USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 579 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 27 ASN : amide:sc= 1.05 K(o=1.4,f=-2.8!) USER MOD Set 1.2: A 29 THR OG1 : rot 39:sc= 0.397 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 33:sc= 0.0488 USER MOD Single : A 19 MET CE :methyl -172:sc= 0 (180deg=-0.0841) USER MOD Single : A 20 MET CE :methyl -173:sc= -5.69! (180deg=-5.94!) USER MOD Single : A 23 THR OG1 : rot 131:sc= 1.14 USER MOD Single : A 25 SER OG : rot 72:sc= 1.22 USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0123) USER MOD Single : A 33 THR OG1 : rot 101:sc= 1.84 USER MOD Single : A 37 THR OG1 : rot -95:sc= 1.22 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.021 X(o=0.021,f=0) USER MOD Single : A 43 SER OG : rot 83:sc= 0.683 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.016) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.077) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.279 USER MOD Single : A 70 TYR OH : rot 89:sc= 1.11 USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= -0.0103 (180deg=-0.171) USER MOD Single : A 80 SER OG : rot 84:sc= 1.2 USER MOD Single : A 81 GLN : amide:sc= -0.863 X(o=-0.86,f=-0.69) USER MOD Single : A 84 CYS SG : rot 180:sc=0.000786 USER MOD Single : A 88 THR OG1 : rot 32:sc= 0.049 USER MOD ----------------------------------------------------------------- ATOM 233 N LYS A 16 0.303 14.728 0.279 1.00 0.00 N ATOM 234 CA LYS A 16 1.093 13.772 -0.446 1.00 0.00 C ATOM 235 C LYS A 16 0.198 12.863 -1.291 1.00 0.00 C ATOM 236 O LYS A 16 -0.923 12.545 -0.895 1.00 0.00 O ATOM 237 CB LYS A 16 1.892 12.934 0.571 1.00 0.00 C ATOM 238 CG LYS A 16 2.746 11.813 -0.008 1.00 0.00 C ATOM 239 CD LYS A 16 3.853 12.325 -0.925 1.00 0.00 C ATOM 240 CE LYS A 16 4.680 11.171 -1.466 1.00 0.00 C ATOM 241 NZ LYS A 16 5.800 11.614 -2.320 1.00 0.00 N ATOM 0 HA LYS A 16 1.772 14.293 -1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.542 13.605 1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.191 12.498 1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.191 11.243 0.808 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.108 11.127 -0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.417 12.885 -1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.496 13.014 -0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.074 10.591 -0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.034 10.506 -2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.327 10.784 -2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.428 12.144 -3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.435 12.226 -1.769 1.00 0.00 H new ATOM 255 N THR A 17 0.670 12.503 -2.448 1.00 0.00 N ATOM 256 CA THR A 17 0.054 11.489 -3.254 1.00 0.00 C ATOM 257 C THR A 17 1.064 10.361 -3.390 1.00 0.00 C ATOM 258 O THR A 17 2.203 10.596 -3.806 1.00 0.00 O ATOM 259 CB THR A 17 -0.393 12.025 -4.640 1.00 0.00 C ATOM 260 OG1 THR A 17 0.665 12.774 -5.273 1.00 0.00 O ATOM 261 CG2 THR A 17 -1.619 12.894 -4.508 1.00 0.00 C ATOM 0 H THR A 17 1.506 12.911 -2.865 1.00 0.00 H new ATOM 0 HA THR A 17 -0.860 11.137 -2.777 1.00 0.00 H new ATOM 0 HB THR A 17 -0.633 11.163 -5.263 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.532 12.392 -5.022 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.914 13.259 -5.492 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.433 12.311 -4.077 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.396 13.741 -3.859 1.00 0.00 H new ATOM 269 N LEU A 18 0.694 9.179 -2.964 1.00 0.00 N ATOM 270 CA LEU A 18 1.631 8.079 -2.924 1.00 0.00 C ATOM 271 C LEU A 18 0.973 6.825 -3.499 1.00 0.00 C ATOM 272 O LEU A 18 0.091 6.237 -2.885 1.00 0.00 O ATOM 273 CB LEU A 18 2.085 7.833 -1.444 1.00 0.00 C ATOM 274 CG LEU A 18 3.299 6.953 -1.125 1.00 0.00 C ATOM 275 CD1 LEU A 18 3.400 5.684 -1.905 1.00 0.00 C ATOM 276 CD2 LEU A 18 4.602 7.710 -1.096 1.00 0.00 C ATOM 0 H LEU A 18 -0.246 8.952 -2.640 1.00 0.00 H new ATOM 0 HA LEU A 18 2.508 8.320 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.275 8.811 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.233 7.405 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 18 3.098 6.628 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.294 5.140 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.519 5.070 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.461 5.915 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.416 7.024 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.779 8.167 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.554 8.487 -0.333 1.00 0.00 H new ATOM 288 N MET A 19 1.390 6.446 -4.651 1.00 0.00 N ATOM 289 CA MET A 19 0.985 5.174 -5.236 1.00 0.00 C ATOM 290 C MET A 19 1.911 4.099 -4.673 1.00 0.00 C ATOM 291 O MET A 19 3.059 3.987 -5.092 1.00 0.00 O ATOM 292 CB MET A 19 1.046 5.238 -6.800 1.00 0.00 C ATOM 293 CG MET A 19 2.388 5.725 -7.375 1.00 0.00 C ATOM 294 SD MET A 19 2.392 5.951 -9.174 1.00 0.00 S ATOM 295 CE MET A 19 2.174 4.269 -9.751 1.00 0.00 C ATOM 0 H MET A 19 2.023 6.993 -5.234 1.00 0.00 H new ATOM 0 HA MET A 19 -0.048 4.940 -4.981 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.835 4.246 -7.199 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.254 5.899 -7.154 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.651 6.671 -6.901 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.165 5.008 -7.109 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.300 4.236 -10.833 1.00 0.00 H new ATOM 0 HE2 MET A 19 2.916 3.624 -9.280 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.174 3.922 -9.491 1.00 0.00 H new ATOM 305 N MET A 20 1.461 3.327 -3.684 1.00 0.00 N ATOM 306 CA MET A 20 2.416 2.452 -3.049 1.00 0.00 C ATOM 307 C MET A 20 2.487 1.132 -3.753 1.00 0.00 C ATOM 308 O MET A 20 1.440 0.542 -4.098 1.00 0.00 O ATOM 309 CB MET A 20 2.213 2.332 -1.508 1.00 0.00 C ATOM 310 CG MET A 20 1.405 1.158 -0.970 1.00 0.00 C ATOM 311 SD MET A 20 2.124 -0.443 -1.259 1.00 0.00 S ATOM 312 CE MET A 20 3.654 -0.143 -0.490 1.00 0.00 C ATOM 0 H MET A 20 0.505 3.294 -3.330 1.00 0.00 H new ATOM 0 HA MET A 20 3.397 2.915 -3.152 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.199 2.295 -1.046 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.734 3.249 -1.164 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.270 1.291 0.103 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.413 1.181 -1.422 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.320 -0.988 -0.664 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.099 0.761 -0.905 1.00 0.00 H new ATOM 0 HE3 MET A 20 3.503 -0.014 0.582 1.00 0.00 H new ATOM 322 N PHE A 21 3.717 0.653 -3.891 1.00 0.00 N ATOM 323 CA PHE A 21 4.056 -0.527 -4.631 1.00 0.00 C ATOM 324 C PHE A 21 4.475 -1.631 -3.638 1.00 0.00 C ATOM 325 O PHE A 21 5.496 -1.511 -2.897 1.00 0.00 O ATOM 326 CB PHE A 21 5.179 -0.085 -5.555 1.00 0.00 C ATOM 327 CG PHE A 21 5.779 -1.036 -6.527 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.774 -1.913 -6.139 1.00 0.00 C ATOM 329 CD2 PHE A 21 5.416 -0.971 -7.865 1.00 0.00 C ATOM 330 CE1 PHE A 21 7.400 -2.717 -7.056 1.00 0.00 C ATOM 331 CE2 PHE A 21 6.040 -1.788 -8.796 1.00 0.00 C ATOM 332 CZ PHE A 21 7.037 -2.657 -8.390 1.00 0.00 C ATOM 0 H PHE A 21 4.529 1.104 -3.468 1.00 0.00 H new ATOM 0 HA PHE A 21 3.238 -0.948 -5.215 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.809 0.766 -6.126 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.988 0.282 -4.924 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.062 -1.966 -5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.646 -0.283 -8.182 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.176 -3.397 -6.737 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.748 -1.746 -9.835 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.532 -3.288 -9.114 1.00 0.00 H new ATOM 342 N VAL A 22 3.663 -2.651 -3.587 1.00 0.00 N ATOM 343 CA VAL A 22 3.800 -3.741 -2.643 1.00 0.00 C ATOM 344 C VAL A 22 4.048 -5.056 -3.369 1.00 0.00 C ATOM 345 O VAL A 22 3.294 -5.447 -4.261 1.00 0.00 O ATOM 346 CB VAL A 22 2.547 -3.781 -1.666 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.268 -3.561 -2.430 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.428 -5.084 -0.848 1.00 0.00 C ATOM 0 H VAL A 22 2.865 -2.756 -4.214 1.00 0.00 H new ATOM 0 HA VAL A 22 4.677 -3.575 -2.017 1.00 0.00 H new ATOM 0 HB VAL A 22 2.713 -2.972 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.423 -3.592 -1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.300 -2.588 -2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.154 -4.343 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.548 -5.032 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.333 -5.932 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.319 -5.210 -0.232 1.00 0.00 H new ATOM 358 N THR A 23 5.128 -5.690 -3.015 1.00 0.00 N ATOM 359 CA THR A 23 5.520 -6.910 -3.607 1.00 0.00 C ATOM 360 C THR A 23 5.067 -8.145 -2.682 1.00 0.00 C ATOM 361 O THR A 23 5.308 -8.113 -1.437 1.00 0.00 O ATOM 362 CB THR A 23 7.059 -6.909 -3.803 1.00 0.00 C ATOM 363 OG1 THR A 23 7.443 -5.835 -4.705 1.00 0.00 O ATOM 364 CG2 THR A 23 7.565 -8.242 -4.332 1.00 0.00 C ATOM 0 H THR A 23 5.765 -5.357 -2.291 1.00 0.00 H new ATOM 0 HA THR A 23 5.036 -7.018 -4.578 1.00 0.00 H new ATOM 0 HB THR A 23 7.517 -6.748 -2.827 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.179 -5.323 -4.309 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.647 -8.198 -4.455 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.312 -9.033 -3.626 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.099 -8.452 -5.295 1.00 0.00 H new ATOM 372 N VAL A 24 4.461 -9.216 -3.288 1.00 0.00 N ATOM 373 CA VAL A 24 3.943 -10.385 -2.622 1.00 0.00 C ATOM 374 C VAL A 24 4.538 -11.593 -3.429 1.00 0.00 C ATOM 375 O VAL A 24 4.037 -11.863 -4.495 1.00 0.00 O ATOM 376 CB VAL A 24 2.374 -10.403 -2.818 1.00 0.00 C ATOM 377 CG1 VAL A 24 1.756 -11.627 -2.261 1.00 0.00 C ATOM 378 CG2 VAL A 24 1.691 -9.193 -2.217 1.00 0.00 C ATOM 0 H VAL A 24 4.331 -9.257 -4.299 1.00 0.00 H new ATOM 0 HA VAL A 24 4.188 -10.414 -1.560 1.00 0.00 H new ATOM 0 HB VAL A 24 2.225 -10.383 -3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.678 -11.595 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.170 -12.503 -2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.964 -11.686 -1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.616 -9.262 -2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.891 -9.157 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.074 -8.288 -2.688 1.00 0.00 H new ATOM 388 N SER A 25 5.606 -12.310 -2.983 1.00 0.00 N ATOM 389 CA SER A 25 6.255 -13.199 -3.934 1.00 0.00 C ATOM 390 C SER A 25 6.225 -14.681 -3.527 1.00 0.00 C ATOM 391 O SER A 25 6.879 -15.496 -4.171 1.00 0.00 O ATOM 392 CB SER A 25 7.694 -12.741 -4.153 1.00 0.00 C ATOM 393 OG SER A 25 8.202 -13.170 -5.409 1.00 0.00 O ATOM 0 H SER A 25 5.998 -12.285 -2.042 1.00 0.00 H new ATOM 0 HA SER A 25 5.684 -13.136 -4.861 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.742 -11.654 -4.095 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.325 -13.131 -3.354 1.00 0.00 H new ATOM 0 HG SER A 25 7.773 -12.659 -6.127 1.00 0.00 H new ATOM 399 N GLY A 26 5.502 -15.028 -2.449 1.00 0.00 N ATOM 400 CA GLY A 26 5.338 -16.448 -2.085 1.00 0.00 C ATOM 401 C GLY A 26 4.857 -17.253 -3.291 1.00 0.00 C ATOM 402 O GLY A 26 5.407 -18.319 -3.590 1.00 0.00 O ATOM 0 H GLY A 26 5.033 -14.367 -1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.285 -16.850 -1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.622 -16.541 -1.268 1.00 0.00 H new ATOM 406 N ASN A 27 3.855 -16.725 -3.991 1.00 0.00 N ATOM 407 CA ASN A 27 3.470 -17.213 -5.285 1.00 0.00 C ATOM 408 C ASN A 27 3.764 -16.058 -6.233 1.00 0.00 C ATOM 409 O ASN A 27 3.059 -15.060 -6.234 1.00 0.00 O ATOM 410 CB ASN A 27 1.971 -17.608 -5.304 1.00 0.00 C ATOM 411 CG ASN A 27 1.408 -17.903 -6.697 1.00 0.00 C ATOM 412 OD1 ASN A 27 0.908 -17.002 -7.379 1.00 0.00 O ATOM 413 ND2 ASN A 27 1.432 -19.149 -7.105 1.00 0.00 N ATOM 0 H ASN A 27 3.292 -15.941 -3.661 1.00 0.00 H new ATOM 0 HA ASN A 27 4.011 -18.115 -5.570 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.833 -18.488 -4.676 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.391 -16.802 -4.855 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.030 -19.397 -8.009 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.852 -19.870 -6.518 1.00 0.00 H new ATOM 420 N PRO A 28 4.851 -16.146 -7.007 1.00 0.00 N ATOM 421 CA PRO A 28 5.329 -15.051 -7.862 1.00 0.00 C ATOM 422 C PRO A 28 4.601 -14.966 -9.198 1.00 0.00 C ATOM 423 O PRO A 28 5.118 -14.399 -10.188 1.00 0.00 O ATOM 424 CB PRO A 28 6.813 -15.395 -8.084 1.00 0.00 C ATOM 425 CG PRO A 28 7.060 -16.672 -7.337 1.00 0.00 C ATOM 426 CD PRO A 28 5.725 -17.303 -7.108 1.00 0.00 C ATOM 0 HA PRO A 28 5.158 -14.081 -7.396 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.031 -15.516 -9.145 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.457 -14.597 -7.715 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.708 -17.336 -7.909 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.562 -16.475 -6.390 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.438 -17.959 -7.930 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.710 -17.905 -6.200 1.00 0.00 H new ATOM 434 N THR A 29 3.414 -15.473 -9.219 1.00 0.00 N ATOM 435 CA THR A 29 2.604 -15.495 -10.382 1.00 0.00 C ATOM 436 C THR A 29 1.255 -14.832 -10.073 1.00 0.00 C ATOM 437 O THR A 29 1.142 -14.081 -9.077 1.00 0.00 O ATOM 438 CB THR A 29 2.459 -16.936 -10.921 1.00 0.00 C ATOM 439 OG1 THR A 29 2.240 -17.843 -9.836 1.00 0.00 O ATOM 440 CG2 THR A 29 3.696 -17.358 -11.702 1.00 0.00 C ATOM 0 H THR A 29 2.972 -15.895 -8.402 1.00 0.00 H new ATOM 0 HA THR A 29 3.079 -14.921 -11.178 1.00 0.00 H new ATOM 0 HB THR A 29 1.603 -16.960 -11.596 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.647 -17.426 -9.176 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.565 -18.376 -12.069 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.841 -16.684 -12.546 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.569 -17.317 -11.051 1.00 0.00 H new ATOM 448 N GLU A 30 0.256 -15.057 -10.887 1.00 0.00 N ATOM 449 CA GLU A 30 -0.978 -14.341 -10.732 1.00 0.00 C ATOM 450 C GLU A 30 -1.811 -14.789 -9.546 1.00 0.00 C ATOM 451 O GLU A 30 -2.465 -13.975 -8.967 1.00 0.00 O ATOM 452 CB GLU A 30 -1.800 -14.344 -12.027 1.00 0.00 C ATOM 453 CG GLU A 30 -3.066 -13.511 -11.936 1.00 0.00 C ATOM 454 CD GLU A 30 -3.792 -13.401 -13.228 1.00 0.00 C ATOM 455 OE1 GLU A 30 -3.468 -12.500 -14.030 1.00 0.00 O ATOM 456 OE2 GLU A 30 -4.715 -14.183 -13.469 1.00 0.00 O ATOM 0 H GLU A 30 0.274 -15.725 -11.657 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.688 -13.314 -10.512 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.183 -13.966 -12.842 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.066 -15.371 -12.278 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.729 -13.951 -11.191 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.810 -12.511 -11.585 1.00 0.00 H new ATOM 463 N LYS A 31 -1.724 -16.043 -9.134 1.00 0.00 N ATOM 464 CA LYS A 31 -2.652 -16.567 -8.118 1.00 0.00 C ATOM 465 C LYS A 31 -2.578 -15.798 -6.797 1.00 0.00 C ATOM 466 O LYS A 31 -3.627 -15.383 -6.230 1.00 0.00 O ATOM 467 CB LYS A 31 -2.491 -18.095 -7.904 1.00 0.00 C ATOM 468 CG LYS A 31 -3.698 -18.764 -7.215 1.00 0.00 C ATOM 469 CD LYS A 31 -3.782 -18.452 -5.728 1.00 0.00 C ATOM 470 CE LYS A 31 -5.197 -18.568 -5.202 1.00 0.00 C ATOM 471 NZ LYS A 31 -5.770 -19.909 -5.389 1.00 0.00 N ATOM 0 H LYS A 31 -1.036 -16.715 -9.474 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.654 -16.405 -8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.328 -18.571 -8.871 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.598 -18.275 -7.305 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.616 -18.435 -7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.635 -19.844 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.134 -19.134 -5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.410 -17.443 -5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.206 -18.320 -4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.828 -17.836 -5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.705 -19.953 -4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.868 -20.106 -6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.143 -20.618 -4.958 1.00 0.00 H new ATOM 485 N GLU A 32 -1.390 -15.580 -6.307 1.00 0.00 N ATOM 486 CA GLU A 32 -1.265 -14.891 -5.035 1.00 0.00 C ATOM 487 C GLU A 32 -1.806 -13.498 -5.222 1.00 0.00 C ATOM 488 O GLU A 32 -2.694 -13.053 -4.496 1.00 0.00 O ATOM 489 CB GLU A 32 0.186 -14.820 -4.568 1.00 0.00 C ATOM 490 CG GLU A 32 0.395 -14.521 -3.089 1.00 0.00 C ATOM 491 CD GLU A 32 0.316 -15.761 -2.259 1.00 0.00 C ATOM 492 OE1 GLU A 32 -0.784 -16.272 -2.028 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.376 -16.286 -1.856 1.00 0.00 O ATOM 0 H GLU A 32 -0.512 -15.856 -6.747 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.820 -15.437 -4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.668 -15.770 -4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.698 -14.053 -5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.367 -14.049 -2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.358 -13.808 -2.752 1.00 0.00 H new ATOM 500 N THR A 33 -1.324 -12.891 -6.269 1.00 0.00 N ATOM 501 CA THR A 33 -1.683 -11.579 -6.688 1.00 0.00 C ATOM 502 C THR A 33 -3.189 -11.428 -6.802 1.00 0.00 C ATOM 503 O THR A 33 -3.740 -10.491 -6.312 1.00 0.00 O ATOM 504 CB THR A 33 -1.070 -11.323 -8.062 1.00 0.00 C ATOM 505 OG1 THR A 33 0.323 -11.606 -7.999 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.294 -9.886 -8.504 1.00 0.00 C ATOM 0 H THR A 33 -0.634 -13.327 -6.881 1.00 0.00 H new ATOM 0 HA THR A 33 -1.315 -10.868 -5.948 1.00 0.00 H new ATOM 0 HB THR A 33 -1.552 -11.971 -8.794 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.495 -12.492 -8.382 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.846 -9.733 -9.486 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.364 -9.684 -8.558 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.833 -9.208 -7.786 1.00 0.00 H new ATOM 514 N GLU A 34 -3.830 -12.376 -7.411 1.00 0.00 N ATOM 515 CA GLU A 34 -5.231 -12.297 -7.699 1.00 0.00 C ATOM 516 C GLU A 34 -6.097 -12.537 -6.484 1.00 0.00 C ATOM 517 O GLU A 34 -7.143 -11.878 -6.335 1.00 0.00 O ATOM 518 CB GLU A 34 -5.600 -13.256 -8.806 1.00 0.00 C ATOM 519 CG GLU A 34 -5.512 -14.725 -8.424 1.00 0.00 C ATOM 520 CD GLU A 34 -5.918 -15.610 -9.570 1.00 0.00 C ATOM 521 OE1 GLU A 34 -7.079 -15.511 -10.011 1.00 0.00 O ATOM 522 OE2 GLU A 34 -5.084 -16.378 -10.092 1.00 0.00 O ATOM 0 H GLU A 34 -3.390 -13.240 -7.727 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.424 -11.275 -8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.617 -13.039 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.945 -13.076 -9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.493 -14.964 -8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.155 -14.919 -7.565 1.00 0.00 H new ATOM 529 N GLU A 35 -5.621 -13.373 -5.545 1.00 0.00 N ATOM 530 CA GLU A 35 -6.438 -13.749 -4.414 1.00 0.00 C ATOM 531 C GLU A 35 -6.374 -12.540 -3.603 1.00 0.00 C ATOM 532 O GLU A 35 -7.415 -11.929 -3.179 1.00 0.00 O ATOM 533 CB GLU A 35 -5.793 -14.944 -3.629 1.00 0.00 C ATOM 534 CG GLU A 35 -6.596 -15.416 -2.421 1.00 0.00 C ATOM 535 CD GLU A 35 -7.908 -16.089 -2.767 1.00 0.00 C ATOM 536 OE1 GLU A 35 -8.869 -15.407 -3.161 1.00 0.00 O ATOM 537 OE2 GLU A 35 -8.009 -17.320 -2.600 1.00 0.00 O ATOM 0 H GLU A 35 -4.689 -13.787 -5.559 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.443 -14.072 -4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.663 -15.783 -4.313 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.799 -14.648 -3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.986 -16.111 -1.844 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.799 -14.560 -1.778 1.00 0.00 H new ATOM 544 N ILE A 36 -5.145 -12.109 -3.487 1.00 0.00 N ATOM 545 CA ILE A 36 -4.895 -10.980 -2.873 1.00 0.00 C ATOM 546 C ILE A 36 -5.522 -9.709 -3.325 1.00 0.00 C ATOM 547 O ILE A 36 -6.296 -9.167 -2.608 1.00 0.00 O ATOM 548 CB ILE A 36 -4.150 -10.961 -1.575 1.00 0.00 C ATOM 549 CG1 ILE A 36 -2.726 -11.556 -1.529 1.00 0.00 C ATOM 550 CG2 ILE A 36 -4.993 -11.583 -0.527 1.00 0.00 C ATOM 551 CD1 ILE A 36 -1.716 -10.910 -2.443 1.00 0.00 C ATOM 0 H ILE A 36 -4.324 -12.595 -3.848 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.054 -11.015 -3.565 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.963 -9.901 -1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.357 -11.489 -0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.787 -12.616 -1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.458 -11.574 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.922 -11.021 -0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.220 -12.612 -0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.752 -11.406 -2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.050 -11.000 -3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.614 -9.856 -2.185 1.00 0.00 H new ATOM 563 N THR A 37 -5.333 -9.326 -4.557 1.00 0.00 N ATOM 564 CA THR A 37 -5.827 -8.059 -5.031 1.00 0.00 C ATOM 565 C THR A 37 -7.331 -8.003 -5.093 1.00 0.00 C ATOM 566 O THR A 37 -7.911 -6.932 -4.868 1.00 0.00 O ATOM 567 CB THR A 37 -5.203 -7.672 -6.366 1.00 0.00 C ATOM 568 OG1 THR A 37 -5.379 -8.744 -7.317 1.00 0.00 O ATOM 569 CG2 THR A 37 -3.727 -7.401 -6.151 1.00 0.00 C ATOM 0 H THR A 37 -4.837 -9.877 -5.258 1.00 0.00 H new ATOM 0 HA THR A 37 -5.518 -7.320 -4.292 1.00 0.00 H new ATOM 0 HB THR A 37 -5.687 -6.778 -6.759 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.582 -9.315 -7.318 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.266 -7.123 -7.099 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.607 -6.587 -5.436 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.245 -8.298 -5.763 1.00 0.00 H new ATOM 577 N SER A 38 -7.974 -9.147 -5.356 1.00 0.00 N ATOM 578 CA SER A 38 -9.398 -9.174 -5.358 1.00 0.00 C ATOM 579 C SER A 38 -9.911 -8.877 -3.930 1.00 0.00 C ATOM 580 O SER A 38 -10.750 -7.957 -3.740 1.00 0.00 O ATOM 581 CB SER A 38 -9.945 -10.497 -5.984 1.00 0.00 C ATOM 582 OG SER A 38 -11.362 -10.547 -6.002 1.00 0.00 O ATOM 0 H SER A 38 -7.521 -10.037 -5.563 1.00 0.00 H new ATOM 0 HA SER A 38 -9.790 -8.390 -6.005 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.569 -10.595 -7.002 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.562 -11.347 -5.419 1.00 0.00 H new ATOM 0 HG SER A 38 -11.654 -11.392 -6.404 1.00 0.00 H new ATOM 588 N LEU A 39 -9.321 -9.541 -2.895 1.00 0.00 N ATOM 589 CA LEU A 39 -9.744 -9.259 -1.529 1.00 0.00 C ATOM 590 C LEU A 39 -9.327 -7.852 -1.168 1.00 0.00 C ATOM 591 O LEU A 39 -10.121 -7.047 -0.691 1.00 0.00 O ATOM 592 CB LEU A 39 -9.114 -10.232 -0.525 1.00 0.00 C ATOM 593 CG LEU A 39 -9.450 -11.710 -0.677 1.00 0.00 C ATOM 594 CD1 LEU A 39 -8.807 -12.500 0.452 1.00 0.00 C ATOM 595 CD2 LEU A 39 -10.959 -11.921 -0.690 1.00 0.00 C ATOM 0 H LEU A 39 -8.585 -10.241 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.827 -9.373 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.031 -10.125 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.409 -9.921 0.477 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.054 -12.066 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.049 -13.557 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.725 -12.370 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.185 -12.140 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.177 -12.983 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.385 -11.558 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.396 -11.373 -1.525 1.00 0.00 H new ATOM 607 N TRP A 40 -8.103 -7.565 -1.494 1.00 0.00 N ATOM 608 CA TRP A 40 -7.443 -6.342 -1.183 1.00 0.00 C ATOM 609 C TRP A 40 -8.130 -5.103 -1.698 1.00 0.00 C ATOM 610 O TRP A 40 -8.644 -4.316 -0.908 1.00 0.00 O ATOM 611 CB TRP A 40 -5.989 -6.395 -1.621 1.00 0.00 C ATOM 612 CG TRP A 40 -5.121 -7.207 -0.712 1.00 0.00 C ATOM 613 CD1 TRP A 40 -5.507 -7.885 0.410 1.00 0.00 C ATOM 614 CD2 TRP A 40 -3.718 -7.424 -0.845 1.00 0.00 C ATOM 615 NE1 TRP A 40 -4.421 -8.453 1.008 1.00 0.00 N ATOM 616 CE2 TRP A 40 -3.313 -8.204 0.256 1.00 0.00 C ATOM 617 CE3 TRP A 40 -2.761 -7.020 -1.775 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -1.994 -8.584 0.451 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -1.452 -7.400 -1.580 1.00 0.00 C ATOM 620 CH2 TRP A 40 -1.081 -8.177 -0.473 1.00 0.00 C ATOM 0 H TRP A 40 -7.511 -8.215 -2.011 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.491 -6.250 -0.098 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.936 -6.810 -2.627 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.596 -5.380 -1.674 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.522 -7.960 0.770 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.436 -8.981 1.881 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -3.040 -6.422 -2.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.702 -9.180 1.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.699 -7.095 -2.291 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.046 -8.459 -0.351 1.00 0.00 H new ATOM 631 N GLN A 41 -8.178 -4.899 -2.997 1.00 0.00 N ATOM 632 CA GLN A 41 -8.770 -3.676 -3.443 1.00 0.00 C ATOM 633 C GLN A 41 -10.292 -3.768 -3.402 1.00 0.00 C ATOM 634 O GLN A 41 -10.968 -2.744 -3.338 1.00 0.00 O ATOM 635 CB GLN A 41 -8.125 -3.075 -4.743 1.00 0.00 C ATOM 636 CG GLN A 41 -8.515 -3.647 -6.100 1.00 0.00 C ATOM 637 CD GLN A 41 -9.562 -2.778 -6.790 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.760 -2.997 -6.638 1.00 0.00 O ATOM 639 NE2 GLN A 41 -9.109 -1.780 -7.552 1.00 0.00 N ATOM 0 H GLN A 41 -7.833 -5.530 -3.721 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.516 -2.895 -2.726 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.352 -2.009 -4.759 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.043 -3.169 -4.646 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.630 -3.724 -6.732 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.905 -4.657 -5.973 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.105 -1.631 -7.653 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.767 -1.167 -8.033 1.00 0.00 H new ATOM 648 N GLY A 42 -10.823 -5.030 -3.330 1.00 0.00 N ATOM 649 CA GLY A 42 -12.225 -5.240 -3.085 1.00 0.00 C ATOM 650 C GLY A 42 -12.657 -4.514 -1.879 1.00 0.00 C ATOM 651 O GLY A 42 -13.496 -3.607 -1.927 1.00 0.00 O ATOM 0 H GLY A 42 -10.280 -5.886 -3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.804 -4.903 -3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.423 -6.305 -2.965 1.00 0.00 H new ATOM 655 N SER A 43 -12.023 -4.873 -0.814 1.00 0.00 N ATOM 656 CA SER A 43 -12.337 -4.384 0.454 1.00 0.00 C ATOM 657 C SER A 43 -11.858 -2.942 0.662 1.00 0.00 C ATOM 658 O SER A 43 -12.561 -2.151 1.292 1.00 0.00 O ATOM 659 CB SER A 43 -11.764 -5.317 1.466 1.00 0.00 C ATOM 660 OG SER A 43 -12.193 -6.654 1.222 1.00 0.00 O ATOM 0 H SER A 43 -11.249 -5.537 -0.820 1.00 0.00 H new ATOM 0 HA SER A 43 -13.420 -4.342 0.565 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.675 -5.269 1.437 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.070 -5.009 2.466 1.00 0.00 H new ATOM 0 HG SER A 43 -11.623 -7.061 0.536 1.00 0.00 H new ATOM 666 N LEU A 44 -10.686 -2.586 0.113 1.00 0.00 N ATOM 667 CA LEU A 44 -10.196 -1.215 0.246 1.00 0.00 C ATOM 668 C LEU A 44 -11.146 -0.197 -0.389 1.00 0.00 C ATOM 669 O LEU A 44 -11.297 0.927 0.114 1.00 0.00 O ATOM 670 CB LEU A 44 -8.751 -1.012 -0.248 1.00 0.00 C ATOM 671 CG LEU A 44 -7.629 -1.707 0.498 1.00 0.00 C ATOM 672 CD1 LEU A 44 -6.273 -1.007 0.140 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.919 -1.716 2.008 1.00 0.00 C ATOM 0 H LEU A 44 -10.077 -3.213 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.173 -1.032 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.708 -1.335 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.544 0.058 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.555 -2.751 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.458 -1.499 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.100 -1.076 -0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.316 0.042 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.106 -2.218 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.004 -0.691 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.853 -2.246 2.196 1.00 0.00 H new ATOM 685 N PHE A 45 -11.807 -0.585 -1.468 1.00 0.00 N ATOM 686 CA PHE A 45 -12.777 0.292 -2.080 1.00 0.00 C ATOM 687 C PHE A 45 -14.156 0.127 -1.443 1.00 0.00 C ATOM 688 O PHE A 45 -14.907 1.093 -1.320 1.00 0.00 O ATOM 689 CB PHE A 45 -12.836 0.097 -3.598 1.00 0.00 C ATOM 690 CG PHE A 45 -11.640 0.645 -4.338 1.00 0.00 C ATOM 691 CD1 PHE A 45 -10.432 -0.025 -4.352 1.00 0.00 C ATOM 692 CD2 PHE A 45 -11.733 1.839 -5.016 1.00 0.00 C ATOM 693 CE1 PHE A 45 -9.349 0.482 -5.027 1.00 0.00 C ATOM 694 CE2 PHE A 45 -10.655 2.350 -5.695 1.00 0.00 C ATOM 695 CZ PHE A 45 -9.460 1.669 -5.699 1.00 0.00 C ATOM 0 H PHE A 45 -11.689 -1.488 -1.928 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.450 1.316 -1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -12.926 -0.968 -3.813 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -13.737 0.577 -3.980 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.338 -0.962 -3.824 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.667 2.381 -5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.412 -0.055 -5.028 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -10.745 3.286 -6.226 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.611 2.070 -6.232 1.00 0.00 H new ATOM 705 N ASN A 46 -14.470 -1.083 -0.993 1.00 0.00 N ATOM 706 CA ASN A 46 -15.789 -1.366 -0.396 1.00 0.00 C ATOM 707 C ASN A 46 -15.960 -0.694 0.972 1.00 0.00 C ATOM 708 O ASN A 46 -17.062 -0.305 1.343 1.00 0.00 O ATOM 709 CB ASN A 46 -16.067 -2.885 -0.313 1.00 0.00 C ATOM 710 CG ASN A 46 -17.467 -3.219 0.196 1.00 0.00 C ATOM 711 OD1 ASN A 46 -18.421 -3.282 -0.587 1.00 0.00 O ATOM 712 ND2 ASN A 46 -17.602 -3.465 1.473 1.00 0.00 N ATOM 0 H ASN A 46 -13.840 -1.885 -1.026 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.533 -0.931 -1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.933 -3.326 -1.301 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -15.330 -3.346 0.344 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -18.515 -3.718 1.850 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -16.794 -3.404 2.092 1.00 0.00 H new ATOM 719 N ALA A 47 -14.863 -0.512 1.704 1.00 0.00 N ATOM 720 CA ALA A 47 -14.934 0.153 3.002 1.00 0.00 C ATOM 721 C ALA A 47 -14.892 1.675 2.839 1.00 0.00 C ATOM 722 O ALA A 47 -14.774 2.414 3.813 1.00 0.00 O ATOM 723 CB ALA A 47 -13.850 -0.343 3.946 1.00 0.00 C ATOM 0 H ALA A 47 -13.928 -0.811 1.426 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.891 -0.104 3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.935 0.175 4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.967 -1.415 4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.870 -0.144 3.511 1.00 0.00 H new ATOM 729 N ASN A 48 -14.978 2.107 1.582 1.00 0.00 N ATOM 730 CA ASN A 48 -15.123 3.505 1.180 1.00 0.00 C ATOM 731 C ASN A 48 -13.876 4.369 1.487 1.00 0.00 C ATOM 732 O ASN A 48 -13.979 5.391 2.158 1.00 0.00 O ATOM 733 CB ASN A 48 -16.411 4.125 1.825 1.00 0.00 C ATOM 734 CG ASN A 48 -16.877 5.435 1.169 1.00 0.00 C ATOM 735 OD1 ASN A 48 -17.644 5.405 0.200 1.00 0.00 O ATOM 736 ND2 ASN A 48 -16.473 6.573 1.697 1.00 0.00 N ATOM 0 H ASN A 48 -14.947 1.470 0.786 1.00 0.00 H new ATOM 0 HA ASN A 48 -15.225 3.508 0.095 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -17.219 3.396 1.768 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.222 4.309 2.883 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.794 7.459 1.306 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.840 6.568 2.497 1.00 0.00 H new ATOM 743 N TYR A 49 -12.680 3.959 1.063 1.00 0.00 N ATOM 744 CA TYR A 49 -11.574 4.859 1.176 1.00 0.00 C ATOM 745 C TYR A 49 -11.332 5.496 -0.224 1.00 0.00 C ATOM 746 O TYR A 49 -11.685 4.870 -1.233 1.00 0.00 O ATOM 747 CB TYR A 49 -10.325 4.142 1.679 1.00 0.00 C ATOM 748 CG TYR A 49 -10.267 3.908 3.153 1.00 0.00 C ATOM 749 CD1 TYR A 49 -10.067 4.955 4.043 1.00 0.00 C ATOM 750 CD2 TYR A 49 -10.402 2.637 3.656 1.00 0.00 C ATOM 751 CE1 TYR A 49 -10.004 4.728 5.401 1.00 0.00 C ATOM 752 CE2 TYR A 49 -10.341 2.390 5.009 1.00 0.00 C ATOM 753 CZ TYR A 49 -10.141 3.442 5.881 1.00 0.00 C ATOM 754 OH TYR A 49 -10.078 3.205 7.237 1.00 0.00 O ATOM 0 H TYR A 49 -12.474 3.046 0.657 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.800 5.636 1.906 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.251 3.179 1.173 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.451 4.724 1.386 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.959 5.961 3.666 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.559 1.813 2.975 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.849 5.550 6.084 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.449 1.383 5.385 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.194 2.247 7.407 1.00 0.00 H new ATOM 764 N ASP A 50 -10.745 6.700 -0.322 1.00 0.00 N ATOM 765 CA ASP A 50 -10.554 7.323 -1.627 1.00 0.00 C ATOM 766 C ASP A 50 -9.186 6.957 -2.164 1.00 0.00 C ATOM 767 O ASP A 50 -8.209 7.655 -1.983 1.00 0.00 O ATOM 768 CB ASP A 50 -10.759 8.835 -1.526 1.00 0.00 C ATOM 769 CG ASP A 50 -10.505 9.574 -2.812 1.00 0.00 C ATOM 770 OD1 ASP A 50 -11.244 9.357 -3.799 1.00 0.00 O ATOM 771 OD2 ASP A 50 -9.587 10.402 -2.849 1.00 0.00 O ATOM 0 H ASP A 50 -10.404 7.245 0.470 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.297 6.951 -2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.781 9.032 -1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.098 9.230 -0.755 1.00 0.00 H new ATOM 776 N VAL A 51 -9.121 5.829 -2.759 1.00 0.00 N ATOM 777 CA VAL A 51 -7.865 5.227 -3.153 1.00 0.00 C ATOM 778 C VAL A 51 -7.871 4.794 -4.577 1.00 0.00 C ATOM 779 O VAL A 51 -8.878 4.901 -5.281 1.00 0.00 O ATOM 780 CB VAL A 51 -7.620 3.958 -2.329 1.00 0.00 C ATOM 781 CG1 VAL A 51 -7.130 4.253 -0.918 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.911 3.158 -2.319 1.00 0.00 C ATOM 0 H VAL A 51 -9.941 5.272 -3.000 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.098 5.985 -2.995 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.818 3.381 -2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.974 3.316 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.190 4.803 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.874 4.851 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.769 2.246 -1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.705 3.754 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.186 2.899 -3.341 1.00 0.00 H new ATOM 792 N GLN A 52 -6.734 4.356 -5.005 1.00 0.00 N ATOM 793 CA GLN A 52 -6.589 3.683 -6.282 1.00 0.00 C ATOM 794 C GLN A 52 -5.743 2.498 -5.969 1.00 0.00 C ATOM 795 O GLN A 52 -4.877 2.594 -5.153 1.00 0.00 O ATOM 796 CB GLN A 52 -5.883 4.552 -7.370 1.00 0.00 C ATOM 797 CG GLN A 52 -6.544 5.894 -7.766 1.00 0.00 C ATOM 798 CD GLN A 52 -6.242 7.069 -6.825 1.00 0.00 C ATOM 799 OE1 GLN A 52 -5.253 7.780 -7.000 1.00 0.00 O ATOM 800 NE2 GLN A 52 -7.105 7.343 -5.905 1.00 0.00 N ATOM 0 H GLN A 52 -5.862 4.449 -4.484 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.567 3.444 -6.700 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.872 4.767 -7.023 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.788 3.947 -8.272 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.217 6.160 -8.771 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.624 5.751 -7.809 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.919 6.742 -5.774 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.973 8.160 -5.309 1.00 0.00 H new ATOM 809 N ARG A 53 -6.011 1.387 -6.524 1.00 0.00 N ATOM 810 CA ARG A 53 -5.209 0.225 -6.249 1.00 0.00 C ATOM 811 C ARG A 53 -5.059 -0.578 -7.476 1.00 0.00 C ATOM 812 O ARG A 53 -6.027 -0.767 -8.216 1.00 0.00 O ATOM 813 CB ARG A 53 -5.752 -0.628 -5.129 1.00 0.00 C ATOM 814 CG ARG A 53 -5.629 -0.074 -3.741 1.00 0.00 C ATOM 815 CD ARG A 53 -5.809 -1.208 -2.847 1.00 0.00 C ATOM 816 NE ARG A 53 -4.777 -2.247 -3.069 1.00 0.00 N ATOM 817 CZ ARG A 53 -4.452 -3.248 -2.233 1.00 0.00 C ATOM 818 NH1 ARG A 53 -5.189 -3.501 -1.158 1.00 0.00 N ATOM 819 NH2 ARG A 53 -3.383 -4.000 -2.496 1.00 0.00 N ATOM 0 H ARG A 53 -6.779 1.236 -7.178 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.237 0.585 -5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.807 -0.819 -5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.243 -1.591 -5.157 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.655 0.393 -3.591 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.382 0.693 -3.557 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.766 -0.867 -1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.799 -1.639 -3.000 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.260 -2.198 -3.947 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.012 -2.933 -0.959 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.932 -4.264 -0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.820 -3.813 -3.326 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.128 -4.762 -1.868 1.00 0.00 H new ATOM 833 N PHE A 54 -3.885 -1.096 -7.697 1.00 0.00 N ATOM 834 CA PHE A 54 -3.637 -1.691 -8.992 1.00 0.00 C ATOM 835 C PHE A 54 -3.005 -3.044 -8.931 1.00 0.00 C ATOM 836 O PHE A 54 -2.305 -3.393 -7.962 1.00 0.00 O ATOM 837 CB PHE A 54 -2.790 -0.763 -9.889 1.00 0.00 C ATOM 838 CG PHE A 54 -3.522 0.413 -10.499 1.00 0.00 C ATOM 839 CD1 PHE A 54 -3.792 1.563 -9.768 1.00 0.00 C ATOM 840 CD2 PHE A 54 -3.926 0.361 -11.821 1.00 0.00 C ATOM 841 CE1 PHE A 54 -4.450 2.628 -10.344 1.00 0.00 C ATOM 842 CE2 PHE A 54 -4.582 1.425 -12.403 1.00 0.00 C ATOM 843 CZ PHE A 54 -4.844 2.560 -11.665 1.00 0.00 C ATOM 0 H PHE A 54 -3.110 -1.123 -7.034 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.626 -1.823 -9.431 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.956 -0.381 -9.300 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.364 -1.359 -10.696 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.482 1.623 -8.735 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.725 -0.525 -12.405 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.657 3.514 -9.763 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.891 1.369 -13.437 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.357 3.395 -12.120 1.00 0.00 H new ATOM 853 N ILE A 55 -3.304 -3.810 -9.948 1.00 0.00 N ATOM 854 CA ILE A 55 -2.665 -5.057 -10.215 1.00 0.00 C ATOM 855 C ILE A 55 -1.638 -4.737 -11.279 1.00 0.00 C ATOM 856 O ILE A 55 -1.965 -4.610 -12.463 1.00 0.00 O ATOM 857 CB ILE A 55 -3.647 -6.113 -10.784 1.00 0.00 C ATOM 858 CG1 ILE A 55 -4.863 -6.283 -9.868 1.00 0.00 C ATOM 859 CG2 ILE A 55 -2.927 -7.450 -10.974 1.00 0.00 C ATOM 860 CD1 ILE A 55 -5.912 -7.228 -10.417 1.00 0.00 C ATOM 0 H ILE A 55 -4.023 -3.569 -10.630 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.248 -5.476 -9.300 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.004 -5.763 -11.753 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.528 -6.651 -8.898 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.319 -5.307 -9.699 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.625 -8.185 -11.374 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.098 -7.321 -11.669 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.545 -7.797 -10.014 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.742 -7.298 -9.714 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.276 -6.851 -11.373 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.473 -8.216 -10.560 1.00 0.00 H new ATOM 872 N VAL A 56 -0.444 -4.519 -10.859 1.00 0.00 N ATOM 873 CA VAL A 56 0.618 -4.103 -11.730 1.00 0.00 C ATOM 874 C VAL A 56 1.487 -5.260 -12.156 1.00 0.00 C ATOM 875 O VAL A 56 2.160 -5.189 -13.180 1.00 0.00 O ATOM 876 CB VAL A 56 1.465 -2.975 -11.090 1.00 0.00 C ATOM 877 CG1 VAL A 56 0.709 -1.655 -11.144 1.00 0.00 C ATOM 878 CG2 VAL A 56 1.778 -3.318 -9.639 1.00 0.00 C ATOM 0 H VAL A 56 -0.163 -4.624 -9.884 1.00 0.00 H new ATOM 0 HA VAL A 56 0.151 -3.702 -12.630 1.00 0.00 H new ATOM 0 HB VAL A 56 2.396 -2.879 -11.649 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.315 -0.870 -10.691 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.499 -1.398 -12.182 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.229 -1.750 -10.597 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.374 -2.520 -9.197 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.847 -3.427 -9.082 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.337 -4.253 -9.599 1.00 0.00 H new ATOM 888 N GLY A 57 1.496 -6.316 -11.383 1.00 0.00 N ATOM 889 CA GLY A 57 2.249 -7.452 -11.793 1.00 0.00 C ATOM 890 C GLY A 57 1.922 -8.658 -10.994 1.00 0.00 C ATOM 891 O GLY A 57 1.356 -8.562 -9.926 1.00 0.00 O ATOM 0 H GLY A 57 1.004 -6.405 -10.494 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.056 -7.653 -12.847 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.313 -7.234 -11.700 1.00 0.00 H new ATOM 895 N SER A 58 2.259 -9.779 -11.509 1.00 0.00 N ATOM 896 CA SER A 58 2.092 -11.004 -10.815 1.00 0.00 C ATOM 897 C SER A 58 3.193 -11.066 -9.771 1.00 0.00 C ATOM 898 O SER A 58 4.340 -11.235 -10.154 1.00 0.00 O ATOM 899 CB SER A 58 2.237 -12.129 -11.827 1.00 0.00 C ATOM 900 OG SER A 58 1.271 -11.993 -12.870 1.00 0.00 O ATOM 0 H SER A 58 2.665 -9.876 -12.439 1.00 0.00 H new ATOM 0 HA SER A 58 1.120 -11.090 -10.330 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.241 -12.118 -12.250 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.111 -13.091 -11.330 1.00 0.00 H new ATOM 0 HG SER A 58 1.379 -12.724 -13.514 1.00 0.00 H new ATOM 906 N ASP A 59 2.822 -10.867 -8.472 1.00 0.00 N ATOM 907 CA ASP A 59 3.704 -10.761 -7.312 1.00 0.00 C ATOM 908 C ASP A 59 3.939 -9.288 -6.959 1.00 0.00 C ATOM 909 O ASP A 59 4.660 -8.964 -6.028 1.00 0.00 O ATOM 910 CB ASP A 59 5.009 -11.651 -7.383 1.00 0.00 C ATOM 911 CG ASP A 59 6.335 -10.948 -7.706 1.00 0.00 C ATOM 912 OD1 ASP A 59 6.462 -10.262 -8.754 1.00 0.00 O ATOM 913 OD2 ASP A 59 7.323 -11.180 -6.974 1.00 0.00 O ATOM 0 H ASP A 59 1.840 -10.774 -8.212 1.00 0.00 H new ATOM 0 HA ASP A 59 3.184 -11.213 -6.467 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.122 -12.157 -6.424 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.847 -12.424 -8.134 1.00 0.00 H new ATOM 918 N ARG A 60 3.230 -8.394 -7.685 1.00 0.00 N ATOM 919 CA ARG A 60 3.281 -6.930 -7.472 1.00 0.00 C ATOM 920 C ARG A 60 1.870 -6.293 -7.459 1.00 0.00 C ATOM 921 O ARG A 60 1.126 -6.344 -8.452 1.00 0.00 O ATOM 922 CB ARG A 60 4.144 -6.219 -8.525 1.00 0.00 C ATOM 923 CG ARG A 60 5.592 -5.970 -8.127 1.00 0.00 C ATOM 924 CD ARG A 60 6.412 -7.228 -7.968 1.00 0.00 C ATOM 925 NE ARG A 60 7.793 -6.918 -7.588 1.00 0.00 N ATOM 926 CZ ARG A 60 8.868 -7.593 -7.980 1.00 0.00 C ATOM 927 NH1 ARG A 60 8.738 -8.780 -8.567 1.00 0.00 N ATOM 928 NH2 ARG A 60 10.073 -7.116 -7.700 1.00 0.00 N ATOM 0 H ARG A 60 2.602 -8.670 -8.440 1.00 0.00 H new ATOM 0 HA ARG A 60 3.739 -6.793 -6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.134 -6.813 -9.439 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.681 -5.261 -8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.061 -5.336 -8.880 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.610 -5.416 -7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 60 5.959 -7.867 -7.210 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.407 -7.789 -8.903 1.00 0.00 H new ATOM 0 HE ARG A 60 7.941 -6.119 -6.972 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.810 -9.175 -8.718 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.566 -9.294 -8.866 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.168 -6.239 -7.188 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.905 -7.626 -7.996 1.00 0.00 H new ATOM 942 N ALA A 61 1.556 -5.621 -6.384 1.00 0.00 N ATOM 943 CA ALA A 61 0.248 -5.030 -6.169 1.00 0.00 C ATOM 944 C ALA A 61 0.425 -3.589 -5.759 1.00 0.00 C ATOM 945 O ALA A 61 1.556 -3.172 -5.498 1.00 0.00 O ATOM 946 CB ALA A 61 -0.476 -5.795 -5.066 1.00 0.00 C ATOM 0 H ALA A 61 2.208 -5.462 -5.616 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.340 -5.080 -7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.459 -5.354 -4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.591 -6.838 -5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.104 -5.741 -4.145 1.00 0.00 H new ATOM 952 N ILE A 62 -0.643 -2.792 -5.742 1.00 0.00 N ATOM 953 CA ILE A 62 -0.506 -1.458 -5.188 1.00 0.00 C ATOM 954 C ILE A 62 -1.684 -1.089 -4.427 1.00 0.00 C ATOM 955 O ILE A 62 -2.834 -1.516 -4.800 1.00 0.00 O ATOM 956 CB ILE A 62 -0.331 -0.278 -6.225 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.588 0.698 -6.244 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.005 -0.762 -7.602 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.366 1.906 -7.111 1.00 0.00 C ATOM 0 H ILE A 62 -1.570 -3.036 -6.090 1.00 0.00 H new ATOM 0 HA ILE A 62 0.407 -1.552 -4.600 1.00 0.00 H new ATOM 0 HB ILE A 62 0.525 0.300 -5.877 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.461 0.153 -6.602 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.809 1.021 -5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.113 0.091 -8.271 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.940 -1.321 -7.573 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.794 -1.409 -7.965 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.254 2.538 -7.088 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.510 2.469 -6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.173 1.588 -8.136 1.00 0.00 H new ATOM 971 N PHE A 63 -1.429 -0.198 -3.470 1.00 0.00 N ATOM 972 CA PHE A 63 -2.457 0.559 -2.825 1.00 0.00 C ATOM 973 C PHE A 63 -2.066 2.053 -2.859 1.00 0.00 C ATOM 974 O PHE A 63 -1.066 2.479 -2.283 1.00 0.00 O ATOM 975 CB PHE A 63 -2.927 0.018 -1.436 1.00 0.00 C ATOM 976 CG PHE A 63 -1.960 -0.013 -0.310 1.00 0.00 C ATOM 977 CD1 PHE A 63 -0.982 -1.009 -0.210 1.00 0.00 C ATOM 978 CD2 PHE A 63 -2.051 0.925 0.700 1.00 0.00 C ATOM 979 CE1 PHE A 63 -0.130 -1.038 0.865 1.00 0.00 C ATOM 980 CE2 PHE A 63 -1.190 0.881 1.739 1.00 0.00 C ATOM 981 CZ PHE A 63 -0.230 -0.090 1.823 1.00 0.00 C ATOM 0 H PHE A 63 -0.489 0.008 -3.130 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.377 0.433 -3.395 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.780 0.619 -1.121 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.291 -0.999 -1.585 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.898 -1.759 -0.983 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.810 1.692 0.659 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.617 -1.814 0.945 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.260 1.626 2.518 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.452 -0.099 2.660 1.00 0.00 H new ATOM 991 N MET A 64 -2.772 2.799 -3.669 1.00 0.00 N ATOM 992 CA MET A 64 -2.483 4.226 -3.863 1.00 0.00 C ATOM 993 C MET A 64 -3.267 5.136 -2.942 1.00 0.00 C ATOM 994 O MET A 64 -4.534 5.203 -2.998 1.00 0.00 O ATOM 995 CB MET A 64 -2.634 4.677 -5.327 1.00 0.00 C ATOM 996 CG MET A 64 -2.339 6.160 -5.545 1.00 0.00 C ATOM 997 SD MET A 64 -2.263 6.622 -7.284 1.00 0.00 S ATOM 998 CE MET A 64 -1.745 8.335 -7.128 1.00 0.00 C ATOM 0 H MET A 64 -3.560 2.453 -4.216 1.00 0.00 H new ATOM 0 HA MET A 64 -1.432 4.326 -3.591 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.963 4.086 -5.951 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.650 4.465 -5.661 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.109 6.753 -5.052 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.391 6.409 -5.068 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.648 8.778 -8.119 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.488 8.889 -6.554 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.784 8.379 -6.615 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.466 5.861 -2.166 1.00 0.00 N ATOM 1009 CA LEU A 65 -2.815 6.853 -1.176 1.00 0.00 C ATOM 1010 C LEU A 65 -3.092 8.181 -1.844 1.00 0.00 C ATOM 1011 O LEU A 65 -2.258 8.705 -2.616 1.00 0.00 O ATOM 1012 CB LEU A 65 -1.608 6.921 -0.148 1.00 0.00 C ATOM 1013 CG LEU A 65 -1.250 8.140 0.699 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -0.165 7.703 1.660 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -0.635 9.193 -0.150 1.00 0.00 C ATOM 0 H LEU A 65 -1.454 5.750 -2.229 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.728 6.592 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.766 6.103 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.712 6.680 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.146 8.518 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.125 8.545 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.539 6.893 2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.701 7.356 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.384 10.057 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.271 8.803 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.340 9.493 -0.926 1.00 0.00 H new ATOM 1027 N ARG A 66 -4.269 8.664 -1.618 1.00 0.00 N ATOM 1028 CA ARG A 66 -4.628 10.008 -2.047 1.00 0.00 C ATOM 1029 C ARG A 66 -4.699 11.065 -0.884 1.00 0.00 C ATOM 1030 O ARG A 66 -4.082 12.121 -1.005 1.00 0.00 O ATOM 1031 CB ARG A 66 -5.854 10.035 -2.993 1.00 0.00 C ATOM 1032 CG ARG A 66 -6.186 11.426 -3.504 1.00 0.00 C ATOM 1033 CD ARG A 66 -7.253 11.420 -4.590 1.00 0.00 C ATOM 1034 NE ARG A 66 -7.531 12.786 -5.064 1.00 0.00 N ATOM 1035 CZ ARG A 66 -7.655 13.159 -6.347 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -7.663 12.244 -7.312 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -7.808 14.444 -6.656 1.00 0.00 N ATOM 0 H ARG A 66 -5.013 8.158 -1.138 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.785 10.342 -2.652 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.664 9.379 -3.842 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.719 9.632 -2.467 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.526 12.042 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.280 11.890 -3.894 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.924 10.801 -5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.168 10.972 -4.203 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.639 13.512 -4.356 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.575 11.255 -7.078 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.757 12.531 -8.286 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.831 15.147 -5.917 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.902 14.726 -7.632 1.00 0.00 H new ATOM 1051 N ASP A 67 -5.409 10.787 0.254 1.00 0.00 N ATOM 1052 CA ASP A 67 -5.500 11.753 1.387 1.00 0.00 C ATOM 1053 C ASP A 67 -4.197 11.806 2.241 1.00 0.00 C ATOM 1054 O ASP A 67 -4.219 11.650 3.462 1.00 0.00 O ATOM 1055 CB ASP A 67 -6.697 11.392 2.268 1.00 0.00 C ATOM 1056 CG ASP A 67 -7.094 12.473 3.240 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -7.495 13.561 2.800 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -7.066 12.227 4.461 1.00 0.00 O ATOM 0 H ASP A 67 -5.917 9.916 0.406 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.634 12.747 0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.549 11.163 1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.464 10.485 2.825 1.00 0.00 H new ATOM 1063 N GLY A 68 -3.090 11.977 1.561 1.00 0.00 N ATOM 1064 CA GLY A 68 -1.754 12.194 2.119 1.00 0.00 C ATOM 1065 C GLY A 68 -1.109 11.156 3.072 1.00 0.00 C ATOM 1066 O GLY A 68 0.096 10.935 2.981 1.00 0.00 O ATOM 0 H GLY A 68 -3.084 11.970 0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.073 12.321 1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.781 13.144 2.653 1.00 0.00 H new ATOM 1070 N SER A 69 -1.863 10.473 3.923 1.00 0.00 N ATOM 1071 CA SER A 69 -1.210 9.610 4.972 1.00 0.00 C ATOM 1072 C SER A 69 -2.130 8.528 5.663 1.00 0.00 C ATOM 1073 O SER A 69 -2.132 8.430 6.887 1.00 0.00 O ATOM 1074 CB SER A 69 -0.636 10.525 6.099 1.00 0.00 C ATOM 1075 OG SER A 69 0.361 11.438 5.625 1.00 0.00 O ATOM 0 H SER A 69 -2.883 10.478 3.934 1.00 0.00 H new ATOM 0 HA SER A 69 -0.448 9.053 4.427 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.451 11.089 6.552 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.206 9.901 6.883 1.00 0.00 H new ATOM 0 HG SER A 69 0.684 11.986 6.371 1.00 0.00 H new ATOM 1081 N TYR A 70 -2.845 7.682 4.919 1.00 0.00 N ATOM 1082 CA TYR A 70 -3.659 6.652 5.556 1.00 0.00 C ATOM 1083 C TYR A 70 -3.273 5.241 5.100 1.00 0.00 C ATOM 1084 O TYR A 70 -3.944 4.282 5.418 1.00 0.00 O ATOM 1085 CB TYR A 70 -5.170 6.921 5.334 1.00 0.00 C ATOM 1086 CG TYR A 70 -5.637 7.241 3.893 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -4.878 6.934 2.746 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -6.851 7.872 3.696 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -5.334 7.243 1.487 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -7.288 8.188 2.449 1.00 0.00 C ATOM 1091 CZ TYR A 70 -6.542 7.871 1.358 1.00 0.00 C ATOM 1092 OH TYR A 70 -6.978 8.259 0.142 1.00 0.00 O ATOM 0 H TYR A 70 -2.876 7.689 3.900 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.458 6.703 6.626 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.721 6.046 5.679 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.461 7.754 5.974 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.921 6.447 2.858 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.464 8.119 4.550 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -4.748 6.994 0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.234 8.694 2.324 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.480 7.527 -0.274 1.00 0.00 H new ATOM 1102 N ALA A 71 -2.125 5.135 4.455 1.00 0.00 N ATOM 1103 CA ALA A 71 -1.706 3.919 3.755 1.00 0.00 C ATOM 1104 C ALA A 71 -0.669 3.084 4.535 1.00 0.00 C ATOM 1105 O ALA A 71 -0.440 1.945 4.245 1.00 0.00 O ATOM 1106 CB ALA A 71 -1.080 4.328 2.422 1.00 0.00 C ATOM 0 H ALA A 71 -1.446 5.894 4.398 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.593 3.298 3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.760 3.437 1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.815 4.869 1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.219 4.970 2.606 1.00 0.00 H new ATOM 1112 N TRP A 72 -0.103 3.621 5.537 1.00 0.00 N ATOM 1113 CA TRP A 72 1.070 3.005 6.135 1.00 0.00 C ATOM 1114 C TRP A 72 0.614 1.926 7.152 1.00 0.00 C ATOM 1115 O TRP A 72 1.223 0.810 7.285 1.00 0.00 O ATOM 1116 CB TRP A 72 2.024 4.147 6.672 1.00 0.00 C ATOM 1117 CG TRP A 72 2.149 5.265 5.602 1.00 0.00 C ATOM 1118 CD1 TRP A 72 1.173 6.163 5.278 1.00 0.00 C ATOM 1119 CD2 TRP A 72 3.256 5.604 4.709 1.00 0.00 C ATOM 1120 NE1 TRP A 72 1.561 6.931 4.242 1.00 0.00 N ATOM 1121 CE2 TRP A 72 2.796 6.650 3.885 1.00 0.00 C ATOM 1122 CE3 TRP A 72 4.546 5.152 4.493 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 3.553 7.230 2.881 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 5.280 5.748 3.490 1.00 0.00 C ATOM 1125 CH2 TRP A 72 4.772 6.773 2.697 1.00 0.00 C ATOM 0 H TRP A 72 -0.411 4.486 5.982 1.00 0.00 H new ATOM 0 HA TRP A 72 1.680 2.453 5.420 1.00 0.00 H new ATOM 0 HB2 TRP A 72 1.628 4.560 7.600 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.007 3.736 6.900 1.00 0.00 H new ATOM 0 HD1 TRP A 72 0.222 6.246 5.783 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.976 7.636 3.794 1.00 0.00 H new ATOM 0 HE3 TRP A 72 4.965 4.357 5.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 3.157 8.029 2.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 6.289 5.406 3.312 1.00 0.00 H new ATOM 0 HH2 TRP A 72 5.388 7.199 1.919 1.00 0.00 H new ATOM 1136 N GLU A 73 -0.537 2.181 7.748 1.00 0.00 N ATOM 1137 CA GLU A 73 -1.162 1.207 8.600 1.00 0.00 C ATOM 1138 C GLU A 73 -1.771 0.129 7.688 1.00 0.00 C ATOM 1139 O GLU A 73 -1.758 -1.085 8.013 1.00 0.00 O ATOM 1140 CB GLU A 73 -2.229 1.873 9.467 1.00 0.00 C ATOM 1141 CG GLU A 73 -2.734 1.006 10.608 1.00 0.00 C ATOM 1142 CD GLU A 73 -1.622 0.585 11.542 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -0.885 1.461 12.047 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -1.471 -0.618 11.821 1.00 0.00 O ATOM 0 H GLU A 73 -1.051 3.057 7.653 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.439 0.754 9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.822 2.796 9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.073 2.151 8.836 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.491 1.553 11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.219 0.119 10.201 1.00 0.00 H new ATOM 1151 N ILE A 74 -2.249 0.577 6.491 1.00 0.00 N ATOM 1152 CA ILE A 74 -2.758 -0.340 5.482 1.00 0.00 C ATOM 1153 C ILE A 74 -1.634 -1.337 5.092 1.00 0.00 C ATOM 1154 O ILE A 74 -1.863 -2.571 4.940 1.00 0.00 O ATOM 1155 CB ILE A 74 -3.297 0.357 4.162 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.529 1.201 4.385 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.681 -0.734 3.226 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -4.768 2.259 3.356 1.00 0.00 C ATOM 0 H ILE A 74 -2.284 1.561 6.223 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.614 -0.838 5.937 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.511 1.013 3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.399 0.545 4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.452 1.677 5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.059 -0.302 2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.809 -1.351 3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.456 -1.349 3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.675 2.810 3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.921 2.945 3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.882 1.795 2.377 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.413 -0.782 4.999 1.00 0.00 N ATOM 1171 CA LYS A 75 0.781 -1.495 4.643 1.00 0.00 C ATOM 1172 C LYS A 75 0.981 -2.627 5.595 1.00 0.00 C ATOM 1173 O LYS A 75 1.090 -3.825 5.171 1.00 0.00 O ATOM 1174 CB LYS A 75 1.963 -0.505 4.667 1.00 0.00 C ATOM 1175 CG LYS A 75 3.353 -1.094 4.834 1.00 0.00 C ATOM 1176 CD LYS A 75 4.382 0.021 4.916 1.00 0.00 C ATOM 1177 CE LYS A 75 5.771 -0.476 5.291 1.00 0.00 C ATOM 1178 NZ LYS A 75 5.815 -1.039 6.656 1.00 0.00 N ATOM 0 H LYS A 75 -0.247 0.208 5.179 1.00 0.00 H new ATOM 0 HA LYS A 75 0.705 -1.918 3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.946 0.065 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.795 0.203 5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.393 -1.704 5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.582 -1.751 3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.433 0.532 3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.055 0.756 5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.088 -1.236 4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.481 0.347 5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.805 -1.160 6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.335 -0.392 7.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.336 -1.962 6.666 1.00 0.00 H new ATOM 1192 N ASP A 76 0.968 -2.272 6.882 1.00 0.00 N ATOM 1193 CA ASP A 76 1.107 -3.283 7.912 1.00 0.00 C ATOM 1194 C ASP A 76 0.071 -4.386 7.780 1.00 0.00 C ATOM 1195 O ASP A 76 0.448 -5.560 7.798 1.00 0.00 O ATOM 1196 CB ASP A 76 1.110 -2.724 9.335 1.00 0.00 C ATOM 1197 CG ASP A 76 2.368 -1.984 9.697 1.00 0.00 C ATOM 1198 OD1 ASP A 76 3.470 -2.590 9.674 1.00 0.00 O ATOM 1199 OD2 ASP A 76 2.290 -0.799 10.076 1.00 0.00 O ATOM 0 H ASP A 76 0.865 -1.316 7.222 1.00 0.00 H new ATOM 0 HA ASP A 76 2.095 -3.712 7.742 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.259 -2.053 9.453 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.968 -3.545 10.038 1.00 0.00 H new ATOM 1204 N PHE A 77 -1.225 -4.030 7.583 1.00 0.00 N ATOM 1205 CA PHE A 77 -2.271 -5.076 7.495 1.00 0.00 C ATOM 1206 C PHE A 77 -1.941 -6.074 6.382 1.00 0.00 C ATOM 1207 O PHE A 77 -1.795 -7.250 6.629 1.00 0.00 O ATOM 1208 CB PHE A 77 -3.695 -4.542 7.217 1.00 0.00 C ATOM 1209 CG PHE A 77 -4.205 -3.417 8.064 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -4.065 -3.435 9.438 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -4.849 -2.333 7.466 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -4.551 -2.398 10.209 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -5.337 -1.296 8.236 1.00 0.00 C ATOM 1214 CZ PHE A 77 -5.187 -1.328 9.607 1.00 0.00 C ATOM 0 H PHE A 77 -1.559 -3.071 7.486 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.271 -5.541 8.481 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.733 -4.219 6.177 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.389 -5.376 7.318 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.570 -4.269 9.914 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.967 -2.305 6.393 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.434 -2.423 11.282 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.835 -0.461 7.766 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.567 -0.517 10.210 1.00 0.00 H new ATOM 1224 N LEU A 78 -1.756 -5.583 5.176 1.00 0.00 N ATOM 1225 CA LEU A 78 -1.538 -6.474 4.019 1.00 0.00 C ATOM 1226 C LEU A 78 -0.373 -7.359 4.159 1.00 0.00 C ATOM 1227 O LEU A 78 -0.514 -8.587 3.998 1.00 0.00 O ATOM 1228 CB LEU A 78 -1.518 -5.722 2.714 1.00 0.00 C ATOM 1229 CG LEU A 78 -2.825 -5.046 2.366 1.00 0.00 C ATOM 1230 CD1 LEU A 78 -2.861 -4.806 0.902 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -3.975 -5.920 2.761 1.00 0.00 C ATOM 0 H LEU A 78 -1.749 -4.587 4.955 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.406 -7.134 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.732 -4.968 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.256 -6.414 1.913 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.904 -4.100 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.799 -4.318 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.026 -4.166 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.785 -5.757 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.912 -5.425 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.910 -6.869 2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.941 -6.103 3.835 1.00 0.00 H new ATOM 1243 N VAL A 79 0.754 -6.825 4.535 1.00 0.00 N ATOM 1244 CA VAL A 79 1.873 -7.712 4.661 1.00 0.00 C ATOM 1245 C VAL A 79 1.856 -8.514 5.949 1.00 0.00 C ATOM 1246 O VAL A 79 2.674 -9.402 6.151 1.00 0.00 O ATOM 1247 CB VAL A 79 3.221 -7.086 4.345 1.00 0.00 C ATOM 1248 CG1 VAL A 79 3.267 -6.775 2.859 1.00 0.00 C ATOM 1249 CG2 VAL A 79 3.451 -5.842 5.169 1.00 0.00 C ATOM 0 H VAL A 79 0.920 -5.841 4.748 1.00 0.00 H new ATOM 0 HA VAL A 79 1.735 -8.439 3.861 1.00 0.00 H new ATOM 0 HB VAL A 79 4.019 -7.784 4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.228 -6.324 2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.141 -7.696 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.465 -6.081 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.423 -5.416 4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.670 -5.113 4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.426 -6.097 6.228 1.00 0.00 H new ATOM 1259 N SER A 80 0.926 -8.215 6.816 1.00 0.00 N ATOM 1260 CA SER A 80 0.725 -9.042 7.957 1.00 0.00 C ATOM 1261 C SER A 80 -0.569 -9.873 7.808 1.00 0.00 C ATOM 1262 O SER A 80 -0.945 -10.598 8.746 1.00 0.00 O ATOM 1263 CB SER A 80 0.665 -8.197 9.228 1.00 0.00 C ATOM 1264 OG SER A 80 1.777 -7.305 9.295 1.00 0.00 O ATOM 0 H SER A 80 0.304 -7.409 6.748 1.00 0.00 H new ATOM 0 HA SER A 80 1.570 -9.727 8.033 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.265 -7.629 9.249 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.661 -8.847 10.103 1.00 0.00 H new ATOM 0 HG SER A 80 1.581 -6.498 8.775 1.00 0.00 H new ATOM 1270 N GLN A 81 -1.285 -9.800 6.647 1.00 0.00 N ATOM 1271 CA GLN A 81 -2.516 -10.565 6.573 1.00 0.00 C ATOM 1272 C GLN A 81 -2.453 -11.565 5.506 1.00 0.00 C ATOM 1273 O GLN A 81 -3.118 -12.604 5.568 1.00 0.00 O ATOM 1274 CB GLN A 81 -3.776 -9.689 6.492 1.00 0.00 C ATOM 1275 CG GLN A 81 -4.110 -9.002 7.814 1.00 0.00 C ATOM 1276 CD GLN A 81 -5.347 -8.125 7.757 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -6.268 -8.368 6.972 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -5.405 -7.139 8.616 1.00 0.00 N ATOM 0 H GLN A 81 -1.037 -9.256 5.820 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.608 -11.100 7.518 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.637 -8.932 5.720 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.621 -10.305 6.185 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.251 -9.763 8.582 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.259 -8.394 8.121 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.624 -6.968 9.250 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.231 -6.542 8.652 1.00 0.00 H new ATOM 1287 N ASP A 82 -1.640 -11.304 4.544 1.00 0.00 N ATOM 1288 CA ASP A 82 -1.456 -12.241 3.518 1.00 0.00 C ATOM 1289 C ASP A 82 0.043 -12.266 3.167 1.00 0.00 C ATOM 1290 O ASP A 82 0.851 -11.781 3.980 1.00 0.00 O ATOM 1291 CB ASP A 82 -2.419 -11.947 2.344 1.00 0.00 C ATOM 1292 CG ASP A 82 -2.659 -13.183 1.499 1.00 0.00 C ATOM 1293 OD1 ASP A 82 -1.777 -13.596 0.715 1.00 0.00 O ATOM 1294 OD2 ASP A 82 -3.748 -13.811 1.662 1.00 0.00 O ATOM 0 H ASP A 82 -1.096 -10.446 4.455 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.720 -13.253 3.824 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.369 -11.582 2.734 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.004 -11.154 1.721 1.00 0.00 H new ATOM 1299 N ARG A 83 0.421 -12.822 2.037 1.00 0.00 N ATOM 1300 CA ARG A 83 1.814 -13.033 1.687 1.00 0.00 C ATOM 1301 C ARG A 83 2.575 -11.698 1.624 1.00 0.00 C ATOM 1302 O ARG A 83 2.097 -10.721 1.055 1.00 0.00 O ATOM 1303 CB ARG A 83 1.893 -13.746 0.350 1.00 0.00 C ATOM 1304 CG ARG A 83 3.249 -14.322 0.031 1.00 0.00 C ATOM 1305 CD ARG A 83 3.518 -15.559 0.863 1.00 0.00 C ATOM 1306 NE ARG A 83 2.602 -16.657 0.507 1.00 0.00 N ATOM 1307 CZ ARG A 83 2.437 -17.786 1.216 1.00 0.00 C ATOM 1308 NH1 ARG A 83 3.053 -17.936 2.381 1.00 0.00 N ATOM 1309 NH2 ARG A 83 1.645 -18.751 0.763 1.00 0.00 N ATOM 0 H ARG A 83 -0.235 -13.145 1.326 1.00 0.00 H new ATOM 0 HA ARG A 83 2.281 -13.647 2.457 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.158 -14.551 0.337 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.614 -13.047 -0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.303 -14.572 -1.029 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.020 -13.575 0.222 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.549 -15.881 0.716 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.407 -15.319 1.920 1.00 0.00 H new ATOM 0 HE ARG A 83 2.050 -16.552 -0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.653 -17.193 2.740 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.927 -18.794 2.918 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.159 -18.637 -0.127 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.523 -19.607 1.305 1.00 0.00 H new ATOM 1323 N CYS A 84 3.757 -11.677 2.182 1.00 0.00 N ATOM 1324 CA CYS A 84 4.516 -10.465 2.299 1.00 0.00 C ATOM 1325 C CYS A 84 5.939 -10.634 1.811 1.00 0.00 C ATOM 1326 O CYS A 84 6.501 -11.729 1.904 1.00 0.00 O ATOM 1327 CB CYS A 84 4.532 -10.056 3.763 1.00 0.00 C ATOM 1328 SG CYS A 84 5.123 -11.341 4.901 1.00 0.00 S ATOM 0 H CYS A 84 4.218 -12.501 2.567 1.00 0.00 H new ATOM 0 HA CYS A 84 4.048 -9.701 1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 84 5.163 -9.174 3.873 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.523 -9.765 4.056 1.00 0.00 H new ATOM 0 HG CYS A 84 5.098 -10.887 6.119 1.00 0.00 H new ATOM 1334 N ALA A 85 6.492 -9.585 1.231 1.00 0.00 N ATOM 1335 CA ALA A 85 7.886 -9.529 0.897 1.00 0.00 C ATOM 1336 C ALA A 85 8.373 -8.097 0.822 1.00 0.00 C ATOM 1337 O ALA A 85 9.473 -7.803 1.280 1.00 0.00 O ATOM 1338 CB ALA A 85 8.204 -10.292 -0.370 1.00 0.00 C ATOM 0 H ALA A 85 5.973 -8.744 0.980 1.00 0.00 H new ATOM 0 HA ALA A 85 8.428 -10.024 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.271 -10.220 -0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.930 -11.339 -0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.641 -9.868 -1.201 1.00 0.00 H new ATOM 1344 N GLU A 86 7.558 -7.182 0.288 1.00 0.00 N ATOM 1345 CA GLU A 86 8.021 -5.830 0.134 1.00 0.00 C ATOM 1346 C GLU A 86 6.857 -4.858 0.154 1.00 0.00 C ATOM 1347 O GLU A 86 5.880 -5.057 -0.530 1.00 0.00 O ATOM 1348 CB GLU A 86 8.788 -5.738 -1.187 1.00 0.00 C ATOM 1349 CG GLU A 86 9.364 -4.388 -1.535 1.00 0.00 C ATOM 1350 CD GLU A 86 10.113 -4.444 -2.830 1.00 0.00 C ATOM 1351 OE1 GLU A 86 11.316 -4.765 -2.817 1.00 0.00 O ATOM 1352 OE2 GLU A 86 9.521 -4.178 -3.889 1.00 0.00 O ATOM 0 H GLU A 86 6.606 -7.359 -0.031 1.00 0.00 H new ATOM 0 HA GLU A 86 8.677 -5.563 0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.603 -6.461 -1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.119 -6.042 -1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.562 -3.653 -1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.031 -4.056 -0.739 1.00 0.00 H new ATOM 1359 N VAL A 87 6.955 -3.857 0.968 1.00 0.00 N ATOM 1360 CA VAL A 87 5.989 -2.784 1.016 1.00 0.00 C ATOM 1361 C VAL A 87 6.727 -1.463 0.906 1.00 0.00 C ATOM 1362 O VAL A 87 7.176 -0.900 1.907 1.00 0.00 O ATOM 1363 CB VAL A 87 5.126 -2.794 2.329 1.00 0.00 C ATOM 1364 CG1 VAL A 87 3.775 -3.482 2.139 1.00 0.00 C ATOM 1365 CG2 VAL A 87 5.882 -3.471 3.480 1.00 0.00 C ATOM 0 H VAL A 87 7.720 -3.751 1.635 1.00 0.00 H new ATOM 0 HA VAL A 87 5.298 -2.923 0.184 1.00 0.00 H new ATOM 0 HB VAL A 87 4.940 -1.749 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.220 -3.460 3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.206 -2.961 1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.933 -4.517 1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.262 -3.464 4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.114 -4.500 3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.808 -2.930 3.675 1.00 0.00 H new ATOM 1375 N THR A 88 6.864 -0.963 -0.297 1.00 0.00 N ATOM 1376 CA THR A 88 7.583 0.262 -0.498 1.00 0.00 C ATOM 1377 C THR A 88 6.669 1.339 -1.052 1.00 0.00 C ATOM 1378 O THR A 88 6.155 1.251 -2.196 1.00 0.00 O ATOM 1379 CB THR A 88 8.826 0.056 -1.378 1.00 0.00 C ATOM 1380 OG1 THR A 88 8.480 -0.698 -2.563 1.00 0.00 O ATOM 1381 CG2 THR A 88 9.915 -0.680 -0.609 1.00 0.00 C ATOM 0 H THR A 88 6.488 -1.386 -1.146 1.00 0.00 H new ATOM 0 HA THR A 88 7.942 0.601 0.474 1.00 0.00 H new ATOM 0 HB THR A 88 9.201 1.037 -1.669 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.560 -0.488 -2.827 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.786 -0.815 -1.251 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.198 -0.098 0.268 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.542 -1.654 -0.293 1.00 0.00 H new ATOM 1389 N LEU A 89 6.406 2.330 -0.245 1.00 0.00 N ATOM 1390 CA LEU A 89 5.505 3.332 -0.654 1.00 0.00 C ATOM 1391 C LEU A 89 6.174 4.606 -1.074 1.00 0.00 C ATOM 1392 O LEU A 89 6.425 5.462 -0.232 1.00 0.00 O ATOM 1393 CB LEU A 89 4.571 3.762 0.461 1.00 0.00 C ATOM 1394 CG LEU A 89 3.951 2.756 1.403 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.888 2.471 2.528 1.00 0.00 C ATOM 1396 CD2 LEU A 89 2.746 3.354 1.978 1.00 0.00 C ATOM 0 H LEU A 89 6.805 2.451 0.686 1.00 0.00 H new ATOM 0 HA LEU A 89 4.980 2.861 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.119 4.476 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.750 4.307 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 89 3.728 1.838 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.435 1.745 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.820 2.066 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.095 3.393 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.280 2.646 2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.013 4.261 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.046 3.601 1.180 1.00 0.00 H new