SER A 53 -12.485 -6.499 2.346 1.00 50.00 N ATOM 757 CA SER A 53 -13.608 -5.965 1.523 1.00 50.00 C ATOM 758 C SER A 53 -14.910 -5.955 2.328 1.00 50.00 C ATOM 759 O SER A 53 -15.370 -6.977 2.794 1.00 50.00 O ATOM 760 CB SER A 53 -13.721 -6.922 0.339 1.00 50.00 C ATOM 761 OG SER A 53 -13.401 -6.227 -0.859 1.00 50.00 O ATOM 0 H SER A 53 -12.028 -7.330 1.971 1.00 50.00 H new ATOM 0 HA SER A 53 -13.428 -4.938 1.206 1.00 50.00 H new ATOM 0 HB2 SER A 53 -13.046 -7.767 0.474 1.00 50.00 H new ATOM 0 HB3 SER A 53 -14.731 -7.327 0.279 1.00 50.00 H new ATOM 0 HG SER A 53 -13.739 -5.309 -0.804 1.00 50.00 H new ATOM 767 N LEU A 54 -15.507 -4.800 2.486 1.00 50.00 N ATOM 768 CA LEU A 54 -16.788 -4.720 3.253 1.00 50.00 C ATOM 769 C LEU A 54 -16.527 -4.759 4.762 1.00 50.00 C ATOM 770 O LEU A 54 -17.344 -5.226 5.530 1.00 50.00 O ATOM 771 CB LEU A 54 -17.612 -5.932 2.814 1.00 50.00 C ATOM 772 CG LEU A 54 -19.030 -5.480 2.463 1.00 50.00 C ATOM 773 CD1 LEU A 54 -19.635 -4.730 3.651 1.00 50.00 C ATOM 774 CD2 LEU A 54 -18.978 -4.551 1.248 1.00 50.00 C ATOM 0 H LEU A 54 -15.164 -3.912 2.119 1.00 50.00 H new ATOM 0 HA LEU A 54 -17.312 -3.785 3.054 1.00 50.00 H new ATOM 0 HB2 LEU A 54 -17.146 -6.409 1.952 1.00 50.00 H new ATOM 0 HB3 LEU A 54 -17.642 -6.674 3.612 1.00 50.00 H new ATOM 0 HG LEU A 54 -19.644 -6.350 2.233 1.00 50.00 H new ATOM 0 HD11 LEU A 54 -20.646 -4.408 3.401 1.00 50.00 H new ATOM 0 HD12 LEU A 54 -19.668 -5.389 4.519 1.00 50.00 H new ATOM 0 HD13 LEU A 54 -19.023 -3.858 3.881 1.00 50.00 H new ATOM 0 HD21 LEU A 54 -19.987 -4.227 0.995 1.00 50.00 H new ATOM 0 HD22 LEU A 54 -18.365 -3.681 1.482 1.00 50.00 H new ATOM 0 HD23 LEU A 54 -18.545 -5.083 0.401 1.00 50.00 H new ATOM 786 N ASN A 55 -15.404 -4.255 5.194 1.00 50.00 N ATOM 787 CA ASN A 55 -15.106 -4.247 6.656 1.00 50.00 C ATOM 788 C ASN A 55 -14.716 -2.836 7.105 1.00 50.00 C ATOM 789 O ASN A 55 -13.551 -2.502 7.188 1.00 50.00 O ATOM 790 CB ASN A 55 -13.931 -5.209 6.828 1.00 50.00 C ATOM 791 CG ASN A 55 -14.364 -6.622 6.431 1.00 50.00 C ATOM 792 OD1 ASN A 55 -14.064 -7.079 5.346 1.00 50.00 O ATOM 793 ND2 ASN A 55 -15.062 -7.337 7.271 1.00 50.00 N ATOM 0 H ASN A 55 -14.681 -3.849 4.600 1.00 50.00 H new ATOM 0 HA ASN A 55 -15.966 -4.546 7.255 1.00 50.00 H new ATOM 0 HB2 ASN A 55 -13.091 -4.888 6.211 1.00 50.00 H new ATOM 0 HB3 ASN A 55 -13.588 -5.200 7.863 1.00 50.00 H new ATOM 0 HD21 ASN A 55 -15.356 -8.280 7.017 1.00 50.00 H new ATOM 0 HD22 ASN A 55 -15.313 -6.953 8.182 1.00 50.00 H new ATOM 800 N ASP A 56 -15.680 -2.007 7.398 1.00 50.00 N ATOM 801 CA ASP A 56 -15.363 -0.621 7.845 1.00 50.00 C ATOM 802 C ASP A 56 -15.620 -0.478 9.348 1.00 50.00 C ATOM 803 O ASP A 56 -15.596 0.608 9.891 1.00 50.00 O ATOM 804 CB ASP A 56 -16.307 0.281 7.049 1.00 50.00 C ATOM 805 CG ASP A 56 -15.502 1.387 6.367 1.00 50.00 C ATOM 806 OD1 ASP A 56 -14.882 1.104 5.355 1.00 50.00 O ATOM 807 OD2 ASP A 56 -15.518 2.499 6.868 1.00 50.00 O ATOM 0 H ASP A 56 -16.674 -2.230 7.347 1.00 50.00 H new ATOM 0 HA ASP A 56 -14.318 -0.363 7.676 1.00 50.00 H new ATOM 0 HB2 ASP A 56 -16.844 -0.305 6.303 1.00 50.00 H new ATOM 0 HB3 ASP A 56 -17.055 0.717 7.711 1.00 50.00 H new ATOM 812 N MET A 57 -15.868 -1.567 10.021 1.00 50.00 N ATOM 813 CA MET A 57 -16.129 -1.493 11.487 1.00 50.00 C ATOM 814 C MET A 57 -15.006 -2.190 12.257 1.00 50.00 C ATOM 815 O MET A 57 -14.854 -2.017 13.450 1.00 50.00 O ATOM 816 CB MET A 57 -17.455 -2.228 11.690 1.00 50.00 C ATOM 817 CG MET A 57 -18.479 -1.720 10.673 1.00 50.00 C ATOM 818 SD MET A 57 -20.128 -2.309 11.134 1.00 50.00 S ATOM 819 CE MET A 57 -21.075 -1.033 10.266 1.00 50.00 C ATOM 0 H MET A 57 -15.901 -2.504 9.620 1.00 50.00 H new ATOM 0 HA MET A 57 -16.173 -0.466 11.849 1.00 50.00 H new ATOM 0 HB2 MET A 57 -17.310 -3.302 11.571 1.00 50.00 H new ATOM 0 HB3 MET A 57 -17.822 -2.066 12.704 1.00 50.00 H new ATOM 0 HG2 MET A 57 -18.466 -0.631 10.640 1.00 50.00 H new ATOM 0 HG3 MET A 57 -18.221 -2.072 9.674 1.00 50.00 H new ATOM 0 HE1 MET A 57 -22.141 -1.205 10.417 1.00 50.00 H new ATOM 0 HE2 MET A 57 -20.806 -0.052 10.657 1.00 50.00 H new ATOM 0 HE3 MET A 57 -20.849 -1.074 9.201 1.00 50.00 H new ATOM 829 N THR A 58 -14.217 -2.977 11.580 1.00 50.00 N ATOM 830 CA THR A 58 -13.101 -3.687 12.267 1.00 50.00 C ATOM 831 C THR A 58 -11.826 -3.613 11.422 1.00 50.00 C ATOM 832 O THR A 58 -11.804 -4.065 10.294 1.00 50.00 O ATOM 833 CB THR A 58 -13.569 -5.138 12.396 1.00 50.00 C ATOM 834 OG1 THR A 58 -14.517 -5.419 11.375 1.00 50.00 O ATOM 835 CG2 THR A 58 -14.214 -5.350 13.766 1.00 50.00 C ATOM 0 H THR A 58 -14.297 -3.160 10.580 1.00 50.00 H new ATOM 0 HA THR A 58 -12.869 -3.245 13.236 1.00 50.00 H new ATOM 0 HB THR A 58 -12.714 -5.806 12.294 1.00 50.00 H new ATOM 0 HG1 THR A 58 -14.817 -6.349 11.454 1.00 50.00 H new ATOM 0 HG21 THR A 58 -14.547 -6.384 13.855 1.00 50.00 H new ATOM 0 HG22 THR A 58 -13.486 -5.134 14.548 1.00 50.00 H new ATOM 0 HG23 THR A 58 -15.070 -4.683 13.872 1.00 50.00 H new ATOM 843 N PRO A 59 -10.803 -3.047 12.001 1.00 50.00 N ATOM 844 CA PRO A 59 -9.506 -2.917 11.295 1.00 50.00 C ATOM 845 C PRO A 59 -8.815 -4.282 11.204 1.00 50.00 C ATOM 846 O PRO A 59 -8.740 -5.014 12.172 1.00 50.00 O ATOM 847 CB PRO A 59 -8.710 -1.962 12.180 1.00 50.00 C ATOM 848 CG PRO A 59 -9.308 -2.109 13.543 1.00 50.00 C ATOM 849 CD PRO A 59 -10.756 -2.482 13.353 1.00 50.00 C ATOM 0 HA PRO A 59 -9.606 -2.555 10.272 1.00 50.00 H new ATOM 0 HB2 PRO A 59 -7.651 -2.218 12.184 1.00 50.00 H new ATOM 0 HB3 PRO A 59 -8.788 -0.935 11.823 1.00 50.00 H new ATOM 0 HG2 PRO A 59 -8.784 -2.876 14.113 1.00 50.00 H new ATOM 0 HG3 PRO A 59 -9.220 -1.179 14.105 1.00 50.00 H new ATOM 0 HD2 PRO A 59 -11.083 -3.206 14.100 1.00 50.00 H new ATOM 0 HD3 PRO A 59 -11.407 -1.613 13.445 1.00 50.00 H new ATOM 857 N VAL A 60 -8.313 -4.631 10.052 1.00 50.00 N ATOM 858 CA VAL A 60 -7.629 -5.951 9.911 1.00 50.00 C ATOM 859 C VAL A 60 -6.418 -5.828 8.989 1.00 50.00 C ATOM 860 O VAL A 60 -5.427 -6.512 9.151 1.00 50.00 O ATOM 861 CB VAL A 60 -8.678 -6.884 9.306 1.00 50.00 C ATOM 862 CG1 VAL A 60 -9.822 -7.080 10.302 1.00 50.00 C ATOM 863 CG2 VAL A 60 -9.224 -6.268 8.018 1.00 50.00 C ATOM 0 H VAL A 60 -8.345 -4.064 9.205 1.00 50.00 H new ATOM 0 HA VAL A 60 -7.259 -6.325 10.866 1.00 50.00 H new ATOM 0 HB VAL A 60 -8.221 -7.848 9.083 1.00 50.00 H new ATOM 0 HG11 VAL A 60 -10.570 -7.745 9.871 1.00 50.00 H new ATOM 0 HG12 VAL A 60 -9.433 -7.519 11.221 1.00 50.00 H new ATOM 0 HG13 VAL A 60 -10.279 -6.116 10.525 1.00 50.00 H new ATOM 0 HG21 VAL A 60 -9.972 -6.932 7.586 1.00 50.00 H new ATOM 0 HG22 VAL A 60 -9.681 -5.304 8.241 1.00 50.00 H new ATOM 0 HG23 VAL A 60 -8.409 -6.128 7.308 1.00 50.00 H new ATOM 873 N GLY A 61 -6.484 -4.950 8.032 1.00 50.00 N ATOM 874 CA GLY A 61 -5.332 -4.771 7.108 1.00 50.00 C ATOM 875 C GLY A 61 -4.200 -4.087 7.875 1.00 50.00 C ATOM 876 O GLY A 61 -4.437 -3.266 8.739 1.00 50.00 O ATOM 0 H GLY A 61 -7.286 -4.347 7.849 1.00 50.00 H new ATOM 0 HA2 GLY A 61 -5.001 -5.736 6.723 1.00 50.00 H new ATOM 0 HA3 GLY A 61 -5.625 -4.169 6.248 1.00 50.00 H new ATOM 880 N ARG A 62 -2.972 -4.425 7.592 1.00 50.00 N ATOM 881 CA ARG A 62 -1.845 -3.795 8.339 1.00 50.00 C ATOM 882 C ARG A 62 -0.865 -3.121 7.380 1.00 50.00 C ATOM 883 O ARG A 62 -0.787 -3.458 6.218 1.00 50.00 O ATOM 884 CB ARG A 62 -1.166 -4.952 9.072 1.00 50.00 C ATOM 885 CG ARG A 62 -2.219 -5.756 9.839 1.00 50.00 C ATOM 886 CD ARG A 62 -1.602 -6.305 11.129 1.00 50.00 C ATOM 887 NE ARG A 62 -1.455 -5.121 12.019 1.00 50.00 N ATOM 888 CZ ARG A 62 -1.347 -5.283 13.309 1.00 50.00 C ATOM 889 NH1 ARG A 62 -0.332 -5.939 13.802 1.00 50.00 N ATOM 890 NH2 ARG A 62 -2.254 -4.787 14.107 1.00 50.00 N ATOM 0 H ARG A 62 -2.701 -5.105 6.882 1.00 50.00 H new ATOM 0 HA ARG A 62 -2.192 -3.019 9.021 1.00 50.00 H new ATOM 0 HB2 ARG A 62 -0.649 -5.595 8.360 1.00 50.00 H new ATOM 0 HB3 ARG A 62 -0.413 -4.569 9.760 1.00 50.00 H new ATOM 0 HG2 ARG A 62 -3.075 -5.124 10.073 1.00 50.00 H new ATOM 0 HG3 ARG A 62 -2.587 -6.576 9.222 1.00 50.00 H new ATOM 0 HD2 ARG A 62 -2.242 -7.062 11.582 1.00 50.00 H new ATOM 0 HD3 ARG A 62 -0.638 -6.776 10.936 1.00 50.00 H new ATOM 0 HE ARG A 62 -1.439 -4.182 11.620 1.00 50.00 H new ATOM 0 HH11 ARG A 62 0.377 -6.325 13.179 1.00 50.00 H new ATOM 0 HH12 ARG A 62 -0.248 -6.065 14.811 1.00 50.00 H new ATOM 0 HH21 ARG A 62 -3.046 -4.273 13.722 1.00 50.00 H new ATOM 0 HH22 ARG A 62 -2.170 -4.913 15.116 1.00 50.00 H new ATOM 904 N LEU A 63 -0.115 -2.169 7.861 1.00 50.00 N ATOM 905 CA LEU A 63 0.868 -1.476 6.981 1.00 50.00 C ATOM 906 C LEU A 63 2.255 -2.099 7.159 1.00 50.00 C ATOM 907 O LEU A 63 2.769 -2.186 8.257 1.00 50.00 O ATOM 908 CB LEU A 63 0.864 -0.021 7.452 1.00 50.00 C ATOM 909 CG LEU A 63 0.040 0.828 6.482 1.00 50.00 C ATOM 910 CD1 LEU A 63 -0.894 1.747 7.272 1.00 50.00 C ATOM 911 CD2 LEU A 63 0.983 1.677 5.625 1.00 50.00 C ATOM 0 H LEU A 63 -0.140 -1.840 8.826 1.00 50.00 H new ATOM 0 HA LEU A 63 0.614 -1.559 5.924 1.00 50.00 H new ATOM 0 HB2 LEU A 63 0.445 0.046 8.456 1.00 50.00 H new ATOM 0 HB3 LEU A 63 1.885 0.357 7.506 1.00 50.00 H new ATOM 0 HG LEU A 63 -0.551 0.175 5.840 1.00 50.00 H new ATOM 0 HD11 LEU A 63 -1.481 2.351 6.580 1.00 50.00 H new ATOM 0 HD12 LEU A 63 -1.564 1.145 7.885 1.00 50.00 H new ATOM 0 HD13 LEU A 63 -0.304 2.401 7.914 1.00 50.00 H new ATOM 0 HD21 LEU A 63 0.399 2.283 4.933 1.00 50.00 H new ATOM 0 HD22 LEU A 63 1.573 2.329 6.270 1.00 50.00 H new ATOM 0 HD23 LEU A 63 1.650 1.024 5.062 1.00 50.00 H new ATOM 923 N VAL A 64 2.864 -2.538 6.091 1.00 50.00 N ATOM 924 CA VAL A 64 4.213 -3.160 6.204 1.00 50.00 C ATOM 925 C VAL A 64 5.151 -2.250 7.002 1.00 50.00 C ATOM 926 O VAL A 64 6.143 -2.689 7.546 1.00 50.00 O ATOM 927 CB VAL A 64 4.702 -3.309 4.762 1.00 50.00 C ATOM 928 CG1 VAL A 64 6.218 -3.518 4.756 1.00 50.00 C ATOM 929 CG2 VAL A 64 4.020 -4.516 4.115 1.00 50.00 C ATOM 0 H VAL A 64 2.485 -2.493 5.145 1.00 50.00 H new ATOM 0 HA VAL A 64 4.185 -4.117 6.725 1.00 50.00 H new ATOM 0 HB VAL A 64 4.457 -2.407 4.201 1.00 50.00 H new ATOM 0 HG11 VAL A 64 6.567 -3.624 3.729 1.00 50.00 H new ATOM 0 HG12 VAL A 64 6.705 -2.659 5.218 1.00 50.00 H new ATOM 0 HG13 VAL A 64 6.463 -4.420 5.317 1.00 50.00 H new ATOM 0 HG21 VAL A 64 4.368 -4.623 3.088 1.00 50.00 H new ATOM 0 HG22 VAL A 64 4.266 -5.417 4.677 1.00 50.00 H new ATOM 0 HG23 VAL A 64 2.940 -4.369 4.119 1.00 50.00 H new ATOM 939 N THR A 65 4.841 -0.984 7.077 1.00 50.00 N ATOM 940 CA THR A 65 5.716 -0.050 7.840 1.00 50.00 C ATOM 941 C THR A 65 4.863 0.892 8.696 1.00 50.00 C ATOM 942 O THR A 65 3.655 0.938 8.569 1.00 50.00 O ATOM 943 CB THR A 65 6.482 0.735 6.773 1.00 50.00 C ATOM 944 OG1 THR A 65 7.602 1.374 7.371 1.00 50.00 O ATOM 945 CG2 THR A 65 5.564 1.788 6.149 1.00 50.00 C ATOM 0 H THR A 65 4.022 -0.557 6.644 1.00 50.00 H new ATOM 0 HA THR A 65 6.388 -0.573 8.520 1.00 50.00 H new ATOM 0 HB THR A 65 6.824 0.051 5.996 1.00 50.00 H new ATOM 0 HG1 THR A 65 8.095 1.876 6.689 1.00 50.00 H new ATOM 0 HG21 THR A 65 6.113 2.345 5.390 1.00 50.00 H new ATOM 0 HG22 THR A 65 4.706 1.297 5.690 1.00 50.00 H new ATOM 0 HG23 THR A 65 5.218 2.473 6.923 1.00 50.00 H new ATOM 953 N VAL A 66 5.481 1.645 9.563 1.00 50.00 N ATOM 954 CA VAL A 66 4.711 2.582 10.422 1.00 50.00 C ATOM 955 C VAL A 66 3.802 3.462 9.560 1.00 50.00 C ATOM 956 O VAL A 66 3.672 3.256 8.369 1.00 50.00 O ATOM 957 CB VAL A 66 5.777 3.425 11.116 1.00 50.00 C ATOM 958 CG1 VAL A 66 6.624 2.534 12.026 1.00 50.00 C ATOM 959 CG2 VAL A 66 6.675 4.076 10.062 1.00 50.00 C ATOM 0 H VAL A 66 6.490 1.650 9.713 1.00 50.00 H new ATOM 0 HA VAL A 66 4.065 2.067 11.133 1.00 50.00 H new ATOM 0 HB VAL A 66 5.295 4.198 11.714 1.00 50.00 H new ATOM 0 HG11 VAL A 66 7.385 3.138 12.521 1.00 50.00 H new ATOM 0 HG12 VAL A 66 5.985 2.069 12.777 1.00 50.00 H new ATOM 0 HG13 VAL A 66 7.107 1.759 11.430 1.00 50.00 H new ATOM 0 HG21 VAL A 66 7.437 4.679 10.556 1.00 50.00 H new ATOM 0 HG22 VAL A 66 7.156 3.301 9.465 1.00 50.00 H new ATOM 0 HG23 VAL A 66 6.073 4.712 9.414 1.00 50.00 H new ATOM 969 N ASN A 67 3.173 4.443 10.148 1.00 50.00 N ATOM 970 CA ASN A 67 2.275 5.332 9.356 1.00 50.00 C ATOM 971 C ASN A 67 2.975 5.768 8.065 1.00 50.00 C ATOM 972 O ASN A 67 4.107 6.207 8.089 1.00 50.00 O ATOM 973 CB ASN A 67 2.009 6.538 10.258 1.00 50.00 C ATOM 974 CG ASN A 67 3.313 6.978 10.927 1.00 50.00 C ATOM 975 OD1 ASN A 67 4.373 6.485 10.600 1.00 50.00 O ATOM 976 ND2 ASN A 67 3.277 7.894 11.856 1.00 50.00 N ATOM 0 H ASN A 67 3.242 4.667 11.141 1.00 50.00 H new ATOM 0 HA ASN A 67 1.350 4.834 9.065 1.00 50.00 H new ATOM 0 HB2 ASN A 67 1.595 7.358 9.672 1.00 50.00 H new ATOM 0 HB3 ASN A 67 1.269 6.282 11.016 1.00 50.00 H new ATOM 0 HD21 ASN A 67 4.140 8.196 12.308 1.00 50.00 H new ATOM 0 HD22 ASN A 67 2.386 8.308 12.130 1.00 50.00 H new ATOM 983 N PRO A 68 2.271 5.627 6.975 1.00 50.00 N ATOM 984 CA PRO A 68 2.825 6.005 5.651 1.00 50.00 C ATOM 985 C PRO A 68 2.899 7.529 5.514 1.00 50.00 C ATOM 986 O PRO A 68 1.911 8.222 5.649 1.00 50.00 O ATOM 987 CB PRO A 68 1.820 5.419 4.663 1.00 50.00 C ATOM 988 CG PRO A 68 0.539 5.321 5.428 1.00 50.00 C ATOM 989 CD PRO A 68 0.903 5.106 6.873 1.00 50.00 C ATOM 0 HA PRO A 68 3.839 5.638 5.491 1.00 50.00 H new ATOM 0 HB2 PRO A 68 1.709 6.058 3.787 1.00 50.00 H new ATOM 0 HB3 PRO A 68 2.142 4.441 4.305 1.00 50.00 H new ATOM 0 HG2 PRO A 68 -0.051 6.230 5.310 1.00 50.00 H new ATOM 0 HG3 PRO A 68 -0.069 4.496 5.057 1.00 50.00 H new ATOM 0 HD2 PRO A 68 0.223 5.637 7.539 1.00 50.00 H new ATOM 0 HD3 PRO A 68 0.856 4.051 7.144 1.00 50.00 H new ATOM 997 N PHE A 69 4.064 8.054 5.248 1.00 50.00 N ATOM 998 CA PHE A 69 4.208 9.527 5.103 1.00 50.00 C ATOM 999 C PHE A 69 5.064 9.853 3.876 1.00 50.00 C ATOM 1000 O PHE A 69 5.856 9.046 3.430 1.00 50.00 O ATOM 1001 CB PHE A 69 4.920 9.978 6.378 1.00 50.00 C ATOM 1002 CG PHE A 69 5.777 8.856 6.921 1.00 50.00 C ATOM 1003 CD1 PHE A 69 6.798 8.311 6.133 1.00 50.00 C ATOM 1004 CD2 PHE A 69 5.554 8.366 8.214 1.00 50.00 C ATOM 1005 CE1 PHE A 69 7.594 7.276 6.637 1.00 50.00 C ATOM 1006 CE2 PHE A 69 6.350 7.331 8.717 1.00 50.00 C ATOM 1007 CZ PHE A 69 7.370 6.785 7.928 1.00 50.00 C ATOM 0 H PHE A 69 4.925 7.522 5.125 1.00 50.00 H new ATOM 0 HA PHE A 69 3.248 10.026 4.968 1.00 50.00 H new ATOM 0 HB2 PHE A 69 5.539 10.850 6.169 1.00 50.00 H new ATOM 0 HB3 PHE A 69 4.187 10.280 7.126 1.00 50.00 H new ATOM 0 HD1 PHE A 69 6.971 8.689 5.136 1.00 50.00 H new ATOM 0 HD2 PHE A 69 4.768 8.787 8.823 1.00 50.00 H new ATOM 0 HE1 PHE A 69 8.382 6.856 6.029 1.00 50.00 H new ATOM 0 HE2 PHE A 69 6.178 6.953 9.714 1.00 50.00 H new ATOM 0 HZ PHE A 69 7.984 5.985 8.316 1.00 50.00 H new ATOM 1017 N VAL A 70 4.925 11.032 3.336 1.00 50.00 N ATOM 1018 CA VAL A 70 5.748 11.404 2.148 1.00 50.00 C ATOM 1019 C VAL A 70 6.669 12.572 2.507 1.00 50.00 C ATOM 1020 O VAL A 70 6.597 13.633 1.922 1.00 50.00 O ATOM 1021 CB VAL A 70 4.756 11.822 1.053 1.00 50.00 C ATOM 1022 CG1 VAL A 70 4.832 10.827 -0.106 1.00 50.00 C ATOM 1023 CG2 VAL A 70 3.330 11.841 1.609 1.00 50.00 C ATOM 0 H VAL A 70 4.281 11.752 3.663 1.00 50.00 H new ATOM 0 HA VAL A 70 6.375 10.577 1.814 1.00 50.00 H new ATOM 0 HB VAL A 70 5.015 12.821 0.703 1.00 50.00 H new ATOM 0 HG11 VAL A 70 4.129 11.121 -0.885 1.00 50.00 H new ATOM 0 HG12 VAL A 70 5.843 10.820 -0.514 1.00 50.00 H new ATOM 0 HG13 VAL A 70 4.579 9.830 0.253 1.00 50.00 H new ATOM 0 HG21 VAL A 70 2.637 12.139 0.822 1.00 50.00 H new ATOM 0 HG22 VAL A 70 3.066 10.846 1.968 1.00 50.00 H new ATOM 0 HG23 VAL A 70 3.270 12.552 2.433 1.00 50.00 H new ATOM 1033 N ALA A 71 7.531 12.383 3.469 1.00 50.00 N ATOM 1034 CA ALA A 71 8.456 13.482 3.870 1.00 50.00 C ATOM 1035 C ALA A 71 9.547 13.671 2.814 1.00 50.00 C ATOM 1036 O ALA A 71 10.723 13.556 3.095 1.00 50.00 O ATOM 1037 CB ALA A 71 9.065 13.024 5.195 1.00 50.00 C ATOM 0 H ALA A 71 7.635 11.515 3.995 1.00 50.00 H new ATOM 0 HA ALA A 71 7.942 14.438 3.967 1.00 50.00 H new ATOM 0 HB1 ALA A 71 9.760 13.782 5.557 1.00 50.00 H new ATOM 0 HB2 ALA A 71 8.272 12.878 5.929 1.00 50.00 H new ATOM 0 HB3 ALA A 71 9.598 12.085 5.045 1.00 50.00 H new ATOM 1043 N THR A 72 9.165 13.958 1.601 1.00 50.00 N ATOM 1044 CA THR A 72 10.181 14.155 0.528 1.00 50.00 C ATOM 1045 C THR A 72 9.744 15.279 -0.415 1.00 50.00 C ATOM 1046 O THR A 72 8.573 15.570 -0.548 1.00 50.00 O ATOM 1047 CB THR A 72 10.236 12.821 -0.216 1.00 50.00 C ATOM 1048 OG1 THR A 72 10.228 11.755 0.723 1.00 50.00 O ATOM 1049 CG2 THR A 72 11.514 12.754 -1.054 1.00 50.00 C ATOM 0 H THR A 72 8.195 14.065 1.306 1.00 50.00 H new ATOM 0 HA THR A 72 11.154 14.438 0.928 1.00 50.00 H new ATOM 0 HB THR A 72 9.369 12.735 -0.871 1.00 50.00 H new ATOM 0 HG1 THR A 72 10.262 10.899 0.247 1.00 50.00 H new ATOM 0 HG21 THR A 72 11.552 11.802 -1.584 1.00 50.00 H new ATOM 0 HG22 THR A 72 11.520 13.571 -1.775 1.00 50.00 H new ATOM 0 HG23 THR A 72 12.382 12.840 -0.401 1.00 50.00 H new ATOM 1057 N SER A 73 10.678 15.907 -1.074 1.00 50.00 N ATOM 1058 CA SER A 73 10.313 17.006 -2.012 1.00 50.00 C ATOM 1059 C SER A 73 9.821 16.417 -3.337 1.00 50.00 C ATOM 1060 O SER A 73 9.386 17.127 -4.222 1.00 50.00 O ATOM 1061 CB SER A 73 11.604 17.797 -2.221 1.00 50.00 C ATOM 1062 OG SER A 73 12.692 17.081 -1.651 1.00 50.00 O ATOM 0 H SER A 73 11.676 15.708 -1.004 1.00 50.00 H new ATOM 0 HA SER A 73 9.513 17.636 -1.624 1.00 50.00 H new ATOM 0 HB2 SER A 73 11.777 17.958 -3.285 1.00 50.00 H new ATOM 0 HB3 SER A 73 11.520 18.781 -1.760 1.00 50.00 H new ATOM 0 HG SER A 73 12.954 16.351 -2.251 1.00 50.00 H new ATOM 1068 N SER A 74 9.888 15.121 -3.478 1.00 99.99 N ATOM 1069 CA SER A 74 9.426 14.481 -4.742 1.00 99.99 C ATOM 1070 C SER A 74 8.216 13.583 -4.470 1.00 99.99 C ATOM 1071 O SER A 74 7.867 12.737 -5.270 1.00 99.99 O ATOM 1072 CB SER A 74 10.614 13.650 -5.223 1.00 99.99 C ATOM 1073 OG SER A 74 11.147 12.918 -4.128 1.00 99.99 O ATOM 0 H SER A 74 10.243 14.477 -2.771 1.00 99.99 H new ATOM 0 HA SER A 74 9.115 15.214 -5.486 1.00 99.99 H new ATOM 0 HB2 SER A 74 10.300 12.968 -6.013 1.00 99.99 H new ATOM 0 HB3 SER A 74 11.379 14.300 -5.648 1.00 99.99 H new ATOM 0 HG SER A 74 11.909 12.382 -4.433 1.00 99.99 H new ATOM 1079 N ALA A 75 7.570 13.761 -3.349 1.00 99.99 N ATOM 1080 CA ALA A 75 6.382 12.915 -3.034 1.00 99.99 C ATOM 1081 C ALA A 75 5.154 13.442 -3.777 1.00 99.99 C ATOM 1082 O ALA A 75 4.046 12.998 -3.556 1.00 99.99 O ATOM 1083 CB ALA A 75 6.181 13.043 -1.526 1.00 99.99 C ATOM 0 H ALA A 75 7.812 14.453 -2.640 1.00 99.99 H new ATOM 0 HA ALA A 75 6.526 11.878 -3.337 1.00 99.99 H new ATOM 0 HB1 ALA A 75 5.322 12.445 -1.221 1.00 99.99 H new ATOM 0 HB2 ALA A 75 7.072 12.687 -1.009 1.00 99.99 H new ATOM 0 HB3 ALA A 75 6.005 14.088 -1.270 1.00 99.99 H new ATOM 1089 N ASN A 76 5.342 14.380 -4.663 1.00 99.99 N ATOM 1090 CA ASN A 76 4.193 14.926 -5.420 1.00 99.99 C ATOM 1091 C ASN A 76 3.961 14.075 -6.665 1.00 99.99 C ATOM 1092 O ASN A 76 3.330 14.499 -7.613 1.00 99.99 O ATOM 1093 CB ASN A 76 4.603 16.348 -5.805 1.00 99.99 C ATOM 1094 CG ASN A 76 5.189 17.058 -4.583 1.00 99.99 C ATOM 1095 OD1 ASN A 76 6.010 17.943 -4.716 1.00 99.99 O ATOM 1096 ND2 ASN A 76 4.798 16.706 -3.388 1.00 99.99 N ATOM 0 H ASN A 76 6.247 14.790 -4.893 1.00 99.99 H new ATOM 0 HA ASN A 76 3.268 14.923 -4.843 1.00 99.99 H new ATOM 0 HB2 ASN A 76 5.337 16.321 -6.610 1.00 99.99 H new ATOM 0 HB3 ASN A 76 3.740 16.898 -6.179 1.00 99.99 H new ATOM 0 HD21 ASN A 76 5.182 17.174 -2.567 1.00 99.99 H new ATOM 0 HD22 ASN A 76 4.108 15.963 -3.275 1.00 99.99 H new ATOM 1103 N SER A 77 4.471 12.875 -6.667 1.00 99.99 N ATOM 1104 CA SER A 77 4.288 11.994 -7.845 1.00 99.99 C ATOM 1105 C SER A 77 3.755 10.641 -7.386 1.00 99.99 C ATOM 1106 O SER A 77 3.420 10.455 -6.231 1.00 99.99 O ATOM 1107 CB SER A 77 5.680 11.849 -8.457 1.00 99.99 C ATOM 1108 OG SER A 77 6.516 11.136 -7.555 1.00 99.99 O ATOM 0 H SER A 77 5.007 12.469 -5.900 1.00 99.99 H new ATOM 0 HA SER A 77 3.577 12.397 -8.566 1.00 99.99 H new ATOM 0 HB2 SER A 77 5.619 11.321 -9.409 1.00 99.99 H new ATOM 0 HB3 SER A 77 6.103 12.832 -8.664 1.00 99.99 H new ATOM 0 HG SER A 77 6.879 11.754 -6.887 1.00 99.99 H new ATOM 1114 N LYS A 78 3.675 9.692 -8.274 1.00 99.99 N ATOM 1115 CA LYS A 78 3.170 8.354 -7.871 1.00 99.99 C ATOM 1116 C LYS A 78 4.123 7.743 -6.842 1.00 99.99 C ATOM 1117 O LYS A 78 5.051 7.037 -7.183 1.00 99.99 O ATOM 1118 CB LYS A 78 3.161 7.527 -9.158 1.00 99.99 C ATOM 1119 CG LYS A 78 4.510 7.666 -9.866 1.00 99.99 C ATOM 1120 CD LYS A 78 4.944 6.303 -10.410 1.00 99.99 C ATOM 1121 CE LYS A 78 6.202 6.470 -11.266 1.00 99.99 C ATOM 1122 NZ LYS A 78 6.084 5.440 -12.335 1.00 99.99 N ATOM 0 H LYS A 78 3.936 9.784 -9.256 1.00 99.99 H new ATOM 0 HA LYS A 78 2.180 8.395 -7.416 1.00 99.99 H new ATOM 0 HB2 LYS A 78 2.966 6.480 -8.928 1.00 99.99 H new ATOM 0 HB3 LYS A 78 2.358 7.864 -9.814 1.00 99.99 H new ATOM 0 HG2 LYS A 78 4.433 8.387 -10.680 1.00 99.99 H new ATOM 0 HG3 LYS A 78 5.259 8.048 -9.172 1.00 99.99 H new ATOM 0 HD2 LYS A 78 5.141 5.617 -9.586 1.00 99.99 H new ATOM 0 HD3 LYS A 78 4.142 5.865 -11.005 1.00 99.99 H new ATOM 0 HE2 LYS A 78 6.260 7.473 -11.690 1.00 99.99 H new ATOM 0 HE3 LYS A 78 7.105 6.321 -10.673 1.00 99.99 H new ATOM 0 HZ1 LYS A 78 6.912 5.494 -12.962 1.00 99.99 H new ATOM 0 HZ2 LYS A 78 6.038 4.495 -11.903 1.00 99.99 H new ATOM 0 HZ3 LYS A 78 5.220 5.611 -12.888 1.00 99.99 H new ATOM 1136 N VAL A 79 3.900 8.011 -5.584 1.00 99.99 N ATOM 1137 CA VAL A 79 4.788 7.451 -4.537 1.00 99.99 C ATOM 1138 C VAL A 79 4.452 5.970 -4.330 1.00 99.99 C ATOM 1139 O VAL A 79 3.537 5.453 -4.934 1.00 99.99 O ATOM 1140 CB VAL A 79 4.461 8.258 -3.283 1.00 99.99 C ATOM 1141 CG1 VAL A 79 4.792 9.732 -3.523 1.00 99.99 C ATOM 1142 CG2 VAL A 79 2.973 8.115 -2.958 1.00 99.99 C ATOM 0 H VAL A 79 3.138 8.595 -5.240 1.00 99.99 H new ATOM 0 HA VAL A 79 5.846 7.512 -4.793 1.00 99.99 H new ATOM 0 HB VAL A 79 5.053 7.885 -2.447 1.00 99.99 H new ATOM 0 HG11 VAL A 79 4.558 10.308 -2.627 1.00 99.99 H new ATOM 0 HG12 VAL A 79 5.852 9.834 -3.754 1.00 99.99 H new ATOM 0 HG13 VAL A 79 4.201 10.106 -4.359 1.00 99.99 H new ATOM 0 HG21 VAL A 79 2.739 8.691 -2.063 1.00 99.99 H new ATOM 0 HG22 VAL A 79 2.381 8.487 -3.794 1.00 99.99 H new ATOM 0 HG23 VAL A 79 2.738 7.065 -2.786 1.00 99.99 H new ATOM 1152 N LEU A 80 5.180 5.278 -3.495 1.00 50.00 N ATOM 1153 CA LEU A 80 4.879 3.829 -3.285 1.00 50.00 C ATOM 1154 C LEU A 80 4.872 3.474 -1.795 1.00 50.00 C ATOM 1155 O LEU A 80 5.766 3.832 -1.054 1.00 50.00 O ATOM 1156 CB LEU A 80 6.006 3.086 -4.003 1.00 50.00 C ATOM 1157 CG LEU A 80 5.580 1.641 -4.264 1.00 50.00 C ATOM 1158 CD1 LEU A 80 6.029 1.221 -5.664 1.00 50.00 C ATOM 1159 CD2 LEU A 80 6.230 0.724 -3.224 1.00 50.00 C ATOM 0 H LEU A 80 5.962 5.647 -2.954 1.00 50.00 H new ATOM 0 HA LEU A 80 3.894 3.563 -3.668 1.00 50.00 H new ATOM 0 HB2 LEU A 80 6.241 3.583 -4.944 1.00 50.00 H new ATOM 0 HB3 LEU A 80 6.912 3.105 -3.397 1.00 50.00 H new ATOM 0 HG LEU A 80 4.495 1.563 -4.192 1.00 50.00 H new ATOM 0 HD11 LEU A 80 5.725 0.191 -5.850 1.00 50.00 H new ATOM 0 HD12 LEU A 80 5.569 1.874 -6.405 1.00 50.00 H new ATOM 0 HD13 LEU A 80 7.114 1.298 -5.737 1.00 50.00 H new ATOM 0 HD21 LEU A 80 5.928 -0.307 -3.408 1.00 50.00 H new ATOM 0 HD22 LEU A 80 7.315 0.803 -3.297 1.00 50.00 H new ATOM 0 HD23 LEU A 80 5.911 1.023 -2.225 1.00 50.00 H new ATOM 1171 N VAL A 81 3.868 2.762 -1.357 1.00 50.00 N ATOM 1172 CA VAL A 81 3.792 2.364 0.076 1.00 50.00 C ATOM 1173 C VAL A 81 3.708 0.837 0.184 1.00 50.00 C ATOM 1174 O VAL A 81 3.676 0.140 -0.811 1.00 50.00 O ATOM 1175 CB VAL A 81 2.510 3.013 0.601 1.00 50.00 C ATOM 1176 CG1 VAL A 81 2.659 3.297 2.095 1.00 50.00 C ATOM 1177 CG2 VAL A 81 2.257 4.328 -0.144 1.00 50.00 C ATOM 0 H VAL A 81 3.093 2.438 -1.935 1.00 50.00 H new ATOM 0 HA VAL A 81 4.666 2.680 0.646 1.00 50.00 H new ATOM 0 HB VAL A 81 1.670 2.337 0.439 1.00 50.00 H new ATOM 0 HG11 VAL A 81 1.746 3.760 2.470 1.00 50.00 H new ATOM 0 HG12 VAL A 81 2.838 2.363 2.627 1.00 50.00 H new ATOM 0 HG13 VAL A 81 3.500 3.972 2.255 1.00 50.00 H new ATOM 0 HG21 VAL A 81 1.343 4.789 0.231 1.00 50.00 H new ATOM 0 HG22 VAL A 81 3.097 5.004 0.016 1.00 50.00 H new ATOM 0 HG23 VAL A 81 2.151 4.128 -1.210 1.00 50.00 H new ATOM 1187 N GLU A 82 3.673 0.308 1.378 1.00 50.00 N ATOM 1188 CA GLU A 82 3.593 -1.175 1.530 1.00 50.00 C ATOM 1189 C GLU A 82 2.513 -1.552 2.550 1.00 50.00 C ATOM 1190 O GLU A 82 2.327 -0.884 3.547 1.00 50.00 O ATOM 1191 CB GLU A 82 4.976 -1.597 2.029 1.00 50.00 C ATOM 1192 CG GLU A 82 5.978 -1.524 0.873 1.00 50.00 C ATOM 1193 CD GLU A 82 7.391 -1.342 1.432 1.00 50.00 C ATOM 1194 OE1 GLU A 82 7.744 -2.069 2.346 1.00 50.00 O ATOM 1195 OE2 GLU A 82 8.095 -0.479 0.936 1.00 50.00 O ATOM 0 H GLU A 82 3.696 0.835 2.251 1.00 50.00 H new ATOM 0 HA GLU A 82 3.327 -1.670 0.596 1.00 50.00 H new ATOM 0 HB2 GLU A 82 5.295 -0.946 2.843 1.00 50.00 H new ATOM 0 HB3 GLU A 82 4.937 -2.611 2.428 1.00 50.00 H new ATOM 0 HG2 GLU A 82 5.926 -2.434 0.275 1.00 50.00 H new ATOM 0 HG3 GLU A 82 5.727 -0.694 0.212 1.00 50.00 H new ATOM 1202 N MET A 83 1.800 -2.621 2.306 1.00 50.00 N ATOM 1203 CA MET A 83 0.732 -3.042 3.261 1.00 50.00 C ATOM 1204 C MET A 83 0.600 -4.568 3.269 1.00 50.00 C ATOM 1205 O MET A 83 0.714 -5.217 2.249 1.00 50.00 O ATOM 1206 CB MET A 83 -0.550 -2.397 2.733 1.00 50.00 C ATOM 1207 CG MET A 83 -1.100 -1.425 3.779 1.00 50.00 C ATOM 1208 SD MET A 83 -2.173 -0.210 2.970 1.00 50.00 S ATOM 1209 CE MET A 83 -2.855 0.529 4.475 1.00 50.00 C ATOM 0 H MET A 83 1.911 -3.220 1.488 1.00 50.00 H new ATOM 0 HA MET A 83 0.951 -2.736 4.284 1.00 50.00 H new ATOM 0 HB2 MET A 83 -0.347 -1.869 1.801 1.00 50.00 H new ATOM 0 HB3 MET A 83 -1.291 -3.165 2.509 1.00 50.00 H new ATOM 0 HG2 MET A 83 -1.659 -1.970 4.539 1.00 50.00 H new ATOM 0 HG3 MET A 83 -0.279 -0.919 4.288 1.00 50.00 H new ATOM 0 HE1 MET A 83 -3.909 0.762 4.321 1.00 50.00 H new ATOM 0 HE2 MET A 83 -2.756 -0.173 5.303 1.00 50.00 H new ATOM 0 HE3 MET A 83 -2.312 1.445 4.709 1.00 50.00 H new ATOM 1219 N GLU A 84 0.360 -5.147 4.415 1.00 50.00 N ATOM 1220 CA GLU A 84 0.221 -6.618 4.499 1.00 50.00 C ATOM 1221 C GLU A 84 -1.204 -7.001 4.906 1.00 50.00 C ATOM 1222 O GLU A 84 -1.420 -7.537 5.976 1.00 50.00 O ATOM 1223 CB GLU A 84 1.221 -7.054 5.571 1.00 50.00 C ATOM 1224 CG GLU A 84 1.282 -6.009 6.688 1.00 50.00 C ATOM 1225 CD GLU A 84 1.650 -6.693 8.007 1.00 50.00 C ATOM 1226 OE1 GLU A 84 0.777 -7.306 8.597 1.00 50.00 O ATOM 1227 OE2 GLU A 84 2.799 -6.590 8.404 1.00 50.00 O ATOM 0 H GLU A 84 0.254 -4.653 5.301 1.00 50.00 H new ATOM 0 HA GLU A 84 0.414 -7.101 3.541 1.00 50.00 H new ATOM 0 HB2 GLU A 84 0.928 -8.020 5.982 1.00 50.00 H new ATOM 0 HB3 GLU A 84 2.209 -7.182 5.128 1.00 50.00 H new ATOM 0 HG2 GLU A 84 2.019 -5.244 6.445 1.00 50.00 H new ATOM 0 HG3 GLU A 84 0.320 -5.506 6.783 1.00 50.00 H new ATOM 1234 N PRO A 85 -2.131 -6.716 4.033 1.00 50.00 N ATOM 1235 CA PRO A 85 -3.552 -7.039 4.300 1.00 50.00 C ATOM 1236 C PRO A 85 -3.785 -8.548 4.180 1.00 50.00 C ATOM 1237 O PRO A 85 -2.961 -9.263 3.645 1.00 50.00 O ATOM 1238 CB PRO A 85 -4.302 -6.286 3.204 1.00 50.00 C ATOM 1239 CG PRO A 85 -3.310 -6.130 2.095 1.00 50.00 C ATOM 1240 CD PRO A 85 -1.944 -6.072 2.728 1.00 50.00 C ATOM 0 HA PRO A 85 -3.876 -6.758 5.302 1.00 50.00 H new ATOM 0 HB2 PRO A 85 -5.180 -6.841 2.873 1.00 50.00 H new ATOM 0 HB3 PRO A 85 -4.653 -5.317 3.559 1.00 50.00 H new ATOM 0 HG2 PRO A 85 -3.377 -6.966 1.398 1.00 50.00 H new ATOM 0 HG3 PRO A 85 -3.509 -5.223 1.525 1.00 50.00 H new ATOM 0 HD2 PRO A 85 -1.202 -6.597 2.126 1.00 50.00 H new ATOM 0 HD3 PRO A 85 -1.597 -5.044 2.836 1.00 50.00 H new ATOM 1248 N PRO A 86 -4.907 -8.982 4.686 1.00 50.00 N ATOM 1249 CA PRO A 86 -5.258 -10.421 4.635 1.00 50.00 C ATOM 1250 C PRO A 86 -5.632 -10.828 3.206 1.00 50.00 C ATOM 1251 O PRO A 86 -6.277 -10.089 2.490 1.00 50.00 O ATOM 1252 CB PRO A 86 -6.460 -10.530 5.569 1.00 50.00 C ATOM 1253 CG PRO A 86 -7.064 -9.162 5.586 1.00 50.00 C ATOM 1254 CD PRO A 86 -5.944 -8.180 5.344 1.00 50.00 C ATOM 0 HA PRO A 86 -4.438 -11.075 4.930 1.00 50.00 H new ATOM 0 HB2 PRO A 86 -7.173 -11.272 5.209 1.00 50.00 H new ATOM 0 HB3 PRO A 86 -6.156 -10.839 6.569 1.00 50.00 H new ATOM 0 HG2 PRO A 86 -7.830 -9.070 4.816 1.00 50.00 H new ATOM 0 HG3 PRO A 86 -7.548 -8.966 6.543 1.00 50.00 H new ATOM 0 HD2 PRO A 86 -6.268 -7.352 4.714 1.00 50.00 H new ATOM 0 HD3 PRO A 86 -5.583 -7.748 6.277 1.00 50.00 H new ATOM 1262 N PHE A 87 -5.226 -11.995 2.784 1.00 50.00 N ATOM 1263 CA PHE A 87 -5.555 -12.443 1.398 1.00 50.00 C ATOM 1264 C PHE A 87 -7.060 -12.325 1.148 1.00 50.00 C ATOM 1265 O PHE A 87 -7.867 -12.672 1.987 1.00 50.00 O ATOM 1266 CB PHE A 87 -5.116 -13.908 1.327 1.00 50.00 C ATOM 1267 CG PHE A 87 -3.918 -14.126 2.219 1.00 50.00 C ATOM 1268 CD1 PHE A 87 -2.675 -13.593 1.862 1.00 50.00 C ATOM 1269 CD2 PHE A 87 -4.057 -14.846 3.409 1.00 50.00 C ATOM 1270 CE1 PHE A 87 -1.568 -13.786 2.696 1.00 50.00 C ATOM 1271 CE2 PHE A 87 -2.952 -15.037 4.245 1.00 50.00 C ATOM 1272 CZ PHE A 87 -1.706 -14.506 3.888 1.00 50.00 C ATOM 0 H PHE A 87 -4.682 -12.657 3.337 1.00 50.00 H new ATOM 0 HA PHE A 87 -5.055 -11.835 0.644 1.00 50.00 H new ATOM 0 HB2 PHE A 87 -5.934 -14.558 1.636 1.00 50.00 H new ATOM 0 HB3 PHE A 87 -4.869 -14.174 0.299 1.00 50.00 H new ATOM 0 HD1 PHE A 87 -2.570 -13.033 0.944 1.00 50.00 H new ATOM 0 HD2 PHE A 87 -5.018 -15.255 3.683 1.00 50.00 H new ATOM 0 HE1 PHE A 87 -0.607 -13.379 2.420 1.00 50.00 H new ATOM 0 HE2 PHE A 87 -3.059 -15.593 5.165 1.00 50.00 H new ATOM 0 HZ PHE A 87 -0.852 -14.652 4.533 1.00 50.00 H new ATOM 1282 N GLY A 88 -7.444 -11.837 0.000 1.00 50.00 N ATOM 1283 CA GLY A 88 -8.895 -11.696 -0.301 1.00 50.00 C ATOM 1284 C GLY A 88 -9.214 -10.228 -0.585 1.00 50.00 C ATOM 1285 O GLY A 88 -8.413 -9.350 -0.330 1.00 50.00 O ATOM 0 H GLY A 88 -6.815 -11.530 -0.742 1.00 50.00 H new ATOM 0 HA2 GLY A 88 -9.161 -12.310 -1.161 1.00 50.00 H new ATOM 0 HA3 GLY A 88 -9.489 -12.052 0.541 1.00 50.00 H new ATOM 1289 N ASP A 89 -10.374 -9.954 -1.110 1.00 50.00 N ATOM 1290 CA ASP A 89 -10.739 -8.540 -1.408 1.00 50.00 C ATOM 1291 C ASP A 89 -10.557 -7.676 -0.157 1.00 50.00 C ATOM 1292 O ASP A 89 -10.757 -8.129 0.953 1.00 50.00 O ATOM 1293 CB ASP A 89 -12.210 -8.589 -1.821 1.00 50.00 C ATOM 1294 CG ASP A 89 -12.391 -9.604 -2.950 1.00 50.00 C ATOM 1295 OD1 ASP A 89 -11.394 -10.002 -3.530 1.00 50.00 O ATOM 1296 OD2 ASP A 89 -13.526 -9.967 -3.218 1.00 50.00 O ATOM 0 H ASP A 89 -11.085 -10.646 -1.346 1.00 50.00 H new ATOM 0 HA ASP A 89 -10.114 -8.105 -2.188 1.00 50.00 H new ATOM 0 HB2 ASP A 89 -12.829 -8.865 -0.967 1.00 50.00 H new ATOM 0 HB3 ASP A 89 -12.540 -7.603 -2.148 1.00 50.00 H new ATOM 1301 N SER A 90 -10.175 -6.439 -0.324 1.00 50.00 N ATOM 1302 CA SER A 90 -9.978 -5.556 0.862 1.00 50.00 C ATOM 1303 C SER A 90 -10.468 -4.136 0.564 1.00 50.00 C ATOM 1304 O SER A 90 -10.284 -3.619 -0.519 1.00 50.00 O ATOM 1305 CB SER A 90 -8.471 -5.559 1.109 1.00 50.00 C ATOM 1306 OG SER A 90 -7.795 -5.818 -0.115 1.00 50.00 O ATOM 0 H SER A 90 -9.991 -6.002 -1.227 1.00 50.00 H new ATOM 0 HA SER A 90 -10.538 -5.905 1.729 1.00 50.00 H new ATOM 0 HB2 SER A 90 -8.156 -4.598 1.516 1.00 50.00 H new ATOM 0 HB3 SER A 90 -8.213 -6.318 1.848 1.00 50.00 H new ATOM 0 HG SER A 90 -6.827 -5.819 0.040 1.00 50.00 H new ATOM 1312 N TYR A 91 -11.083 -3.499 1.525 1.00 50.00 N ATOM 1313 CA TYR A 91 -11.575 -2.110 1.307 1.00 50.00 C ATOM 1314 C TYR A 91 -10.561 -1.111 1.866 1.00 50.00 C ATOM 1315 O TYR A 91 -10.357 -1.025 3.061 1.00 50.00 O ATOM 1316 CB TYR A 91 -12.891 -2.030 2.081 1.00 50.00 C ATOM 1317 CG TYR A 91 -14.050 -2.091 1.116 1.00 50.00 C ATOM 1318 CD1 TYR A 91 -14.019 -2.990 0.044 1.00 50.00 C ATOM 1319 CD2 TYR A 91 -15.155 -1.251 1.294 1.00 50.00 C ATOM 1320 CE1 TYR A 91 -15.094 -3.048 -0.852 1.00 50.00 C ATOM 1321 CE2 TYR A 91 -16.230 -1.309 0.399 1.00 50.00 C ATOM 1322 CZ TYR A 91 -16.200 -2.207 -0.674 1.00 50.00 C ATOM 1323 OH TYR A 91 -17.258 -2.266 -1.557 1.00 49.57 O ATOM 0 H TYR A 91 -11.265 -3.882 2.452 1.00 50.00 H new ATOM 0 HA TYR A 91 -11.712 -1.875 0.252 1.00 50.00 H new ATOM 0 HB2 TYR A 91 -12.955 -2.851 2.795 1.00 50.00 H new ATOM 0 HB3 TYR A 91 -12.931 -1.105 2.655 1.00 50.00 H new ATOM 0 HD1 TYR A 91 -13.166 -3.639 -0.092 1.00 50.00 H new ATOM 0 HD2 TYR A 91 -15.179 -0.558 2.122 1.00 50.00 H new ATOM 0 HE1 TYR A 91 -15.070 -3.741 -1.680 1.00 50.00 H new ATOM 0 HE2 TYR A 91 -17.083 -0.661 0.537 1.00 50.00 H new ATOM 0 HH TYR A 91 -17.943 -1.618 -1.290 1.00 49.57 H new ATOM 1333 N ILE A 92 -9.916 -0.359 1.016 1.00 50.00 N ATOM 1334 CA ILE A 92 -8.912 0.624 1.515 1.00 50.00 C ATOM 1335 C ILE A 92 -9.489 2.040 1.480 1.00 50.00 C ATOM 1336 O ILE A 92 -10.129 2.437 0.527 1.00 50.00 O ATOM 1337 CB ILE A 92 -7.730 0.505 0.554 1.00 50.00 C ATOM 1338 CG1 ILE A 92 -6.543 1.294 1.110 1.00 50.00 C ATOM 1339 CG2 ILE A 92 -8.123 1.073 -0.811 1.00 50.00 C ATOM 1340 CD1 ILE A 92 -5.431 1.353 0.061 1.00 50.00 C ATOM 0 H ILE A 92 -10.039 -0.382 0.004 1.00 50.00 H new ATOM 0 HA ILE A 92 -8.622 0.427 2.547 1.00 50.00 H new ATOM 0 HB ILE A 92 -7.453 -0.544 0.445 1.00 50.00 H new ATOM 0 HG12 ILE A 92 -6.857 2.302 1.379 1.00 50.00 H new ATOM 0 HG13 ILE A 92 -6.174 0.822 2.020 1.00 50.00 H new ATOM 0 HG21 ILE A 92 -7.280 0.988 -1.497 1.00 50.00 H new ATOM 0 HG22 ILE A 92 -8.971 0.514 -1.207 1.00 50.00 H new ATOM 0 HG23 ILE A 92 -8.399 2.122 -0.703 1.00 50.00 H new ATOM 0 HD11 ILE A 92 -4.586 1.915 0.458 1.00 50.00 H new ATOM 0 HD12 ILE A 92 -5.110 0.341 -0.186 1.00 50.00 H new ATOM 0 HD13 ILE A 92 -5.804 1.845 -0.837 1.00 50.00 H new ATOM 1352 N VAL A 93 -9.266 2.810 2.510 1.00 50.00 N ATOM 1353 CA VAL A 93 -9.802 4.201 2.527 1.00 50.00 C ATOM 1354 C VAL A 93 -8.672 5.203 2.777 1.00 50.00 C ATOM 1355 O VAL A 93 -8.086 5.241 3.841 1.00 50.00 O ATOM 1356 CB VAL A 93 -10.805 4.230 3.678 1.00 50.00 C ATOM 1357 CG1 VAL A 93 -11.537 5.573 3.686 1.00 50.00 C ATOM 1358 CG2 VAL A 93 -11.819 3.098 3.500 1.00 50.00 C ATOM 0 H VAL A 93 -8.737 2.537 3.338 1.00 50.00 H new ATOM 0 HA VAL A 93 -10.264 4.473 1.578 1.00 50.00 H new ATOM 0 HB VAL A 93 -10.276 4.100 4.622 1.00 50.00 H new ATOM 0 HG11 VAL A 93 -12.253 5.592 4.508 1.00 50.00 H new ATOM 0 HG12 VAL A 93 -10.815 6.380 3.814 1.00 50.00 H new ATOM 0 HG13 VAL A 93 -12.065 5.705 2.742 1.00 50.00 H new ATOM 0 HG21 VAL A 93 -12.535 3.118 4.322 1.00 50.00 H new ATOM 0 HG22 VAL A 93 -12.347 3.228 2.555 1.00 50.00 H new ATOM 0 HG23 VAL A 93 -11.298 2.140 3.496 1.00 50.00 H new ATOM 1368 N VAL A 94 -8.362 6.015 1.804 1.00 50.00 N ATOM 1369 CA VAL A 94 -7.271 7.015 1.986 1.00 50.00 C ATOM 1370 C VAL A 94 -7.866 8.413 2.175 1.00 50.00 C ATOM 1371 O VAL A 94 -8.257 9.064 1.227 1.00 50.00 O ATOM 1372 CB VAL A 94 -6.456 6.949 0.696 1.00 50.00 C ATOM 1373 CG1 VAL A 94 -5.506 8.146 0.631 1.00 50.00 C ATOM 1374 CG2 VAL A 94 -5.644 5.653 0.672 1.00 50.00 C ATOM 0 H VAL A 94 -8.817 6.030 0.891 1.00 50.00 H new ATOM 0 HA VAL A 94 -6.660 6.807 2.864 1.00 50.00 H new ATOM 0 HB VAL A 94 -7.130 6.972 -0.161 1.00 50.00 H new ATOM 0 HG11 VAL A 94 -4.924 8.099 -0.290 1.00 50.00 H new ATOM 0 HG12 VAL A 94 -6.084 9.070 0.649 1.00 50.00 H new ATOM 0 HG13 VAL A 94 -4.832 8.123 1.488 1.00 50.00 H new ATOM 0 HG21 VAL A 94 -5.062 5.605 -0.248 1.00 50.00 H new ATOM 0 HG22 VAL A 94 -4.971 5.630 1.529 1.00 50.00 H new ATOM 0 HG23 VAL A 94 -6.320 4.799 0.719 1.00 50.00 H new ATOM 1384 N GLY A 95 -7.941 8.879 3.392 1.00 50.00 N ATOM 1385 CA GLY A 95 -8.514 10.234 3.635 1.00 50.00 C ATOM 1386 C GLY A 95 -7.879 10.846 4.884 1.00 50.00 C ATOM 1387 O GLY A 95 -7.255 10.166 5.674 1.00 50.00 O ATOM 0 H GLY A 95 -7.631 8.382 4.227 1.00 50.00 H new ATOM 0 HA2 GLY A 95 -8.334 10.875 2.772 1.00 50.00 H new ATOM 0 HA3 GLY A 95 -9.594 10.165 3.761 1.00 50.00 H new ATOM 1391 N MET A 96 -8.035 12.129 5.068 1.00 50.00 N ATOM 1392 CA MET A 96 -7.442 12.792 6.266 1.00 50.00 C ATOM 1393 C MET A 96 -8.527 13.076 7.308 1.00 50.00 C ATOM 1394 O MET A 96 -8.271 13.098 8.495 1.00 50.00 O ATOM 1395 CB MET A 96 -6.848 14.099 5.741 1.00 50.00 C ATOM 1396 CG MET A 96 -6.371 14.954 6.917 1.00 50.00 C ATOM 1397 SD MET A 96 -6.233 16.681 6.390 1.00 50.00 S ATOM 1398 CE MET A 96 -5.260 16.386 4.894 1.00 50.00 C ATOM 0 H MET A 96 -8.548 12.748 4.440 1.00 50.00 H new ATOM 0 HA MET A 96 -6.692 12.169 6.753 1.00 50.00 H new ATOM 0 HB2 MET A 96 -6.015 13.888 5.070 1.00 50.00 H new ATOM 0 HB3 MET A 96 -7.594 14.643 5.162 1.00 50.00 H new ATOM 0 HG2 MET A 96 -7.071 14.871 7.748 1.00 50.00 H new ATOM 0 HG3 MET A 96 -5.407 14.594 7.275 1.00 50.00 H new ATOM 0 HE1 MET A 96 -4.333 16.957 4.944 1.00 50.00 H new ATOM 0 HE2 MET A 96 -5.028 15.324 4.815 1.00 50.00 H new ATOM 0 HE3 MET A 96 -5.832 16.699 4.020 1.00 50.00 H new ATOM 1408 N GLY A 97 -9.738 13.294 6.873 1.00 50.00 N ATOM 1409 CA GLY A 97 -10.836 13.577 7.840 1.00 50.00 C ATOM 1410 C GLY A 97 -12.145 13.802 7.081 1.00 50.00 C ATOM 1411 O GLY A 97 -12.876 12.874 6.795 1.00 50.00 O ATOM 0 H GLY A 97 -10.014 13.288 5.891 1.00 50.00 H new ATOM 0 HA2 GLY A 97 -10.946 12.744 8.535 1.00 50.00 H new ATOM 0 HA3 GLY A 97 -10.593 14.458 8.434 1.00 50.00 H new ATOM 1415 N ASP A 98 -12.448 15.029 6.754 1.00 50.00 N ATOM 1416 CA ASP A 98 -13.712 15.317 6.016 1.00 50.00 C ATOM 1417 C ASP A 98 -13.673 14.684 4.622 1.00 50.00 C ATOM 1418 O ASP A 98 -14.407 13.762 4.329 1.00 50.00 O ATOM 1419 CB ASP A 98 -13.766 16.842 5.912 1.00 50.00 C ATOM 1420 CG ASP A 98 -15.148 17.335 6.341 1.00 50.00 C ATOM 1421 OD1 ASP A 98 -15.610 16.908 7.387 1.00 50.00 O ATOM 1422 OD2 ASP A 98 -15.723 18.131 5.617 1.00 50.00 O ATOM 0 H ASP A 98 -11.875 15.845 6.966 1.00 50.00 H new ATOM 0 HA ASP A 98 -14.587 14.909 6.521 1.00 50.00 H new ATOM 0 HB2 ASP A 98 -12.997 17.287 6.544 1.00 50.00 H new ATOM 0 HB3 ASP A 98 -13.558 17.155 4.889 1.00 50.00 H new ATOM 1427 N LYS A 99 -12.825 15.174 3.759 1.00 50.00 N ATOM 1428 CA LYS A 99 -12.744 14.603 2.388 1.00 50.00 C ATOM 1429 C LYS A 99 -11.925 13.310 2.404 1.00 50.00 C ATOM 1430 O LYS A 99 -10.724 13.326 2.589 1.00 50.00 O ATOM 1431 CB LYS A 99 -12.043 15.675 1.553 1.00 50.00 C ATOM 1432 CG LYS A 99 -12.278 15.401 0.066 1.00 50.00 C ATOM 1433 CD LYS A 99 -13.780 15.423 -0.229 1.00 50.00 C ATOM 1434 CE LYS A 99 -14.018 16.048 -1.606 1.00 50.00 C ATOM 1435 NZ LYS A 99 -15.423 16.543 -1.567 1.00 50.00 N ATOM 0 H LYS A 99 -12.185 15.946 3.946 1.00 50.00 H new ATOM 0 HA LYS A 99 -13.725 14.352 1.985 1.00 50.00 H new ATOM 0 HB2 LYS A 99 -12.423 16.662 1.816 1.00 50.00 H new ATOM 0 HB3 LYS A 99 -10.975 15.677 1.768 1.00 50.00 H new ATOM 0 HG2 LYS A 99 -11.768 16.152 -0.538 1.00 50.00 H new ATOM 0 HG3 LYS A 99 -11.858 14.433 -0.207 1.00 50.00 H new ATOM 0 HD2 LYS A 99 -14.182 14.410 -0.203 1.00 50.00 H new ATOM 0 HD3 LYS A 99 -14.304 15.994 0.537 1.00 50.00 H new ATOM 0 HE2 LYS A 99 -13.318 16.862 -1.797 1.00 50.00 H new ATOM 0 HE3 LYS A 99 -13.879 15.316 -2.401 1.00 50.00 H new ATOM 0 HZ1 LYS A 99 -15.661 16.985 -2.478 1.00 50.00 H new ATOM 0 HZ2 LYS A 99 -16.067 15.746 -1.391 1.00 50.00 H new ATOM 0 HZ3 LYS A 99 -15.523 17.244 -0.805 1.00 50.00 H new ATOM 1449 N GLN A 100 -12.567 12.189 2.217 1.00 0.00 N ATOM 1450 CA GLN A 100 -11.828 10.895 2.227 1.00 0.00 C ATOM 1451 C GLN A 100 -12.281 10.020 1.052 1.00 0.00 C ATOM 1452 O GLN A 100 -13.407 10.095 0.602 1.00 0.00 O ATOM 1453 CB GLN A 100 -12.178 10.248 3.575 1.00 0.00 C ATOM 1454 CG GLN A 100 -12.380 8.740 3.400 1.00 0.00 C ATOM 1455 CD GLN A 100 -13.772 8.474 2.821 1.00 0.00 C ATOM 1456 OE1 GLN A 100 -14.166 7.336 2.660 1.00 0.00 O ATOM 1457 NE2 GLN A 100 -14.537 9.481 2.500 1.00 0.00 N ATOM 0 H GLN A 100 -13.572 12.114 2.058 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.752 11.026 2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.381 10.435 4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.084 10.699 3.979 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.615 8.335 2.737 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -12.271 8.234 4.359 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -14.206 10.436 2.635 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.466 9.313 2.114 1.00 0.00 H new ATOM 1466 N ILE A 101 -11.406 9.198 0.546 1.00 0.00 N ATOM 1467 CA ILE A 101 -11.775 8.318 -0.600 1.00 0.00 C ATOM 1468 C ILE A 101 -11.635 6.849 -0.195 1.00 0.00 C ATOM 1469 O ILE A 101 -10.877 6.510 0.692 1.00 0.00 O ATOM 1470 CB ILE A 101 -10.777 8.669 -1.704 1.00 0.00 C ATOM 1471 CG1 ILE A 101 -9.358 8.356 -1.225 1.00 0.00 C ATOM 1472 CG2 ILE A 101 -10.885 10.158 -2.037 1.00 0.00 C ATOM 1473 CD1 ILE A 101 -8.502 7.921 -2.416 1.00 0.00 C ATOM 0 H ILE A 101 -10.447 9.096 0.877 1.00 0.00 H new ATOM 0 HA ILE A 101 -12.806 8.464 -0.923 1.00 0.00 H new ATOM 0 HB ILE A 101 -10.999 8.081 -2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.921 9.235 -0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -9.382 7.567 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -10.173 10.407 -2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -11.896 10.382 -2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -10.663 10.747 -1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.491 7.698 -2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.936 7.031 -2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.468 8.724 -3.152 1.00 0.00 H new ATOM 1485 N ASN A 102 -12.359 5.973 -0.836 1.00 0.00 N ATOM 1486 CA ASN A 102 -12.262 4.527 -0.480 1.00 0.00 C ATOM 1487 C ASN A 102 -12.372 3.659 -1.736 1.00 0.00 C ATOM 1488 O ASN A 102 -13.202 3.889 -2.593 1.00 0.00 O ATOM 1489 CB ASN A 102 -13.443 4.270 0.455 1.00 0.00 C ATOM 1490 CG ASN A 102 -14.746 4.313 -0.345 1.00 0.00 C ATOM 1491 OD1 ASN A 102 -14.999 3.451 -1.162 1.00 0.00 O ATOM 1492 ND2 ASN A 102 -15.589 5.289 -0.142 1.00 0.00 N ATOM 0 H ASN A 102 -13.012 6.194 -1.588 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.309 4.282 -0.011 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -13.333 3.300 0.939 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.464 5.020 1.246 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -16.461 5.328 -0.670 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -15.376 6.013 0.544 1.00 0.00 H new ATOM 1499 N HIS A 103 -11.540 2.659 -1.850 1.00 0.00 N ATOM 1500 CA HIS A 103 -11.595 1.773 -3.047 1.00 0.00 C ATOM 1501 C HIS A 103 -11.861 0.325 -2.624 1.00 0.00 C ATOM 1502 O HIS A 103 -11.785 -0.017 -1.461 1.00 0.00 O ATOM 1503 CB HIS A 103 -10.216 1.897 -3.694 1.00 0.00 C ATOM 1504 CG HIS A 103 -10.289 2.853 -4.852 1.00 0.00 C ATOM 1505 ND1 HIS A 103 -11.187 3.910 -4.880 1.00 0.00 N ATOM 1506 CD2 HIS A 103 -9.587 2.927 -6.029 1.00 0.00 C ATOM 1507 CE1 HIS A 103 -11.002 4.568 -6.040 1.00 0.00 C ATOM 1508 NE2 HIS A 103 -10.038 4.010 -6.777 1.00 0.00 N ATOM 0 H HIS A 103 -10.824 2.418 -1.165 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.395 2.055 -3.732 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.490 2.251 -2.962 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.874 0.920 -4.036 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -11.864 4.146 -4.154 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.803 2.247 -6.329 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.564 5.440 -6.338 1.00 0.00 H new ATOM 1516 N HIS A 104 -12.169 -0.526 -3.563 1.00 0.00 N ATOM 1517 CA HIS A 104 -12.438 -1.953 -3.223 1.00 0.00 C ATOM 1518 C HIS A 104 -11.641 -2.871 -4.152 1.00 0.00 C ATOM 1519 O HIS A 104 -11.961 -3.024 -5.314 1.00 0.00 O ATOM 1520 CB HIS A 104 -13.940 -2.135 -3.445 1.00 0.00 C ATOM 1521 CG HIS A 104 -14.332 -1.516 -4.759 1.00 0.00 C ATOM 1522 ND1 HIS A 104 -14.895 -0.252 -4.840 1.00 0.00 N ATOM 1523 CD2 HIS A 104 -14.251 -1.974 -6.050 1.00 0.00 C ATOM 1524 CE1 HIS A 104 -15.129 0.005 -6.141 1.00 0.00 C ATOM 1525 NE2 HIS A 104 -14.754 -1.012 -6.922 1.00 0.00 N ATOM 0 H HIS A 104 -12.246 -0.295 -4.553 1.00 0.00 H new ATOM 0 HA HIS A 104 -12.146 -2.201 -2.203 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -14.193 -3.195 -3.440 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -14.497 -1.671 -2.632 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -13.857 -2.935 -6.345 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -15.567 0.922 -6.508 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -14.822 -1.071 -7.938 1.00 0.00 H new ATOM 1533 N TRP A 105 -10.600 -3.478 -3.651 1.00 0.00 N ATOM 1534 CA TRP A 105 -9.780 -4.376 -4.505 1.00 0.00 C ATOM 1535 C TRP A 105 -10.343 -5.800 -4.487 1.00 0.00 C ATOM 1536 O TRP A 105 -10.311 -6.479 -3.479 1.00 0.00 O ATOM 1537 CB TRP A 105 -8.383 -4.340 -3.885 1.00 0.00 C ATOM 1538 CG TRP A 105 -7.497 -3.464 -4.708 1.00 0.00 C ATOM 1539 CD1 TRP A 105 -6.678 -3.895 -5.696 1.00 0.00 C ATOM 1540 CD2 TRP A 105 -7.325 -2.018 -4.637 1.00 0.00 C ATOM 1541 NE1 TRP A 105 -6.016 -2.807 -6.235 1.00 0.00 N ATOM 1542 CE2 TRP A 105 -6.380 -1.629 -5.616 1.00 0.00 C ATOM 1543 CE3 TRP A 105 -7.892 -1.017 -3.827 1.00 0.00 C ATOM 1544 CZ2 TRP A 105 -6.010 -0.293 -5.785 1.00 0.00 C ATOM 1545 CZ3 TRP A 105 -7.521 0.328 -3.994 1.00 0.00 C ATOM 1546 CH2 TRP A 105 -6.582 0.688 -4.971 1.00 0.00 C ATOM 0 H TRP A 105 -10.283 -3.389 -2.685 1.00 0.00 H new ATOM 0 HA TRP A 105 -9.774 -4.059 -5.548 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -8.436 -3.964 -2.863 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -7.970 -5.347 -3.833 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.561 -4.921 -6.012 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.341 -2.868 -6.997 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -8.617 -1.284 -3.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -5.287 -0.020 -6.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.962 1.089 -3.366 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -6.301 1.723 -5.094 1.00 0.00 H new