USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=17 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 43 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.143) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 23 SER OG : rot 67:sc= -1.59! USER MOD Single : A 24 MET CE :methyl 172:sc= 0 (180deg=-0.116) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 28 LYS NZ :NH3+ -159:sc=-0.00246 (180deg=-0.361) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -131:sc= -1.84 (180deg=-4.79!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -6.36! C(o=-6.4!,f=-13!) USER MOD Single : A 50 THR OG1 : rot -80:sc= 0.961 USER MOD Single : A 54 CYS SG : rot 161:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.116 X(o=-0.12,f=0.012) USER MOD Single : A 56 MET CE :methyl -142:sc= -0.851 (180deg=-3.55!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 173:sc=-0.00683 (180deg=-0.0672) USER MOD Single : A 69 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.17) USER MOD Single : A 74 ASN : amide:sc= -0.131 K(o=-0.13,f=-0.97) USER MOD Single : A 78 SER OG : rot -50:sc= 0.493 USER MOD Single : A 81 LYS NZ :NH3+ 159:sc= -0.0718 (180deg=-0.4) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= 0.0981 X(o=0.098,f=-0.0027) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.881 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -73:sc= 0.363 USER MOD ----------------------------------------------------------------- ATOM 246 N ASP A 19 0.901 0.772 -10.913 1.00 0.00 N ATOM 247 CA ASP A 19 -0.392 1.051 -10.299 1.00 0.00 C ATOM 248 C ASP A 19 -0.214 1.642 -8.904 1.00 0.00 C ATOM 249 O ASP A 19 -0.935 2.559 -8.510 1.00 0.00 O ATOM 250 CB ASP A 19 -1.231 -0.225 -10.223 1.00 0.00 C ATOM 251 CG ASP A 19 -1.881 -0.570 -11.548 1.00 0.00 C ATOM 252 OD1 ASP A 19 -1.170 -1.068 -12.447 1.00 0.00 O ATOM 253 OD2 ASP A 19 -3.101 -0.344 -11.687 1.00 0.00 O ATOM 0 HA ASP A 19 -0.912 1.781 -10.920 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.598 -1.054 -9.905 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.003 -0.104 -9.463 1.00 0.00 H new ATOM 258 N PHE A 20 0.750 1.110 -8.160 1.00 0.00 N ATOM 259 CA PHE A 20 1.021 1.582 -6.807 1.00 0.00 C ATOM 260 C PHE A 20 1.506 3.029 -6.824 1.00 0.00 C ATOM 261 O PHE A 20 0.881 3.910 -6.233 1.00 0.00 O ATOM 262 CB PHE A 20 2.066 0.691 -6.132 1.00 0.00 C ATOM 263 CG PHE A 20 2.283 1.014 -4.682 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.096 2.072 -4.308 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.674 0.260 -3.692 1.00 0.00 C ATOM 266 CE1 PHE A 20 3.297 2.373 -2.974 1.00 0.00 C ATOM 267 CE2 PHE A 20 1.872 0.556 -2.356 1.00 0.00 C ATOM 268 CZ PHE A 20 2.685 1.613 -1.997 1.00 0.00 C ATOM 0 H PHE A 20 1.357 0.352 -8.471 1.00 0.00 H new ATOM 0 HA PHE A 20 0.092 1.534 -6.239 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.756 -0.350 -6.222 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.013 0.789 -6.663 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.578 2.669 -5.068 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.038 -0.568 -3.967 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.932 3.201 -2.696 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.391 -0.039 -1.594 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.842 1.845 -0.954 1.00 0.00 H new ATOM 278 N GLU A 21 2.623 3.265 -7.504 1.00 0.00 N ATOM 279 CA GLU A 21 3.192 4.605 -7.597 1.00 0.00 C ATOM 280 C GLU A 21 2.125 5.623 -7.987 1.00 0.00 C ATOM 281 O GLU A 21 2.260 6.815 -7.715 1.00 0.00 O ATOM 282 CB GLU A 21 4.333 4.629 -8.615 1.00 0.00 C ATOM 283 CG GLU A 21 5.690 4.295 -8.017 1.00 0.00 C ATOM 284 CD GLU A 21 6.400 5.516 -7.465 1.00 0.00 C ATOM 285 OE1 GLU A 21 6.238 6.609 -8.046 1.00 0.00 O ATOM 286 OE2 GLU A 21 7.117 5.377 -6.452 1.00 0.00 O ATOM 0 H GLU A 21 3.152 2.547 -7.998 1.00 0.00 H new ATOM 0 HA GLU A 21 3.585 4.874 -6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.112 3.919 -9.412 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.380 5.617 -9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.561 3.563 -7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.315 3.830 -8.780 1.00 0.00 H new ATOM 293 N ASN A 22 1.064 5.144 -8.629 1.00 0.00 N ATOM 294 CA ASN A 22 -0.026 6.012 -9.059 1.00 0.00 C ATOM 295 C ASN A 22 -1.050 6.193 -7.942 1.00 0.00 C ATOM 296 O ASN A 22 -1.524 7.302 -7.694 1.00 0.00 O ATOM 297 CB ASN A 22 -0.706 5.434 -10.301 1.00 0.00 C ATOM 298 CG ASN A 22 0.112 5.647 -11.560 1.00 0.00 C ATOM 299 OD1 ASN A 22 0.456 6.777 -11.907 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.427 4.558 -12.252 1.00 0.00 N ATOM 0 H ASN A 22 0.936 4.159 -8.863 1.00 0.00 H new ATOM 0 HA ASN A 22 0.394 6.987 -9.304 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.874 4.367 -10.156 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.685 5.897 -10.424 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.975 4.639 -13.108 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.121 3.641 -11.927 1.00 0.00 H new ATOM 307 N SER A 23 -1.387 5.096 -7.272 1.00 0.00 N ATOM 308 CA SER A 23 -2.357 5.132 -6.184 1.00 0.00 C ATOM 309 C SER A 23 -1.875 6.040 -5.057 1.00 0.00 C ATOM 310 O SER A 23 -2.603 6.922 -4.602 1.00 0.00 O ATOM 311 CB SER A 23 -2.605 3.721 -5.646 1.00 0.00 C ATOM 312 OG SER A 23 -3.209 2.900 -6.631 1.00 0.00 O ATOM 0 H SER A 23 -1.003 4.171 -7.464 1.00 0.00 H new ATOM 0 HA SER A 23 -3.291 5.533 -6.577 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.661 3.278 -5.328 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.246 3.771 -4.766 1.00 0.00 H new ATOM 0 HG SER A 23 -2.579 2.755 -7.367 1.00 0.00 H new ATOM 318 N MET A 24 -0.643 5.817 -4.611 1.00 0.00 N ATOM 319 CA MET A 24 -0.062 6.616 -3.538 1.00 0.00 C ATOM 320 C MET A 24 -0.085 8.099 -3.891 1.00 0.00 C ATOM 321 O MET A 24 -0.285 8.950 -3.026 1.00 0.00 O ATOM 322 CB MET A 24 1.373 6.167 -3.259 1.00 0.00 C ATOM 323 CG MET A 24 2.260 6.166 -4.494 1.00 0.00 C ATOM 324 SD MET A 24 3.988 6.507 -4.108 1.00 0.00 S ATOM 325 CE MET A 24 4.364 7.767 -5.324 1.00 0.00 C ATOM 0 H MET A 24 -0.028 5.090 -4.976 1.00 0.00 H new ATOM 0 HA MET A 24 -0.662 6.466 -2.641 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.811 6.824 -2.508 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.355 5.164 -2.834 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.186 5.197 -4.989 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.895 6.913 -5.199 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.352 8.183 -5.124 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.351 7.326 -6.321 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.619 8.560 -5.268 1.00 0.00 H new ATOM 335 N ASN A 25 0.123 8.402 -5.169 1.00 0.00 N ATOM 336 CA ASN A 25 0.128 9.784 -5.636 1.00 0.00 C ATOM 337 C ASN A 25 -1.234 10.436 -5.419 1.00 0.00 C ATOM 338 O ASN A 25 -1.327 11.531 -4.864 1.00 0.00 O ATOM 339 CB ASN A 25 0.503 9.842 -7.118 1.00 0.00 C ATOM 340 CG ASN A 25 0.764 11.258 -7.593 1.00 0.00 C ATOM 341 OD1 ASN A 25 0.946 12.171 -6.788 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.783 11.447 -8.908 1.00 0.00 N ATOM 0 H ASN A 25 0.290 7.709 -5.899 1.00 0.00 H new ATOM 0 HA ASN A 25 0.871 10.334 -5.058 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.392 9.235 -7.289 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.301 9.405 -7.711 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.954 12.379 -9.287 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.627 10.661 -9.539 1.00 0.00 H new ATOM 349 N GLN A 26 -2.287 9.755 -5.859 1.00 0.00 N ATOM 350 CA GLN A 26 -3.644 10.268 -5.713 1.00 0.00 C ATOM 351 C GLN A 26 -3.918 10.680 -4.270 1.00 0.00 C ATOM 352 O GLN A 26 -4.460 11.755 -4.012 1.00 0.00 O ATOM 353 CB GLN A 26 -4.661 9.215 -6.157 1.00 0.00 C ATOM 354 CG GLN A 26 -4.472 8.754 -7.593 1.00 0.00 C ATOM 355 CD GLN A 26 -5.569 7.815 -8.054 1.00 0.00 C ATOM 356 OE1 GLN A 26 -5.401 6.596 -8.050 1.00 0.00 O ATOM 357 NE2 GLN A 26 -6.703 8.380 -8.454 1.00 0.00 N ATOM 0 H GLN A 26 -2.227 8.847 -6.319 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.743 11.148 -6.348 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.590 8.352 -5.495 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.666 9.622 -6.044 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.444 9.624 -8.249 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.508 8.254 -7.686 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.799 9.395 -8.441 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.477 7.798 -8.774 1.00 0.00 H new ATOM 366 N VAL A 27 -3.539 9.818 -3.332 1.00 0.00 N ATOM 367 CA VAL A 27 -3.743 10.092 -1.914 1.00 0.00 C ATOM 368 C VAL A 27 -3.022 11.367 -1.492 1.00 0.00 C ATOM 369 O VAL A 27 -3.492 12.101 -0.622 1.00 0.00 O ATOM 370 CB VAL A 27 -3.251 8.924 -1.040 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.349 9.282 0.435 1.00 0.00 C ATOM 372 CG2 VAL A 27 -4.042 7.661 -1.344 1.00 0.00 C ATOM 0 H VAL A 27 -3.089 8.924 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.816 10.219 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.203 8.734 -1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.997 8.444 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.734 10.159 0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.386 9.500 0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.681 6.846 -0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.098 7.835 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.915 7.396 -2.393 1.00 0.00 H new ATOM 382 N LYS A 28 -1.878 11.627 -2.115 1.00 0.00 N ATOM 383 CA LYS A 28 -1.091 12.815 -1.806 1.00 0.00 C ATOM 384 C LYS A 28 -1.603 14.024 -2.583 1.00 0.00 C ATOM 385 O LYS A 28 -1.252 15.165 -2.278 1.00 0.00 O ATOM 386 CB LYS A 28 0.385 12.574 -2.133 1.00 0.00 C ATOM 387 CG LYS A 28 0.964 11.343 -1.457 1.00 0.00 C ATOM 388 CD LYS A 28 2.039 10.692 -2.311 1.00 0.00 C ATOM 389 CE LYS A 28 3.396 11.344 -2.092 1.00 0.00 C ATOM 390 NZ LYS A 28 3.540 12.601 -2.877 1.00 0.00 N ATOM 0 H LYS A 28 -1.475 11.031 -2.838 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.192 13.020 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.498 12.472 -3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.963 13.448 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.385 11.621 -0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.167 10.625 -1.263 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.102 9.630 -2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.764 10.766 -3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.528 11.561 -1.032 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.184 10.646 -2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.549 12.824 -2.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.102 12.478 -3.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.070 13.380 -2.374 1.00 0.00 H new ATOM 519 N ASN A 36 -7.328 9.671 10.337 1.00 0.00 N ATOM 520 CA ASN A 36 -6.185 8.909 10.826 1.00 0.00 C ATOM 521 C ASN A 36 -6.407 7.412 10.635 1.00 0.00 C ATOM 522 O ASN A 36 -5.456 6.631 10.618 1.00 0.00 O ATOM 523 CB ASN A 36 -5.936 9.215 12.304 1.00 0.00 C ATOM 524 CG ASN A 36 -5.173 10.510 12.507 1.00 0.00 C ATOM 525 OD1 ASN A 36 -5.725 11.599 12.355 1.00 0.00 O ATOM 526 ND2 ASN A 36 -3.895 10.396 12.851 1.00 0.00 N ATOM 0 HA ASN A 36 -5.309 9.205 10.248 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.891 9.274 12.826 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.378 8.394 12.753 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.330 11.232 13.000 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.478 9.472 12.966 1.00 0.00 H new ATOM 533 N GLU A 37 -7.669 7.020 10.492 1.00 0.00 N ATOM 534 CA GLU A 37 -8.016 5.617 10.303 1.00 0.00 C ATOM 535 C GLU A 37 -7.403 5.074 9.015 1.00 0.00 C ATOM 536 O GLU A 37 -6.778 4.013 9.011 1.00 0.00 O ATOM 537 CB GLU A 37 -9.536 5.444 10.269 1.00 0.00 C ATOM 538 CG GLU A 37 -9.981 4.023 9.967 1.00 0.00 C ATOM 539 CD GLU A 37 -10.080 3.166 11.213 1.00 0.00 C ATOM 540 OE1 GLU A 37 -10.701 3.619 12.197 1.00 0.00 O ATOM 541 OE2 GLU A 37 -9.538 2.041 11.204 1.00 0.00 O ATOM 0 H GLU A 37 -8.468 7.654 10.503 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.612 5.053 11.144 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.949 5.748 11.231 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.953 6.114 9.517 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.951 4.048 9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.277 3.566 9.271 1.00 0.00 H new ATOM 548 N VAL A 38 -7.586 5.809 7.923 1.00 0.00 N ATOM 549 CA VAL A 38 -7.051 5.403 6.629 1.00 0.00 C ATOM 550 C VAL A 38 -5.576 5.768 6.505 1.00 0.00 C ATOM 551 O VAL A 38 -4.780 5.006 5.957 1.00 0.00 O ATOM 552 CB VAL A 38 -7.829 6.054 5.470 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.982 7.549 5.703 1.00 0.00 C ATOM 554 CG2 VAL A 38 -7.136 5.781 4.144 1.00 0.00 C ATOM 0 H VAL A 38 -8.101 6.689 7.909 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.161 4.320 6.567 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.825 5.613 5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.534 7.992 4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.525 7.719 6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.996 8.010 5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.699 6.248 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.127 6.193 4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.084 4.705 3.975 1.00 0.00 H new ATOM 564 N LYS A 39 -5.218 6.941 7.018 1.00 0.00 N ATOM 565 CA LYS A 39 -3.838 7.409 6.967 1.00 0.00 C ATOM 566 C LYS A 39 -2.883 6.348 7.505 1.00 0.00 C ATOM 567 O LYS A 39 -1.679 6.395 7.250 1.00 0.00 O ATOM 568 CB LYS A 39 -3.686 8.702 7.772 1.00 0.00 C ATOM 569 CG LYS A 39 -4.379 9.896 7.139 1.00 0.00 C ATOM 570 CD LYS A 39 -4.854 10.886 8.190 1.00 0.00 C ATOM 571 CE LYS A 39 -4.934 12.298 7.630 1.00 0.00 C ATOM 572 NZ LYS A 39 -5.316 13.288 8.674 1.00 0.00 N ATOM 0 H LYS A 39 -5.865 7.585 7.474 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.586 7.605 5.925 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.089 8.547 8.773 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.626 8.926 7.887 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.694 10.393 6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.229 9.554 6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.834 10.584 8.559 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.173 10.869 9.041 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.970 12.574 7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.662 12.326 6.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.360 14.238 8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.247 13.039 9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.608 13.280 9.436 1.00 0.00 H new ATOM 586 N LEU A 40 -3.428 5.391 8.249 1.00 0.00 N ATOM 587 CA LEU A 40 -2.624 4.317 8.822 1.00 0.00 C ATOM 588 C LEU A 40 -2.629 3.090 7.915 1.00 0.00 C ATOM 589 O LEU A 40 -1.599 2.445 7.719 1.00 0.00 O ATOM 590 CB LEU A 40 -3.152 3.942 10.208 1.00 0.00 C ATOM 591 CG LEU A 40 -2.942 4.982 11.309 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.817 4.669 12.513 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.476 5.041 11.714 1.00 0.00 C ATOM 0 H LEU A 40 -4.422 5.337 8.469 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.598 4.674 8.915 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.220 3.740 10.126 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.674 3.012 10.518 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.231 5.958 10.920 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.654 5.420 13.286 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.865 4.678 12.213 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.560 3.684 12.903 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.345 5.786 12.498 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.161 4.065 12.084 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.870 5.314 10.850 1.00 0.00 H new ATOM 605 N LYS A 41 -3.795 2.775 7.361 1.00 0.00 N ATOM 606 CA LYS A 41 -3.934 1.628 6.472 1.00 0.00 C ATOM 607 C LYS A 41 -3.087 1.807 5.216 1.00 0.00 C ATOM 608 O LYS A 41 -2.595 0.834 4.643 1.00 0.00 O ATOM 609 CB LYS A 41 -5.402 1.432 6.086 1.00 0.00 C ATOM 610 CG LYS A 41 -5.806 2.182 4.828 1.00 0.00 C ATOM 611 CD LYS A 41 -7.315 2.197 4.649 1.00 0.00 C ATOM 612 CE LYS A 41 -7.854 0.807 4.349 1.00 0.00 C ATOM 613 NZ LYS A 41 -7.098 0.144 3.251 1.00 0.00 N ATOM 0 H LYS A 41 -4.657 3.298 7.512 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.582 0.743 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.592 0.368 5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.033 1.759 6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.434 3.205 4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.340 1.716 3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.786 2.584 5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.579 2.874 3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.799 0.194 5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.907 0.877 4.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.766 -0.241 2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.476 0.838 2.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.523 -0.629 3.643 1.00 0.00 H new ATOM 627 N LEU A 42 -2.920 3.056 4.794 1.00 0.00 N ATOM 628 CA LEU A 42 -2.131 3.363 3.606 1.00 0.00 C ATOM 629 C LEU A 42 -0.640 3.210 3.889 1.00 0.00 C ATOM 630 O LEU A 42 0.134 2.834 3.009 1.00 0.00 O ATOM 631 CB LEU A 42 -2.427 4.784 3.126 1.00 0.00 C ATOM 632 CG LEU A 42 -3.554 4.925 2.101 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.288 4.044 0.891 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.894 4.578 2.731 1.00 0.00 C ATOM 0 H LEU A 42 -3.320 3.872 5.257 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.408 2.657 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.674 5.395 3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.516 5.197 2.694 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.589 5.962 1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.100 4.157 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.348 4.340 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.225 3.002 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.684 4.684 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.871 3.550 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.089 5.251 3.566 1.00 0.00 H new ATOM 646 N TYR A 43 -0.244 3.503 5.123 1.00 0.00 N ATOM 647 CA TYR A 43 1.154 3.399 5.522 1.00 0.00 C ATOM 648 C TYR A 43 1.529 1.950 5.820 1.00 0.00 C ATOM 649 O TYR A 43 2.646 1.516 5.537 1.00 0.00 O ATOM 650 CB TYR A 43 1.422 4.269 6.751 1.00 0.00 C ATOM 651 CG TYR A 43 2.466 3.697 7.683 1.00 0.00 C ATOM 652 CD1 TYR A 43 3.814 3.989 7.511 1.00 0.00 C ATOM 653 CD2 TYR A 43 2.106 2.863 8.734 1.00 0.00 C ATOM 654 CE1 TYR A 43 4.771 3.468 8.359 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.056 2.339 9.588 1.00 0.00 C ATOM 656 CZ TYR A 43 4.388 2.643 9.397 1.00 0.00 C ATOM 657 OH TYR A 43 5.338 2.122 10.244 1.00 0.00 O ATOM 0 H TYR A 43 -0.872 3.814 5.864 1.00 0.00 H new ATOM 0 HA TYR A 43 1.769 3.752 4.694 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.743 5.258 6.423 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.490 4.403 7.301 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.118 4.634 6.700 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.065 2.620 8.886 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.814 3.705 8.211 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.758 1.694 10.402 1.00 0.00 H new ATOM 0 HH TYR A 43 4.902 1.563 10.920 1.00 0.00 H new ATOM 667 N ALA A 44 0.587 1.207 6.391 1.00 0.00 N ATOM 668 CA ALA A 44 0.816 -0.193 6.724 1.00 0.00 C ATOM 669 C ALA A 44 1.289 -0.978 5.505 1.00 0.00 C ATOM 670 O ALA A 44 2.251 -1.743 5.582 1.00 0.00 O ATOM 671 CB ALA A 44 -0.450 -0.814 7.295 1.00 0.00 C ATOM 0 H ALA A 44 -0.342 1.552 6.633 1.00 0.00 H new ATOM 0 HA ALA A 44 1.601 -0.237 7.479 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.264 -1.860 7.539 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.744 -0.277 8.197 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.251 -0.750 6.558 1.00 0.00 H new ATOM 677 N LEU A 45 0.607 -0.783 4.382 1.00 0.00 N ATOM 678 CA LEU A 45 0.957 -1.474 3.145 1.00 0.00 C ATOM 679 C LEU A 45 2.257 -0.925 2.564 1.00 0.00 C ATOM 680 O LEU A 45 3.138 -1.684 2.161 1.00 0.00 O ATOM 681 CB LEU A 45 -0.171 -1.334 2.122 1.00 0.00 C ATOM 682 CG LEU A 45 -1.379 -2.249 2.326 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.930 -3.645 2.728 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.318 -1.667 3.373 1.00 0.00 C ATOM 0 H LEU A 45 -0.191 -0.153 4.302 1.00 0.00 H new ATOM 0 HA LEU A 45 1.100 -2.530 3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.517 -0.301 2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.239 -1.523 1.130 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.919 -2.321 1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.803 -4.282 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.298 -4.064 1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.366 -3.592 3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.172 -2.331 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.788 -1.564 4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.667 -0.688 3.045 1.00 0.00 H new ATOM 696 N TYR A 46 2.369 0.398 2.527 1.00 0.00 N ATOM 697 CA TYR A 46 3.561 1.049 1.995 1.00 0.00 C ATOM 698 C TYR A 46 4.827 0.389 2.531 1.00 0.00 C ATOM 699 O TYR A 46 5.662 -0.095 1.766 1.00 0.00 O ATOM 700 CB TYR A 46 3.557 2.536 2.352 1.00 0.00 C ATOM 701 CG TYR A 46 4.879 3.224 2.096 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.293 3.516 0.801 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.715 3.580 3.146 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.500 4.143 0.562 1.00 0.00 C ATOM 705 CE2 TYR A 46 6.923 4.209 2.916 1.00 0.00 C ATOM 706 CZ TYR A 46 7.311 4.488 1.623 1.00 0.00 C ATOM 707 OH TYR A 46 8.515 5.113 1.389 1.00 0.00 O ATOM 0 H TYR A 46 1.650 1.041 2.859 1.00 0.00 H new ATOM 0 HA TYR A 46 3.549 0.942 0.910 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.779 3.037 1.776 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.297 2.648 3.405 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.660 3.248 -0.032 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.415 3.361 4.160 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.807 4.362 -0.450 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.560 4.481 3.745 1.00 0.00 H new ATOM 0 HH TYR A 46 8.964 5.289 2.242 1.00 0.00 H new ATOM 717 N LYS A 47 4.963 0.371 3.853 1.00 0.00 N ATOM 718 CA LYS A 47 6.126 -0.231 4.495 1.00 0.00 C ATOM 719 C LYS A 47 6.150 -1.739 4.272 1.00 0.00 C ATOM 720 O LYS A 47 7.172 -2.391 4.487 1.00 0.00 O ATOM 721 CB LYS A 47 6.121 0.074 5.994 1.00 0.00 C ATOM 722 CG LYS A 47 6.209 1.557 6.314 1.00 0.00 C ATOM 723 CD LYS A 47 7.598 2.106 6.032 1.00 0.00 C ATOM 724 CE LYS A 47 8.540 1.868 7.202 1.00 0.00 C ATOM 725 NZ LYS A 47 8.498 2.986 8.184 1.00 0.00 N ATOM 0 H LYS A 47 4.282 0.767 4.501 1.00 0.00 H new ATOM 0 HA LYS A 47 7.021 0.199 4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.210 -0.331 6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.959 -0.441 6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.474 2.102 5.722 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.958 1.720 7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.002 1.634 5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.533 3.175 5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.272 0.937 7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.558 1.749 6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.467 3.299 8.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.958 3.779 7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.040 2.662 9.060 1.00 0.00 H new ATOM 739 N GLN A 48 5.019 -2.287 3.839 1.00 0.00 N ATOM 740 CA GLN A 48 4.912 -3.719 3.587 1.00 0.00 C ATOM 741 C GLN A 48 5.297 -4.049 2.149 1.00 0.00 C ATOM 742 O GLN A 48 5.740 -5.159 1.853 1.00 0.00 O ATOM 743 CB GLN A 48 3.489 -4.204 3.870 1.00 0.00 C ATOM 744 CG GLN A 48 3.378 -5.713 4.015 1.00 0.00 C ATOM 745 CD GLN A 48 3.593 -6.180 5.442 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.440 -5.408 6.389 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.949 -7.449 5.602 1.00 0.00 N ATOM 0 H GLN A 48 4.164 -1.761 3.656 1.00 0.00 H new ATOM 0 HA GLN A 48 5.603 -4.232 4.256 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.128 -3.732 4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.835 -3.876 3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.394 -6.035 3.676 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.111 -6.191 3.366 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.064 -8.053 4.788 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.107 -7.820 6.539 1.00 0.00 H new ATOM 756 N ALA A 49 5.125 -3.078 1.258 1.00 0.00 N ATOM 757 CA ALA A 49 5.456 -3.265 -0.149 1.00 0.00 C ATOM 758 C ALA A 49 6.801 -2.629 -0.486 1.00 0.00 C ATOM 759 O ALA A 49 7.166 -2.505 -1.656 1.00 0.00 O ATOM 760 CB ALA A 49 4.360 -2.684 -1.031 1.00 0.00 C ATOM 0 H ALA A 49 4.758 -2.154 1.486 1.00 0.00 H new ATOM 0 HA ALA A 49 5.532 -4.336 -0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.620 -2.831 -2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.417 -3.187 -0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.257 -1.618 -0.829 1.00 0.00 H new ATOM 766 N THR A 50 7.535 -2.226 0.547 1.00 0.00 N ATOM 767 CA THR A 50 8.839 -1.601 0.360 1.00 0.00 C ATOM 768 C THR A 50 9.881 -2.217 1.287 1.00 0.00 C ATOM 769 O THR A 50 11.045 -2.363 0.916 1.00 0.00 O ATOM 770 CB THR A 50 8.775 -0.083 0.613 1.00 0.00 C ATOM 771 OG1 THR A 50 8.201 0.175 1.899 1.00 0.00 O ATOM 772 CG2 THR A 50 7.955 0.611 -0.463 1.00 0.00 C ATOM 0 H THR A 50 7.249 -2.321 1.521 1.00 0.00 H new ATOM 0 HA THR A 50 9.129 -1.777 -0.676 1.00 0.00 H new ATOM 0 HB THR A 50 9.791 0.311 0.583 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.225 0.104 1.842 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.924 1.682 -0.263 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.412 0.437 -1.437 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.941 0.212 -0.461 1.00 0.00 H new ATOM 780 N GLU A 51 9.454 -2.576 2.494 1.00 0.00 N ATOM 781 CA GLU A 51 10.353 -3.176 3.473 1.00 0.00 C ATOM 782 C GLU A 51 9.950 -4.618 3.770 1.00 0.00 C ATOM 783 O GLU A 51 10.801 -5.487 3.949 1.00 0.00 O ATOM 784 CB GLU A 51 10.352 -2.358 4.767 1.00 0.00 C ATOM 785 CG GLU A 51 10.403 -0.857 4.538 1.00 0.00 C ATOM 786 CD GLU A 51 11.805 -0.360 4.245 1.00 0.00 C ATOM 787 OE1 GLU A 51 12.403 -0.821 3.250 1.00 0.00 O ATOM 788 OE2 GLU A 51 12.304 0.492 5.010 1.00 0.00 O ATOM 0 H GLU A 51 8.493 -2.462 2.817 1.00 0.00 H new ATOM 0 HA GLU A 51 11.359 -3.177 3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.456 -2.600 5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.207 -2.654 5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.748 -0.598 3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.017 -0.345 5.419 1.00 0.00 H new ATOM 795 N GLY A 52 8.644 -4.863 3.820 1.00 0.00 N ATOM 796 CA GLY A 52 8.150 -6.199 4.095 1.00 0.00 C ATOM 797 C GLY A 52 7.406 -6.282 5.413 1.00 0.00 C ATOM 798 O GLY A 52 6.667 -5.373 5.792 1.00 0.00 O ATOM 0 H GLY A 52 7.920 -4.160 3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.488 -6.512 3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.987 -6.897 4.109 1.00 0.00 H new ATOM 802 N PRO A 53 7.597 -7.396 6.136 1.00 0.00 N ATOM 803 CA PRO A 53 6.946 -7.622 7.430 1.00 0.00 C ATOM 804 C PRO A 53 7.488 -6.704 8.520 1.00 0.00 C ATOM 805 O PRO A 53 8.692 -6.450 8.589 1.00 0.00 O ATOM 806 CB PRO A 53 7.279 -9.082 7.745 1.00 0.00 C ATOM 807 CG PRO A 53 8.538 -9.353 6.996 1.00 0.00 C ATOM 808 CD PRO A 53 8.464 -8.521 5.746 1.00 0.00 C ATOM 0 HA PRO A 53 5.877 -7.414 7.390 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.414 -9.235 8.816 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.478 -9.749 7.427 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.411 -9.086 7.591 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.628 -10.412 6.755 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.450 -8.178 5.432 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.042 -9.084 4.913 1.00 0.00 H new ATOM 816 N CYS A 54 6.595 -6.209 9.369 1.00 0.00 N ATOM 817 CA CYS A 54 6.985 -5.318 10.457 1.00 0.00 C ATOM 818 C CYS A 54 8.187 -5.876 11.212 1.00 0.00 C ATOM 819 O CYS A 54 8.062 -6.830 11.979 1.00 0.00 O ATOM 820 CB CYS A 54 5.814 -5.111 11.418 1.00 0.00 C ATOM 821 SG CYS A 54 6.258 -4.254 12.948 1.00 0.00 S ATOM 0 H CYS A 54 5.596 -6.409 9.326 1.00 0.00 H new ATOM 0 HA CYS A 54 7.265 -4.357 10.025 1.00 0.00 H new ATOM 0 HB2 CYS A 54 5.036 -4.543 10.909 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.387 -6.082 11.669 1.00 0.00 H new ATOM 0 HG CYS A 54 5.187 -3.761 13.496 1.00 0.00 H new ATOM 827 N ASN A 55 9.351 -5.276 10.988 1.00 0.00 N ATOM 828 CA ASN A 55 10.576 -5.715 11.645 1.00 0.00 C ATOM 829 C ASN A 55 11.150 -4.606 12.522 1.00 0.00 C ATOM 830 O ASN A 55 12.307 -4.664 12.936 1.00 0.00 O ATOM 831 CB ASN A 55 11.612 -6.145 10.605 1.00 0.00 C ATOM 832 CG ASN A 55 11.998 -5.015 9.671 1.00 0.00 C ATOM 833 OD1 ASN A 55 13.081 -4.442 9.785 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.109 -4.689 8.739 1.00 0.00 N ATOM 0 H ASN A 55 9.472 -4.484 10.356 1.00 0.00 H new ATOM 0 HA ASN A 55 10.333 -6.567 12.279 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.503 -6.512 11.114 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.214 -6.975 10.021 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.312 -3.936 8.081 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.223 -5.191 8.681 1.00 0.00 H new ATOM 841 N MET A 56 10.332 -3.596 12.801 1.00 0.00 N ATOM 842 CA MET A 56 10.757 -2.475 13.630 1.00 0.00 C ATOM 843 C MET A 56 10.435 -2.731 15.098 1.00 0.00 C ATOM 844 O MET A 56 9.546 -3.513 15.436 1.00 0.00 O ATOM 845 CB MET A 56 10.082 -1.183 13.165 1.00 0.00 C ATOM 846 CG MET A 56 8.603 -1.349 12.854 1.00 0.00 C ATOM 847 SD MET A 56 7.781 0.222 12.525 1.00 0.00 S ATOM 848 CE MET A 56 8.190 1.135 14.011 1.00 0.00 C ATOM 0 H MET A 56 9.371 -3.531 12.465 1.00 0.00 H new ATOM 0 HA MET A 56 11.837 -2.369 13.527 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.200 -0.423 13.937 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.593 -0.815 12.275 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.489 -2.002 11.989 1.00 0.00 H new ATOM 0 HG3 MET A 56 8.113 -1.842 13.693 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.336 1.743 14.311 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.438 0.437 14.811 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.045 1.782 13.817 1.00 0.00 H new ATOM 858 N PRO A 57 11.172 -2.057 15.994 1.00 0.00 N ATOM 859 CA PRO A 57 10.982 -2.196 17.441 1.00 0.00 C ATOM 860 C PRO A 57 9.669 -1.582 17.914 1.00 0.00 C ATOM 861 O PRO A 57 9.319 -0.466 17.529 1.00 0.00 O ATOM 862 CB PRO A 57 12.172 -1.434 18.030 1.00 0.00 C ATOM 863 CG PRO A 57 12.546 -0.446 16.979 1.00 0.00 C ATOM 864 CD PRO A 57 12.249 -1.109 15.663 1.00 0.00 C ATOM 0 HA PRO A 57 10.934 -3.241 17.748 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.902 -0.938 18.962 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.000 -2.106 18.255 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.975 0.476 17.089 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.600 -0.179 17.052 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.931 -0.386 14.912 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.125 -1.620 15.264 1.00 0.00 H new ATOM 872 N LYS A 58 8.946 -2.316 18.752 1.00 0.00 N ATOM 873 CA LYS A 58 7.672 -1.843 19.281 1.00 0.00 C ATOM 874 C LYS A 58 7.849 -0.529 20.034 1.00 0.00 C ATOM 875 O LYS A 58 8.639 -0.425 20.972 1.00 0.00 O ATOM 876 CB LYS A 58 7.058 -2.896 20.207 1.00 0.00 C ATOM 877 CG LYS A 58 5.596 -2.643 20.531 1.00 0.00 C ATOM 878 CD LYS A 58 4.898 -3.914 20.986 1.00 0.00 C ATOM 879 CE LYS A 58 3.419 -3.674 21.247 1.00 0.00 C ATOM 880 NZ LYS A 58 2.824 -4.746 22.093 1.00 0.00 N ATOM 0 H LYS A 58 9.221 -3.242 19.080 1.00 0.00 H new ATOM 0 HA LYS A 58 7.000 -1.671 18.440 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.154 -3.877 19.742 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.627 -2.927 21.136 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.521 -1.886 21.312 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.091 -2.244 19.651 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.014 -4.686 20.226 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.373 -4.286 21.894 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.289 -2.710 21.738 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.886 -3.623 20.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.815 -4.546 22.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.925 -5.663 21.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.315 -4.778 23.009 1.00 0.00 H new ATOM 894 N PRO A 59 7.096 0.500 19.616 1.00 0.00 N ATOM 895 CA PRO A 59 7.151 1.825 20.240 1.00 0.00 C ATOM 896 C PRO A 59 6.555 1.831 21.643 1.00 0.00 C ATOM 897 O PRO A 59 5.858 0.897 22.036 1.00 0.00 O ATOM 898 CB PRO A 59 6.313 2.695 19.299 1.00 0.00 C ATOM 899 CG PRO A 59 5.380 1.743 18.634 1.00 0.00 C ATOM 900 CD PRO A 59 6.133 0.447 18.504 1.00 0.00 C ATOM 0 HA PRO A 59 8.176 2.174 20.366 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.769 3.463 19.849 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.941 3.208 18.571 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.473 1.610 19.223 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.073 2.116 17.657 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.469 -0.414 18.588 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.636 0.369 17.540 1.00 0.00 H new ATOM 908 N GLY A 60 6.833 2.892 22.395 1.00 0.00 N ATOM 909 CA GLY A 60 6.316 3.000 23.747 1.00 0.00 C ATOM 910 C GLY A 60 4.939 3.631 23.792 1.00 0.00 C ATOM 911 O GLY A 60 4.611 4.483 22.966 1.00 0.00 O ATOM 0 H GLY A 60 7.407 3.679 22.092 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.273 2.008 24.196 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.004 3.593 24.350 1.00 0.00 H new ATOM 915 N VAL A 61 4.128 3.212 24.759 1.00 0.00 N ATOM 916 CA VAL A 61 2.778 3.742 24.908 1.00 0.00 C ATOM 917 C VAL A 61 2.762 5.258 24.748 1.00 0.00 C ATOM 918 O VAL A 61 1.958 5.804 23.992 1.00 0.00 O ATOM 919 CB VAL A 61 2.180 3.375 26.279 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.823 1.897 26.328 1.00 0.00 C ATOM 921 CG2 VAL A 61 3.148 3.735 27.396 1.00 0.00 C ATOM 0 H VAL A 61 4.383 2.507 25.451 1.00 0.00 H new ATOM 0 HA VAL A 61 2.172 3.291 24.123 1.00 0.00 H new ATOM 0 HB VAL A 61 1.265 3.950 26.422 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.402 1.657 27.304 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.091 1.674 25.552 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.720 1.300 26.163 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.709 3.469 28.358 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.081 3.188 27.259 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.348 4.806 27.373 1.00 0.00 H new ATOM 931 N PHE A 62 3.655 5.933 25.464 1.00 0.00 N ATOM 932 CA PHE A 62 3.744 7.387 25.402 1.00 0.00 C ATOM 933 C PHE A 62 3.712 7.872 23.956 1.00 0.00 C ATOM 934 O PHE A 62 3.179 8.942 23.660 1.00 0.00 O ATOM 935 CB PHE A 62 5.024 7.871 26.086 1.00 0.00 C ATOM 936 CG PHE A 62 5.380 7.085 27.316 1.00 0.00 C ATOM 937 CD1 PHE A 62 4.403 6.722 28.229 1.00 0.00 C ATOM 938 CD2 PHE A 62 6.691 6.709 27.559 1.00 0.00 C ATOM 939 CE1 PHE A 62 4.728 6.000 29.362 1.00 0.00 C ATOM 940 CE2 PHE A 62 7.022 5.986 28.689 1.00 0.00 C ATOM 941 CZ PHE A 62 6.039 5.631 29.592 1.00 0.00 C ATOM 0 H PHE A 62 4.328 5.496 26.094 1.00 0.00 H new ATOM 0 HA PHE A 62 2.882 7.801 25.925 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.850 7.814 25.376 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.908 8.921 26.356 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.376 7.006 28.053 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.464 6.984 26.857 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.957 5.725 30.067 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.048 5.699 28.866 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.295 5.066 30.476 1.00 0.00 H new ATOM 951 N ASP A 63 4.287 7.079 23.059 1.00 0.00 N ATOM 952 CA ASP A 63 4.325 7.426 21.643 1.00 0.00 C ATOM 953 C ASP A 63 3.104 6.874 20.915 1.00 0.00 C ATOM 954 O ASP A 63 3.165 5.811 20.295 1.00 0.00 O ATOM 955 CB ASP A 63 5.604 6.890 20.999 1.00 0.00 C ATOM 956 CG ASP A 63 6.756 7.871 21.095 1.00 0.00 C ATOM 957 OD1 ASP A 63 6.534 9.073 20.840 1.00 0.00 O ATOM 958 OD2 ASP A 63 7.880 7.437 21.425 1.00 0.00 O ATOM 0 H ASP A 63 4.734 6.191 23.287 1.00 0.00 H new ATOM 0 HA ASP A 63 4.314 8.513 21.560 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.886 5.955 21.482 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.411 6.662 19.951 1.00 0.00 H new ATOM 963 N LEU A 64 1.995 7.601 20.995 1.00 0.00 N ATOM 964 CA LEU A 64 0.758 7.183 20.344 1.00 0.00 C ATOM 965 C LEU A 64 0.914 7.182 18.827 1.00 0.00 C ATOM 966 O LEU A 64 0.413 6.289 18.142 1.00 0.00 O ATOM 967 CB LEU A 64 -0.392 8.107 20.749 1.00 0.00 C ATOM 968 CG LEU A 64 -0.583 8.322 22.251 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.662 9.363 22.508 1.00 0.00 C ATOM 970 CD2 LEU A 64 -0.932 7.009 22.937 1.00 0.00 C ATOM 0 H LEU A 64 1.927 8.482 21.504 1.00 0.00 H new ATOM 0 HA LEU A 64 0.532 6.167 20.668 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.233 9.078 20.280 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.318 7.703 20.339 1.00 0.00 H new ATOM 0 HG LEU A 64 0.354 8.689 22.669 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.784 9.503 23.582 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.372 10.308 22.050 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.604 9.025 22.077 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.064 7.181 24.005 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.856 6.613 22.516 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.126 6.292 22.782 1.00 0.00 H new ATOM 982 N ILE A 65 1.613 8.186 18.309 1.00 0.00 N ATOM 983 CA ILE A 65 1.838 8.299 16.873 1.00 0.00 C ATOM 984 C ILE A 65 2.492 7.038 16.318 1.00 0.00 C ATOM 985 O ILE A 65 1.989 6.428 15.376 1.00 0.00 O ATOM 986 CB ILE A 65 2.722 9.513 16.535 1.00 0.00 C ATOM 987 CG1 ILE A 65 2.088 10.798 17.072 1.00 0.00 C ATOM 988 CG2 ILE A 65 2.937 9.610 15.032 1.00 0.00 C ATOM 989 CD1 ILE A 65 0.577 10.795 17.017 1.00 0.00 C ATOM 0 H ILE A 65 2.033 8.933 18.862 1.00 0.00 H new ATOM 0 HA ILE A 65 0.860 8.432 16.410 1.00 0.00 H new ATOM 0 HB ILE A 65 3.693 9.381 17.013 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.406 10.946 18.104 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.463 11.646 16.498 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.564 10.473 14.809 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.427 8.704 14.675 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.974 9.722 14.533 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.197 11.736 17.413 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.251 10.678 15.984 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.193 9.968 17.614 1.00 0.00 H new ATOM 1001 N ASN A 66 3.617 6.651 16.912 1.00 0.00 N ATOM 1002 CA ASN A 66 4.340 5.461 16.478 1.00 0.00 C ATOM 1003 C ASN A 66 3.512 4.203 16.722 1.00 0.00 C ATOM 1004 O ASN A 66 3.360 3.365 15.833 1.00 0.00 O ATOM 1005 CB ASN A 66 5.677 5.356 17.214 1.00 0.00 C ATOM 1006 CG ASN A 66 6.724 6.295 16.647 1.00 0.00 C ATOM 1007 OD1 ASN A 66 7.565 5.893 15.843 1.00 0.00 O ATOM 1008 ND2 ASN A 66 6.678 7.555 17.065 1.00 0.00 N ATOM 0 H ASN A 66 4.047 7.144 17.695 1.00 0.00 H new ATOM 0 HA ASN A 66 4.528 5.549 15.408 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.526 5.580 18.270 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.042 4.331 17.154 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.357 8.232 16.718 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.963 7.845 17.733 1.00 0.00 H new ATOM 1015 N LYS A 67 2.979 4.077 17.932 1.00 0.00 N ATOM 1016 CA LYS A 67 2.165 2.923 18.294 1.00 0.00 C ATOM 1017 C LYS A 67 1.035 2.718 17.290 1.00 0.00 C ATOM 1018 O LYS A 67 0.722 1.588 16.916 1.00 0.00 O ATOM 1019 CB LYS A 67 1.586 3.102 19.699 1.00 0.00 C ATOM 1020 CG LYS A 67 1.286 1.790 20.404 1.00 0.00 C ATOM 1021 CD LYS A 67 2.553 0.991 20.658 1.00 0.00 C ATOM 1022 CE LYS A 67 2.353 -0.035 21.763 1.00 0.00 C ATOM 1023 NZ LYS A 67 1.244 -0.978 21.451 1.00 0.00 N ATOM 0 H LYS A 67 3.096 4.761 18.680 1.00 0.00 H new ATOM 0 HA LYS A 67 2.804 2.040 18.281 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.289 3.677 20.302 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.669 3.688 19.633 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.786 1.991 21.351 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.598 1.200 19.799 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.855 0.485 19.741 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.363 1.668 20.931 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.276 -0.596 21.909 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.140 0.478 22.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.216 -1.731 22.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.340 -0.464 21.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.400 -1.399 20.513 1.00 0.00 H new ATOM 1037 N ALA A 68 0.428 3.818 16.856 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.664 3.758 15.892 1.00 0.00 C ATOM 1039 C ALA A 68 -0.225 3.064 14.607 1.00 0.00 C ATOM 1040 O ALA A 68 -0.921 2.189 14.092 1.00 0.00 O ATOM 1041 CB ALA A 68 -1.178 5.158 15.589 1.00 0.00 C ATOM 0 H ALA A 68 0.674 4.761 17.157 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.472 3.173 16.332 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.993 5.098 14.868 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.540 5.620 16.508 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.370 5.760 15.174 1.00 0.00 H new ATOM 1047 N LYS A 69 0.934 3.461 14.092 1.00 0.00 N ATOM 1048 CA LYS A 69 1.467 2.877 12.867 1.00 0.00 C ATOM 1049 C LYS A 69 1.908 1.435 13.098 1.00 0.00 C ATOM 1050 O LYS A 69 1.520 0.532 12.357 1.00 0.00 O ATOM 1051 CB LYS A 69 2.647 3.706 12.355 1.00 0.00 C ATOM 1052 CG LYS A 69 2.243 4.809 11.391 1.00 0.00 C ATOM 1053 CD LYS A 69 1.881 6.088 12.128 1.00 0.00 C ATOM 1054 CE LYS A 69 1.378 7.158 11.171 1.00 0.00 C ATOM 1055 NZ LYS A 69 0.419 8.086 11.832 1.00 0.00 N ATOM 0 H LYS A 69 1.522 4.185 14.504 1.00 0.00 H new ATOM 0 HA LYS A 69 0.675 2.880 12.118 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.165 4.150 13.205 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.357 3.044 11.860 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.061 5.006 10.698 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.393 4.479 10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.115 5.875 12.873 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.754 6.459 12.665 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.224 7.725 10.783 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.894 6.683 10.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.398 8.989 11.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.531 7.663 11.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.720 8.255 12.813 1.00 0.00 H new ATOM 1069 N TRP A 70 2.717 1.227 14.130 1.00 0.00 N ATOM 1070 CA TRP A 70 3.209 -0.106 14.459 1.00 0.00 C ATOM 1071 C TRP A 70 2.088 -1.137 14.370 1.00 0.00 C ATOM 1072 O TRP A 70 2.285 -2.238 13.857 1.00 0.00 O ATOM 1073 CB TRP A 70 3.818 -0.116 15.862 1.00 0.00 C ATOM 1074 CG TRP A 70 4.800 -1.228 16.075 1.00 0.00 C ATOM 1075 CD1 TRP A 70 6.113 -1.245 15.701 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.546 -2.485 16.712 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.691 -2.437 16.066 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.751 -3.215 16.688 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.419 -3.065 17.301 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.858 -4.493 17.230 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.527 -4.334 17.838 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.739 -5.036 17.801 1.00 0.00 C ATOM 0 H TRP A 70 3.046 1.964 14.754 1.00 0.00 H new ATOM 0 HA TRP A 70 3.979 -0.371 13.735 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.315 0.837 16.041 1.00 0.00 H new ATOM 0 HB3 TRP A 70 3.018 -0.202 16.597 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.623 -0.440 15.193 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.663 -2.700 15.901 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.481 -2.531 17.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.791 -5.036 17.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.662 -4.792 18.294 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.791 -6.025 18.232 1.00 0.00 H new ATOM 1093 N ASP A 71 0.914 -0.772 14.872 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.239 -1.665 14.849 1.00 0.00 C ATOM 1095 C ASP A 71 -0.799 -1.790 13.435 1.00 0.00 C ATOM 1096 O ASP A 71 -1.407 -2.802 13.086 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.324 -1.156 15.798 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.063 -1.548 17.239 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -0.274 -0.849 17.910 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -1.646 -2.553 17.697 1.00 0.00 O ATOM 0 H ASP A 71 0.735 0.136 15.300 1.00 0.00 H new ATOM 0 HA ASP A 71 0.088 -2.651 15.180 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.386 -0.070 15.725 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.290 -1.552 15.486 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.592 -0.755 12.628 1.00 0.00 N ATOM 1106 CA ALA A 72 -1.076 -0.751 11.253 1.00 0.00 C ATOM 1107 C ALA A 72 -0.186 -1.602 10.354 1.00 0.00 C ATOM 1108 O ALA A 72 -0.676 -2.349 9.508 1.00 0.00 O ATOM 1109 CB ALA A 72 -1.152 0.675 10.725 1.00 0.00 C ATOM 0 H ALA A 72 -0.093 0.091 12.902 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.076 -1.185 11.245 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.515 0.664 9.697 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.835 1.256 11.344 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.161 1.127 10.755 1.00 0.00 H new ATOM 1115 N TRP A 73 1.124 -1.484 10.544 1.00 0.00 N ATOM 1116 CA TRP A 73 2.082 -2.244 9.750 1.00 0.00 C ATOM 1117 C TRP A 73 2.271 -3.646 10.318 1.00 0.00 C ATOM 1118 O TRP A 73 2.462 -4.607 9.574 1.00 0.00 O ATOM 1119 CB TRP A 73 3.426 -1.515 9.701 1.00 0.00 C ATOM 1120 CG TRP A 73 4.444 -2.202 8.841 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.207 -3.161 7.898 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.859 -1.985 8.848 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.389 -3.553 7.318 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.417 -2.845 7.883 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.708 -1.145 9.574 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.785 -2.890 7.628 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.066 -1.191 9.321 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.594 -2.057 8.354 1.00 0.00 C ATOM 0 H TRP A 73 1.546 -0.870 11.240 1.00 0.00 H new ATOM 0 HA TRP A 73 1.687 -2.333 8.738 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.269 -0.503 9.327 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.819 -1.424 10.714 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.233 -3.554 7.645 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.486 -4.257 6.586 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.310 -0.472 10.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.194 -3.558 6.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.732 -0.548 9.878 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.659 -2.068 8.178 1.00 0.00 H new ATOM 1139 N ASN A 74 2.215 -3.756 11.641 1.00 0.00 N ATOM 1140 CA ASN A 74 2.380 -5.042 12.309 1.00 0.00 C ATOM 1141 C ASN A 74 1.310 -6.031 11.857 1.00 0.00 C ATOM 1142 O ASN A 74 1.619 -7.145 11.434 1.00 0.00 O ATOM 1143 CB ASN A 74 2.317 -4.864 13.828 1.00 0.00 C ATOM 1144 CG ASN A 74 2.327 -6.188 14.566 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.826 -7.192 14.057 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.773 -6.196 15.773 1.00 0.00 N ATOM 0 H ASN A 74 2.057 -2.970 12.272 1.00 0.00 H new ATOM 0 HA ASN A 74 3.357 -5.441 12.037 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.164 -4.262 14.156 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.414 -4.312 14.089 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.749 -7.058 16.318 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.371 -5.340 16.155 1.00 0.00 H new ATOM 1153 N ALA A 75 0.051 -5.615 11.950 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.065 -6.463 11.548 1.00 0.00 C ATOM 1155 C ALA A 75 -0.722 -7.265 10.297 1.00 0.00 C ATOM 1156 O ALA A 75 -0.886 -8.486 10.265 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.309 -5.620 11.313 1.00 0.00 C ATOM 0 H ALA A 75 -0.222 -4.697 12.300 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.264 -7.168 12.356 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.135 -6.265 11.013 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.573 -5.096 12.232 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.112 -4.893 10.525 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.247 -6.573 9.268 1.00 0.00 N ATOM 1164 CA LEU A 76 0.118 -7.221 8.013 1.00 0.00 C ATOM 1165 C LEU A 76 0.794 -8.564 8.270 1.00 0.00 C ATOM 1166 O LEU A 76 0.349 -9.599 7.776 1.00 0.00 O ATOM 1167 CB LEU A 76 1.047 -6.317 7.201 1.00 0.00 C ATOM 1168 CG LEU A 76 0.375 -5.172 6.442 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.204 -5.671 5.127 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.710 -4.531 7.295 1.00 0.00 C ATOM 0 H LEU A 76 -0.105 -5.563 9.278 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.795 -7.398 7.445 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.789 -5.892 7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.586 -6.935 6.483 1.00 0.00 H new ATOM 0 HG LEU A 76 1.129 -4.417 6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.678 -4.843 4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.595 -6.083 4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.944 -6.446 5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.177 -3.718 6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.463 -5.278 7.548 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.268 -4.137 8.210 1.00 0.00 H new ATOM 1182 N GLY A 77 1.871 -8.539 9.050 1.00 0.00 N ATOM 1183 CA GLY A 77 2.590 -9.761 9.361 1.00 0.00 C ATOM 1184 C GLY A 77 3.548 -10.167 8.259 1.00 0.00 C ATOM 1185 O GLY A 77 4.340 -9.352 7.785 1.00 0.00 O ATOM 0 H GLY A 77 2.258 -7.695 9.472 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.145 -9.626 10.289 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.875 -10.566 9.531 1.00 0.00 H new ATOM 1189 N SER A 78 3.479 -11.430 7.852 1.00 0.00 N ATOM 1190 CA SER A 78 4.351 -11.944 6.803 1.00 0.00 C ATOM 1191 C SER A 78 3.774 -11.646 5.422 1.00 0.00 C ATOM 1192 O SER A 78 3.921 -12.439 4.491 1.00 0.00 O ATOM 1193 CB SER A 78 4.552 -13.451 6.970 1.00 0.00 C ATOM 1194 OG SER A 78 5.567 -13.930 6.104 1.00 0.00 O ATOM 0 H SER A 78 2.828 -12.117 8.233 1.00 0.00 H new ATOM 0 HA SER A 78 5.316 -11.444 6.890 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.817 -13.673 8.004 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.617 -13.971 6.762 1.00 0.00 H new ATOM 0 HG SER A 78 5.393 -13.618 5.191 1.00 0.00 H new ATOM 1200 N LEU A 79 3.117 -10.499 5.298 1.00 0.00 N ATOM 1201 CA LEU A 79 2.517 -10.094 4.031 1.00 0.00 C ATOM 1202 C LEU A 79 3.591 -9.737 3.009 1.00 0.00 C ATOM 1203 O LEU A 79 4.419 -8.852 3.226 1.00 0.00 O ATOM 1204 CB LEU A 79 1.582 -8.902 4.244 1.00 0.00 C ATOM 1205 CG LEU A 79 0.449 -8.748 3.230 1.00 0.00 C ATOM 1206 CD1 LEU A 79 1.002 -8.365 1.866 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.363 -10.032 3.137 1.00 0.00 C ATOM 0 H LEU A 79 2.986 -9.832 6.059 1.00 0.00 H new ATOM 0 HA LEU A 79 1.941 -10.935 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.144 -8.983 5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.180 -7.991 4.232 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.210 -7.949 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.181 -8.260 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.538 -7.419 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.684 -9.141 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.165 -9.903 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.285 -10.850 2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.791 -10.263 4.112 1.00 0.00 H new ATOM 1219 N PRO A 80 3.578 -10.439 1.866 1.00 0.00 N ATOM 1220 CA PRO A 80 4.543 -10.211 0.786 1.00 0.00 C ATOM 1221 C PRO A 80 4.322 -8.876 0.083 1.00 0.00 C ATOM 1222 O PRO A 80 3.296 -8.222 0.277 1.00 0.00 O ATOM 1223 CB PRO A 80 4.279 -11.372 -0.176 1.00 0.00 C ATOM 1224 CG PRO A 80 2.862 -11.759 0.077 1.00 0.00 C ATOM 1225 CD PRO A 80 2.620 -11.508 1.540 1.00 0.00 C ATOM 0 HA PRO A 80 5.567 -10.171 1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.428 -11.069 -1.212 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.957 -12.205 0.013 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.181 -11.171 -0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.693 -12.806 -0.173 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.592 -11.198 1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.798 -12.403 2.136 1.00 0.00 H new ATOM 1233 N LYS A 81 5.289 -8.476 -0.734 1.00 0.00 N ATOM 1234 CA LYS A 81 5.201 -7.219 -1.468 1.00 0.00 C ATOM 1235 C LYS A 81 4.102 -7.282 -2.525 1.00 0.00 C ATOM 1236 O LYS A 81 3.332 -6.337 -2.689 1.00 0.00 O ATOM 1237 CB LYS A 81 6.542 -6.895 -2.130 1.00 0.00 C ATOM 1238 CG LYS A 81 7.710 -6.871 -1.159 1.00 0.00 C ATOM 1239 CD LYS A 81 7.920 -5.485 -0.574 1.00 0.00 C ATOM 1240 CE LYS A 81 9.319 -5.330 0.003 1.00 0.00 C ATOM 1241 NZ LYS A 81 10.363 -5.359 -1.058 1.00 0.00 N ATOM 0 H LYS A 81 6.144 -9.005 -0.905 1.00 0.00 H new ATOM 0 HA LYS A 81 4.954 -6.430 -0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.742 -7.633 -2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.470 -5.925 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.530 -7.583 -0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.617 -7.192 -1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.759 -4.734 -1.348 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.181 -5.302 0.206 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.384 -4.390 0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.507 -6.130 0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.231 -4.909 -0.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.566 -6.345 -1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.023 -4.843 -1.894 1.00 0.00 H new ATOM 1255 N GLU A 82 4.036 -8.403 -3.237 1.00 0.00 N ATOM 1256 CA GLU A 82 3.031 -8.588 -4.277 1.00 0.00 C ATOM 1257 C GLU A 82 1.640 -8.239 -3.757 1.00 0.00 C ATOM 1258 O GLU A 82 0.918 -7.448 -4.365 1.00 0.00 O ATOM 1259 CB GLU A 82 3.050 -10.031 -4.785 1.00 0.00 C ATOM 1260 CG GLU A 82 2.836 -11.064 -3.691 1.00 0.00 C ATOM 1261 CD GLU A 82 3.514 -12.386 -3.996 1.00 0.00 C ATOM 1262 OE1 GLU A 82 3.473 -12.818 -5.166 1.00 0.00 O ATOM 1263 OE2 GLU A 82 4.086 -12.987 -3.062 1.00 0.00 O ATOM 0 H GLU A 82 4.666 -9.196 -3.113 1.00 0.00 H new ATOM 0 HA GLU A 82 3.271 -7.917 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.276 -10.151 -5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.006 -10.223 -5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.218 -10.673 -2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.767 -11.230 -3.558 1.00 0.00 H new ATOM 1270 N ALA A 83 1.270 -8.834 -2.628 1.00 0.00 N ATOM 1271 CA ALA A 83 -0.034 -8.585 -2.025 1.00 0.00 C ATOM 1272 C ALA A 83 -0.083 -7.208 -1.371 1.00 0.00 C ATOM 1273 O ALA A 83 -1.059 -6.474 -1.522 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.359 -9.667 -1.006 1.00 0.00 C ATOM 0 H ALA A 83 1.855 -9.492 -2.112 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.783 -8.609 -2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.335 -9.469 -0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.375 -10.639 -1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.400 -9.670 -0.224 1.00 0.00 H new ATOM 1280 N ALA A 84 0.976 -6.865 -0.646 1.00 0.00 N ATOM 1281 CA ALA A 84 1.054 -5.576 0.030 1.00 0.00 C ATOM 1282 C ALA A 84 0.680 -4.438 -0.915 1.00 0.00 C ATOM 1283 O ALA A 84 -0.159 -3.598 -0.589 1.00 0.00 O ATOM 1284 CB ALA A 84 2.450 -5.359 0.594 1.00 0.00 C ATOM 0 H ALA A 84 1.792 -7.462 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 84 0.339 -5.581 0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.493 -4.392 1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.681 -6.149 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.177 -5.379 -0.217 1.00 0.00 H new ATOM 1290 N ARG A 85 1.309 -4.416 -2.085 1.00 0.00 N ATOM 1291 CA ARG A 85 1.043 -3.380 -3.076 1.00 0.00 C ATOM 1292 C ARG A 85 -0.431 -3.369 -3.469 1.00 0.00 C ATOM 1293 O ARG A 85 -1.069 -2.317 -3.490 1.00 0.00 O ATOM 1294 CB ARG A 85 1.912 -3.596 -4.317 1.00 0.00 C ATOM 1295 CG ARG A 85 3.337 -3.092 -4.158 1.00 0.00 C ATOM 1296 CD ARG A 85 4.186 -3.430 -5.374 1.00 0.00 C ATOM 1297 NE ARG A 85 4.620 -4.825 -5.368 1.00 0.00 N ATOM 1298 CZ ARG A 85 5.235 -5.407 -6.391 1.00 0.00 C ATOM 1299 NH1 ARG A 85 5.488 -4.719 -7.495 1.00 0.00 N ATOM 1300 NH2 ARG A 85 5.600 -6.681 -6.309 1.00 0.00 N ATOM 0 H ARG A 85 2.006 -5.104 -2.370 1.00 0.00 H new ATOM 0 HA ARG A 85 1.290 -2.416 -2.632 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.936 -4.660 -4.553 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.450 -3.092 -5.166 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.328 -2.012 -4.008 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.783 -3.534 -3.267 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.615 -3.232 -6.281 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.060 -2.779 -5.399 1.00 0.00 H new ATOM 0 HE ARG A 85 4.441 -5.382 -4.533 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.210 -3.740 -7.561 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.961 -5.169 -8.279 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.408 -7.213 -5.460 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.072 -7.128 -7.095 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.964 -4.546 -3.780 1.00 0.00 N ATOM 1315 CA GLN A 86 -2.362 -4.671 -4.174 1.00 0.00 C ATOM 1316 C GLN A 86 -3.281 -4.063 -3.119 1.00 0.00 C ATOM 1317 O GLN A 86 -4.218 -3.335 -3.444 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.723 -6.141 -4.395 1.00 0.00 C ATOM 1319 CG GLN A 86 -4.200 -6.371 -4.668 1.00 0.00 C ATOM 1320 CD GLN A 86 -4.596 -6.004 -6.085 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -4.326 -6.746 -7.029 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -5.242 -4.854 -6.240 1.00 0.00 N ATOM 0 H GLN A 86 -0.449 -5.426 -3.767 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.500 -4.126 -5.108 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.143 -6.527 -5.233 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.431 -6.714 -3.515 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.440 -7.419 -4.488 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.791 -5.783 -3.966 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.445 -4.270 -5.429 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.535 -4.555 -7.170 1.00 0.00 H new ATOM 1331 N ASN A 87 -3.006 -4.367 -1.855 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.808 -3.852 -0.752 1.00 0.00 C ATOM 1333 C ASN A 87 -3.786 -2.326 -0.730 1.00 0.00 C ATOM 1334 O ASN A 87 -4.807 -1.684 -0.483 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.294 -4.400 0.580 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.695 -5.845 0.804 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -4.855 -6.142 1.090 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -2.734 -6.752 0.677 1.00 0.00 N ATOM 0 H ASN A 87 -2.233 -4.968 -1.569 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.837 -4.181 -0.899 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.207 -4.319 0.608 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.681 -3.788 1.395 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.944 -7.740 0.818 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.786 -6.461 0.439 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.617 -1.754 -0.991 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.461 -0.304 -1.000 1.00 0.00 C ATOM 1347 C TYR A 88 -3.310 0.329 -2.098 1.00 0.00 C ATOM 1348 O TYR A 88 -4.135 1.204 -1.834 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.991 0.071 -1.197 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.718 1.551 -1.050 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -1.106 2.450 -2.035 1.00 0.00 C ATOM 1352 CD2 TYR A 88 -0.072 2.049 0.075 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.858 3.803 -1.904 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.179 3.400 0.215 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.216 4.273 -0.778 1.00 0.00 C ATOM 1356 OH TYR A 88 0.032 5.620 -0.644 1.00 0.00 O ATOM 0 H TYR A 88 -1.763 -2.272 -1.199 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.801 0.078 -0.037 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.385 -0.475 -0.474 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.672 -0.252 -2.188 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.610 2.086 -2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.239 1.368 0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.165 4.489 -2.680 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.681 3.771 1.096 1.00 0.00 H new ATOM 0 HH TYR A 88 0.490 5.785 0.206 1.00 0.00 H new ATOM 1366 N VAL A 89 -3.103 -0.121 -3.331 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.850 0.399 -4.470 1.00 0.00 C ATOM 1368 C VAL A 89 -5.341 0.121 -4.322 1.00 0.00 C ATOM 1369 O VAL A 89 -6.176 0.967 -4.643 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.353 -0.213 -5.794 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.946 0.271 -6.111 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.401 -1.732 -5.729 1.00 0.00 C ATOM 0 H VAL A 89 -2.424 -0.845 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.685 1.476 -4.492 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.014 0.115 -6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.612 -0.172 -7.049 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.947 1.357 -6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.270 -0.025 -5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.047 -2.148 -6.672 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.764 -2.082 -4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.426 -2.056 -5.552 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.669 -1.071 -3.835 1.00 0.00 N ATOM 1383 CA ASP A 90 -7.061 -1.461 -3.643 1.00 0.00 C ATOM 1384 C ASP A 90 -7.823 -0.393 -2.865 1.00 0.00 C ATOM 1385 O ASP A 90 -9.007 -0.157 -3.109 1.00 0.00 O ATOM 1386 CB ASP A 90 -7.141 -2.800 -2.907 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.557 -3.336 -2.832 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -9.339 -3.081 -3.771 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -8.883 -4.012 -1.833 1.00 0.00 O ATOM 0 H ASP A 90 -4.990 -1.783 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.521 -1.567 -4.625 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.507 -3.528 -3.413 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.747 -2.681 -1.898 1.00 0.00 H new ATOM 1394 N LEU A 91 -7.137 0.249 -1.926 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.749 1.292 -1.110 1.00 0.00 C ATOM 1396 C LEU A 91 -7.910 2.583 -1.907 1.00 0.00 C ATOM 1397 O LEU A 91 -9.023 3.071 -2.101 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.904 1.552 0.139 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.442 2.608 1.105 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.402 3.987 0.466 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.858 2.260 1.540 1.00 0.00 C ATOM 0 H LEU A 91 -6.157 0.066 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.738 0.948 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.796 0.613 0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.906 1.854 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.805 2.622 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.789 4.725 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.374 4.238 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.015 3.988 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.225 3.022 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.507 2.217 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.857 1.291 2.039 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.790 3.131 -2.368 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.806 4.363 -3.148 1.00 0.00 C ATOM 1415 C VAL A 92 -7.921 4.341 -4.187 1.00 0.00 C ATOM 1416 O VAL A 92 -8.527 5.370 -4.485 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.460 4.595 -3.859 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.521 5.846 -4.723 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.331 4.692 -2.845 1.00 0.00 C ATOM 0 H VAL A 92 -5.860 2.741 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.983 5.179 -2.447 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.261 3.743 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.561 5.994 -5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.302 5.732 -5.474 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.743 6.710 -4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.387 4.856 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.521 5.524 -2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.274 3.765 -2.274 1.00 0.00 H new ATOM 1429 N SER A 93 -8.188 3.160 -4.736 1.00 0.00 N ATOM 1430 CA SER A 93 -9.228 3.003 -5.746 1.00 0.00 C ATOM 1431 C SER A 93 -10.610 3.237 -5.142 1.00 0.00 C ATOM 1432 O SER A 93 -11.500 3.784 -5.794 1.00 0.00 O ATOM 1433 CB SER A 93 -9.160 1.607 -6.367 1.00 0.00 C ATOM 1434 OG SER A 93 -10.005 1.511 -7.500 1.00 0.00 O ATOM 0 H SER A 93 -7.698 2.298 -4.498 1.00 0.00 H new ATOM 0 HA SER A 93 -9.059 3.747 -6.525 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.133 1.384 -6.656 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.452 0.862 -5.627 1.00 0.00 H new ATOM 0 HG SER A 93 -9.942 0.610 -7.879 1.00 0.00 H new ATOM 1440 N SER A 94 -10.782 2.819 -3.892 1.00 0.00 N ATOM 1441 CA SER A 94 -12.056 2.979 -3.201 1.00 0.00 C ATOM 1442 C SER A 94 -12.477 4.444 -3.170 1.00 0.00 C ATOM 1443 O SER A 94 -13.641 4.773 -3.405 1.00 0.00 O ATOM 1444 CB SER A 94 -11.958 2.434 -1.774 1.00 0.00 C ATOM 1445 OG SER A 94 -11.544 3.445 -0.871 1.00 0.00 O ATOM 0 H SER A 94 -10.055 2.367 -3.337 1.00 0.00 H new ATOM 0 HA SER A 94 -12.811 2.414 -3.747 1.00 0.00 H new ATOM 0 HB2 SER A 94 -12.926 2.039 -1.465 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.251 1.605 -1.746 1.00 0.00 H new ATOM 0 HG SER A 94 -10.594 3.639 -1.011 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.523 5.322 -2.879 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.793 6.754 -2.817 1.00 0.00 C ATOM 1453 C LEU A 95 -12.188 7.293 -4.188 1.00 0.00 C ATOM 1454 O LEU A 95 -13.043 8.173 -4.298 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.565 7.503 -2.297 1.00 0.00 C ATOM 1456 CG LEU A 95 -10.032 7.053 -0.936 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.534 7.298 -0.843 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -10.762 7.773 0.188 1.00 0.00 C ATOM 0 H LEU A 95 -10.555 5.067 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.625 6.912 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.765 7.401 -3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.809 8.564 -2.237 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.213 5.983 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.172 6.972 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.024 6.736 -1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.331 8.362 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.369 7.440 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.613 8.848 0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.827 7.547 0.133 1.00 0.00 H new