USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 554 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 58 LYS NZ :NH3+ 138:sc= -0.197 (180deg=-0.0376) USER MOD Set 1.2: A 67 LYS NZ :NH3+ -107:sc= 0.303 (180deg=-0.464) USER MOD Single : A 22 ASN : amide:sc=-0.00665 K(o=-0.0066,f=-1.2) USER MOD Single : A 23 SER OG : rot 68:sc= -1.13! USER MOD Single : A 24 MET CE :methyl 164:sc= -0.0381 (180deg=-0.106) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 28 LYS NZ :NH3+ -143:sc= -1.02 (180deg=-2.42) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= -0.0827 (180deg=-0.552) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 30:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= 0.889 (180deg=0.379) USER MOD Single : A 48 GLN : amide:sc= -2.56 K(o=-2.6,f=-7.1!) USER MOD Single : A 50 THR OG1 : rot -83:sc= 0.741 USER MOD Single : A 54 CYS SG : rot 105:sc= -0.0523 USER MOD Single : A 55 ASN : amide:sc= -1.72 K(o=-1.7,f=-2.8!) USER MOD Single : A 56 MET CE :methyl -156:sc= -0.742 (180deg=-2.41!) USER MOD Single : A 66 ASN : amide:sc= -4.41 K(o=-4.4,f=-11!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -1.63! X(o=-1.6!,f=-1.2) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.929 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 246 N ASP A 19 0.724 0.966 -11.269 1.00 0.00 N ATOM 247 CA ASP A 19 -0.515 1.036 -10.502 1.00 0.00 C ATOM 248 C ASP A 19 -0.275 1.686 -9.143 1.00 0.00 C ATOM 249 O ASP A 19 -0.971 2.629 -8.763 1.00 0.00 O ATOM 250 CB ASP A 19 -1.103 -0.363 -10.315 1.00 0.00 C ATOM 251 CG ASP A 19 -2.614 -0.343 -10.192 1.00 0.00 C ATOM 252 OD1 ASP A 19 -3.127 0.363 -9.299 1.00 0.00 O ATOM 253 OD2 ASP A 19 -3.284 -1.035 -10.987 1.00 0.00 O ATOM 0 HA ASP A 19 -1.225 1.648 -11.058 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.818 -0.990 -11.160 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.674 -0.818 -9.422 1.00 0.00 H new ATOM 258 N PHE A 20 0.712 1.176 -8.414 1.00 0.00 N ATOM 259 CA PHE A 20 1.041 1.706 -7.096 1.00 0.00 C ATOM 260 C PHE A 20 1.366 3.195 -7.173 1.00 0.00 C ATOM 261 O PHE A 20 0.686 4.020 -6.564 1.00 0.00 O ATOM 262 CB PHE A 20 2.227 0.945 -6.499 1.00 0.00 C ATOM 263 CG PHE A 20 2.472 1.257 -5.050 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.796 0.570 -4.056 1.00 0.00 C ATOM 265 CD2 PHE A 20 3.380 2.238 -4.684 1.00 0.00 C ATOM 266 CE1 PHE A 20 2.019 0.857 -2.722 1.00 0.00 C ATOM 267 CE2 PHE A 20 3.607 2.529 -3.352 1.00 0.00 C ATOM 268 CZ PHE A 20 2.927 1.836 -2.370 1.00 0.00 C ATOM 0 H PHE A 20 1.298 0.397 -8.714 1.00 0.00 H new ATOM 0 HA PHE A 20 0.171 1.575 -6.452 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.053 -0.126 -6.607 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.125 1.182 -7.070 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.087 -0.199 -4.326 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.916 2.781 -5.448 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.483 0.316 -1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.315 3.297 -3.080 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.105 2.059 -1.328 1.00 0.00 H new ATOM 278 N GLU A 21 2.409 3.529 -7.927 1.00 0.00 N ATOM 279 CA GLU A 21 2.824 4.918 -8.083 1.00 0.00 C ATOM 280 C GLU A 21 1.622 5.817 -8.361 1.00 0.00 C ATOM 281 O GLU A 21 1.572 6.960 -7.908 1.00 0.00 O ATOM 282 CB GLU A 21 3.843 5.045 -9.217 1.00 0.00 C ATOM 283 CG GLU A 21 5.279 4.831 -8.772 1.00 0.00 C ATOM 284 CD GLU A 21 6.283 5.466 -9.715 1.00 0.00 C ATOM 285 OE1 GLU A 21 6.399 6.709 -9.710 1.00 0.00 O ATOM 286 OE2 GLU A 21 6.952 4.718 -10.459 1.00 0.00 O ATOM 0 H GLU A 21 2.981 2.857 -8.439 1.00 0.00 H new ATOM 0 HA GLU A 21 3.288 5.239 -7.150 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.601 4.320 -9.994 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.754 6.035 -9.665 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.412 5.246 -7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.478 3.762 -8.702 1.00 0.00 H new ATOM 293 N ASN A 22 0.658 5.291 -9.108 1.00 0.00 N ATOM 294 CA ASN A 22 -0.543 6.046 -9.448 1.00 0.00 C ATOM 295 C ASN A 22 -1.471 6.163 -8.242 1.00 0.00 C ATOM 296 O ASN A 22 -2.002 7.236 -7.957 1.00 0.00 O ATOM 297 CB ASN A 22 -1.280 5.376 -10.609 1.00 0.00 C ATOM 298 CG ASN A 22 -0.536 5.514 -11.923 1.00 0.00 C ATOM 299 OD1 ASN A 22 0.200 6.479 -12.134 1.00 0.00 O ATOM 300 ND2 ASN A 22 -0.725 4.549 -12.815 1.00 0.00 N ATOM 0 H ASN A 22 0.684 4.345 -9.490 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.239 7.048 -9.749 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.422 4.319 -10.384 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.272 5.816 -10.708 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.251 4.589 -13.717 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.344 3.768 -12.598 1.00 0.00 H new ATOM 307 N SER A 23 -1.661 5.052 -7.538 1.00 0.00 N ATOM 308 CA SER A 23 -2.527 5.029 -6.365 1.00 0.00 C ATOM 309 C SER A 23 -2.010 5.980 -5.290 1.00 0.00 C ATOM 310 O SER A 23 -2.714 6.895 -4.865 1.00 0.00 O ATOM 311 CB SER A 23 -2.622 3.609 -5.803 1.00 0.00 C ATOM 312 OG SER A 23 -3.156 2.715 -6.765 1.00 0.00 O ATOM 0 H SER A 23 -1.227 4.156 -7.759 1.00 0.00 H new ATOM 0 HA SER A 23 -3.520 5.359 -6.670 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.633 3.269 -5.495 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.251 3.608 -4.912 1.00 0.00 H new ATOM 0 HG SER A 23 -2.514 2.601 -7.497 1.00 0.00 H new ATOM 318 N MET A 24 -0.775 5.755 -4.854 1.00 0.00 N ATOM 319 CA MET A 24 -0.162 6.592 -3.829 1.00 0.00 C ATOM 320 C MET A 24 -0.297 8.070 -4.182 1.00 0.00 C ATOM 321 O MET A 24 -0.484 8.912 -3.305 1.00 0.00 O ATOM 322 CB MET A 24 1.314 6.229 -3.658 1.00 0.00 C ATOM 323 CG MET A 24 2.104 6.270 -4.956 1.00 0.00 C ATOM 324 SD MET A 24 3.832 6.719 -4.704 1.00 0.00 S ATOM 325 CE MET A 24 4.080 7.881 -6.044 1.00 0.00 C ATOM 0 H MET A 24 -0.179 5.000 -5.194 1.00 0.00 H new ATOM 0 HA MET A 24 -0.683 6.412 -2.889 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.768 6.916 -2.944 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.387 5.229 -3.229 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.053 5.294 -5.439 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.642 6.986 -5.635 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.988 8.456 -5.863 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.176 7.337 -6.984 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.227 8.558 -6.101 1.00 0.00 H new ATOM 335 N ASN A 25 -0.200 8.377 -5.471 1.00 0.00 N ATOM 336 CA ASN A 25 -0.310 9.754 -5.940 1.00 0.00 C ATOM 337 C ASN A 25 -1.700 10.315 -5.656 1.00 0.00 C ATOM 338 O ASN A 25 -1.838 11.416 -5.124 1.00 0.00 O ATOM 339 CB ASN A 25 -0.012 9.830 -7.438 1.00 0.00 C ATOM 340 CG ASN A 25 0.085 11.259 -7.937 1.00 0.00 C ATOM 341 OD1 ASN A 25 0.221 12.195 -7.148 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.016 11.433 -9.251 1.00 0.00 N ATOM 0 H ASN A 25 -0.045 7.691 -6.210 1.00 0.00 H new ATOM 0 HA ASN A 25 0.422 10.355 -5.401 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.924 9.311 -7.646 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.795 9.308 -7.988 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.076 12.372 -9.645 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.097 10.628 -9.867 1.00 0.00 H new ATOM 349 N GLN A 26 -2.725 9.550 -6.016 1.00 0.00 N ATOM 350 CA GLN A 26 -4.105 9.971 -5.800 1.00 0.00 C ATOM 351 C GLN A 26 -4.320 10.411 -4.356 1.00 0.00 C ATOM 352 O GLN A 26 -5.004 11.401 -4.092 1.00 0.00 O ATOM 353 CB GLN A 26 -5.068 8.835 -6.148 1.00 0.00 C ATOM 354 CG GLN A 26 -5.078 8.478 -7.626 1.00 0.00 C ATOM 355 CD GLN A 26 -6.045 7.356 -7.948 1.00 0.00 C ATOM 356 OE1 GLN A 26 -5.634 6.233 -8.245 1.00 0.00 O ATOM 357 NE2 GLN A 26 -7.337 7.653 -7.892 1.00 0.00 N ATOM 0 H GLN A 26 -2.627 8.636 -6.458 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.305 10.820 -6.453 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.798 7.951 -5.571 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.076 9.118 -5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.345 9.361 -8.207 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.073 8.186 -7.932 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.633 8.596 -7.642 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.034 6.938 -8.099 1.00 0.00 H new ATOM 366 N VAL A 27 -3.732 9.670 -3.422 1.00 0.00 N ATOM 367 CA VAL A 27 -3.859 9.983 -2.004 1.00 0.00 C ATOM 368 C VAL A 27 -3.245 11.342 -1.685 1.00 0.00 C ATOM 369 O VAL A 27 -3.656 12.015 -0.740 1.00 0.00 O ATOM 370 CB VAL A 27 -3.185 8.909 -1.129 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.268 9.289 0.341 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.820 7.549 -1.373 1.00 0.00 C ATOM 0 H VAL A 27 -3.162 8.848 -3.623 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.925 10.007 -1.779 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.132 8.848 -1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.787 8.519 0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.763 10.242 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.314 9.379 0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.332 6.802 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.881 7.593 -1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.703 7.276 -2.422 1.00 0.00 H new ATOM 382 N LYS A 28 -2.257 11.740 -2.479 1.00 0.00 N ATOM 383 CA LYS A 28 -1.585 13.019 -2.284 1.00 0.00 C ATOM 384 C LYS A 28 -2.323 14.138 -3.012 1.00 0.00 C ATOM 385 O LYS A 28 -2.085 15.320 -2.759 1.00 0.00 O ATOM 386 CB LYS A 28 -0.139 12.940 -2.779 1.00 0.00 C ATOM 387 CG LYS A 28 0.679 11.858 -2.098 1.00 0.00 C ATOM 388 CD LYS A 28 1.938 11.532 -2.884 1.00 0.00 C ATOM 389 CE LYS A 28 2.742 10.427 -2.217 1.00 0.00 C ATOM 390 NZ LYS A 28 2.035 9.117 -2.270 1.00 0.00 N ATOM 0 H LYS A 28 -1.903 11.194 -3.265 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.585 13.242 -1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.141 12.759 -3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.344 13.904 -2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.950 12.184 -1.094 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.074 10.958 -1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.668 11.227 -3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.553 12.427 -2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.711 10.337 -2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.934 10.694 -1.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.204 8.595 -1.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.014 9.278 -2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.393 8.562 -3.073 1.00 0.00 H new ATOM 519 N ASN A 36 -7.136 9.922 10.417 1.00 0.00 N ATOM 520 CA ASN A 36 -5.910 9.196 10.727 1.00 0.00 C ATOM 521 C ASN A 36 -6.097 7.697 10.517 1.00 0.00 C ATOM 522 O ASN A 36 -5.125 6.949 10.415 1.00 0.00 O ATOM 523 CB ASN A 36 -5.482 9.471 12.170 1.00 0.00 C ATOM 524 CG ASN A 36 -4.580 10.684 12.285 1.00 0.00 C ATOM 525 OD1 ASN A 36 -5.039 11.787 12.584 1.00 0.00 O ATOM 526 ND2 ASN A 36 -3.289 10.486 12.046 1.00 0.00 N ATOM 0 HA ASN A 36 -5.130 9.544 10.050 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.368 9.621 12.786 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.963 8.597 12.565 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.634 11.265 12.107 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.953 9.555 11.801 1.00 0.00 H new ATOM 533 N GLU A 37 -7.353 7.266 10.452 1.00 0.00 N ATOM 534 CA GLU A 37 -7.667 5.856 10.254 1.00 0.00 C ATOM 535 C GLU A 37 -7.074 5.345 8.944 1.00 0.00 C ATOM 536 O GLU A 37 -6.348 4.351 8.924 1.00 0.00 O ATOM 537 CB GLU A 37 -9.182 5.642 10.258 1.00 0.00 C ATOM 538 CG GLU A 37 -9.600 4.237 9.859 1.00 0.00 C ATOM 539 CD GLU A 37 -9.575 3.267 11.024 1.00 0.00 C ATOM 540 OE1 GLU A 37 -9.926 3.682 12.149 1.00 0.00 O ATOM 541 OE2 GLU A 37 -9.204 2.094 10.811 1.00 0.00 O ATOM 0 H GLU A 37 -8.169 7.873 10.534 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.226 5.293 11.077 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.568 5.858 11.254 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.643 6.356 9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.605 4.267 9.438 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.936 3.874 9.074 1.00 0.00 H new ATOM 548 N VAL A 38 -7.389 6.033 7.851 1.00 0.00 N ATOM 549 CA VAL A 38 -6.888 5.650 6.536 1.00 0.00 C ATOM 550 C VAL A 38 -5.402 5.963 6.403 1.00 0.00 C ATOM 551 O VAL A 38 -4.633 5.164 5.866 1.00 0.00 O ATOM 552 CB VAL A 38 -7.656 6.370 5.412 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.684 7.870 5.660 1.00 0.00 C ATOM 554 CG2 VAL A 38 -7.035 6.057 4.058 1.00 0.00 C ATOM 0 H VAL A 38 -7.989 6.858 7.850 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.040 4.575 6.439 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.684 6.007 5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.231 8.362 4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.177 8.072 6.611 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.664 8.253 5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.590 6.574 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.997 6.390 4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.072 4.982 3.880 1.00 0.00 H new ATOM 564 N LYS A 39 -5.002 7.130 6.895 1.00 0.00 N ATOM 565 CA LYS A 39 -3.606 7.550 6.833 1.00 0.00 C ATOM 566 C LYS A 39 -2.682 6.437 7.316 1.00 0.00 C ATOM 567 O LYS A 39 -1.515 6.373 6.928 1.00 0.00 O ATOM 568 CB LYS A 39 -3.393 8.807 7.678 1.00 0.00 C ATOM 569 CG LYS A 39 -3.770 10.093 6.962 1.00 0.00 C ATOM 570 CD LYS A 39 -5.225 10.459 7.203 1.00 0.00 C ATOM 571 CE LYS A 39 -5.434 11.965 7.165 1.00 0.00 C ATOM 572 NZ LYS A 39 -4.730 12.651 8.283 1.00 0.00 N ATOM 0 H LYS A 39 -5.625 7.803 7.342 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.365 7.773 5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.981 8.724 8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.346 8.861 7.976 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.128 10.904 7.306 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.595 9.980 5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.851 9.984 6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.544 10.071 8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.074 12.358 6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.500 12.185 7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.213 13.546 8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.737 12.040 9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.747 12.847 8.006 1.00 0.00 H new ATOM 586 N LEU A 40 -3.210 5.560 8.163 1.00 0.00 N ATOM 587 CA LEU A 40 -2.433 4.448 8.698 1.00 0.00 C ATOM 588 C LEU A 40 -2.485 3.246 7.760 1.00 0.00 C ATOM 589 O LEU A 40 -1.456 2.655 7.432 1.00 0.00 O ATOM 590 CB LEU A 40 -2.954 4.053 10.080 1.00 0.00 C ATOM 591 CG LEU A 40 -2.765 5.089 11.189 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.699 4.800 12.355 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.317 5.112 11.657 1.00 0.00 C ATOM 0 H LEU A 40 -4.174 5.598 8.494 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.396 4.772 8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.018 3.830 9.995 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.458 3.131 10.383 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.012 6.072 10.787 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.550 5.547 13.134 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.733 4.836 12.011 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.484 3.810 12.756 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.201 5.855 12.446 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.043 4.129 12.041 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.668 5.368 10.820 1.00 0.00 H new ATOM 605 N LYS A 41 -3.691 2.891 7.329 1.00 0.00 N ATOM 606 CA LYS A 41 -3.879 1.762 6.426 1.00 0.00 C ATOM 607 C LYS A 41 -3.044 1.932 5.161 1.00 0.00 C ATOM 608 O LYS A 41 -2.552 0.956 4.593 1.00 0.00 O ATOM 609 CB LYS A 41 -5.358 1.618 6.057 1.00 0.00 C ATOM 610 CG LYS A 41 -5.749 2.378 4.802 1.00 0.00 C ATOM 611 CD LYS A 41 -7.182 2.081 4.393 1.00 0.00 C ATOM 612 CE LYS A 41 -8.095 1.973 5.604 1.00 0.00 C ATOM 613 NZ LYS A 41 -9.490 1.624 5.217 1.00 0.00 N ATOM 0 H LYS A 41 -4.553 3.369 7.591 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.549 0.859 6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.588 0.562 5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.967 1.970 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.633 3.448 4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.075 2.110 3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.544 2.869 3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.215 1.150 3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.707 1.216 6.285 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.094 2.919 6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.081 1.560 6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.870 2.359 4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.495 0.709 4.723 1.00 0.00 H new ATOM 627 N LEU A 42 -2.886 3.177 4.724 1.00 0.00 N ATOM 628 CA LEU A 42 -2.108 3.475 3.527 1.00 0.00 C ATOM 629 C LEU A 42 -0.614 3.337 3.800 1.00 0.00 C ATOM 630 O LEU A 42 0.166 3.021 2.901 1.00 0.00 O ATOM 631 CB LEU A 42 -2.419 4.889 3.032 1.00 0.00 C ATOM 632 CG LEU A 42 -3.538 5.006 1.997 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.303 4.042 0.844 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.891 4.747 2.643 1.00 0.00 C ATOM 0 H LEU A 42 -3.287 3.996 5.181 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.385 2.757 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.681 5.504 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.510 5.311 2.604 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.535 6.021 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.110 4.140 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.352 4.274 0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.278 3.020 1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.676 4.834 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.905 3.743 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.063 5.478 3.433 1.00 0.00 H new ATOM 646 N TYR A 43 -0.221 3.574 5.047 1.00 0.00 N ATOM 647 CA TYR A 43 1.180 3.476 5.439 1.00 0.00 C ATOM 648 C TYR A 43 1.559 2.032 5.752 1.00 0.00 C ATOM 649 O TYR A 43 2.694 1.613 5.528 1.00 0.00 O ATOM 650 CB TYR A 43 1.454 4.362 6.655 1.00 0.00 C ATOM 651 CG TYR A 43 2.518 3.812 7.578 1.00 0.00 C ATOM 652 CD1 TYR A 43 2.187 2.945 8.612 1.00 0.00 C ATOM 653 CD2 TYR A 43 3.854 4.158 7.415 1.00 0.00 C ATOM 654 CE1 TYR A 43 3.156 2.440 9.458 1.00 0.00 C ATOM 655 CE2 TYR A 43 4.829 3.657 8.255 1.00 0.00 C ATOM 656 CZ TYR A 43 4.475 2.799 9.275 1.00 0.00 C ATOM 657 OH TYR A 43 5.443 2.297 10.115 1.00 0.00 O ATOM 0 H TYR A 43 -0.853 3.835 5.804 1.00 0.00 H new ATOM 0 HA TYR A 43 1.789 3.819 4.603 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.758 5.351 6.312 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.529 4.490 7.217 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.155 2.661 8.757 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.135 4.830 6.618 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.882 1.768 10.258 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.863 3.936 8.114 1.00 0.00 H new ATOM 0 HH TYR A 43 5.172 1.411 10.434 1.00 0.00 H new ATOM 667 N ALA A 44 0.598 1.275 6.272 1.00 0.00 N ATOM 668 CA ALA A 44 0.828 -0.123 6.614 1.00 0.00 C ATOM 669 C ALA A 44 1.308 -0.913 5.402 1.00 0.00 C ATOM 670 O ALA A 44 2.269 -1.679 5.488 1.00 0.00 O ATOM 671 CB ALA A 44 -0.440 -0.743 7.182 1.00 0.00 C ATOM 0 H ALA A 44 -0.347 1.607 6.465 1.00 0.00 H new ATOM 0 HA ALA A 44 1.610 -0.162 7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.254 -1.787 7.433 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.739 -0.202 8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.237 -0.685 6.441 1.00 0.00 H new ATOM 677 N LEU A 45 0.634 -0.724 4.273 1.00 0.00 N ATOM 678 CA LEU A 45 0.992 -1.420 3.042 1.00 0.00 C ATOM 679 C LEU A 45 2.303 -0.885 2.476 1.00 0.00 C ATOM 680 O LEU A 45 3.175 -1.654 2.070 1.00 0.00 O ATOM 681 CB LEU A 45 -0.123 -1.270 2.006 1.00 0.00 C ATOM 682 CG LEU A 45 -1.325 -2.201 2.173 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.865 -3.609 2.514 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.266 -1.670 3.244 1.00 0.00 C ATOM 0 H LEU A 45 -0.164 -0.094 4.184 1.00 0.00 H new ATOM 0 HA LEU A 45 1.123 -2.477 3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.480 -0.240 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.303 -1.434 1.016 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.867 -2.237 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.733 -4.258 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.232 -3.989 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.299 -3.591 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.115 -2.345 3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.736 -1.603 4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.622 -0.681 2.957 1.00 0.00 H new ATOM 696 N TYR A 46 2.437 0.436 2.453 1.00 0.00 N ATOM 697 CA TYR A 46 3.642 1.074 1.936 1.00 0.00 C ATOM 698 C TYR A 46 4.894 0.408 2.498 1.00 0.00 C ATOM 699 O TYR A 46 5.750 -0.065 1.750 1.00 0.00 O ATOM 700 CB TYR A 46 3.644 2.564 2.282 1.00 0.00 C ATOM 701 CG TYR A 46 4.994 3.223 2.113 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.575 3.349 0.856 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.690 3.719 3.208 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.808 3.950 0.696 1.00 0.00 C ATOM 705 CE2 TYR A 46 6.923 4.323 3.057 1.00 0.00 C ATOM 706 CZ TYR A 46 7.478 4.435 1.800 1.00 0.00 C ATOM 707 OH TYR A 46 8.708 5.035 1.646 1.00 0.00 O ATOM 0 H TYR A 46 1.726 1.087 2.787 1.00 0.00 H new ATOM 0 HA TYR A 46 3.647 0.960 0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.918 3.076 1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.314 2.689 3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.053 2.970 -0.010 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.260 3.631 4.195 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.245 4.040 -0.288 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.449 4.705 3.919 1.00 0.00 H new ATOM 0 HH TYR A 46 9.044 5.322 2.521 1.00 0.00 H new ATOM 717 N LYS A 47 4.995 0.375 3.823 1.00 0.00 N ATOM 718 CA LYS A 47 6.140 -0.234 4.489 1.00 0.00 C ATOM 719 C LYS A 47 6.166 -1.742 4.257 1.00 0.00 C ATOM 720 O LYS A 47 7.203 -2.385 4.419 1.00 0.00 O ATOM 721 CB LYS A 47 6.100 0.061 5.990 1.00 0.00 C ATOM 722 CG LYS A 47 6.035 1.543 6.317 1.00 0.00 C ATOM 723 CD LYS A 47 7.408 2.190 6.244 1.00 0.00 C ATOM 724 CE LYS A 47 8.148 2.077 7.568 1.00 0.00 C ATOM 725 NZ LYS A 47 9.358 2.945 7.603 1.00 0.00 N ATOM 0 H LYS A 47 4.297 0.763 4.457 1.00 0.00 H new ATOM 0 HA LYS A 47 7.047 0.197 4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.234 -0.437 6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.985 -0.368 6.460 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.360 2.041 5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.620 1.678 7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.994 1.715 5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.302 3.241 5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.479 2.354 8.383 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.440 1.040 7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.679 3.054 8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.115 2.509 7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.127 3.879 7.209 1.00 0.00 H new ATOM 739 N GLN A 48 5.020 -2.297 3.875 1.00 0.00 N ATOM 740 CA GLN A 48 4.914 -3.729 3.620 1.00 0.00 C ATOM 741 C GLN A 48 5.336 -4.061 2.193 1.00 0.00 C ATOM 742 O GLN A 48 5.763 -5.178 1.906 1.00 0.00 O ATOM 743 CB GLN A 48 3.481 -4.207 3.865 1.00 0.00 C ATOM 744 CG GLN A 48 3.359 -5.715 4.010 1.00 0.00 C ATOM 745 CD GLN A 48 3.609 -6.187 5.428 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.574 -5.398 6.373 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.863 -7.481 5.586 1.00 0.00 N ATOM 0 H GLN A 48 4.153 -1.778 3.735 1.00 0.00 H new ATOM 0 HA GLN A 48 5.585 -4.245 4.307 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.098 -3.731 4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.851 -3.878 3.039 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.362 -6.027 3.698 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.069 -6.199 3.339 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.882 -8.100 4.775 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.039 -7.856 6.518 1.00 0.00 H new ATOM 756 N ALA A 49 5.213 -3.082 1.302 1.00 0.00 N ATOM 757 CA ALA A 49 5.584 -3.270 -0.095 1.00 0.00 C ATOM 758 C ALA A 49 6.968 -2.696 -0.378 1.00 0.00 C ATOM 759 O ALA A 49 7.382 -2.584 -1.532 1.00 0.00 O ATOM 760 CB ALA A 49 4.548 -2.628 -1.006 1.00 0.00 C ATOM 0 H ALA A 49 4.859 -2.151 1.523 1.00 0.00 H new ATOM 0 HA ALA A 49 5.616 -4.341 -0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.837 -2.776 -2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.575 -3.087 -0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.489 -1.560 -0.794 1.00 0.00 H new ATOM 766 N THR A 50 7.681 -2.333 0.684 1.00 0.00 N ATOM 767 CA THR A 50 9.018 -1.769 0.550 1.00 0.00 C ATOM 768 C THR A 50 10.002 -2.457 1.488 1.00 0.00 C ATOM 769 O THR A 50 11.111 -2.811 1.089 1.00 0.00 O ATOM 770 CB THR A 50 9.022 -0.256 0.840 1.00 0.00 C ATOM 771 OG1 THR A 50 8.505 -0.008 2.153 1.00 0.00 O ATOM 772 CG2 THR A 50 8.190 0.495 -0.188 1.00 0.00 C ATOM 0 H THR A 50 7.354 -2.420 1.646 1.00 0.00 H new ATOM 0 HA THR A 50 9.328 -1.934 -0.482 1.00 0.00 H new ATOM 0 HB THR A 50 10.051 0.100 0.781 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.526 0.010 2.121 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.208 1.561 0.038 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.603 0.328 -1.183 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.162 0.135 -0.157 1.00 0.00 H new ATOM 780 N GLU A 51 9.589 -2.645 2.738 1.00 0.00 N ATOM 781 CA GLU A 51 10.436 -3.292 3.733 1.00 0.00 C ATOM 782 C GLU A 51 9.972 -4.722 3.995 1.00 0.00 C ATOM 783 O GLU A 51 10.781 -5.609 4.265 1.00 0.00 O ATOM 784 CB GLU A 51 10.427 -2.494 5.038 1.00 0.00 C ATOM 785 CG GLU A 51 10.621 -1.001 4.840 1.00 0.00 C ATOM 786 CD GLU A 51 10.735 -0.248 6.152 1.00 0.00 C ATOM 787 OE1 GLU A 51 11.457 -0.727 7.051 1.00 0.00 O ATOM 788 OE2 GLU A 51 10.101 0.821 6.278 1.00 0.00 O ATOM 0 H GLU A 51 8.674 -2.359 3.085 1.00 0.00 H new ATOM 0 HA GLU A 51 11.453 -3.324 3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.481 -2.664 5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.215 -2.871 5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.520 -0.831 4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.783 -0.602 4.268 1.00 0.00 H new ATOM 795 N GLY A 52 8.663 -4.938 3.913 1.00 0.00 N ATOM 796 CA GLY A 52 8.113 -6.261 4.144 1.00 0.00 C ATOM 797 C GLY A 52 7.335 -6.347 5.442 1.00 0.00 C ATOM 798 O GLY A 52 6.612 -5.425 5.820 1.00 0.00 O ATOM 0 H GLY A 52 7.973 -4.220 3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.460 -6.529 3.314 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.923 -6.990 4.161 1.00 0.00 H new ATOM 802 N PRO A 53 7.479 -7.478 6.149 1.00 0.00 N ATOM 803 CA PRO A 53 6.790 -7.709 7.423 1.00 0.00 C ATOM 804 C PRO A 53 7.331 -6.825 8.542 1.00 0.00 C ATOM 805 O PRO A 53 8.539 -6.610 8.647 1.00 0.00 O ATOM 806 CB PRO A 53 7.077 -9.183 7.719 1.00 0.00 C ATOM 807 CG PRO A 53 8.346 -9.475 6.995 1.00 0.00 C ATOM 808 CD PRO A 53 8.324 -8.619 5.759 1.00 0.00 C ATOM 0 HA PRO A 53 5.728 -7.472 7.362 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.183 -9.358 8.790 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.266 -9.822 7.370 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.212 -9.242 7.615 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.414 -10.532 6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.326 -8.298 5.475 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.907 -9.155 4.906 1.00 0.00 H new ATOM 816 N CYS A 54 6.431 -6.317 9.375 1.00 0.00 N ATOM 817 CA CYS A 54 6.818 -5.456 10.487 1.00 0.00 C ATOM 818 C CYS A 54 8.071 -5.987 11.175 1.00 0.00 C ATOM 819 O CYS A 54 8.016 -6.968 11.916 1.00 0.00 O ATOM 820 CB CYS A 54 5.674 -5.346 11.497 1.00 0.00 C ATOM 821 SG CYS A 54 6.204 -4.897 13.166 1.00 0.00 S ATOM 0 H CYS A 54 5.428 -6.486 9.302 1.00 0.00 H new ATOM 0 HA CYS A 54 7.037 -4.465 10.088 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.960 -4.603 11.142 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.147 -6.299 11.539 1.00 0.00 H new ATOM 0 HG CYS A 54 5.897 -3.655 13.399 1.00 0.00 H new ATOM 827 N ASN A 55 9.201 -5.334 10.923 1.00 0.00 N ATOM 828 CA ASN A 55 10.469 -5.742 11.516 1.00 0.00 C ATOM 829 C ASN A 55 11.035 -4.637 12.403 1.00 0.00 C ATOM 830 O ASN A 55 12.228 -4.620 12.704 1.00 0.00 O ATOM 831 CB ASN A 55 11.476 -6.100 10.422 1.00 0.00 C ATOM 832 CG ASN A 55 11.234 -5.329 9.139 1.00 0.00 C ATOM 833 OD1 ASN A 55 10.769 -5.886 8.145 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.550 -4.039 9.155 1.00 0.00 N ATOM 0 H ASN A 55 9.264 -4.520 10.312 1.00 0.00 H new ATOM 0 HA ASN A 55 10.287 -6.621 12.134 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.485 -5.896 10.780 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.420 -7.169 10.216 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.410 -3.469 8.321 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.933 -3.618 10.002 1.00 0.00 H new ATOM 841 N MET A 56 10.170 -3.718 12.819 1.00 0.00 N ATOM 842 CA MET A 56 10.584 -2.611 13.673 1.00 0.00 C ATOM 843 C MET A 56 10.288 -2.914 15.138 1.00 0.00 C ATOM 844 O MET A 56 9.378 -3.675 15.468 1.00 0.00 O ATOM 845 CB MET A 56 9.873 -1.322 13.253 1.00 0.00 C ATOM 846 CG MET A 56 8.379 -1.495 13.036 1.00 0.00 C ATOM 847 SD MET A 56 7.530 0.072 12.763 1.00 0.00 S ATOM 848 CE MET A 56 8.268 1.083 14.045 1.00 0.00 C ATOM 0 H MET A 56 9.179 -3.718 12.579 1.00 0.00 H new ATOM 0 HA MET A 56 11.660 -2.479 13.558 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.035 -0.562 14.017 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.325 -0.951 12.333 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.214 -2.147 12.179 1.00 0.00 H new ATOM 0 HG3 MET A 56 7.945 -1.992 13.903 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.593 1.901 14.297 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.447 0.474 14.931 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.214 1.491 13.688 1.00 0.00 H new ATOM 858 N PRO A 57 11.074 -2.307 16.039 1.00 0.00 N ATOM 859 CA PRO A 57 10.915 -2.498 17.484 1.00 0.00 C ATOM 860 C PRO A 57 9.640 -1.853 18.017 1.00 0.00 C ATOM 861 O PRO A 57 9.263 -0.759 17.597 1.00 0.00 O ATOM 862 CB PRO A 57 12.149 -1.808 18.071 1.00 0.00 C ATOM 863 CG PRO A 57 12.536 -0.792 17.051 1.00 0.00 C ATOM 864 CD PRO A 57 12.179 -1.388 15.718 1.00 0.00 C ATOM 0 HA PRO A 57 10.833 -3.552 17.749 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.923 -1.341 19.029 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.955 -2.520 18.246 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.006 0.146 17.214 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.602 -0.569 17.106 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.871 -0.623 15.005 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.024 -1.915 15.274 1.00 0.00 H new ATOM 872 N LYS A 58 8.980 -2.538 18.945 1.00 0.00 N ATOM 873 CA LYS A 58 7.747 -2.032 19.537 1.00 0.00 C ATOM 874 C LYS A 58 8.022 -0.802 20.396 1.00 0.00 C ATOM 875 O LYS A 58 8.745 -0.859 21.391 1.00 0.00 O ATOM 876 CB LYS A 58 7.080 -3.120 20.383 1.00 0.00 C ATOM 877 CG LYS A 58 5.668 -2.769 20.820 1.00 0.00 C ATOM 878 CD LYS A 58 4.836 -4.016 21.070 1.00 0.00 C ATOM 879 CE LYS A 58 3.518 -3.679 21.749 1.00 0.00 C ATOM 880 NZ LYS A 58 3.704 -3.350 23.189 1.00 0.00 N ATOM 0 H LYS A 58 9.278 -3.445 19.303 1.00 0.00 H new ATOM 0 HA LYS A 58 7.075 -1.746 18.728 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.055 -4.048 19.812 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.690 -3.306 21.267 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.706 -2.168 21.728 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.190 -2.159 20.054 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.641 -4.520 20.124 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.399 -4.712 21.692 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.053 -2.834 21.241 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.835 -4.523 21.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.112 -2.532 23.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.427 -4.167 23.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.703 -3.121 23.367 1.00 0.00 H new ATOM 894 N PRO A 59 7.430 0.337 20.007 1.00 0.00 N ATOM 895 CA PRO A 59 7.594 1.602 20.729 1.00 0.00 C ATOM 896 C PRO A 59 6.898 1.589 22.086 1.00 0.00 C ATOM 897 O PRO A 59 6.310 0.584 22.483 1.00 0.00 O ATOM 898 CB PRO A 59 6.939 2.628 19.801 1.00 0.00 C ATOM 899 CG PRO A 59 5.952 1.844 19.007 1.00 0.00 C ATOM 900 CD PRO A 59 6.554 0.477 18.831 1.00 0.00 C ATOM 0 HA PRO A 59 8.640 1.813 20.949 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.451 3.420 20.368 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.676 3.106 19.156 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.994 1.785 19.524 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.765 2.315 18.042 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.789 -0.299 18.805 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.116 0.402 17.900 1.00 0.00 H new ATOM 908 N GLY A 60 6.969 2.713 22.793 1.00 0.00 N ATOM 909 CA GLY A 60 6.341 2.809 24.098 1.00 0.00 C ATOM 910 C GLY A 60 4.927 3.349 24.022 1.00 0.00 C ATOM 911 O GLY A 60 4.567 4.035 23.065 1.00 0.00 O ATOM 0 H GLY A 60 7.450 3.558 22.485 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.326 1.824 24.564 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.940 3.456 24.739 1.00 0.00 H new ATOM 915 N VAL A 61 4.121 3.037 25.032 1.00 0.00 N ATOM 916 CA VAL A 61 2.737 3.494 25.076 1.00 0.00 C ATOM 917 C VAL A 61 2.660 5.016 25.034 1.00 0.00 C ATOM 918 O VAL A 61 1.848 5.588 24.307 1.00 0.00 O ATOM 919 CB VAL A 61 2.019 2.989 26.341 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.652 1.520 26.197 1.00 0.00 C ATOM 921 CG2 VAL A 61 2.887 3.212 27.571 1.00 0.00 C ATOM 0 H VAL A 61 4.403 2.469 25.831 1.00 0.00 H new ATOM 0 HA VAL A 61 2.240 3.083 24.197 1.00 0.00 H new ATOM 0 HB VAL A 61 1.098 3.558 26.466 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.146 1.181 27.101 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.990 1.393 25.341 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.557 0.932 26.046 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.364 2.849 28.456 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.826 2.670 27.457 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.094 4.276 27.682 1.00 0.00 H new ATOM 931 N PHE A 62 3.512 5.668 25.819 1.00 0.00 N ATOM 932 CA PHE A 62 3.540 7.125 25.872 1.00 0.00 C ATOM 933 C PHE A 62 3.560 7.721 24.468 1.00 0.00 C ATOM 934 O PHE A 62 3.058 8.822 24.242 1.00 0.00 O ATOM 935 CB PHE A 62 4.763 7.604 26.658 1.00 0.00 C ATOM 936 CG PHE A 62 4.555 7.609 28.146 1.00 0.00 C ATOM 937 CD1 PHE A 62 4.274 6.434 28.823 1.00 0.00 C ATOM 938 CD2 PHE A 62 4.640 8.789 28.866 1.00 0.00 C ATOM 939 CE1 PHE A 62 4.082 6.435 30.192 1.00 0.00 C ATOM 940 CE2 PHE A 62 4.449 8.797 30.235 1.00 0.00 C ATOM 941 CZ PHE A 62 4.169 7.618 30.899 1.00 0.00 C ATOM 0 H PHE A 62 4.192 5.211 26.427 1.00 0.00 H new ATOM 0 HA PHE A 62 2.635 7.462 26.378 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.612 6.963 26.420 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.023 8.611 26.332 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.204 5.506 28.275 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.858 9.713 28.352 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.864 5.512 30.708 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.519 9.724 30.785 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.019 7.622 31.968 1.00 0.00 H new ATOM 951 N ASP A 63 4.142 6.985 23.527 1.00 0.00 N ATOM 952 CA ASP A 63 4.227 7.438 22.144 1.00 0.00 C ATOM 953 C ASP A 63 3.088 6.858 21.311 1.00 0.00 C ATOM 954 O ASP A 63 3.226 5.793 20.709 1.00 0.00 O ATOM 955 CB ASP A 63 5.573 7.042 21.537 1.00 0.00 C ATOM 956 CG ASP A 63 6.691 7.983 21.942 1.00 0.00 C ATOM 957 OD1 ASP A 63 6.495 9.212 21.847 1.00 0.00 O ATOM 958 OD2 ASP A 63 7.762 7.489 22.354 1.00 0.00 O ATOM 0 H ASP A 63 4.562 6.071 23.698 1.00 0.00 H new ATOM 0 HA ASP A 63 4.141 8.525 22.138 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.825 6.028 21.849 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.488 7.029 20.450 1.00 0.00 H new ATOM 963 N LEU A 64 1.964 7.565 21.282 1.00 0.00 N ATOM 964 CA LEU A 64 0.800 7.120 20.523 1.00 0.00 C ATOM 965 C LEU A 64 1.008 7.340 19.028 1.00 0.00 C ATOM 966 O LEU A 64 0.255 6.821 18.204 1.00 0.00 O ATOM 967 CB LEU A 64 -0.452 7.864 20.990 1.00 0.00 C ATOM 968 CG LEU A 64 -0.615 8.021 22.503 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.810 8.905 22.822 1.00 0.00 C ATOM 970 CD2 LEU A 64 -0.764 6.660 23.167 1.00 0.00 C ATOM 0 H LEU A 64 1.834 8.448 21.775 1.00 0.00 H new ATOM 0 HA LEU A 64 0.668 6.052 20.699 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.449 8.857 20.540 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.327 7.341 20.603 1.00 0.00 H new ATOM 0 HG LEU A 64 0.281 8.500 22.898 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.910 9.005 23.903 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.663 9.890 22.378 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.715 8.455 22.414 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.879 6.791 24.243 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.643 6.154 22.767 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.123 6.059 22.967 1.00 0.00 H new ATOM 982 N ILE A 65 2.035 8.110 18.686 1.00 0.00 N ATOM 983 CA ILE A 65 2.344 8.395 17.290 1.00 0.00 C ATOM 984 C ILE A 65 2.887 7.158 16.584 1.00 0.00 C ATOM 985 O ILE A 65 2.203 6.549 15.763 1.00 0.00 O ATOM 986 CB ILE A 65 3.369 9.538 17.162 1.00 0.00 C ATOM 987 CG1 ILE A 65 2.831 10.810 17.820 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.700 9.790 15.699 1.00 0.00 C ATOM 989 CD1 ILE A 65 3.094 10.879 19.308 1.00 0.00 C ATOM 0 H ILE A 65 2.667 8.548 19.356 1.00 0.00 H new ATOM 0 HA ILE A 65 1.411 8.700 16.816 1.00 0.00 H new ATOM 0 HB ILE A 65 4.285 9.246 17.676 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.283 11.677 17.339 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.757 10.873 17.646 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.425 10.600 15.624 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.120 8.885 15.260 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.792 10.066 15.163 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.685 11.807 19.707 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.618 10.031 19.801 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.168 10.848 19.489 1.00 0.00 H new ATOM 1001 N ASN A 66 4.123 6.792 16.910 1.00 0.00 N ATOM 1002 CA ASN A 66 4.759 5.626 16.308 1.00 0.00 C ATOM 1003 C ASN A 66 3.940 4.365 16.567 1.00 0.00 C ATOM 1004 O ASN A 66 3.731 3.550 15.668 1.00 0.00 O ATOM 1005 CB ASN A 66 6.175 5.450 16.858 1.00 0.00 C ATOM 1006 CG ASN A 66 6.320 5.995 18.266 1.00 0.00 C ATOM 1007 OD1 ASN A 66 6.044 5.300 19.244 1.00 0.00 O ATOM 1008 ND2 ASN A 66 6.754 7.245 18.374 1.00 0.00 N ATOM 0 H ASN A 66 4.704 7.286 17.588 1.00 0.00 H new ATOM 0 HA ASN A 66 4.813 5.788 15.231 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.435 4.392 16.852 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.883 5.956 16.201 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.871 7.666 19.295 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.971 7.784 17.536 1.00 0.00 H new ATOM 1015 N LYS A 67 3.478 4.210 17.803 1.00 0.00 N ATOM 1016 CA LYS A 67 2.680 3.050 18.183 1.00 0.00 C ATOM 1017 C LYS A 67 1.485 2.883 17.250 1.00 0.00 C ATOM 1018 O LYS A 67 1.084 1.763 16.934 1.00 0.00 O ATOM 1019 CB LYS A 67 2.197 3.189 19.628 1.00 0.00 C ATOM 1020 CG LYS A 67 1.812 1.867 20.270 1.00 0.00 C ATOM 1021 CD LYS A 67 3.038 1.072 20.688 1.00 0.00 C ATOM 1022 CE LYS A 67 2.689 0.013 21.722 1.00 0.00 C ATOM 1023 NZ LYS A 67 3.804 -0.212 22.684 1.00 0.00 N ATOM 0 H LYS A 67 3.643 4.874 18.560 1.00 0.00 H new ATOM 0 HA LYS A 67 3.310 2.164 18.101 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.983 3.656 20.222 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.338 3.859 19.652 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.184 2.054 21.141 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.218 1.280 19.569 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.480 0.596 19.813 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.789 1.748 21.097 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.795 0.318 22.267 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.451 -0.923 21.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.257 -1.126 22.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.504 0.551 22.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.430 -0.218 23.654 1.00 0.00 H new ATOM 1037 N ALA A 68 0.921 4.003 16.812 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.226 3.980 15.912 1.00 0.00 C ATOM 1039 C ALA A 68 0.124 3.298 14.594 1.00 0.00 C ATOM 1040 O ALA A 68 -0.677 2.544 14.041 1.00 0.00 O ATOM 1041 CB ALA A 68 -0.728 5.394 15.660 1.00 0.00 C ATOM 0 H ALA A 68 1.239 4.938 17.066 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.019 3.405 16.389 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.584 5.361 14.986 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.027 5.848 16.605 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.067 5.987 15.208 1.00 0.00 H new ATOM 1047 N LYS A 69 1.325 3.567 14.094 1.00 0.00 N ATOM 1048 CA LYS A 69 1.783 2.979 12.841 1.00 0.00 C ATOM 1049 C LYS A 69 2.185 1.521 13.039 1.00 0.00 C ATOM 1050 O LYS A 69 1.879 0.665 12.209 1.00 0.00 O ATOM 1051 CB LYS A 69 2.965 3.774 12.282 1.00 0.00 C ATOM 1052 CG LYS A 69 2.552 4.929 11.386 1.00 0.00 C ATOM 1053 CD LYS A 69 2.311 6.198 12.187 1.00 0.00 C ATOM 1054 CE LYS A 69 1.797 7.325 11.304 1.00 0.00 C ATOM 1055 NZ LYS A 69 0.965 8.294 12.069 1.00 0.00 N ATOM 0 H LYS A 69 2.000 4.190 14.538 1.00 0.00 H new ATOM 0 HA LYS A 69 0.959 3.017 12.129 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.556 4.162 13.112 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.611 3.101 11.718 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.328 5.109 10.642 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.645 4.663 10.843 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.590 5.998 12.980 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.238 6.507 12.670 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.641 7.847 10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.209 6.907 10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.634 9.046 11.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.145 7.801 12.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.533 8.712 12.833 1.00 0.00 H new ATOM 1069 N TRP A 70 2.871 1.247 14.142 1.00 0.00 N ATOM 1070 CA TRP A 70 3.313 -0.109 14.449 1.00 0.00 C ATOM 1071 C TRP A 70 2.150 -1.091 14.376 1.00 0.00 C ATOM 1072 O TRP A 70 2.298 -2.207 13.876 1.00 0.00 O ATOM 1073 CB TRP A 70 3.950 -0.157 15.839 1.00 0.00 C ATOM 1074 CG TRP A 70 4.847 -1.341 16.041 1.00 0.00 C ATOM 1075 CD1 TRP A 70 6.145 -1.465 15.635 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.511 -2.569 16.696 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.636 -2.696 15.999 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.653 -3.391 16.652 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.356 -3.052 17.318 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.672 -4.669 17.205 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.377 -4.321 17.866 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.528 -5.117 17.807 1.00 0.00 C ATOM 0 H TRP A 70 3.133 1.944 14.838 1.00 0.00 H new ATOM 0 HA TRP A 70 4.056 -0.399 13.706 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.524 0.756 16.000 1.00 0.00 H new ATOM 0 HB3 TRP A 70 3.162 -0.175 16.592 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.704 -0.707 15.106 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.579 -3.037 15.813 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.464 -2.445 17.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.558 -5.285 17.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.490 -4.705 18.348 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.512 -6.104 18.245 1.00 0.00 H new ATOM 1093 N ASP A 71 0.993 -0.670 14.876 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.197 -1.513 14.865 1.00 0.00 C ATOM 1095 C ASP A 71 -0.757 -1.645 13.453 1.00 0.00 C ATOM 1096 O ASP A 71 -1.395 -2.642 13.118 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.263 -0.939 15.799 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.051 -1.351 17.243 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -0.953 -2.569 17.505 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -0.982 -0.456 18.111 1.00 0.00 O ATOM 0 H ASP A 71 0.854 0.250 15.294 1.00 0.00 H new ATOM 0 HA ASP A 71 0.087 -2.505 15.217 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.255 0.149 15.730 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.247 -1.272 15.470 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.515 -0.630 12.629 1.00 0.00 N ATOM 1106 CA ALA A 72 -0.995 -0.633 11.253 1.00 0.00 C ATOM 1107 C ALA A 72 -0.135 -1.534 10.373 1.00 0.00 C ATOM 1108 O ALA A 72 -0.648 -2.415 9.683 1.00 0.00 O ATOM 1109 CB ALA A 72 -1.015 0.784 10.698 1.00 0.00 C ATOM 0 H ALA A 72 0.010 0.204 12.891 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.011 -1.028 11.250 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.376 0.767 9.670 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.677 1.403 11.304 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.007 1.199 10.722 1.00 0.00 H new ATOM 1115 N TRP A 73 1.173 -1.308 10.403 1.00 0.00 N ATOM 1116 CA TRP A 73 2.104 -2.100 9.607 1.00 0.00 C ATOM 1117 C TRP A 73 2.189 -3.529 10.131 1.00 0.00 C ATOM 1118 O TRP A 73 2.406 -4.469 9.367 1.00 0.00 O ATOM 1119 CB TRP A 73 3.491 -1.457 9.617 1.00 0.00 C ATOM 1120 CG TRP A 73 4.488 -2.181 8.763 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.222 -3.137 7.824 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.909 -2.008 8.771 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.392 -3.569 7.249 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.441 -2.892 7.812 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.783 -1.193 9.494 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.808 -2.981 7.559 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.139 -1.283 9.243 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.641 -2.171 8.282 1.00 0.00 C ATOM 0 H TRP A 73 1.613 -0.583 10.970 1.00 0.00 H new ATOM 0 HA TRP A 73 1.733 -2.130 8.583 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.408 -0.426 9.272 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.860 -1.421 10.642 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.237 -3.500 7.571 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.467 -4.279 6.521 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.406 -0.505 10.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.196 -3.665 6.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.824 -0.658 9.797 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.706 -2.217 8.109 1.00 0.00 H new ATOM 1139 N ASN A 74 2.016 -3.686 11.440 1.00 0.00 N ATOM 1140 CA ASN A 74 2.073 -5.002 12.066 1.00 0.00 C ATOM 1141 C ASN A 74 0.853 -5.837 11.690 1.00 0.00 C ATOM 1142 O ASN A 74 0.972 -7.019 11.370 1.00 0.00 O ATOM 1143 CB ASN A 74 2.161 -4.862 13.587 1.00 0.00 C ATOM 1144 CG ASN A 74 2.109 -6.203 14.295 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.624 -7.202 13.793 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.486 -6.229 15.467 1.00 0.00 N ATOM 0 H ASN A 74 1.835 -2.919 12.087 1.00 0.00 H new ATOM 0 HA ASN A 74 2.965 -5.512 11.702 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.088 -4.351 13.849 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.341 -4.236 13.940 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.420 -7.102 15.990 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.074 -5.376 15.844 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.320 -5.213 11.732 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.561 -5.898 11.393 1.00 0.00 C ATOM 1155 C ALA A 75 -1.405 -6.720 10.118 1.00 0.00 C ATOM 1156 O ALA A 75 -2.153 -7.670 9.885 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.693 -4.893 11.240 1.00 0.00 C ATOM 0 H ALA A 75 -0.436 -4.235 11.997 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.803 -6.582 12.207 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.614 -5.418 10.987 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.829 -4.353 12.177 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.448 -4.187 10.446 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.430 -6.349 9.296 1.00 0.00 N ATOM 1164 CA LEU A 76 -0.176 -7.052 8.044 1.00 0.00 C ATOM 1165 C LEU A 76 0.457 -8.415 8.303 1.00 0.00 C ATOM 1166 O LEU A 76 0.027 -9.426 7.749 1.00 0.00 O ATOM 1167 CB LEU A 76 0.736 -6.217 7.143 1.00 0.00 C ATOM 1168 CG LEU A 76 0.048 -5.135 6.310 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.709 -5.757 5.147 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.890 -4.309 7.178 1.00 0.00 C ATOM 0 H LEU A 76 0.198 -5.565 9.474 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.131 -7.205 7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.493 -5.741 7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.260 -6.891 6.465 1.00 0.00 H new ATOM 0 HG LEU A 76 0.814 -4.473 5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.192 -4.972 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.013 -6.304 4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.465 -6.442 5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.371 -3.544 6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.651 -4.958 7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.322 -3.832 7.977 1.00 0.00 H new ATOM 1182 N GLY A 77 1.481 -8.435 9.152 1.00 0.00 N ATOM 1183 CA GLY A 77 2.155 -9.680 9.472 1.00 0.00 C ATOM 1184 C GLY A 77 3.137 -10.100 8.396 1.00 0.00 C ATOM 1185 O GLY A 77 3.879 -9.274 7.866 1.00 0.00 O ATOM 0 H GLY A 77 1.855 -7.612 9.623 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.683 -9.571 10.419 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.413 -10.467 9.610 1.00 0.00 H new ATOM 1189 N SER A 78 3.143 -11.390 8.074 1.00 0.00 N ATOM 1190 CA SER A 78 4.045 -11.920 7.059 1.00 0.00 C ATOM 1191 C SER A 78 3.475 -11.705 5.660 1.00 0.00 C ATOM 1192 O SER A 78 3.582 -12.573 4.793 1.00 0.00 O ATOM 1193 CB SER A 78 4.295 -13.410 7.296 1.00 0.00 C ATOM 1194 OG SER A 78 5.315 -13.609 8.260 1.00 0.00 O ATOM 0 H SER A 78 2.533 -12.087 8.502 1.00 0.00 H new ATOM 0 HA SER A 78 4.991 -11.384 7.134 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.375 -13.887 7.632 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.578 -13.888 6.358 1.00 0.00 H new ATOM 0 HG SER A 78 5.455 -14.570 8.395 1.00 0.00 H new ATOM 1200 N LEU A 79 2.868 -10.543 5.448 1.00 0.00 N ATOM 1201 CA LEU A 79 2.280 -10.212 4.154 1.00 0.00 C ATOM 1202 C LEU A 79 3.363 -9.909 3.125 1.00 0.00 C ATOM 1203 O LEU A 79 4.200 -9.025 3.310 1.00 0.00 O ATOM 1204 CB LEU A 79 1.340 -9.012 4.291 1.00 0.00 C ATOM 1205 CG LEU A 79 0.319 -8.828 3.168 1.00 0.00 C ATOM 1206 CD1 LEU A 79 1.020 -8.516 1.855 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.550 -10.069 3.028 1.00 0.00 C ATOM 0 H LEU A 79 2.770 -9.814 6.155 1.00 0.00 H new ATOM 0 HA LEU A 79 1.710 -11.075 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.801 -9.104 5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.945 -8.108 4.357 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.324 -7.985 3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.277 -8.388 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.598 -7.598 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.687 -9.338 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.271 -9.920 2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.078 -10.929 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.081 -10.249 3.963 1.00 0.00 H new ATOM 1219 N PRO A 80 3.349 -10.657 2.012 1.00 0.00 N ATOM 1220 CA PRO A 80 4.322 -10.485 0.929 1.00 0.00 C ATOM 1221 C PRO A 80 4.120 -9.178 0.170 1.00 0.00 C ATOM 1222 O PRO A 80 2.992 -8.720 -0.010 1.00 0.00 O ATOM 1223 CB PRO A 80 4.050 -11.682 0.014 1.00 0.00 C ATOM 1224 CG PRO A 80 2.628 -12.042 0.274 1.00 0.00 C ATOM 1225 CD PRO A 80 2.380 -11.728 1.724 1.00 0.00 C ATOM 0 HA PRO A 80 5.345 -10.441 1.304 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.208 -11.424 -1.033 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.717 -12.514 0.241 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.957 -11.472 -0.369 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.448 -13.097 0.067 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.355 -11.399 1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.544 -12.600 2.358 1.00 0.00 H new ATOM 1233 N LYS A 81 5.221 -8.581 -0.273 1.00 0.00 N ATOM 1234 CA LYS A 81 5.166 -7.326 -1.014 1.00 0.00 C ATOM 1235 C LYS A 81 4.204 -7.433 -2.193 1.00 0.00 C ATOM 1236 O LYS A 81 3.392 -6.537 -2.425 1.00 0.00 O ATOM 1237 CB LYS A 81 6.561 -6.944 -1.514 1.00 0.00 C ATOM 1238 CG LYS A 81 7.470 -6.400 -0.425 1.00 0.00 C ATOM 1239 CD LYS A 81 8.931 -6.694 -0.719 1.00 0.00 C ATOM 1240 CE LYS A 81 9.813 -6.394 0.482 1.00 0.00 C ATOM 1241 NZ LYS A 81 11.237 -6.201 0.091 1.00 0.00 N ATOM 0 H LYS A 81 6.163 -8.946 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 81 4.803 -6.550 -0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.029 -7.820 -1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.464 -6.196 -2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.326 -5.323 -0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.195 -6.841 0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.043 -7.741 -1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.259 -6.098 -1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.450 -5.497 0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.741 -7.212 1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.805 -5.999 0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.592 -7.065 -0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.310 -5.404 -0.573 1.00 0.00 H new ATOM 1255 N GLU A 82 4.300 -8.533 -2.932 1.00 0.00 N ATOM 1256 CA GLU A 82 3.436 -8.755 -4.086 1.00 0.00 C ATOM 1257 C GLU A 82 1.992 -8.382 -3.765 1.00 0.00 C ATOM 1258 O GLU A 82 1.360 -7.619 -4.494 1.00 0.00 O ATOM 1259 CB GLU A 82 3.510 -10.217 -4.532 1.00 0.00 C ATOM 1260 CG GLU A 82 4.826 -10.585 -5.197 1.00 0.00 C ATOM 1261 CD GLU A 82 4.880 -12.041 -5.617 1.00 0.00 C ATOM 1262 OE1 GLU A 82 4.794 -12.918 -4.732 1.00 0.00 O ATOM 1263 OE2 GLU A 82 5.008 -12.303 -6.831 1.00 0.00 O ATOM 0 H GLU A 82 4.967 -9.284 -2.753 1.00 0.00 H new ATOM 0 HA GLU A 82 3.785 -8.117 -4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.358 -10.860 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.693 -10.418 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.976 -9.953 -6.072 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.646 -10.378 -4.510 1.00 0.00 H new ATOM 1270 N ALA A 83 1.476 -8.928 -2.668 1.00 0.00 N ATOM 1271 CA ALA A 83 0.108 -8.652 -2.249 1.00 0.00 C ATOM 1272 C ALA A 83 0.003 -7.283 -1.584 1.00 0.00 C ATOM 1273 O ALA A 83 -0.980 -6.567 -1.770 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.384 -9.738 -1.304 1.00 0.00 C ATOM 0 H ALA A 83 1.985 -9.564 -2.054 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.523 -8.645 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.407 -9.519 -0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.355 -10.702 -1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.258 -9.772 -0.423 1.00 0.00 H new ATOM 1280 N ALA A 84 1.022 -6.927 -0.809 1.00 0.00 N ATOM 1281 CA ALA A 84 1.044 -5.644 -0.118 1.00 0.00 C ATOM 1282 C ALA A 84 0.788 -4.494 -1.087 1.00 0.00 C ATOM 1283 O ALA A 84 -0.010 -3.600 -0.807 1.00 0.00 O ATOM 1284 CB ALA A 84 2.374 -5.451 0.594 1.00 0.00 C ATOM 0 H ALA A 84 1.843 -7.509 -0.644 1.00 0.00 H new ATOM 0 HA ALA A 84 0.245 -5.645 0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.376 -4.489 1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.516 -6.250 1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.184 -5.476 -0.135 1.00 0.00 H new ATOM 1290 N ARG A 85 1.472 -4.524 -2.226 1.00 0.00 N ATOM 1291 CA ARG A 85 1.321 -3.483 -3.235 1.00 0.00 C ATOM 1292 C ARG A 85 -0.099 -3.470 -3.794 1.00 0.00 C ATOM 1293 O ARG A 85 -0.681 -2.407 -4.011 1.00 0.00 O ATOM 1294 CB ARG A 85 2.324 -3.693 -4.370 1.00 0.00 C ATOM 1295 CG ARG A 85 3.755 -3.348 -3.990 1.00 0.00 C ATOM 1296 CD ARG A 85 4.562 -2.905 -5.200 1.00 0.00 C ATOM 1297 NE ARG A 85 5.977 -3.240 -5.067 1.00 0.00 N ATOM 1298 CZ ARG A 85 6.948 -2.593 -5.702 1.00 0.00 C ATOM 1299 NH1 ARG A 85 6.659 -1.582 -6.509 1.00 0.00 N ATOM 1300 NH2 ARG A 85 8.213 -2.957 -5.530 1.00 0.00 N ATOM 0 H ARG A 85 2.136 -5.258 -2.473 1.00 0.00 H new ATOM 0 HA ARG A 85 1.516 -2.521 -2.760 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.283 -4.734 -4.692 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.027 -3.084 -5.224 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.753 -2.555 -3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.230 -4.216 -3.532 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.160 -3.378 -6.096 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.455 -1.828 -5.332 1.00 0.00 H new ATOM 0 HE ARG A 85 6.234 -4.013 -4.453 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.689 -1.299 -6.644 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.407 -1.087 -6.995 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.440 -3.734 -4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.958 -2.459 -6.018 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.650 -4.657 -4.024 1.00 0.00 N ATOM 1315 CA GLN A 86 -2.001 -4.781 -4.558 1.00 0.00 C ATOM 1316 C GLN A 86 -3.030 -4.249 -3.566 1.00 0.00 C ATOM 1317 O GLN A 86 -4.065 -3.712 -3.958 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.307 -6.242 -4.894 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.768 -6.496 -5.231 1.00 0.00 C ATOM 1320 CD GLN A 86 -4.092 -6.203 -6.682 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -3.841 -7.025 -7.564 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -4.653 -5.027 -6.939 1.00 0.00 N ATOM 0 H GLN A 86 -0.182 -5.546 -3.849 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.060 -4.186 -5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.689 -6.549 -5.738 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.024 -6.868 -4.048 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.012 -7.535 -5.011 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.397 -5.878 -4.590 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.844 -4.376 -6.178 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.893 -4.775 -7.898 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.738 -4.404 -2.278 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.639 -3.939 -1.229 1.00 0.00 C ATOM 1333 C ASN A 87 -3.688 -2.415 -1.190 1.00 0.00 C ATOM 1334 O ASN A 87 -4.762 -1.820 -1.107 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.194 -4.482 0.130 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.493 -5.960 0.288 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -4.637 -6.353 0.515 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -2.461 -6.788 0.169 1.00 0.00 N ATOM 0 H ASN A 87 -1.885 -4.848 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.639 -4.310 -1.452 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.124 -4.316 0.252 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.695 -3.926 0.922 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.600 -7.794 0.266 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.529 -6.418 -0.020 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.517 -1.789 -1.250 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.426 -0.334 -1.219 1.00 0.00 C ATOM 1347 C TYR A 88 -3.236 0.286 -2.353 1.00 0.00 C ATOM 1348 O TYR A 88 -3.970 1.254 -2.151 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.965 0.108 -1.319 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.774 1.602 -1.182 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -1.238 2.474 -2.159 1.00 0.00 C ATOM 1352 CD2 TYR A 88 -0.131 2.140 -0.074 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -1.065 3.839 -2.038 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.045 3.505 0.056 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.423 4.350 -0.929 1.00 0.00 C ATOM 1356 OH TYR A 88 -0.250 5.709 -0.804 1.00 0.00 O ATOM 0 H TYR A 88 -1.618 -2.266 -1.320 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.839 0.011 -0.271 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.388 -0.396 -0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.561 -0.215 -2.278 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.743 2.078 -3.028 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.237 1.481 0.698 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.430 4.503 -2.808 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.546 3.908 0.924 1.00 0.00 H new ATOM 0 HH TYR A 88 0.219 5.903 0.034 1.00 0.00 H new ATOM 1366 N VAL A 89 -3.097 -0.278 -3.549 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.816 0.217 -4.716 1.00 0.00 C ATOM 1368 C VAL A 89 -5.310 -0.065 -4.602 1.00 0.00 C ATOM 1369 O VAL A 89 -6.140 0.783 -4.933 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.283 -0.417 -6.015 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.852 0.025 -6.277 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.377 -1.934 -5.944 1.00 0.00 C ATOM 0 H VAL A 89 -2.493 -1.078 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.654 1.294 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.901 -0.076 -6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.493 -0.433 -7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.818 1.110 -6.374 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.218 -0.285 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.996 -2.366 -6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.784 -2.296 -5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.418 -2.228 -5.807 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.647 -1.261 -4.131 1.00 0.00 N ATOM 1383 CA ASP A 90 -7.042 -1.655 -3.972 1.00 0.00 C ATOM 1384 C ASP A 90 -7.790 -0.659 -3.091 1.00 0.00 C ATOM 1385 O ASP A 90 -8.956 -0.349 -3.339 1.00 0.00 O ATOM 1386 CB ASP A 90 -7.132 -3.057 -3.367 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.527 -3.387 -2.876 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -8.866 -2.988 -1.742 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -9.280 -4.046 -3.624 1.00 0.00 O ATOM 0 H ASP A 90 -4.973 -1.974 -3.853 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.507 -1.662 -4.958 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.829 -3.792 -4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.430 -3.137 -2.537 1.00 0.00 H new ATOM 1394 N LEU A 91 -7.113 -0.162 -2.061 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.714 0.798 -1.142 1.00 0.00 C ATOM 1396 C LEU A 91 -7.886 2.158 -1.811 1.00 0.00 C ATOM 1397 O LEU A 91 -8.997 2.680 -1.904 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.852 0.940 0.113 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.356 1.929 1.165 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.271 3.354 0.641 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.783 1.594 1.573 1.00 0.00 C ATOM 0 H LEU A 91 -6.148 -0.408 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.699 0.426 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.761 -0.041 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.850 1.243 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.719 1.848 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.634 4.044 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.235 3.592 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.883 3.449 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.124 2.308 2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.433 1.646 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.815 0.588 1.990 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.779 2.726 -2.278 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.807 4.024 -2.942 1.00 0.00 C ATOM 1415 C VAL A 92 -7.882 4.066 -4.022 1.00 0.00 C ATOM 1416 O VAL A 92 -8.424 5.127 -4.332 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.444 4.359 -3.577 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.495 5.715 -4.265 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.345 4.326 -2.526 1.00 0.00 C ATOM 0 H VAL A 92 -5.851 2.308 -2.209 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.036 4.766 -2.177 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.218 3.604 -4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.524 5.935 -4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.255 5.698 -5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.743 6.485 -3.534 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.389 4.565 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.563 5.058 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.294 3.331 -2.084 1.00 0.00 H new ATOM 1429 N SER A 93 -8.187 2.904 -4.591 1.00 0.00 N ATOM 1430 CA SER A 93 -9.196 2.808 -5.639 1.00 0.00 C ATOM 1431 C SER A 93 -10.600 2.943 -5.056 1.00 0.00 C ATOM 1432 O SER A 93 -11.517 3.422 -5.722 1.00 0.00 O ATOM 1433 CB SER A 93 -9.066 1.476 -6.381 1.00 0.00 C ATOM 1434 OG SER A 93 -9.626 1.559 -7.680 1.00 0.00 O ATOM 0 H SER A 93 -7.750 2.016 -4.344 1.00 0.00 H new ATOM 0 HA SER A 93 -9.033 3.625 -6.342 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.015 1.197 -6.452 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.567 0.691 -5.815 1.00 0.00 H new ATOM 0 HG SER A 93 -9.529 0.696 -8.134 1.00 0.00 H new ATOM 1440 N SER A 94 -10.758 2.518 -3.807 1.00 0.00 N ATOM 1441 CA SER A 94 -12.050 2.587 -3.134 1.00 0.00 C ATOM 1442 C SER A 94 -12.485 4.037 -2.941 1.00 0.00 C ATOM 1443 O SER A 94 -13.650 4.380 -3.145 1.00 0.00 O ATOM 1444 CB SER A 94 -11.982 1.879 -1.779 1.00 0.00 C ATOM 1445 OG SER A 94 -12.072 0.474 -1.933 1.00 0.00 O ATOM 0 H SER A 94 -10.008 2.122 -3.240 1.00 0.00 H new ATOM 0 HA SER A 94 -12.786 2.085 -3.762 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.048 2.134 -1.278 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.792 2.231 -1.140 1.00 0.00 H new ATOM 0 HG SER A 94 -12.024 0.045 -1.053 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.540 4.884 -2.547 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.824 6.298 -2.326 1.00 0.00 C ATOM 1453 C LEU A 95 -12.076 7.015 -3.648 1.00 0.00 C ATOM 1454 O LEU A 95 -12.999 7.822 -3.762 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.662 6.962 -1.586 1.00 0.00 C ATOM 1456 CG LEU A 95 -10.397 6.461 -0.166 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.977 6.798 0.263 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -11.405 7.055 0.807 1.00 0.00 C ATOM 0 H LEU A 95 -10.571 4.616 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.724 6.372 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.755 6.822 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.851 8.035 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.510 5.377 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.807 6.434 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.269 6.324 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.836 7.879 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -11.201 6.687 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.325 8.142 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -12.412 6.762 0.511 1.00 0.00 H new