USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 468 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot -80:sc= 0.682 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.494 K(o=-0.49,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= 0.132 (180deg=0.128) USER MOD Single : A 45 TYR OH : rot 165:sc= -0.0527 USER MOD Single : A 46 CYS SG : rot 140:sc= -0.0573 USER MOD Single : A 47 SER OG : rot -76:sc= 0.858 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 137:sc= 1.27 (180deg=0.0395) USER MOD Single : A 60 LYS NZ :NH3+ -156:sc= 0.284 (180deg=0.112) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -138:sc= -0.115 (180deg=-2.04!) USER MOD Single : A 72 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 202 N ASN A 16 -1.573 1.118 -6.188 1.00 0.00 N ATOM 203 CA ASN A 16 -0.525 1.920 -5.570 1.00 0.00 C ATOM 204 C ASN A 16 -0.371 1.570 -4.093 1.00 0.00 C ATOM 205 O ASN A 16 -1.159 0.802 -3.542 1.00 0.00 O ATOM 206 CB ASN A 16 -0.836 3.410 -5.722 1.00 0.00 C ATOM 207 CG ASN A 16 -0.607 3.907 -7.137 1.00 0.00 C ATOM 208 OD1 ASN A 16 -1.550 4.052 -7.916 1.00 0.00 O ATOM 209 ND2 ASN A 16 0.649 4.171 -7.476 1.00 0.00 N ATOM 0 HA ASN A 16 0.414 1.698 -6.078 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.873 3.593 -5.439 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.212 3.981 -5.034 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.864 4.509 -8.414 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.399 4.036 -6.798 1.00 0.00 H new ATOM 216 N ALA A 17 0.649 2.139 -3.459 1.00 0.00 N ATOM 217 CA ALA A 17 0.904 1.890 -2.046 1.00 0.00 C ATOM 218 C ALA A 17 -0.399 1.713 -1.274 1.00 0.00 C ATOM 219 O ALA A 17 -0.562 0.751 -0.524 1.00 0.00 O ATOM 220 CB ALA A 17 1.723 3.025 -1.448 1.00 0.00 C ATOM 0 H ALA A 17 1.312 2.775 -3.902 1.00 0.00 H new ATOM 0 HA ALA A 17 1.473 0.964 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.905 2.825 -0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.675 3.102 -1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.175 3.962 -1.550 1.00 0.00 H new ATOM 226 N TYR A 18 -1.324 2.648 -1.464 1.00 0.00 N ATOM 227 CA TYR A 18 -2.612 2.596 -0.783 1.00 0.00 C ATOM 228 C TYR A 18 -3.302 1.257 -1.023 1.00 0.00 C ATOM 229 O TYR A 18 -3.822 0.638 -0.094 1.00 0.00 O ATOM 230 CB TYR A 18 -3.511 3.738 -1.262 1.00 0.00 C ATOM 231 CG TYR A 18 -4.820 3.835 -0.510 1.00 0.00 C ATOM 232 CD1 TYR A 18 -4.841 3.976 0.871 1.00 0.00 C ATOM 233 CD2 TYR A 18 -6.034 3.786 -1.183 1.00 0.00 C ATOM 234 CE1 TYR A 18 -6.035 4.063 1.563 1.00 0.00 C ATOM 235 CE2 TYR A 18 -7.233 3.874 -0.500 1.00 0.00 C ATOM 236 CZ TYR A 18 -7.227 4.012 0.872 1.00 0.00 C ATOM 237 OH TYR A 18 -8.417 4.101 1.556 1.00 0.00 O ATOM 0 H TYR A 18 -1.206 3.450 -2.083 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.434 2.705 0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.973 4.680 -1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.720 3.604 -2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.909 4.018 1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.042 3.677 -2.257 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.034 4.170 2.638 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -8.169 3.835 -1.038 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.632 3.231 1.953 1.00 0.00 H new ATOM 247 N TYR A 19 -3.302 0.815 -2.276 1.00 0.00 N ATOM 248 CA TYR A 19 -3.930 -0.450 -2.639 1.00 0.00 C ATOM 249 C TYR A 19 -3.251 -1.618 -1.930 1.00 0.00 C ATOM 250 O TYR A 19 -3.915 -2.516 -1.412 1.00 0.00 O ATOM 251 CB TYR A 19 -3.871 -0.655 -4.154 1.00 0.00 C ATOM 252 CG TYR A 19 -4.434 -1.983 -4.607 1.00 0.00 C ATOM 253 CD1 TYR A 19 -3.707 -3.157 -4.450 1.00 0.00 C ATOM 254 CD2 TYR A 19 -5.690 -2.065 -5.193 1.00 0.00 C ATOM 255 CE1 TYR A 19 -4.216 -4.373 -4.863 1.00 0.00 C ATOM 256 CE2 TYR A 19 -6.208 -3.277 -5.608 1.00 0.00 C ATOM 257 CZ TYR A 19 -5.467 -4.428 -5.441 1.00 0.00 C ATOM 258 OH TYR A 19 -5.978 -5.637 -5.855 1.00 0.00 O ATOM 0 H TYR A 19 -2.875 1.313 -3.057 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.973 -0.413 -2.324 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.421 0.149 -4.643 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.835 -0.578 -4.483 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.727 -3.118 -3.997 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.273 -1.165 -5.327 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.637 -5.276 -4.734 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.188 -3.323 -6.061 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.869 -5.501 -6.239 1.00 0.00 H new ATOM 268 N PHE A 20 -1.922 -1.599 -1.911 1.00 0.00 N ATOM 269 CA PHE A 20 -1.152 -2.656 -1.267 1.00 0.00 C ATOM 270 C PHE A 20 -1.415 -2.681 0.236 1.00 0.00 C ATOM 271 O PHE A 20 -1.301 -3.724 0.880 1.00 0.00 O ATOM 272 CB PHE A 20 0.343 -2.460 -1.531 1.00 0.00 C ATOM 273 CG PHE A 20 0.822 -3.130 -2.787 1.00 0.00 C ATOM 274 CD1 PHE A 20 0.365 -2.716 -4.027 1.00 0.00 C ATOM 275 CD2 PHE A 20 1.730 -4.175 -2.727 1.00 0.00 C ATOM 276 CE1 PHE A 20 0.804 -3.331 -5.184 1.00 0.00 C ATOM 277 CE2 PHE A 20 2.173 -4.794 -3.881 1.00 0.00 C ATOM 278 CZ PHE A 20 1.710 -4.371 -5.111 1.00 0.00 C ATOM 0 H PHE A 20 -1.356 -0.863 -2.334 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.467 -3.610 -1.690 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.556 -1.393 -1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.908 -2.848 -0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.343 -1.903 -4.091 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.096 -4.510 -1.768 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.439 -2.999 -6.145 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.881 -5.608 -3.820 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.055 -4.852 -6.014 1.00 0.00 H new ATOM 288 N PHE A 21 -1.766 -1.525 0.789 1.00 0.00 N ATOM 289 CA PHE A 21 -2.044 -1.413 2.216 1.00 0.00 C ATOM 290 C PHE A 21 -3.453 -1.904 2.536 1.00 0.00 C ATOM 291 O PHE A 21 -3.686 -2.522 3.575 1.00 0.00 O ATOM 292 CB PHE A 21 -1.881 0.037 2.677 1.00 0.00 C ATOM 293 CG PHE A 21 -2.350 0.275 4.084 1.00 0.00 C ATOM 294 CD1 PHE A 21 -1.533 -0.030 5.161 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.607 0.804 4.330 1.00 0.00 C ATOM 296 CE1 PHE A 21 -1.962 0.188 6.457 1.00 0.00 C ATOM 297 CE2 PHE A 21 -4.040 1.025 5.623 1.00 0.00 C ATOM 298 CZ PHE A 21 -3.216 0.715 6.688 1.00 0.00 C ATOM 0 H PHE A 21 -1.865 -0.652 0.270 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.329 -2.040 2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.831 0.318 2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.436 0.689 2.002 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.550 -0.443 4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.256 1.046 3.501 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.316 -0.054 7.288 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.021 1.440 5.801 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.553 0.885 7.700 1.00 0.00 H new ATOM 308 N VAL A 22 -4.389 -1.625 1.635 1.00 0.00 N ATOM 309 CA VAL A 22 -5.775 -2.039 1.820 1.00 0.00 C ATOM 310 C VAL A 22 -5.934 -3.540 1.607 1.00 0.00 C ATOM 311 O VAL A 22 -6.652 -4.210 2.349 1.00 0.00 O ATOM 312 CB VAL A 22 -6.717 -1.293 0.856 1.00 0.00 C ATOM 313 CG1 VAL A 22 -8.054 -2.011 0.752 1.00 0.00 C ATOM 314 CG2 VAL A 22 -6.910 0.146 1.309 1.00 0.00 C ATOM 0 H VAL A 22 -4.213 -1.114 0.770 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.045 -1.790 2.846 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.261 -1.281 -0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.706 -1.469 0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.896 -3.023 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.520 -2.057 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.578 0.659 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.344 0.158 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.946 0.654 1.326 1.00 0.00 H new ATOM 324 N GLN A 23 -5.259 -4.062 0.587 1.00 0.00 N ATOM 325 CA GLN A 23 -5.326 -5.486 0.276 1.00 0.00 C ATOM 326 C GLN A 23 -4.846 -6.323 1.456 1.00 0.00 C ATOM 327 O GLN A 23 -5.409 -7.377 1.750 1.00 0.00 O ATOM 328 CB GLN A 23 -4.485 -5.798 -0.963 1.00 0.00 C ATOM 329 CG GLN A 23 -4.842 -7.120 -1.623 1.00 0.00 C ATOM 330 CD GLN A 23 -4.107 -8.296 -1.009 1.00 0.00 C ATOM 331 OE1 GLN A 23 -4.659 -9.025 -0.185 1.00 0.00 O ATOM 332 NE2 GLN A 23 -2.855 -8.486 -1.409 1.00 0.00 N ATOM 0 H GLN A 23 -4.660 -3.521 -0.037 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.366 -5.741 0.073 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.609 -4.994 -1.688 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -3.432 -5.814 -0.683 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.916 -7.285 -1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.609 -7.066 -2.686 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.438 -7.857 -2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.311 -9.261 -1.031 1.00 0.00 H new ATOM 341 N GLU A 24 -3.802 -5.849 2.127 1.00 0.00 N ATOM 342 CA GLU A 24 -3.245 -6.555 3.275 1.00 0.00 C ATOM 343 C GLU A 24 -4.073 -6.292 4.530 1.00 0.00 C ATOM 344 O GLU A 24 -3.675 -6.653 5.637 1.00 0.00 O ATOM 345 CB GLU A 24 -1.795 -6.132 3.509 1.00 0.00 C ATOM 346 CG GLU A 24 -0.828 -6.664 2.464 1.00 0.00 C ATOM 347 CD GLU A 24 -0.700 -8.174 2.504 1.00 0.00 C ATOM 348 OE1 GLU A 24 -0.468 -8.721 3.603 1.00 0.00 O ATOM 349 OE2 GLU A 24 -0.830 -8.810 1.437 1.00 0.00 O ATOM 0 H GLU A 24 -3.324 -4.978 1.895 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.273 -7.623 3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.741 -5.043 3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.479 -6.478 4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.164 -6.358 1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.153 -6.216 2.620 1.00 0.00 H new ATOM 356 N LYS A 25 -5.227 -5.660 4.348 1.00 0.00 N ATOM 357 CA LYS A 25 -6.114 -5.347 5.463 1.00 0.00 C ATOM 358 C LYS A 25 -7.488 -5.975 5.259 1.00 0.00 C ATOM 359 O LYS A 25 -8.218 -6.218 6.220 1.00 0.00 O ATOM 360 CB LYS A 25 -6.252 -3.831 5.622 1.00 0.00 C ATOM 361 CG LYS A 25 -4.987 -3.153 6.120 1.00 0.00 C ATOM 362 CD LYS A 25 -4.867 -3.237 7.632 1.00 0.00 C ATOM 363 CE LYS A 25 -3.522 -2.718 8.115 1.00 0.00 C ATOM 364 NZ LYS A 25 -2.483 -3.786 8.116 1.00 0.00 N ATOM 0 H LYS A 25 -5.571 -5.354 3.438 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.676 -5.763 6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.532 -3.398 4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.065 -3.620 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.117 -3.620 5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.988 -2.107 5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.668 -2.660 8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.995 -4.271 7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.198 -1.897 7.475 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.629 -2.314 9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.594 -3.405 8.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.802 -4.581 8.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.326 -4.119 7.143 1.00 0.00 H new ATOM 378 N ILE A 26 -7.832 -6.237 4.003 1.00 0.00 N ATOM 379 CA ILE A 26 -9.119 -6.839 3.674 1.00 0.00 C ATOM 380 C ILE A 26 -9.454 -7.977 4.632 1.00 0.00 C ATOM 381 O ILE A 26 -10.482 -7.969 5.310 1.00 0.00 O ATOM 382 CB ILE A 26 -9.136 -7.377 2.230 1.00 0.00 C ATOM 383 CG1 ILE A 26 -9.621 -6.294 1.266 1.00 0.00 C ATOM 384 CG2 ILE A 26 -10.019 -8.612 2.136 1.00 0.00 C ATOM 385 CD1 ILE A 26 -9.296 -6.585 -0.183 1.00 0.00 C ATOM 0 H ILE A 26 -7.238 -6.042 3.197 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.869 -6.054 3.770 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.121 -7.658 1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.700 -6.181 1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.172 -5.341 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.021 -8.981 1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.633 -9.386 2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.036 -8.355 2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.670 -5.775 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.216 -6.669 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.768 -7.521 -0.481 1.00 0.00 H new ATOM 397 N PRO A 27 -8.566 -8.980 4.694 1.00 0.00 N ATOM 398 CA PRO A 27 -8.744 -10.144 5.568 1.00 0.00 C ATOM 399 C PRO A 27 -8.592 -9.788 7.043 1.00 0.00 C ATOM 400 O PRO A 27 -9.078 -10.506 7.917 1.00 0.00 O ATOM 401 CB PRO A 27 -7.626 -11.092 5.129 1.00 0.00 C ATOM 402 CG PRO A 27 -6.581 -10.203 4.548 1.00 0.00 C ATOM 403 CD PRO A 27 -7.318 -9.056 3.915 1.00 0.00 C ATOM 0 HA PRO A 27 -9.743 -10.572 5.479 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.236 -11.662 5.972 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.984 -11.814 4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.897 -9.849 5.319 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.981 -10.736 3.810 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.748 -8.129 3.978 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.514 -9.239 2.859 1.00 0.00 H new ATOM 411 N GLU A 28 -7.916 -8.676 7.313 1.00 0.00 N ATOM 412 CA GLU A 28 -7.700 -8.228 8.683 1.00 0.00 C ATOM 413 C GLU A 28 -8.995 -7.694 9.291 1.00 0.00 C ATOM 414 O GLU A 28 -9.236 -7.836 10.491 1.00 0.00 O ATOM 415 CB GLU A 28 -6.620 -7.145 8.726 1.00 0.00 C ATOM 416 CG GLU A 28 -6.246 -6.712 10.134 1.00 0.00 C ATOM 417 CD GLU A 28 -5.237 -5.580 10.148 1.00 0.00 C ATOM 418 OE1 GLU A 28 -4.028 -5.860 10.012 1.00 0.00 O ATOM 419 OE2 GLU A 28 -5.658 -4.413 10.293 1.00 0.00 O ATOM 0 H GLU A 28 -7.509 -8.069 6.601 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.368 -9.085 9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.728 -7.513 8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.967 -6.275 8.168 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.145 -6.399 10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.837 -7.565 10.676 1.00 0.00 H new ATOM 426 N LEU A 29 -9.823 -7.078 8.455 1.00 0.00 N ATOM 427 CA LEU A 29 -11.093 -6.522 8.907 1.00 0.00 C ATOM 428 C LEU A 29 -12.160 -7.607 9.004 1.00 0.00 C ATOM 429 O LEU A 29 -12.871 -7.707 10.004 1.00 0.00 O ATOM 430 CB LEU A 29 -11.557 -5.417 7.957 1.00 0.00 C ATOM 431 CG LEU A 29 -10.675 -4.170 7.893 1.00 0.00 C ATOM 432 CD1 LEU A 29 -11.006 -3.344 6.661 1.00 0.00 C ATOM 433 CD2 LEU A 29 -10.838 -3.337 9.157 1.00 0.00 C ATOM 0 H LEU A 29 -9.638 -6.951 7.460 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.942 -6.098 9.900 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.631 -5.836 6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -12.561 -5.112 8.250 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.635 -4.487 7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.368 -2.461 6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.837 -3.942 5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.051 -3.036 6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.203 -2.453 9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.879 -3.030 9.259 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.549 -3.931 10.024 1.00 0.00 H new ATOM 445 N ARG A 30 -12.266 -8.420 7.958 1.00 0.00 N ATOM 446 CA ARG A 30 -13.245 -9.500 7.925 1.00 0.00 C ATOM 447 C ARG A 30 -13.350 -10.180 9.287 1.00 0.00 C ATOM 448 O ARG A 30 -14.449 -10.468 9.764 1.00 0.00 O ATOM 449 CB ARG A 30 -12.866 -10.528 6.857 1.00 0.00 C ATOM 450 CG ARG A 30 -13.373 -10.178 5.468 1.00 0.00 C ATOM 451 CD ARG A 30 -12.839 -11.144 4.421 1.00 0.00 C ATOM 452 NE ARG A 30 -13.717 -12.297 4.241 1.00 0.00 N ATOM 453 CZ ARG A 30 -14.938 -12.217 3.725 1.00 0.00 C ATOM 454 NH1 ARG A 30 -15.424 -11.045 3.339 1.00 0.00 N ATOM 455 NH2 ARG A 30 -15.677 -13.312 3.592 1.00 0.00 N ATOM 0 H ARG A 30 -11.686 -8.351 7.122 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.215 -9.070 7.677 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.781 -10.623 6.825 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.263 -11.502 7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.463 -10.198 5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.071 -9.162 5.215 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.726 -10.622 3.471 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.847 -11.486 4.716 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.374 -13.214 4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.860 -10.201 3.438 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.362 -10.987 2.943 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.307 -14.216 3.886 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.615 -13.249 3.196 1.00 0.00 H new ATOM 469 N ARG A 31 -12.203 -10.433 9.907 1.00 0.00 N ATOM 470 CA ARG A 31 -12.166 -11.080 11.213 1.00 0.00 C ATOM 471 C ARG A 31 -12.701 -10.149 12.297 1.00 0.00 C ATOM 472 O ARG A 31 -13.427 -10.577 13.194 1.00 0.00 O ATOM 473 CB ARG A 31 -10.738 -11.509 11.553 1.00 0.00 C ATOM 474 CG ARG A 31 -10.368 -12.879 11.012 1.00 0.00 C ATOM 475 CD ARG A 31 -9.161 -13.457 11.733 1.00 0.00 C ATOM 476 NE ARG A 31 -9.521 -14.043 13.022 1.00 0.00 N ATOM 477 CZ ARG A 31 -8.635 -14.362 13.958 1.00 0.00 C ATOM 478 NH1 ARG A 31 -7.343 -14.152 13.752 1.00 0.00 N ATOM 479 NH2 ARG A 31 -9.042 -14.892 15.105 1.00 0.00 N ATOM 0 H ARG A 31 -11.286 -10.200 9.526 1.00 0.00 H new ATOM 0 HA ARG A 31 -12.803 -11.963 11.171 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.042 -10.771 11.155 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.617 -11.511 12.636 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.216 -13.555 11.121 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.155 -12.804 9.946 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.695 -14.218 11.107 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.420 -12.672 11.886 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.508 -14.217 13.213 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.027 -13.744 12.872 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.665 -14.398 14.473 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.036 -15.054 15.268 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.361 -15.137 15.824 1.00 0.00 H new ATOM 493 N ARG A 32 -12.338 -8.874 12.206 1.00 0.00 N ATOM 494 CA ARG A 32 -12.780 -7.882 13.179 1.00 0.00 C ATOM 495 C ARG A 32 -14.303 -7.857 13.278 1.00 0.00 C ATOM 496 O ARG A 32 -14.862 -7.752 14.368 1.00 0.00 O ATOM 497 CB ARG A 32 -12.261 -6.495 12.798 1.00 0.00 C ATOM 498 CG ARG A 32 -10.791 -6.283 13.125 1.00 0.00 C ATOM 499 CD ARG A 32 -10.493 -4.823 13.430 1.00 0.00 C ATOM 500 NE ARG A 32 -11.068 -4.402 14.705 1.00 0.00 N ATOM 501 CZ ARG A 32 -10.922 -3.182 15.209 1.00 0.00 C ATOM 502 NH1 ARG A 32 -10.223 -2.268 14.550 1.00 0.00 N ATOM 503 NH2 ARG A 32 -11.475 -2.874 16.375 1.00 0.00 N ATOM 0 H ARG A 32 -11.739 -8.503 11.468 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.374 -8.160 14.152 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.413 -6.341 11.730 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.852 -5.740 13.316 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.515 -6.898 13.981 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.179 -6.613 12.285 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.414 -4.670 13.451 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.888 -4.197 12.630 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.611 -5.082 15.237 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.796 -2.501 13.654 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.113 -1.332 14.939 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.013 -3.575 16.885 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.362 -1.937 16.761 1.00 0.00 H new ATOM 517 N GLY A 33 -14.966 -7.956 12.129 1.00 0.00 N ATOM 518 CA GLY A 33 -16.417 -7.942 12.108 1.00 0.00 C ATOM 519 C GLY A 33 -16.974 -6.810 11.269 1.00 0.00 C ATOM 520 O GLY A 33 -17.937 -6.150 11.665 1.00 0.00 O ATOM 0 H GLY A 33 -14.524 -8.046 11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.781 -8.892 11.717 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.791 -7.852 13.128 1.00 0.00 H new ATOM 524 N LEU A 34 -16.368 -6.581 10.110 1.00 0.00 N ATOM 525 CA LEU A 34 -16.808 -5.519 9.213 1.00 0.00 C ATOM 526 C LEU A 34 -17.089 -6.065 7.816 1.00 0.00 C ATOM 527 O LEU A 34 -16.408 -6.968 7.328 1.00 0.00 O ATOM 528 CB LEU A 34 -15.750 -4.416 9.138 1.00 0.00 C ATOM 529 CG LEU A 34 -15.508 -3.630 10.427 1.00 0.00 C ATOM 530 CD1 LEU A 34 -14.287 -2.734 10.285 1.00 0.00 C ATOM 531 CD2 LEU A 34 -16.736 -2.807 10.788 1.00 0.00 C ATOM 0 H LEU A 34 -15.570 -7.117 9.769 1.00 0.00 H new ATOM 0 HA LEU A 34 -17.732 -5.102 9.612 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -14.807 -4.865 8.828 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.041 -3.714 8.357 1.00 0.00 H new ATOM 0 HG LEU A 34 -15.321 -4.340 11.233 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -14.131 -2.183 11.212 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -13.410 -3.345 10.074 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.445 -2.031 9.467 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -16.546 -2.254 11.708 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -16.954 -2.106 9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.589 -3.470 10.933 1.00 0.00 H new ATOM 543 N PRO A 35 -18.114 -5.505 7.157 1.00 0.00 N ATOM 544 CA PRO A 35 -18.505 -5.920 5.806 1.00 0.00 C ATOM 545 C PRO A 35 -17.478 -5.514 4.754 1.00 0.00 C ATOM 546 O PRO A 35 -17.576 -4.442 4.158 1.00 0.00 O ATOM 547 CB PRO A 35 -19.826 -5.180 5.578 1.00 0.00 C ATOM 548 CG PRO A 35 -19.753 -3.990 6.470 1.00 0.00 C ATOM 549 CD PRO A 35 -18.969 -4.426 7.677 1.00 0.00 C ATOM 0 HA PRO A 35 -18.586 -7.004 5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -19.940 -4.886 4.535 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -20.680 -5.809 5.827 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -19.264 -3.155 5.968 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -20.750 -3.652 6.753 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -18.378 -3.608 8.089 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -19.623 -4.780 8.474 1.00 0.00 H new ATOM 557 N VAL A 36 -16.494 -6.379 4.530 1.00 0.00 N ATOM 558 CA VAL A 36 -15.449 -6.110 3.549 1.00 0.00 C ATOM 559 C VAL A 36 -15.291 -7.279 2.583 1.00 0.00 C ATOM 560 O VAL A 36 -14.752 -8.325 2.941 1.00 0.00 O ATOM 561 CB VAL A 36 -14.097 -5.835 4.230 1.00 0.00 C ATOM 562 CG1 VAL A 36 -13.972 -4.363 4.595 1.00 0.00 C ATOM 563 CG2 VAL A 36 -13.931 -6.714 5.461 1.00 0.00 C ATOM 0 H VAL A 36 -16.398 -7.272 5.014 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.754 -5.222 2.995 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.300 -6.079 3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -13.009 -4.188 5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -14.042 -3.757 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.775 -4.088 5.280 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -12.969 -6.506 5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.733 -6.504 6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -13.972 -7.763 5.167 1.00 0.00 H new ATOM 573 N ALA A 37 -15.764 -7.093 1.355 1.00 0.00 N ATOM 574 CA ALA A 37 -15.672 -8.130 0.335 1.00 0.00 C ATOM 575 C ALA A 37 -14.435 -7.936 -0.535 1.00 0.00 C ATOM 576 O ALA A 37 -13.742 -8.897 -0.870 1.00 0.00 O ATOM 577 CB ALA A 37 -16.928 -8.140 -0.523 1.00 0.00 C ATOM 0 H ALA A 37 -16.215 -6.233 1.042 1.00 0.00 H new ATOM 0 HA ALA A 37 -15.582 -9.093 0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.845 -8.919 -1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.797 -8.336 0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.044 -7.172 -1.010 1.00 0.00 H new ATOM 583 N ARG A 38 -14.165 -6.688 -0.901 1.00 0.00 N ATOM 584 CA ARG A 38 -13.012 -6.368 -1.735 1.00 0.00 C ATOM 585 C ARG A 38 -12.333 -5.088 -1.258 1.00 0.00 C ATOM 586 O ARG A 38 -12.745 -4.488 -0.265 1.00 0.00 O ATOM 587 CB ARG A 38 -13.440 -6.216 -3.197 1.00 0.00 C ATOM 588 CG ARG A 38 -14.446 -5.099 -3.424 1.00 0.00 C ATOM 589 CD ARG A 38 -15.338 -5.388 -4.621 1.00 0.00 C ATOM 590 NE ARG A 38 -15.991 -4.182 -5.121 1.00 0.00 N ATOM 591 CZ ARG A 38 -16.987 -4.194 -6.000 1.00 0.00 C ATOM 592 NH1 ARG A 38 -17.442 -5.346 -6.473 1.00 0.00 N ATOM 593 NH2 ARG A 38 -17.530 -3.054 -6.406 1.00 0.00 N ATOM 0 H ARG A 38 -14.729 -5.881 -0.633 1.00 0.00 H new ATOM 0 HA ARG A 38 -12.299 -7.188 -1.655 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.557 -6.028 -3.808 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.871 -7.157 -3.540 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -15.061 -4.975 -2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -13.918 -4.158 -3.581 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.742 -5.834 -5.417 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -16.095 -6.120 -4.340 1.00 0.00 H new ATOM 0 HE ARG A 38 -15.664 -3.279 -4.776 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -17.027 -6.224 -6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -18.207 -5.354 -7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -17.183 -2.166 -6.043 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -18.295 -3.065 -7.081 1.00 0.00 H new ATOM 607 N VAL A 39 -11.290 -4.677 -1.971 1.00 0.00 N ATOM 608 CA VAL A 39 -10.554 -3.468 -1.620 1.00 0.00 C ATOM 609 C VAL A 39 -11.482 -2.261 -1.541 1.00 0.00 C ATOM 610 O VAL A 39 -11.476 -1.523 -0.557 1.00 0.00 O ATOM 611 CB VAL A 39 -9.436 -3.175 -2.639 1.00 0.00 C ATOM 612 CG1 VAL A 39 -8.856 -1.788 -2.412 1.00 0.00 C ATOM 613 CG2 VAL A 39 -8.350 -4.238 -2.557 1.00 0.00 C ATOM 0 H VAL A 39 -10.935 -5.163 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.108 -3.644 -0.641 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.864 -3.202 -3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.068 -1.599 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.642 -1.042 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.441 -1.727 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.568 -4.016 -3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.923 -4.245 -1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.780 -5.215 -2.775 1.00 0.00 H new ATOM 623 N ALA A 40 -12.282 -2.068 -2.585 1.00 0.00 N ATOM 624 CA ALA A 40 -13.219 -0.953 -2.633 1.00 0.00 C ATOM 625 C ALA A 40 -14.002 -0.837 -1.331 1.00 0.00 C ATOM 626 O ALA A 40 -14.431 0.252 -0.948 1.00 0.00 O ATOM 627 CB ALA A 40 -14.170 -1.113 -3.811 1.00 0.00 C ATOM 0 H ALA A 40 -12.300 -2.670 -3.409 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.646 -0.035 -2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.864 -0.273 -3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.599 -1.138 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.729 -2.043 -3.704 1.00 0.00 H new ATOM 633 N ASP A 41 -14.185 -1.965 -0.653 1.00 0.00 N ATOM 634 CA ASP A 41 -14.916 -1.990 0.608 1.00 0.00 C ATOM 635 C ASP A 41 -13.999 -1.634 1.775 1.00 0.00 C ATOM 636 O ASP A 41 -14.379 -0.876 2.667 1.00 0.00 O ATOM 637 CB ASP A 41 -15.539 -3.368 0.834 1.00 0.00 C ATOM 638 CG ASP A 41 -16.829 -3.554 0.058 1.00 0.00 C ATOM 639 OD1 ASP A 41 -16.782 -3.505 -1.188 1.00 0.00 O ATOM 640 OD2 ASP A 41 -17.884 -3.749 0.698 1.00 0.00 O ATOM 0 H ASP A 41 -13.837 -2.874 -0.956 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.711 -1.246 0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.827 -4.139 0.539 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.735 -3.505 1.897 1.00 0.00 H new ATOM 645 N ALA A 42 -12.792 -2.189 1.761 1.00 0.00 N ATOM 646 CA ALA A 42 -11.821 -1.931 2.818 1.00 0.00 C ATOM 647 C ALA A 42 -11.070 -0.627 2.567 1.00 0.00 C ATOM 648 O ALA A 42 -10.113 -0.306 3.271 1.00 0.00 O ATOM 649 CB ALA A 42 -10.844 -3.092 2.932 1.00 0.00 C ATOM 0 H ALA A 42 -12.463 -2.820 1.030 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.362 -1.833 3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.125 -2.886 3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.390 -4.006 3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.316 -3.217 1.987 1.00 0.00 H new ATOM 655 N ILE A 43 -11.511 0.119 1.558 1.00 0.00 N ATOM 656 CA ILE A 43 -10.880 1.387 1.216 1.00 0.00 C ATOM 657 C ILE A 43 -11.097 2.424 2.313 1.00 0.00 C ATOM 658 O ILE A 43 -10.152 2.960 2.890 1.00 0.00 O ATOM 659 CB ILE A 43 -11.420 1.942 -0.115 1.00 0.00 C ATOM 660 CG1 ILE A 43 -10.566 1.450 -1.284 1.00 0.00 C ATOM 661 CG2 ILE A 43 -11.453 3.463 -0.080 1.00 0.00 C ATOM 662 CD1 ILE A 43 -11.006 1.991 -2.626 1.00 0.00 C ATOM 0 H ILE A 43 -12.301 -0.133 0.965 1.00 0.00 H new ATOM 0 HA ILE A 43 -9.813 1.191 1.113 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.438 1.578 -0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.528 1.734 -1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.598 0.361 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.837 3.841 -1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.101 3.794 0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.445 3.845 0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -10.355 1.600 -3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.033 1.685 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.947 3.079 -2.616 1.00 0.00 H new ATOM 674 N PRO A 44 -12.374 2.713 2.609 1.00 0.00 N ATOM 675 CA PRO A 44 -12.746 3.685 3.641 1.00 0.00 C ATOM 676 C PRO A 44 -12.429 3.189 5.046 1.00 0.00 C ATOM 677 O PRO A 44 -11.931 3.941 5.884 1.00 0.00 O ATOM 678 CB PRO A 44 -14.258 3.837 3.455 1.00 0.00 C ATOM 679 CG PRO A 44 -14.693 2.557 2.830 1.00 0.00 C ATOM 680 CD PRO A 44 -13.551 2.111 1.961 1.00 0.00 C ATOM 0 HA PRO A 44 -12.194 4.619 3.539 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.760 4.003 4.408 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.495 4.689 2.818 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.920 1.809 3.590 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.599 2.699 2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.476 1.024 1.922 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.667 2.460 0.935 1.00 0.00 H new ATOM 688 N TYR A 45 -12.720 1.918 5.300 1.00 0.00 N ATOM 689 CA TYR A 45 -12.467 1.322 6.607 1.00 0.00 C ATOM 690 C TYR A 45 -10.989 1.412 6.970 1.00 0.00 C ATOM 691 O TYR A 45 -10.602 1.159 8.111 1.00 0.00 O ATOM 692 CB TYR A 45 -12.918 -0.140 6.619 1.00 0.00 C ATOM 693 CG TYR A 45 -14.398 -0.320 6.366 1.00 0.00 C ATOM 694 CD1 TYR A 45 -15.341 0.352 7.134 1.00 0.00 C ATOM 695 CD2 TYR A 45 -14.854 -1.160 5.357 1.00 0.00 C ATOM 696 CE1 TYR A 45 -16.694 0.191 6.907 1.00 0.00 C ATOM 697 CE2 TYR A 45 -16.205 -1.326 5.122 1.00 0.00 C ATOM 698 CZ TYR A 45 -17.121 -0.650 5.900 1.00 0.00 C ATOM 699 OH TYR A 45 -18.468 -0.811 5.670 1.00 0.00 O ATOM 0 H TYR A 45 -13.131 1.280 4.618 1.00 0.00 H new ATOM 0 HA TYR A 45 -13.039 1.879 7.349 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.359 -0.690 5.862 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.667 -0.581 7.584 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.010 1.012 7.922 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -14.140 -1.692 4.746 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -17.413 0.720 7.514 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -16.542 -1.982 4.333 1.00 0.00 H new ATOM 0 HH TYR A 45 -18.602 -1.233 4.796 1.00 0.00 H new ATOM 709 N CYS A 46 -10.167 1.776 5.992 1.00 0.00 N ATOM 710 CA CYS A 46 -8.730 1.901 6.207 1.00 0.00 C ATOM 711 C CYS A 46 -8.218 3.242 5.693 1.00 0.00 C ATOM 712 O CYS A 46 -7.019 3.418 5.474 1.00 0.00 O ATOM 713 CB CYS A 46 -7.988 0.758 5.513 1.00 0.00 C ATOM 714 SG CYS A 46 -8.006 -0.799 6.433 1.00 0.00 S ATOM 0 H CYS A 46 -10.471 1.990 5.042 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.542 1.848 7.279 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -8.433 0.593 4.532 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.953 1.058 5.348 1.00 0.00 H new ATOM 0 HG CYS A 46 -8.175 -1.789 5.607 1.00 0.00 H new ATOM 720 N SER A 47 -9.134 4.186 5.500 1.00 0.00 N ATOM 721 CA SER A 47 -8.776 5.510 5.005 1.00 0.00 C ATOM 722 C SER A 47 -8.003 6.294 6.061 1.00 0.00 C ATOM 723 O SER A 47 -6.989 6.925 5.764 1.00 0.00 O ATOM 724 CB SER A 47 -10.032 6.283 4.597 1.00 0.00 C ATOM 725 OG SER A 47 -10.859 6.538 5.719 1.00 0.00 O ATOM 0 H SER A 47 -10.130 4.058 5.679 1.00 0.00 H new ATOM 0 HA SER A 47 -8.137 5.383 4.131 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.747 7.225 4.129 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.588 5.713 3.853 1.00 0.00 H new ATOM 0 HG SER A 47 -11.337 5.719 5.966 1.00 0.00 H new ATOM 731 N SER A 48 -8.491 6.248 7.297 1.00 0.00 N ATOM 732 CA SER A 48 -7.849 6.956 8.398 1.00 0.00 C ATOM 733 C SER A 48 -6.564 6.251 8.822 1.00 0.00 C ATOM 734 O SER A 48 -5.555 6.896 9.109 1.00 0.00 O ATOM 735 CB SER A 48 -8.804 7.061 9.590 1.00 0.00 C ATOM 736 OG SER A 48 -9.792 8.053 9.365 1.00 0.00 O ATOM 0 H SER A 48 -9.328 5.728 7.560 1.00 0.00 H new ATOM 0 HA SER A 48 -7.596 7.959 8.054 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.284 6.097 9.762 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.241 7.302 10.492 1.00 0.00 H new ATOM 0 HG SER A 48 -10.391 8.100 10.139 1.00 0.00 H new ATOM 742 N ASP A 49 -6.610 4.925 8.860 1.00 0.00 N ATOM 743 CA ASP A 49 -5.450 4.131 9.249 1.00 0.00 C ATOM 744 C ASP A 49 -4.264 4.418 8.334 1.00 0.00 C ATOM 745 O ASP A 49 -3.116 4.446 8.778 1.00 0.00 O ATOM 746 CB ASP A 49 -5.789 2.640 9.212 1.00 0.00 C ATOM 747 CG ASP A 49 -7.081 2.322 9.938 1.00 0.00 C ATOM 748 OD1 ASP A 49 -8.115 2.937 9.606 1.00 0.00 O ATOM 749 OD2 ASP A 49 -7.057 1.460 10.841 1.00 0.00 O ATOM 0 H ASP A 49 -7.438 4.376 8.626 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.176 4.408 10.267 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.869 2.314 8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.974 2.074 9.662 1.00 0.00 H new ATOM 754 N TRP A 50 -4.549 4.629 7.053 1.00 0.00 N ATOM 755 CA TRP A 50 -3.506 4.913 6.075 1.00 0.00 C ATOM 756 C TRP A 50 -2.832 6.249 6.369 1.00 0.00 C ATOM 757 O TRP A 50 -1.619 6.390 6.215 1.00 0.00 O ATOM 758 CB TRP A 50 -4.091 4.922 4.662 1.00 0.00 C ATOM 759 CG TRP A 50 -3.126 5.402 3.621 1.00 0.00 C ATOM 760 CD1 TRP A 50 -3.160 6.596 2.959 1.00 0.00 C ATOM 761 CD2 TRP A 50 -1.983 4.698 3.123 1.00 0.00 C ATOM 762 NE1 TRP A 50 -2.108 6.677 2.079 1.00 0.00 N ATOM 763 CE2 TRP A 50 -1.370 5.525 2.161 1.00 0.00 C ATOM 764 CE3 TRP A 50 -1.416 3.450 3.397 1.00 0.00 C ATOM 765 CZ2 TRP A 50 -0.222 5.142 1.474 1.00 0.00 C ATOM 766 CZ3 TRP A 50 -0.276 3.071 2.714 1.00 0.00 C ATOM 767 CH2 TRP A 50 0.312 3.915 1.762 1.00 0.00 C ATOM 0 H TRP A 50 -5.494 4.609 6.668 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.755 4.126 6.144 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.418 3.914 4.406 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -4.976 5.558 4.647 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -3.905 7.364 3.106 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -1.909 7.466 1.464 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -1.861 2.793 4.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.232 5.790 0.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 0.169 2.108 2.917 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.204 3.591 1.246 1.00 0.00 H new ATOM 778 N ALA A 51 -3.626 7.226 6.793 1.00 0.00 N ATOM 779 CA ALA A 51 -3.106 8.551 7.109 1.00 0.00 C ATOM 780 C ALA A 51 -2.235 8.513 8.361 1.00 0.00 C ATOM 781 O ALA A 51 -1.532 9.475 8.670 1.00 0.00 O ATOM 782 CB ALA A 51 -4.250 9.538 7.291 1.00 0.00 C ATOM 0 H ALA A 51 -4.632 7.125 6.926 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.486 8.880 6.275 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.847 10.523 7.527 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.832 9.595 6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.892 9.204 8.106 1.00 0.00 H new ATOM 788 N LEU A 52 -2.286 7.395 9.078 1.00 0.00 N ATOM 789 CA LEU A 52 -1.502 7.232 10.297 1.00 0.00 C ATOM 790 C LEU A 52 -0.098 6.725 9.978 1.00 0.00 C ATOM 791 O LEU A 52 0.831 6.904 10.766 1.00 0.00 O ATOM 792 CB LEU A 52 -2.201 6.262 11.251 1.00 0.00 C ATOM 793 CG LEU A 52 -3.567 6.705 11.777 1.00 0.00 C ATOM 794 CD1 LEU A 52 -4.262 5.558 12.492 1.00 0.00 C ATOM 795 CD2 LEU A 52 -3.417 7.903 12.705 1.00 0.00 C ATOM 0 H LEU A 52 -2.862 6.589 8.836 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.417 8.207 10.777 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.323 5.307 10.741 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.545 6.087 12.104 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.183 7.002 10.928 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.232 5.893 12.859 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.403 4.729 11.799 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.650 5.229 13.332 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.398 8.205 13.070 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.783 7.632 13.549 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.962 8.730 12.160 1.00 0.00 H new ATOM 807 N LEU A 53 0.048 6.096 8.818 1.00 0.00 N ATOM 808 CA LEU A 53 1.339 5.565 8.392 1.00 0.00 C ATOM 809 C LEU A 53 2.370 6.682 8.265 1.00 0.00 C ATOM 810 O LEU A 53 2.019 7.851 8.109 1.00 0.00 O ATOM 811 CB LEU A 53 1.196 4.832 7.057 1.00 0.00 C ATOM 812 CG LEU A 53 0.787 3.361 7.140 1.00 0.00 C ATOM 813 CD1 LEU A 53 0.088 2.929 5.860 1.00 0.00 C ATOM 814 CD2 LEU A 53 2.001 2.484 7.408 1.00 0.00 C ATOM 0 H LEU A 53 -0.711 5.941 8.155 1.00 0.00 H new ATOM 0 HA LEU A 53 1.684 4.861 9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.458 5.360 6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.146 4.895 6.527 1.00 0.00 H new ATOM 0 HG LEU A 53 0.089 3.244 7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.196 1.879 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.805 3.536 5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.763 3.061 5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.691 1.441 7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.723 2.605 6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.460 2.777 8.352 1.00 0.00 H new ATOM 826 N ARG A 54 3.645 6.311 8.330 1.00 0.00 N ATOM 827 CA ARG A 54 4.728 7.281 8.220 1.00 0.00 C ATOM 828 C ARG A 54 5.193 7.418 6.774 1.00 0.00 C ATOM 829 O ARG A 54 5.017 6.505 5.968 1.00 0.00 O ATOM 830 CB ARG A 54 5.904 6.866 9.108 1.00 0.00 C ATOM 831 CG ARG A 54 5.490 6.441 10.507 1.00 0.00 C ATOM 832 CD ARG A 54 5.472 7.621 11.466 1.00 0.00 C ATOM 833 NE ARG A 54 4.287 8.455 11.287 1.00 0.00 N ATOM 834 CZ ARG A 54 3.099 8.164 11.805 1.00 0.00 C ATOM 835 NH1 ARG A 54 2.939 7.066 12.531 1.00 0.00 N ATOM 836 NH2 ARG A 54 2.067 8.972 11.597 1.00 0.00 N ATOM 0 H ARG A 54 3.953 5.347 8.458 1.00 0.00 H new ATOM 0 HA ARG A 54 4.351 8.248 8.554 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.437 6.044 8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.604 7.698 9.182 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.501 5.984 10.472 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.179 5.681 10.876 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.505 7.255 12.492 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.366 8.225 11.314 1.00 0.00 H new ATOM 0 HE ARG A 54 4.376 9.307 10.734 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.729 6.442 12.693 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.025 6.845 12.927 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.186 9.817 11.039 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.155 8.748 11.995 1.00 0.00 H new ATOM 850 N GLU A 55 5.785 8.563 6.453 1.00 0.00 N ATOM 851 CA GLU A 55 6.274 8.818 5.102 1.00 0.00 C ATOM 852 C GLU A 55 7.069 7.627 4.578 1.00 0.00 C ATOM 853 O GLU A 55 6.866 7.180 3.449 1.00 0.00 O ATOM 854 CB GLU A 55 7.144 10.077 5.080 1.00 0.00 C ATOM 855 CG GLU A 55 6.349 11.365 4.950 1.00 0.00 C ATOM 856 CD GLU A 55 7.163 12.496 4.354 1.00 0.00 C ATOM 857 OE1 GLU A 55 8.128 12.943 5.008 1.00 0.00 O ATOM 858 OE2 GLU A 55 6.835 12.934 3.231 1.00 0.00 O ATOM 0 H GLU A 55 5.938 9.329 7.109 1.00 0.00 H new ATOM 0 HA GLU A 55 5.412 8.970 4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.735 10.116 5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.846 10.008 4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.473 11.185 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.985 11.663 5.933 1.00 0.00 H new ATOM 865 N GLU A 56 7.977 7.117 5.405 1.00 0.00 N ATOM 866 CA GLU A 56 8.804 5.979 5.024 1.00 0.00 C ATOM 867 C GLU A 56 7.939 4.786 4.628 1.00 0.00 C ATOM 868 O GLU A 56 8.191 4.133 3.615 1.00 0.00 O ATOM 869 CB GLU A 56 9.735 5.588 6.174 1.00 0.00 C ATOM 870 CG GLU A 56 10.836 6.601 6.436 1.00 0.00 C ATOM 871 CD GLU A 56 12.050 5.984 7.104 1.00 0.00 C ATOM 872 OE1 GLU A 56 11.932 5.553 8.270 1.00 0.00 O ATOM 873 OE2 GLU A 56 13.117 5.931 6.458 1.00 0.00 O ATOM 0 H GLU A 56 8.158 7.474 6.343 1.00 0.00 H new ATOM 0 HA GLU A 56 9.405 6.272 4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.145 5.462 7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.187 4.622 5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.137 7.057 5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.446 7.401 7.066 1.00 0.00 H new ATOM 880 N GLU A 57 6.919 4.508 5.434 1.00 0.00 N ATOM 881 CA GLU A 57 6.017 3.393 5.169 1.00 0.00 C ATOM 882 C GLU A 57 5.330 3.559 3.816 1.00 0.00 C ATOM 883 O GLU A 57 5.396 2.677 2.960 1.00 0.00 O ATOM 884 CB GLU A 57 4.968 3.281 6.276 1.00 0.00 C ATOM 885 CG GLU A 57 5.562 3.211 7.672 1.00 0.00 C ATOM 886 CD GLU A 57 6.762 2.286 7.751 1.00 0.00 C ATOM 887 OE1 GLU A 57 6.586 1.069 7.534 1.00 0.00 O ATOM 888 OE2 GLU A 57 7.875 2.779 8.028 1.00 0.00 O ATOM 0 H GLU A 57 6.697 5.039 6.276 1.00 0.00 H new ATOM 0 HA GLU A 57 6.609 2.478 5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.298 4.139 6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.363 2.391 6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.858 4.212 7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.798 2.870 8.371 1.00 0.00 H new ATOM 895 N LYS A 58 4.670 4.698 3.631 1.00 0.00 N ATOM 896 CA LYS A 58 3.969 4.983 2.385 1.00 0.00 C ATOM 897 C LYS A 58 4.881 4.751 1.184 1.00 0.00 C ATOM 898 O LYS A 58 4.488 4.110 0.210 1.00 0.00 O ATOM 899 CB LYS A 58 3.460 6.426 2.380 1.00 0.00 C ATOM 900 CG LYS A 58 2.685 6.800 3.631 1.00 0.00 C ATOM 901 CD LYS A 58 1.888 8.079 3.432 1.00 0.00 C ATOM 902 CE LYS A 58 0.815 8.240 4.498 1.00 0.00 C ATOM 903 NZ LYS A 58 1.333 8.947 5.702 1.00 0.00 N ATOM 0 H LYS A 58 4.606 5.439 4.329 1.00 0.00 H new ATOM 0 HA LYS A 58 3.119 4.305 2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.309 7.102 2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.822 6.575 1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.010 5.987 3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.376 6.927 4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.561 8.936 3.460 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.424 8.070 2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.027 8.795 4.085 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.439 7.258 4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.631 9.644 6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.510 8.257 6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.220 9.434 5.463 1.00 0.00 H new ATOM 917 N GLU A 59 6.100 5.275 1.261 1.00 0.00 N ATOM 918 CA GLU A 59 7.067 5.124 0.180 1.00 0.00 C ATOM 919 C GLU A 59 7.340 3.649 -0.103 1.00 0.00 C ATOM 920 O GLU A 59 7.319 3.211 -1.254 1.00 0.00 O ATOM 921 CB GLU A 59 8.374 5.838 0.531 1.00 0.00 C ATOM 922 CG GLU A 59 9.126 6.360 -0.682 1.00 0.00 C ATOM 923 CD GLU A 59 8.347 7.414 -1.443 1.00 0.00 C ATOM 924 OE1 GLU A 59 7.957 8.427 -0.824 1.00 0.00 O ATOM 925 OE2 GLU A 59 8.127 7.229 -2.658 1.00 0.00 O ATOM 0 H GLU A 59 6.442 5.808 2.061 1.00 0.00 H new ATOM 0 HA GLU A 59 6.644 5.576 -0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.155 6.671 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.018 5.151 1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.079 6.780 -0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.353 5.529 -1.350 1.00 0.00 H new ATOM 932 N LYS A 60 7.598 2.889 0.956 1.00 0.00 N ATOM 933 CA LYS A 60 7.875 1.463 0.823 1.00 0.00 C ATOM 934 C LYS A 60 6.758 0.758 0.061 1.00 0.00 C ATOM 935 O LYS A 60 7.009 0.050 -0.914 1.00 0.00 O ATOM 936 CB LYS A 60 8.044 0.825 2.205 1.00 0.00 C ATOM 937 CG LYS A 60 7.859 -0.682 2.206 1.00 0.00 C ATOM 938 CD LYS A 60 7.801 -1.236 3.620 1.00 0.00 C ATOM 939 CE LYS A 60 6.377 -1.257 4.153 1.00 0.00 C ATOM 940 NZ LYS A 60 6.342 -1.378 5.637 1.00 0.00 N ATOM 0 H LYS A 60 7.621 3.236 1.915 1.00 0.00 H new ATOM 0 HA LYS A 60 8.801 1.350 0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.038 1.061 2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.325 1.271 2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.941 -0.937 1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.680 -1.151 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.210 -2.246 3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.427 -0.630 4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.863 -0.345 3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.835 -2.091 3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.432 -1.788 5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.118 -1.994 5.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.452 -0.436 6.065 1.00 0.00 H new ATOM 954 N TYR A 61 5.523 0.960 0.510 1.00 0.00 N ATOM 955 CA TYR A 61 4.368 0.344 -0.131 1.00 0.00 C ATOM 956 C TYR A 61 4.293 0.727 -1.605 1.00 0.00 C ATOM 957 O TYR A 61 4.006 -0.109 -2.461 1.00 0.00 O ATOM 958 CB TYR A 61 3.080 0.763 0.582 1.00 0.00 C ATOM 959 CG TYR A 61 2.742 -0.099 1.778 1.00 0.00 C ATOM 960 CD1 TYR A 61 2.039 -1.288 1.625 1.00 0.00 C ATOM 961 CD2 TYR A 61 3.127 0.274 3.059 1.00 0.00 C ATOM 962 CE1 TYR A 61 1.727 -2.077 2.714 1.00 0.00 C ATOM 963 CE2 TYR A 61 2.821 -0.510 4.155 1.00 0.00 C ATOM 964 CZ TYR A 61 2.120 -1.685 3.976 1.00 0.00 C ATOM 965 OH TYR A 61 1.813 -2.470 5.063 1.00 0.00 O ATOM 0 H TYR A 61 5.297 1.545 1.314 1.00 0.00 H new ATOM 0 HA TYR A 61 4.480 -0.738 -0.061 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.175 1.799 0.907 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.253 0.726 -0.127 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.732 -1.600 0.638 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.675 1.193 3.201 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.178 -2.997 2.578 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.128 -0.205 5.145 1.00 0.00 H new ATOM 0 HH TYR A 61 2.163 -2.052 5.878 1.00 0.00 H new ATOM 975 N ALA A 62 4.555 1.998 -1.894 1.00 0.00 N ATOM 976 CA ALA A 62 4.521 2.492 -3.265 1.00 0.00 C ATOM 977 C ALA A 62 5.614 1.847 -4.109 1.00 0.00 C ATOM 978 O ALA A 62 5.373 1.431 -5.242 1.00 0.00 O ATOM 979 CB ALA A 62 4.662 4.008 -3.283 1.00 0.00 C ATOM 0 H ALA A 62 4.793 2.704 -1.197 1.00 0.00 H new ATOM 0 HA ALA A 62 3.558 2.222 -3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.635 4.364 -4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.842 4.456 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.610 4.291 -2.826 1.00 0.00 H new ATOM 985 N GLU A 63 6.819 1.768 -3.550 1.00 0.00 N ATOM 986 CA GLU A 63 7.949 1.174 -4.253 1.00 0.00 C ATOM 987 C GLU A 63 7.652 -0.272 -4.638 1.00 0.00 C ATOM 988 O GLU A 63 7.823 -0.666 -5.791 1.00 0.00 O ATOM 989 CB GLU A 63 9.207 1.234 -3.384 1.00 0.00 C ATOM 990 CG GLU A 63 9.982 2.533 -3.523 1.00 0.00 C ATOM 991 CD GLU A 63 11.184 2.598 -2.602 1.00 0.00 C ATOM 992 OE1 GLU A 63 11.022 2.323 -1.394 1.00 0.00 O ATOM 993 OE2 GLU A 63 12.288 2.921 -3.088 1.00 0.00 O ATOM 0 H GLU A 63 7.036 2.108 -2.613 1.00 0.00 H new ATOM 0 HA GLU A 63 8.118 1.747 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.924 1.100 -2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.860 0.402 -3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.314 2.645 -4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.319 3.371 -3.309 1.00 0.00 H new ATOM 1000 N MET A 64 7.206 -1.059 -3.663 1.00 0.00 N ATOM 1001 CA MET A 64 6.885 -2.461 -3.900 1.00 0.00 C ATOM 1002 C MET A 64 5.760 -2.596 -4.922 1.00 0.00 C ATOM 1003 O MET A 64 5.734 -3.542 -5.710 1.00 0.00 O ATOM 1004 CB MET A 64 6.483 -3.142 -2.591 1.00 0.00 C ATOM 1005 CG MET A 64 5.121 -2.708 -2.073 1.00 0.00 C ATOM 1006 SD MET A 64 4.443 -3.855 -0.858 1.00 0.00 S ATOM 1007 CE MET A 64 5.260 -3.293 0.634 1.00 0.00 C ATOM 0 H MET A 64 7.059 -0.749 -2.702 1.00 0.00 H new ATOM 0 HA MET A 64 7.775 -2.949 -4.298 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.479 -4.222 -2.739 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.236 -2.927 -1.833 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.206 -1.718 -1.625 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.429 -2.621 -2.911 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.585 -4.154 1.217 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.126 -2.687 0.368 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.567 -2.695 1.225 1.00 0.00 H new ATOM 1017 N ALA A 65 4.833 -1.643 -4.905 1.00 0.00 N ATOM 1018 CA ALA A 65 3.707 -1.657 -5.831 1.00 0.00 C ATOM 1019 C ALA A 65 4.179 -1.472 -7.269 1.00 0.00 C ATOM 1020 O ALA A 65 3.949 -2.330 -8.123 1.00 0.00 O ATOM 1021 CB ALA A 65 2.706 -0.573 -5.459 1.00 0.00 C ATOM 0 H ALA A 65 4.840 -0.852 -4.261 1.00 0.00 H new ATOM 0 HA ALA A 65 3.218 -2.629 -5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.870 -0.594 -6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.338 -0.749 -4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.192 0.402 -5.504 1.00 0.00 H new ATOM 1027 N ARG A 66 4.838 -0.348 -7.532 1.00 0.00 N ATOM 1028 CA ARG A 66 5.340 -0.051 -8.868 1.00 0.00 C ATOM 1029 C ARG A 66 6.331 -1.117 -9.326 1.00 0.00 C ATOM 1030 O ARG A 66 6.145 -1.743 -10.370 1.00 0.00 O ATOM 1031 CB ARG A 66 6.008 1.324 -8.891 1.00 0.00 C ATOM 1032 CG ARG A 66 7.093 1.492 -7.839 1.00 0.00 C ATOM 1033 CD ARG A 66 7.419 2.959 -7.605 1.00 0.00 C ATOM 1034 NE ARG A 66 8.484 3.430 -8.486 1.00 0.00 N ATOM 1035 CZ ARG A 66 9.758 3.074 -8.356 1.00 0.00 C ATOM 1036 NH1 ARG A 66 10.121 2.246 -7.386 1.00 0.00 N ATOM 1037 NH2 ARG A 66 10.670 3.545 -9.197 1.00 0.00 N ATOM 0 H ARG A 66 5.037 0.372 -6.837 1.00 0.00 H new ATOM 0 HA ARG A 66 4.493 -0.048 -9.554 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.441 1.492 -9.877 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.248 2.091 -8.742 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.768 1.037 -6.904 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.993 0.964 -8.155 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.524 3.559 -7.766 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.717 3.103 -6.567 1.00 0.00 H new ATOM 0 HE ARG A 66 8.237 4.067 -9.243 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.422 1.881 -6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.099 1.974 -7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.394 4.181 -9.945 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.647 3.271 -9.096 1.00 0.00 H new ATOM 1051 N GLU A 67 7.384 -1.317 -8.539 1.00 0.00 N ATOM 1052 CA GLU A 67 8.403 -2.307 -8.865 1.00 0.00 C ATOM 1053 C GLU A 67 7.771 -3.662 -9.169 1.00 0.00 C ATOM 1054 O GLU A 67 8.255 -4.408 -10.019 1.00 0.00 O ATOM 1055 CB GLU A 67 9.400 -2.445 -7.712 1.00 0.00 C ATOM 1056 CG GLU A 67 10.193 -1.178 -7.440 1.00 0.00 C ATOM 1057 CD GLU A 67 11.218 -0.887 -8.519 1.00 0.00 C ATOM 1058 OE1 GLU A 67 10.811 -0.631 -9.671 1.00 0.00 O ATOM 1059 OE2 GLU A 67 12.428 -0.918 -8.211 1.00 0.00 O ATOM 0 H GLU A 67 7.553 -0.807 -7.672 1.00 0.00 H new ATOM 0 HA GLU A 67 8.931 -1.965 -9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.861 -2.727 -6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.093 -3.256 -7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.507 -0.335 -7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.699 -1.270 -6.479 1.00 0.00 H new ATOM 1066 N TRP A 68 6.686 -3.971 -8.468 1.00 0.00 N ATOM 1067 CA TRP A 68 5.986 -5.236 -8.662 1.00 0.00 C ATOM 1068 C TRP A 68 5.310 -5.281 -10.028 1.00 0.00 C ATOM 1069 O TRP A 68 5.510 -6.220 -10.798 1.00 0.00 O ATOM 1070 CB TRP A 68 4.947 -5.442 -7.558 1.00 0.00 C ATOM 1071 CG TRP A 68 4.110 -6.670 -7.751 1.00 0.00 C ATOM 1072 CD1 TRP A 68 4.504 -7.966 -7.576 1.00 0.00 C ATOM 1073 CD2 TRP A 68 2.739 -6.718 -8.158 1.00 0.00 C ATOM 1074 NE1 TRP A 68 3.461 -8.816 -7.850 1.00 0.00 N ATOM 1075 CE2 TRP A 68 2.366 -8.076 -8.209 1.00 0.00 C ATOM 1076 CE3 TRP A 68 1.788 -5.746 -8.484 1.00 0.00 C ATOM 1077 CZ2 TRP A 68 1.084 -8.482 -8.572 1.00 0.00 C ATOM 1078 CZ3 TRP A 68 0.518 -6.151 -8.844 1.00 0.00 C ATOM 1079 CH2 TRP A 68 0.175 -7.509 -8.885 1.00 0.00 C ATOM 0 H TRP A 68 6.272 -3.364 -7.761 1.00 0.00 H new ATOM 0 HA TRP A 68 6.721 -6.040 -8.615 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.457 -5.506 -6.597 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.295 -4.570 -7.515 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.491 -8.277 -7.267 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.496 -9.834 -7.795 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.042 -4.697 -8.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.817 -9.528 -8.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -0.224 -5.408 -9.098 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.827 -7.793 -9.169 1.00 0.00 H new ATOM 1090 N ARG A 69 4.510 -4.261 -10.321 1.00 0.00 N ATOM 1091 CA ARG A 69 3.805 -4.186 -11.595 1.00 0.00 C ATOM 1092 C ARG A 69 4.789 -4.156 -12.761 1.00 0.00 C ATOM 1093 O ARG A 69 4.574 -4.806 -13.783 1.00 0.00 O ATOM 1094 CB ARG A 69 2.913 -2.944 -11.636 1.00 0.00 C ATOM 1095 CG ARG A 69 1.618 -3.098 -10.855 1.00 0.00 C ATOM 1096 CD ARG A 69 0.726 -1.876 -11.008 1.00 0.00 C ATOM 1097 NE ARG A 69 1.247 -0.724 -10.279 1.00 0.00 N ATOM 1098 CZ ARG A 69 2.159 0.108 -10.772 1.00 0.00 C ATOM 1099 NH1 ARG A 69 2.647 -0.085 -11.990 1.00 0.00 N ATOM 1100 NH2 ARG A 69 2.583 1.135 -10.046 1.00 0.00 N ATOM 0 H ARG A 69 4.334 -3.476 -9.694 1.00 0.00 H new ATOM 0 HA ARG A 69 3.183 -5.076 -11.690 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.469 -2.095 -11.238 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.676 -2.712 -12.674 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.086 -3.984 -11.202 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.844 -3.255 -9.800 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.633 -1.625 -12.065 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.275 -2.111 -10.647 1.00 0.00 H new ATOM 0 HE ARG A 69 0.892 -0.548 -9.339 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.323 -0.873 -12.550 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.347 0.555 -12.366 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.209 1.286 -9.109 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.283 1.773 -10.425 1.00 0.00 H new ATOM 1114 N ALA A 70 5.869 -3.399 -12.599 1.00 0.00 N ATOM 1115 CA ALA A 70 6.887 -3.287 -13.636 1.00 0.00 C ATOM 1116 C ALA A 70 7.531 -4.639 -13.921 1.00 0.00 C ATOM 1117 O ALA A 70 7.633 -5.058 -15.073 1.00 0.00 O ATOM 1118 CB ALA A 70 7.944 -2.270 -13.231 1.00 0.00 C ATOM 0 H ALA A 70 6.062 -2.854 -11.759 1.00 0.00 H new ATOM 0 HA ALA A 70 6.403 -2.945 -14.551 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.698 -2.197 -14.015 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.476 -1.297 -13.086 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.417 -2.587 -12.302 1.00 0.00 H new ATOM 1124 N ALA A 71 7.967 -5.316 -12.863 1.00 0.00 N ATOM 1125 CA ALA A 71 8.601 -6.621 -13.000 1.00 0.00 C ATOM 1126 C ALA A 71 7.617 -7.657 -13.533 1.00 0.00 C ATOM 1127 O ALA A 71 7.996 -8.560 -14.277 1.00 0.00 O ATOM 1128 CB ALA A 71 9.174 -7.072 -11.664 1.00 0.00 C ATOM 0 H ALA A 71 7.892 -4.982 -11.902 1.00 0.00 H new ATOM 0 HA ALA A 71 9.415 -6.528 -13.719 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.645 -8.048 -11.781 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.916 -6.350 -11.324 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.372 -7.141 -10.929 1.00 0.00 H new ATOM 1134 N GLN A 72 6.353 -7.518 -13.146 1.00 0.00 N ATOM 1135 CA GLN A 72 5.316 -8.444 -13.585 1.00 0.00 C ATOM 1136 C GLN A 72 4.929 -8.182 -15.037 1.00 0.00 C ATOM 1137 O GLN A 72 4.438 -9.071 -15.729 1.00 0.00 O ATOM 1138 CB GLN A 72 4.082 -8.324 -12.688 1.00 0.00 C ATOM 1139 CG GLN A 72 4.260 -8.965 -11.320 1.00 0.00 C ATOM 1140 CD GLN A 72 4.678 -10.420 -11.408 1.00 0.00 C ATOM 1141 OE1 GLN A 72 3.893 -11.280 -11.806 1.00 0.00 O ATOM 1142 NE2 GLN A 72 5.921 -10.702 -11.035 1.00 0.00 N ATOM 0 H GLN A 72 6.023 -6.775 -12.531 1.00 0.00 H new ATOM 0 HA GLN A 72 5.715 -9.456 -13.511 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.839 -7.269 -12.557 1.00 0.00 H new ATOM 0 HB3 GLN A 72 3.232 -8.787 -13.189 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.010 -8.409 -10.757 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.325 -8.892 -10.764 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.538 -9.957 -10.711 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.259 -11.664 -11.072 1.00 0.00 H new