USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 710 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 53 CYS SG : rot 45:sc= -1.13! USER MOD Set 1.2: A 62 HIS : no HE2:sc= -6.36! C(o=-7.5!,f=-22!) USER MOD Set 2.1: A 36 ASN : amide:sc= -5.61! C(o=-11!,f=-9.7!) USER MOD Set 2.2: A 56 HIS : no HD1:sc= -5.82! C(o=-11!,f=-8.7!) USER MOD Set 3.1: A 17 HIS : no HD1:sc= -2.96! K(o=-13!,f=-7.2) USER MOD Set 3.2: A 107 GLN : amide:sc= -10.3! C(o=-13!,f=-11!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.721 K(o=-0.72,f=-2.7) USER MOD Single : A 33 SER OG : rot -80:sc= -3.12! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.186 USER MOD Single : A 38 LYS NZ :NH3+ -166:sc= -0.0432 (180deg=-0.379) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 70:sc= -0.968 USER MOD Single : A 67 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00619) USER MOD Single : A 69 LYS NZ :NH3+ 151:sc= -0.0612 (180deg=-0.615) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.164 USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0591) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 86 GLN : amide:sc= -0.725 K(o=-0.72,f=-0.19) USER MOD Single : A 90 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.44) USER MOD Single : A 91 TYR OH : rot -17:sc= -0.385 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 157:sc= -0.625 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 29:sc= 0.511 USER MOD Single : A 106 CYS SG : rot 173:sc= -19.1! USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 209 N TRP A 15 2.606 -8.124 -1.523 1.00 0.00 N ATOM 210 CA TRP A 15 2.500 -6.680 -1.344 1.00 0.00 C ATOM 211 C TRP A 15 1.598 -6.333 -0.148 1.00 0.00 C ATOM 212 O TRP A 15 1.211 -5.186 0.039 1.00 0.00 O ATOM 213 CB TRP A 15 1.981 -5.988 -2.623 1.00 0.00 C ATOM 214 CG TRP A 15 0.902 -6.797 -3.340 1.00 0.00 C ATOM 215 CD1 TRP A 15 0.157 -7.839 -2.803 1.00 0.00 C ATOM 216 CD2 TRP A 15 0.462 -6.623 -4.690 1.00 0.00 C ATOM 217 NE1 TRP A 15 -0.716 -8.313 -3.740 1.00 0.00 N ATOM 218 CE2 TRP A 15 -0.562 -7.592 -4.925 1.00 0.00 C ATOM 219 CE3 TRP A 15 0.843 -5.748 -5.696 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -1.190 -7.669 -6.161 1.00 0.00 C ATOM 221 CZ3 TRP A 15 0.210 -5.817 -6.963 1.00 0.00 C ATOM 222 CH2 TRP A 15 -0.809 -6.778 -7.195 1.00 0.00 C ATOM 0 HA TRP A 15 3.504 -6.307 -1.139 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.581 -5.008 -2.363 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.816 -5.821 -3.304 1.00 0.00 H new ATOM 0 HD1 TRP A 15 0.254 -8.217 -1.796 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -1.378 -9.076 -3.596 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.618 -5.018 -5.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -1.963 -8.403 -6.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 0.503 -5.139 -7.751 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.293 -6.830 -8.159 1.00 0.00 H new ATOM 233 N PHE A 16 1.286 -7.379 0.649 1.00 0.00 N ATOM 234 CA PHE A 16 0.460 -7.123 1.809 1.00 0.00 C ATOM 235 C PHE A 16 0.971 -7.893 3.021 1.00 0.00 C ATOM 236 O PHE A 16 0.489 -8.970 3.351 1.00 0.00 O ATOM 237 CB PHE A 16 -0.973 -7.520 1.518 1.00 0.00 C ATOM 238 CG PHE A 16 -1.865 -7.057 2.634 1.00 0.00 C ATOM 239 CD1 PHE A 16 -2.218 -5.689 2.755 1.00 0.00 C ATOM 240 CD2 PHE A 16 -2.305 -7.973 3.622 1.00 0.00 C ATOM 241 CE1 PHE A 16 -2.993 -5.244 3.851 1.00 0.00 C ATOM 242 CE2 PHE A 16 -3.081 -7.527 4.717 1.00 0.00 C ATOM 243 CZ PHE A 16 -3.424 -6.163 4.830 1.00 0.00 C ATOM 0 H PHE A 16 1.581 -8.346 0.510 1.00 0.00 H new ATOM 0 HA PHE A 16 0.505 -6.057 2.033 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.297 -7.081 0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.045 -8.602 1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.893 -4.983 2.006 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.046 -9.018 3.538 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.255 -4.200 3.938 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.411 -8.231 5.467 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.017 -5.823 5.666 1.00 0.00 H new ATOM 253 N HIS A 17 1.970 -7.268 3.662 1.00 0.00 N ATOM 254 CA HIS A 17 2.509 -7.884 4.855 1.00 0.00 C ATOM 255 C HIS A 17 2.191 -6.987 6.046 1.00 0.00 C ATOM 256 O HIS A 17 2.631 -5.847 6.138 1.00 0.00 O ATOM 257 CB HIS A 17 4.013 -8.074 4.725 1.00 0.00 C ATOM 258 CG HIS A 17 4.307 -9.453 4.186 1.00 0.00 C ATOM 259 ND1 HIS A 17 5.001 -10.394 4.864 1.00 0.00 N ATOM 260 CD2 HIS A 17 3.930 -9.996 2.947 1.00 0.00 C ATOM 261 CE1 HIS A 17 5.049 -11.476 4.070 1.00 0.00 C ATOM 262 NE2 HIS A 17 4.410 -11.261 2.907 1.00 0.00 N ATOM 0 H HIS A 17 2.394 -6.383 3.384 1.00 0.00 H new ATOM 0 HA HIS A 17 2.059 -8.866 4.997 1.00 0.00 H new ATOM 0 HB2 HIS A 17 4.429 -7.317 4.060 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.491 -7.943 5.696 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.364 -9.499 2.173 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.539 -12.402 4.333 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.306 -11.925 2.140 1.00 0.00 H new ATOM 353 N GLU A 23 10.571 0.532 6.874 1.00 0.00 N ATOM 354 CA GLU A 23 11.929 0.572 6.413 1.00 0.00 C ATOM 355 C GLU A 23 12.270 -0.806 5.869 1.00 0.00 C ATOM 356 O GLU A 23 12.858 -0.976 4.810 1.00 0.00 O ATOM 357 CB GLU A 23 12.803 0.921 7.610 1.00 0.00 C ATOM 358 CG GLU A 23 13.304 -0.304 8.367 1.00 0.00 C ATOM 359 CD GLU A 23 14.315 0.122 9.434 1.00 0.00 C ATOM 360 OE1 GLU A 23 13.891 0.523 10.517 1.00 0.00 O ATOM 361 OE2 GLU A 23 15.514 0.046 9.171 1.00 0.00 O ATOM 0 HA GLU A 23 12.084 1.311 5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.659 1.504 7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.237 1.555 8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.466 -0.822 8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.767 -1.006 7.674 1.00 0.00 H new ATOM 368 N GLU A 24 11.844 -1.766 6.699 1.00 0.00 N ATOM 369 CA GLU A 24 12.055 -3.154 6.346 1.00 0.00 C ATOM 370 C GLU A 24 11.493 -3.429 4.945 1.00 0.00 C ATOM 371 O GLU A 24 12.047 -4.195 4.167 1.00 0.00 O ATOM 372 CB GLU A 24 11.362 -4.029 7.383 1.00 0.00 C ATOM 373 CG GLU A 24 11.944 -3.809 8.778 1.00 0.00 C ATOM 374 CD GLU A 24 13.200 -4.664 8.958 1.00 0.00 C ATOM 375 OE1 GLU A 24 13.868 -4.942 7.964 1.00 0.00 O ATOM 376 OE2 GLU A 24 13.495 -5.043 10.090 1.00 0.00 O ATOM 0 H GLU A 24 11.368 -1.606 7.587 1.00 0.00 H new ATOM 0 HA GLU A 24 13.121 -3.380 6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.295 -3.807 7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.467 -5.078 7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.187 -2.756 8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.205 -4.069 9.535 1.00 0.00 H new ATOM 383 N SER A 25 10.367 -2.741 4.677 1.00 0.00 N ATOM 384 CA SER A 25 9.726 -2.922 3.383 1.00 0.00 C ATOM 385 C SER A 25 10.339 -1.993 2.324 1.00 0.00 C ATOM 386 O SER A 25 10.315 -2.279 1.133 1.00 0.00 O ATOM 387 CB SER A 25 8.236 -2.648 3.531 1.00 0.00 C ATOM 388 OG SER A 25 7.622 -3.672 4.265 1.00 0.00 O ATOM 0 H SER A 25 9.908 -2.087 5.312 1.00 0.00 H new ATOM 0 HA SER A 25 9.883 -3.947 3.048 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.083 -1.692 4.031 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.774 -2.570 2.547 1.00 0.00 H new ATOM 0 HG SER A 25 6.665 -3.482 4.354 1.00 0.00 H new ATOM 394 N GLU A 26 10.880 -0.868 2.828 1.00 0.00 N ATOM 395 CA GLU A 26 11.482 0.082 1.925 1.00 0.00 C ATOM 396 C GLU A 26 12.860 -0.421 1.469 1.00 0.00 C ATOM 397 O GLU A 26 13.370 -0.039 0.422 1.00 0.00 O ATOM 398 CB GLU A 26 11.573 1.414 2.662 1.00 0.00 C ATOM 399 CG GLU A 26 12.923 2.088 2.464 1.00 0.00 C ATOM 400 CD GLU A 26 13.019 3.336 3.344 1.00 0.00 C ATOM 401 OE1 GLU A 26 12.601 3.273 4.499 1.00 0.00 O ATOM 402 OE2 GLU A 26 13.511 4.356 2.864 1.00 0.00 O ATOM 0 H GLU A 26 10.905 -0.617 3.816 1.00 0.00 H new ATOM 0 HA GLU A 26 10.883 0.207 1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.783 2.077 2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.402 1.251 3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.725 1.394 2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.052 2.361 1.417 1.00 0.00 H new ATOM 409 N GLN A 27 13.420 -1.302 2.319 1.00 0.00 N ATOM 410 CA GLN A 27 14.708 -1.875 1.973 1.00 0.00 C ATOM 411 C GLN A 27 14.433 -3.040 1.025 1.00 0.00 C ATOM 412 O GLN A 27 15.226 -3.391 0.165 1.00 0.00 O ATOM 413 CB GLN A 27 15.439 -2.344 3.229 1.00 0.00 C ATOM 414 CG GLN A 27 14.624 -3.377 4.005 1.00 0.00 C ATOM 415 CD GLN A 27 15.495 -4.022 5.085 1.00 0.00 C ATOM 416 OE1 GLN A 27 15.450 -3.660 6.254 1.00 0.00 O ATOM 417 NE2 GLN A 27 16.287 -4.999 4.608 1.00 0.00 N ATOM 0 H GLN A 27 13.017 -1.613 3.203 1.00 0.00 H new ATOM 0 HA GLN A 27 15.351 -1.138 1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 27 16.401 -2.774 2.951 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.646 -1.488 3.871 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.757 -2.900 4.462 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.247 -4.141 3.325 1.00 0.00 H new ATOM 0 HE21 GLN A 27 16.262 -5.238 3.617 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.913 -5.501 5.238 1.00 0.00 H new ATOM 426 N ILE A 28 13.236 -3.607 1.255 1.00 0.00 N ATOM 427 CA ILE A 28 12.795 -4.675 0.429 1.00 0.00 C ATOM 428 C ILE A 28 12.551 -4.146 -0.967 1.00 0.00 C ATOM 429 O ILE A 28 12.859 -4.769 -1.974 1.00 0.00 O ATOM 430 CB ILE A 28 11.505 -5.160 1.048 1.00 0.00 C ATOM 431 CG1 ILE A 28 11.767 -6.129 2.179 1.00 0.00 C ATOM 432 CG2 ILE A 28 10.595 -5.793 0.017 1.00 0.00 C ATOM 433 CD1 ILE A 28 10.509 -6.291 3.021 1.00 0.00 C ATOM 0 H ILE A 28 12.591 -3.331 1.995 1.00 0.00 H new ATOM 0 HA ILE A 28 13.524 -5.482 0.358 1.00 0.00 H new ATOM 0 HB ILE A 28 10.999 -4.284 1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.075 -7.095 1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.586 -5.765 2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.677 -6.130 0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.353 -5.061 -0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.099 -6.645 -0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.703 -6.990 3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.221 -5.324 3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.701 -6.675 2.398 1.00 0.00 H new ATOM 445 N VAL A 29 11.950 -2.961 -0.955 1.00 0.00 N ATOM 446 CA VAL A 29 11.701 -2.328 -2.219 1.00 0.00 C ATOM 447 C VAL A 29 13.032 -2.036 -2.891 1.00 0.00 C ATOM 448 O VAL A 29 13.159 -2.037 -4.107 1.00 0.00 O ATOM 449 CB VAL A 29 10.919 -1.043 -1.958 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.053 -0.054 -3.115 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.449 -1.359 -1.678 1.00 0.00 C ATOM 0 H VAL A 29 11.645 -2.451 -0.126 1.00 0.00 H new ATOM 0 HA VAL A 29 11.119 -2.971 -2.879 1.00 0.00 H new ATOM 0 HB VAL A 29 11.347 -0.568 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.482 0.847 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.103 0.206 -3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.670 -0.509 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.906 -0.432 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.016 -1.868 -2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.376 -2.002 -0.801 1.00 0.00 H new ATOM 461 N LEU A 30 14.009 -1.804 -2.018 1.00 0.00 N ATOM 462 CA LEU A 30 15.313 -1.525 -2.505 1.00 0.00 C ATOM 463 C LEU A 30 15.754 -2.702 -3.373 1.00 0.00 C ATOM 464 O LEU A 30 16.416 -2.553 -4.394 1.00 0.00 O ATOM 465 CB LEU A 30 16.188 -1.356 -1.269 1.00 0.00 C ATOM 466 CG LEU A 30 17.191 -2.483 -1.095 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.401 -2.276 -1.993 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.619 -2.593 0.354 1.00 0.00 C ATOM 0 H LEU A 30 13.907 -1.808 -1.003 1.00 0.00 H new ATOM 0 HA LEU A 30 15.371 -0.627 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.722 -0.408 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.553 -1.302 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 30 16.708 -3.416 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 30 19.105 -3.096 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.081 -2.250 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 30 18.886 -1.333 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.338 -3.406 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.080 -1.657 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.747 -2.796 0.976 1.00 0.00 H new ATOM 480 N ILE A 31 15.327 -3.884 -2.879 1.00 0.00 N ATOM 481 CA ILE A 31 15.654 -5.087 -3.582 1.00 0.00 C ATOM 482 C ILE A 31 15.088 -4.975 -4.964 1.00 0.00 C ATOM 483 O ILE A 31 15.774 -4.929 -5.978 1.00 0.00 O ATOM 484 CB ILE A 31 14.996 -6.297 -2.922 1.00 0.00 C ATOM 485 CG1 ILE A 31 14.820 -6.143 -1.425 1.00 0.00 C ATOM 486 CG2 ILE A 31 15.778 -7.530 -3.243 1.00 0.00 C ATOM 487 CD1 ILE A 31 15.903 -6.883 -0.636 1.00 0.00 C ATOM 0 H ILE A 31 14.778 -4.004 -2.028 1.00 0.00 H new ATOM 0 HA ILE A 31 16.736 -5.215 -3.583 1.00 0.00 H new ATOM 0 HB ILE A 31 13.989 -6.380 -3.332 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.843 -5.085 -1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.840 -6.521 -1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 31 15.307 -8.393 -2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.802 -7.675 -4.323 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.796 -7.423 -2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.735 -6.743 0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.864 -7.946 -0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 31 16.883 -6.487 -0.904 1.00 0.00 H new ATOM 499 N GLY A 32 13.760 -4.938 -4.896 1.00 0.00 N ATOM 500 CA GLY A 32 13.007 -4.866 -6.116 1.00 0.00 C ATOM 501 C GLY A 32 12.789 -3.416 -6.550 1.00 0.00 C ATOM 502 O GLY A 32 13.713 -2.613 -6.599 1.00 0.00 O ATOM 0 H GLY A 32 13.211 -4.956 -4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.532 -5.408 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.043 -5.356 -5.980 1.00 0.00 H new ATOM 506 N SER A 33 11.513 -3.143 -6.866 1.00 0.00 N ATOM 507 CA SER A 33 11.178 -1.796 -7.297 1.00 0.00 C ATOM 508 C SER A 33 12.059 -1.410 -8.484 1.00 0.00 C ATOM 509 O SER A 33 12.481 -2.255 -9.263 1.00 0.00 O ATOM 510 CB SER A 33 11.378 -0.827 -6.140 1.00 0.00 C ATOM 511 OG SER A 33 12.745 -0.647 -5.877 1.00 0.00 O ATOM 0 H SER A 33 10.738 -3.806 -6.832 1.00 0.00 H new ATOM 0 HA SER A 33 10.134 -1.754 -7.608 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.919 0.132 -6.378 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.878 -1.207 -5.249 1.00 0.00 H new ATOM 0 HG SER A 33 13.079 -1.403 -5.350 1.00 0.00 H new ATOM 517 N LYS A 34 12.295 -0.076 -8.569 1.00 0.00 N ATOM 518 CA LYS A 34 13.141 0.425 -9.649 1.00 0.00 C ATOM 519 C LYS A 34 12.318 0.694 -10.892 1.00 0.00 C ATOM 520 O LYS A 34 12.308 1.776 -11.465 1.00 0.00 O ATOM 521 CB LYS A 34 14.174 -0.632 -10.000 1.00 0.00 C ATOM 522 CG LYS A 34 15.433 -0.015 -10.587 1.00 0.00 C ATOM 523 CD LYS A 34 16.299 0.642 -9.511 1.00 0.00 C ATOM 524 CE LYS A 34 17.583 1.226 -10.103 1.00 0.00 C ATOM 525 NZ LYS A 34 18.471 1.764 -9.080 1.00 0.00 N ATOM 0 H LYS A 34 11.927 0.630 -7.932 1.00 0.00 H new ATOM 0 HA LYS A 34 13.615 1.348 -9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.430 -1.201 -9.106 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.746 -1.336 -10.714 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.011 -0.785 -11.098 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.158 0.728 -11.336 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.732 1.432 -9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.551 -0.093 -8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.106 0.452 -10.664 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.328 2.015 -10.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.326 2.148 -9.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.983 2.522 -8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.738 1.007 -8.419 1.00 0.00 H new ATOM 539 N THR A 35 11.646 -0.399 -11.254 1.00 0.00 N ATOM 540 CA THR A 35 10.826 -0.407 -12.451 1.00 0.00 C ATOM 541 C THR A 35 9.780 0.714 -12.499 1.00 0.00 C ATOM 542 O THR A 35 9.009 0.829 -13.444 1.00 0.00 O ATOM 543 CB THR A 35 10.148 -1.763 -12.524 1.00 0.00 C ATOM 544 OG1 THR A 35 10.731 -2.645 -11.593 1.00 0.00 O ATOM 545 CG2 THR A 35 10.256 -2.361 -13.915 1.00 0.00 C ATOM 0 H THR A 35 11.657 -1.278 -10.737 1.00 0.00 H new ATOM 0 HA THR A 35 11.474 -0.226 -13.309 1.00 0.00 H new ATOM 0 HB THR A 35 9.093 -1.620 -12.289 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.287 -3.517 -11.646 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.760 -3.332 -13.933 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.779 -1.696 -14.635 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.307 -2.485 -14.177 1.00 0.00 H new ATOM 553 N ASN A 36 9.803 1.514 -11.442 1.00 0.00 N ATOM 554 CA ASN A 36 8.865 2.618 -11.387 1.00 0.00 C ATOM 555 C ASN A 36 7.446 2.071 -11.503 1.00 0.00 C ATOM 556 O ASN A 36 6.972 1.710 -12.573 1.00 0.00 O ATOM 557 CB ASN A 36 9.164 3.592 -12.525 1.00 0.00 C ATOM 558 CG ASN A 36 7.965 4.514 -12.755 1.00 0.00 C ATOM 559 OD1 ASN A 36 6.881 4.082 -13.127 1.00 0.00 O ATOM 560 ND2 ASN A 36 8.241 5.807 -12.512 1.00 0.00 N ATOM 0 H ASN A 36 10.433 1.425 -10.645 1.00 0.00 H new ATOM 0 HA ASN A 36 8.962 3.150 -10.440 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.047 4.184 -12.285 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.389 3.040 -13.438 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.517 6.515 -12.635 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.174 6.080 -12.204 1.00 0.00 H new ATOM 567 N GLY A 37 6.813 2.041 -10.324 1.00 0.00 N ATOM 568 CA GLY A 37 5.450 1.536 -10.269 1.00 0.00 C ATOM 569 C GLY A 37 5.320 0.362 -9.291 1.00 0.00 C ATOM 570 O GLY A 37 4.261 -0.240 -9.156 1.00 0.00 O ATOM 0 H GLY A 37 7.207 2.348 -9.435 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.777 2.338 -9.967 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.139 1.217 -11.264 1.00 0.00 H new ATOM 574 N LYS A 38 6.455 0.072 -8.623 1.00 0.00 N ATOM 575 CA LYS A 38 6.426 -1.014 -7.680 1.00 0.00 C ATOM 576 C LYS A 38 5.779 -0.506 -6.411 1.00 0.00 C ATOM 577 O LYS A 38 5.901 0.655 -6.058 1.00 0.00 O ATOM 578 CB LYS A 38 7.843 -1.479 -7.415 1.00 0.00 C ATOM 579 CG LYS A 38 7.905 -2.977 -7.149 1.00 0.00 C ATOM 580 CD LYS A 38 8.432 -3.729 -8.361 1.00 0.00 C ATOM 581 CE LYS A 38 8.419 -5.240 -8.138 1.00 0.00 C ATOM 582 NZ LYS A 38 9.075 -5.968 -9.218 1.00 0.00 N ATOM 0 H LYS A 38 7.347 0.556 -8.723 1.00 0.00 H new ATOM 0 HA LYS A 38 5.857 -1.859 -8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.472 -1.235 -8.271 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.248 -0.940 -6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.548 -3.170 -6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.911 -3.345 -6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.825 -3.485 -9.233 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.449 -3.402 -8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.915 -5.469 -7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.388 -5.582 -8.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.839 -6.978 -9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.750 -5.598 -10.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.105 -5.847 -9.142 1.00 0.00 H new ATOM 596 N PHE A 39 5.099 -1.437 -5.739 1.00 0.00 N ATOM 597 CA PHE A 39 4.424 -0.993 -4.525 1.00 0.00 C ATOM 598 C PHE A 39 4.088 -2.147 -3.586 1.00 0.00 C ATOM 599 O PHE A 39 3.798 -3.261 -3.990 1.00 0.00 O ATOM 600 CB PHE A 39 3.149 -0.240 -4.912 1.00 0.00 C ATOM 601 CG PHE A 39 2.027 -1.175 -5.266 1.00 0.00 C ATOM 602 CD1 PHE A 39 1.955 -1.765 -6.549 1.00 0.00 C ATOM 603 CD2 PHE A 39 1.017 -1.452 -4.316 1.00 0.00 C ATOM 604 CE1 PHE A 39 0.879 -2.620 -6.881 1.00 0.00 C ATOM 605 CE2 PHE A 39 -0.059 -2.306 -4.646 1.00 0.00 C ATOM 606 CZ PHE A 39 -0.128 -2.890 -5.929 1.00 0.00 C ATOM 0 H PHE A 39 5.004 -2.422 -5.987 1.00 0.00 H new ATOM 0 HA PHE A 39 5.105 -0.337 -3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.841 0.399 -4.085 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.357 0.413 -5.759 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.725 -1.562 -7.278 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.068 -1.008 -3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.827 -3.067 -7.863 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.829 -2.512 -3.917 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.950 -3.543 -6.182 1.00 0.00 H new ATOM 616 N LEU A 40 4.118 -1.763 -2.302 1.00 0.00 N ATOM 617 CA LEU A 40 3.795 -2.722 -1.268 1.00 0.00 C ATOM 618 C LEU A 40 3.066 -1.984 -0.144 1.00 0.00 C ATOM 619 O LEU A 40 3.563 -1.023 0.429 1.00 0.00 O ATOM 620 CB LEU A 40 5.073 -3.382 -0.757 1.00 0.00 C ATOM 621 CG LEU A 40 5.829 -2.476 0.214 1.00 0.00 C ATOM 622 CD1 LEU A 40 5.189 -2.516 1.605 1.00 0.00 C ATOM 623 CD2 LEU A 40 7.295 -2.900 0.294 1.00 0.00 C ATOM 0 H LEU A 40 4.355 -0.827 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 40 3.151 -3.509 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.824 -4.320 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.717 -3.629 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 40 5.776 -1.453 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.744 -1.864 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.155 -2.176 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.212 -3.537 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.825 -2.248 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.357 -3.930 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.750 -2.824 -0.694 1.00 0.00 H new ATOM 635 N ILE A 41 1.850 -2.491 0.114 1.00 0.00 N ATOM 636 CA ILE A 41 1.046 -1.877 1.157 1.00 0.00 C ATOM 637 C ILE A 41 1.337 -2.560 2.493 1.00 0.00 C ATOM 638 O ILE A 41 1.775 -3.703 2.552 1.00 0.00 O ATOM 639 CB ILE A 41 -0.426 -2.019 0.790 1.00 0.00 C ATOM 640 CG1 ILE A 41 -1.314 -1.481 1.911 1.00 0.00 C ATOM 641 CG2 ILE A 41 -0.757 -3.481 0.507 1.00 0.00 C ATOM 642 CD1 ILE A 41 -1.021 -0.008 2.201 1.00 0.00 C ATOM 0 H ILE A 41 1.426 -3.286 -0.364 1.00 0.00 H new ATOM 0 HA ILE A 41 1.290 -0.819 1.250 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.617 -1.434 -0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.362 -1.597 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.157 -2.069 2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.811 -3.571 0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.146 -3.839 -0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.551 -4.079 1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.671 0.341 3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.020 0.103 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.203 0.583 1.303 1.00 0.00 H new ATOM 654 N ARG A 42 1.066 -1.781 3.557 1.00 0.00 N ATOM 655 CA ARG A 42 1.300 -2.319 4.888 1.00 0.00 C ATOM 656 C ARG A 42 0.127 -1.967 5.803 1.00 0.00 C ATOM 657 O ARG A 42 -0.531 -0.946 5.647 1.00 0.00 O ATOM 658 CB ARG A 42 2.598 -1.744 5.445 1.00 0.00 C ATOM 659 CG ARG A 42 2.944 -2.358 6.800 1.00 0.00 C ATOM 660 CD ARG A 42 4.177 -1.698 7.414 1.00 0.00 C ATOM 661 NE ARG A 42 3.813 -0.979 8.621 1.00 0.00 N ATOM 662 CZ ARG A 42 3.333 -1.676 9.668 1.00 0.00 C ATOM 663 NH1 ARG A 42 3.190 -2.996 9.582 1.00 0.00 N ATOM 664 NH2 ARG A 42 3.001 -1.043 10.790 1.00 0.00 N ATOM 0 H ARG A 42 0.704 -0.828 3.518 1.00 0.00 H new ATOM 0 HA ARG A 42 1.386 -3.404 4.834 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.410 -1.929 4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.504 -0.663 5.547 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.097 -2.250 7.477 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.123 -3.427 6.682 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.926 -2.455 7.645 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.627 -1.013 6.696 1.00 0.00 H new ATOM 0 HE ARG A 42 3.919 0.034 8.675 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.444 -3.482 8.722 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.826 -3.522 10.376 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.110 -0.031 10.856 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.637 -1.570 11.584 1.00 0.00 H new ATOM 678 N ALA A 43 -0.084 -2.886 6.766 1.00 0.00 N ATOM 679 CA ALA A 43 -1.170 -2.668 7.707 1.00 0.00 C ATOM 680 C ALA A 43 -0.621 -2.635 9.134 1.00 0.00 C ATOM 681 O ALA A 43 0.486 -3.079 9.414 1.00 0.00 O ATOM 682 CB ALA A 43 -2.201 -3.784 7.560 1.00 0.00 C ATOM 0 H ALA A 43 0.458 -3.740 6.901 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.649 -1.712 7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.016 -3.622 8.265 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.595 -3.784 6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.729 -4.745 7.766 1.00 0.00 H new ATOM 770 N TYR A 50 -2.784 2.327 8.070 1.00 0.00 N ATOM 771 CA TYR A 50 -2.151 1.709 6.916 1.00 0.00 C ATOM 772 C TYR A 50 -1.354 2.774 6.166 1.00 0.00 C ATOM 773 O TYR A 50 -1.489 3.966 6.408 1.00 0.00 O ATOM 774 CB TYR A 50 -3.216 1.110 5.995 1.00 0.00 C ATOM 775 CG TYR A 50 -4.120 0.158 6.723 1.00 0.00 C ATOM 776 CD1 TYR A 50 -5.185 0.649 7.517 1.00 0.00 C ATOM 777 CD2 TYR A 50 -3.927 -1.241 6.612 1.00 0.00 C ATOM 778 CE1 TYR A 50 -6.047 -0.247 8.190 1.00 0.00 C ATOM 779 CE2 TYR A 50 -4.789 -2.137 7.285 1.00 0.00 C ATOM 780 CZ TYR A 50 -5.849 -1.639 8.074 1.00 0.00 C ATOM 781 OH TYR A 50 -6.690 -2.513 8.731 1.00 0.00 O ATOM 0 HA TYR A 50 -1.485 0.910 7.243 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.811 1.913 5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.730 0.589 5.170 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.340 1.714 7.609 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.117 -1.625 6.010 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.858 0.134 8.793 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.637 -3.202 7.196 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.415 -3.435 8.544 1.00 0.00 H new ATOM 791 N ALA A 51 -0.516 2.265 5.247 1.00 0.00 N ATOM 792 CA ALA A 51 0.280 3.190 4.459 1.00 0.00 C ATOM 793 C ALA A 51 0.817 2.480 3.217 1.00 0.00 C ATOM 794 O ALA A 51 1.489 1.457 3.284 1.00 0.00 O ATOM 795 CB ALA A 51 1.423 3.757 5.299 1.00 0.00 C ATOM 0 H ALA A 51 -0.382 1.274 5.046 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.348 4.022 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.010 4.448 4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.014 4.285 6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.061 2.943 5.642 1.00 0.00 H new ATOM 801 N LEU A 52 0.460 3.110 2.087 1.00 0.00 N ATOM 802 CA LEU A 52 0.895 2.586 0.804 1.00 0.00 C ATOM 803 C LEU A 52 2.349 2.991 0.580 1.00 0.00 C ATOM 804 O LEU A 52 2.707 4.150 0.662 1.00 0.00 O ATOM 805 CB LEU A 52 -0.010 3.169 -0.284 1.00 0.00 C ATOM 806 CG LEU A 52 0.727 3.435 -1.599 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.150 2.119 -2.255 1.00 0.00 C ATOM 808 CD2 LEU A 52 -0.181 4.218 -2.541 1.00 0.00 C ATOM 0 H LEU A 52 -0.110 3.955 2.043 1.00 0.00 H new ATOM 0 HA LEU A 52 0.828 1.498 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.835 2.481 -0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.447 4.101 0.076 1.00 0.00 H new ATOM 0 HG LEU A 52 1.624 4.018 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.672 2.329 -3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.813 1.574 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.266 1.515 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.343 4.408 -3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.083 3.640 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.453 5.167 -2.079 1.00 0.00 H new ATOM 820 N CYS A 53 3.162 1.966 0.285 1.00 0.00 N ATOM 821 CA CYS A 53 4.568 2.262 0.081 1.00 0.00 C ATOM 822 C CYS A 53 5.026 1.788 -1.296 1.00 0.00 C ATOM 823 O CYS A 53 5.110 0.601 -1.574 1.00 0.00 O ATOM 824 CB CYS A 53 5.384 1.582 1.178 1.00 0.00 C ATOM 825 SG CYS A 53 4.701 1.855 2.832 1.00 0.00 S ATOM 0 H CYS A 53 2.886 0.989 0.189 1.00 0.00 H new ATOM 0 HA CYS A 53 4.719 3.340 0.129 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.428 0.511 0.980 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.408 1.955 1.147 1.00 0.00 H new ATOM 0 HG CYS A 53 3.414 1.671 2.806 1.00 0.00 H new ATOM 831 N LEU A 54 5.331 2.801 -2.130 1.00 0.00 N ATOM 832 CA LEU A 54 5.802 2.472 -3.471 1.00 0.00 C ATOM 833 C LEU A 54 7.055 3.291 -3.777 1.00 0.00 C ATOM 834 O LEU A 54 7.355 4.275 -3.116 1.00 0.00 O ATOM 835 CB LEU A 54 4.698 2.686 -4.517 1.00 0.00 C ATOM 836 CG LEU A 54 4.076 4.088 -4.508 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.403 4.386 -3.173 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.120 5.155 -4.839 1.00 0.00 C ATOM 0 H LEU A 54 5.263 3.795 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 54 6.062 1.414 -3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.111 2.492 -5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.910 1.952 -4.350 1.00 0.00 H new ATOM 0 HG LEU A 54 3.309 4.113 -5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.972 5.387 -3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.614 3.656 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.141 4.329 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.651 6.139 -4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.920 5.124 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.534 4.964 -5.829 1.00 0.00 H new ATOM 850 N LEU A 55 7.782 2.808 -4.806 1.00 0.00 N ATOM 851 CA LEU A 55 9.010 3.501 -5.152 1.00 0.00 C ATOM 852 C LEU A 55 8.933 4.046 -6.574 1.00 0.00 C ATOM 853 O LEU A 55 8.464 3.392 -7.497 1.00 0.00 O ATOM 854 CB LEU A 55 10.174 2.529 -5.021 1.00 0.00 C ATOM 855 CG LEU A 55 11.513 3.196 -5.346 1.00 0.00 C ATOM 856 CD1 LEU A 55 12.320 3.483 -4.085 1.00 0.00 C ATOM 857 CD2 LEU A 55 12.333 2.308 -6.270 1.00 0.00 C ATOM 0 H LEU A 55 7.550 1.992 -5.372 1.00 0.00 H new ATOM 0 HA LEU A 55 9.156 4.344 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.203 2.132 -4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.018 1.683 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 55 11.292 4.143 -5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.264 3.956 -4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.754 4.150 -3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.521 2.549 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.283 2.794 -6.493 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.521 1.351 -5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.784 2.142 -7.197 1.00 0.00 H new ATOM 869 N HIS A 56 9.433 5.290 -6.679 1.00 0.00 N ATOM 870 CA HIS A 56 9.433 5.930 -7.983 1.00 0.00 C ATOM 871 C HIS A 56 10.614 5.407 -8.820 1.00 0.00 C ATOM 872 O HIS A 56 10.564 4.324 -9.391 1.00 0.00 O ATOM 873 CB HIS A 56 9.506 7.444 -7.798 1.00 0.00 C ATOM 874 CG HIS A 56 9.471 8.116 -9.149 1.00 0.00 C ATOM 875 ND1 HIS A 56 10.135 9.255 -9.442 1.00 0.00 N ATOM 876 CD2 HIS A 56 8.763 7.713 -10.295 1.00 0.00 C ATOM 877 CE1 HIS A 56 9.846 9.543 -10.722 1.00 0.00 C ATOM 878 NE2 HIS A 56 9.019 8.626 -11.259 1.00 0.00 N ATOM 0 H HIS A 56 9.821 5.840 -5.913 1.00 0.00 H new ATOM 0 HA HIS A 56 8.514 5.692 -8.519 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.671 7.787 -7.187 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.420 7.713 -7.269 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.134 6.840 -10.388 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.229 10.402 -11.253 1.00 0.00 H new ATOM 0 HE2 HIS A 56 8.655 8.621 -12.212 1.00 0.00 H new ATOM 886 N GLU A 57 11.670 6.247 -8.856 1.00 0.00 N ATOM 887 CA GLU A 57 12.852 5.864 -9.632 1.00 0.00 C ATOM 888 C GLU A 57 14.081 5.662 -8.728 1.00 0.00 C ATOM 889 O GLU A 57 15.202 5.502 -9.197 1.00 0.00 O ATOM 890 CB GLU A 57 13.145 6.972 -10.626 1.00 0.00 C ATOM 891 CG GLU A 57 11.954 7.240 -11.543 1.00 0.00 C ATOM 892 CD GLU A 57 12.179 6.565 -12.898 1.00 0.00 C ATOM 893 OE1 GLU A 57 13.148 6.910 -13.572 1.00 0.00 O ATOM 894 OE2 GLU A 57 11.383 5.702 -13.262 1.00 0.00 O ATOM 0 H GLU A 57 11.725 7.148 -8.381 1.00 0.00 H new ATOM 0 HA GLU A 57 12.649 4.920 -10.139 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.402 7.884 -10.088 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.013 6.701 -11.227 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.039 6.862 -11.086 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.823 8.313 -11.679 1.00 0.00 H new ATOM 901 N GLY A 58 13.798 5.686 -7.419 1.00 0.00 N ATOM 902 CA GLY A 58 14.878 5.525 -6.458 1.00 0.00 C ATOM 903 C GLY A 58 14.636 6.365 -5.193 1.00 0.00 C ATOM 904 O GLY A 58 15.557 6.808 -4.519 1.00 0.00 O ATOM 0 H GLY A 58 12.868 5.810 -7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 58 14.971 4.474 -6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.822 5.820 -6.917 1.00 0.00 H new ATOM 908 N LYS A 59 13.330 6.545 -4.938 1.00 0.00 N ATOM 909 CA LYS A 59 12.908 7.288 -3.784 1.00 0.00 C ATOM 910 C LYS A 59 11.654 6.595 -3.291 1.00 0.00 C ATOM 911 O LYS A 59 10.557 6.785 -3.806 1.00 0.00 O ATOM 912 CB LYS A 59 12.608 8.735 -4.148 1.00 0.00 C ATOM 913 CG LYS A 59 13.820 9.436 -4.763 1.00 0.00 C ATOM 914 CD LYS A 59 13.480 10.053 -6.120 1.00 0.00 C ATOM 915 CE LYS A 59 14.566 11.023 -6.585 1.00 0.00 C ATOM 916 NZ LYS A 59 14.223 11.680 -7.841 1.00 0.00 N ATOM 0 H LYS A 59 12.573 6.184 -5.518 1.00 0.00 H new ATOM 0 HA LYS A 59 13.686 7.314 -3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.776 8.766 -4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.292 9.275 -3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.174 10.214 -4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.634 8.721 -4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.357 9.262 -6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.527 10.578 -6.053 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.729 11.778 -5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.505 10.483 -6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.990 12.327 -8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.093 10.963 -8.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.341 12.218 -7.722 1.00 0.00 H new ATOM 930 N VAL A 60 11.898 5.770 -2.279 1.00 0.00 N ATOM 931 CA VAL A 60 10.796 5.006 -1.742 1.00 0.00 C ATOM 932 C VAL A 60 9.811 5.939 -1.069 1.00 0.00 C ATOM 933 O VAL A 60 10.165 6.925 -0.434 1.00 0.00 O ATOM 934 CB VAL A 60 11.306 3.983 -0.736 1.00 0.00 C ATOM 935 CG1 VAL A 60 11.421 4.618 0.645 1.00 0.00 C ATOM 936 CG2 VAL A 60 10.360 2.788 -0.674 1.00 0.00 C ATOM 0 H VAL A 60 12.805 5.621 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 60 10.299 4.480 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 60 12.290 3.642 -1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.787 3.878 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.117 5.456 0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.442 4.975 0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.736 2.064 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.369 3.124 -0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.299 2.321 -1.657 1.00 0.00 H new ATOM 946 N LEU A 61 8.555 5.530 -1.236 1.00 0.00 N ATOM 947 CA LEU A 61 7.492 6.315 -0.665 1.00 0.00 C ATOM 948 C LEU A 61 6.624 5.480 0.234 1.00 0.00 C ATOM 949 O LEU A 61 6.579 4.258 0.168 1.00 0.00 O ATOM 950 CB LEU A 61 6.655 6.924 -1.776 1.00 0.00 C ATOM 951 CG LEU A 61 7.562 7.571 -2.806 1.00 0.00 C ATOM 952 CD1 LEU A 61 6.756 8.312 -3.869 1.00 0.00 C ATOM 953 CD2 LEU A 61 8.517 8.513 -2.088 1.00 0.00 C ATOM 0 H LEU A 61 8.267 4.693 -1.742 1.00 0.00 H new ATOM 0 HA LEU A 61 7.935 7.109 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.045 6.154 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.970 7.665 -1.364 1.00 0.00 H new ATOM 0 HG LEU A 61 8.130 6.798 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.436 8.764 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.097 7.611 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.159 9.091 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.176 8.986 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.946 9.279 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.113 7.949 -1.371 1.00 0.00 H new ATOM 965 N HIS A 62 5.943 6.254 1.079 1.00 0.00 N ATOM 966 CA HIS A 62 5.044 5.629 2.033 1.00 0.00 C ATOM 967 C HIS A 62 3.886 6.570 2.346 1.00 0.00 C ATOM 968 O HIS A 62 3.960 7.354 3.267 1.00 0.00 O ATOM 969 CB HIS A 62 5.789 5.330 3.338 1.00 0.00 C ATOM 970 CG HIS A 62 7.009 4.470 3.089 1.00 0.00 C ATOM 971 ND1 HIS A 62 7.089 3.162 3.419 1.00 0.00 N ATOM 972 CD2 HIS A 62 8.252 4.861 2.555 1.00 0.00 C ATOM 973 CE1 HIS A 62 8.334 2.764 3.105 1.00 0.00 C ATOM 974 NE2 HIS A 62 9.054 3.772 2.581 1.00 0.00 N ATOM 0 H HIS A 62 5.995 7.272 1.120 1.00 0.00 H new ATOM 0 HA HIS A 62 4.668 4.703 1.598 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.091 6.265 3.810 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.120 4.823 4.034 1.00 0.00 H new ATOM 0 HD1 HIS A 62 6.350 2.589 3.826 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.515 5.844 2.193 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.709 1.762 3.254 1.00 0.00 H new ATOM 982 N TYR A 63 2.827 6.460 1.526 1.00 0.00 N ATOM 983 CA TYR A 63 1.672 7.293 1.794 1.00 0.00 C ATOM 984 C TYR A 63 0.890 6.680 2.953 1.00 0.00 C ATOM 985 O TYR A 63 0.806 5.467 3.102 1.00 0.00 O ATOM 986 CB TYR A 63 0.767 7.360 0.566 1.00 0.00 C ATOM 987 CG TYR A 63 1.448 7.961 -0.623 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.572 9.366 -0.749 1.00 0.00 C ATOM 989 CD2 TYR A 63 1.961 7.128 -1.644 1.00 0.00 C ATOM 990 CE1 TYR A 63 2.203 9.926 -1.876 1.00 0.00 C ATOM 991 CE2 TYR A 63 2.593 7.688 -2.770 1.00 0.00 C ATOM 992 CZ TYR A 63 2.716 9.089 -2.889 1.00 0.00 C ATOM 993 OH TYR A 63 3.336 9.638 -3.993 1.00 0.00 O ATOM 0 H TYR A 63 2.756 5.838 0.721 1.00 0.00 H new ATOM 0 HA TYR A 63 2.005 8.301 2.043 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.427 6.355 0.315 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.120 7.946 0.806 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.180 10.011 0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.867 6.055 -1.559 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.294 10.998 -1.965 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.984 7.045 -3.544 1.00 0.00 H new ATOM 0 HH TYR A 63 4.195 10.027 -3.726 1.00 0.00 H new ATOM 1003 N ARG A 64 0.326 7.592 3.760 1.00 0.00 N ATOM 1004 CA ARG A 64 -0.465 7.120 4.879 1.00 0.00 C ATOM 1005 C ARG A 64 -1.851 6.738 4.359 1.00 0.00 C ATOM 1006 O ARG A 64 -2.237 7.095 3.258 1.00 0.00 O ATOM 1007 CB ARG A 64 -0.570 8.219 5.932 1.00 0.00 C ATOM 1008 CG ARG A 64 -0.645 9.605 5.292 1.00 0.00 C ATOM 1009 CD ARG A 64 -1.109 10.661 6.295 1.00 0.00 C ATOM 1010 NE ARG A 64 -0.148 10.784 7.375 1.00 0.00 N ATOM 1011 CZ ARG A 64 -0.226 11.850 8.192 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -1.177 12.763 8.009 1.00 0.00 N ATOM 1013 NH2 ARG A 64 0.647 11.991 9.185 1.00 0.00 N ATOM 0 H ARG A 64 0.402 8.604 3.660 1.00 0.00 H new ATOM 0 HA ARG A 64 0.004 6.251 5.340 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.455 8.052 6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.292 8.171 6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.334 9.879 4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.331 9.579 4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.228 11.621 5.794 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.085 10.388 6.696 1.00 0.00 H new ATOM 0 HE ARG A 64 0.573 10.076 7.512 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.848 12.655 7.248 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.235 13.571 8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.375 11.291 9.327 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.588 12.799 9.805 1.00 0.00 H new ATOM 1027 N ILE A 65 -2.564 5.986 5.214 1.00 0.00 N ATOM 1028 CA ILE A 65 -3.901 5.569 4.816 1.00 0.00 C ATOM 1029 C ILE A 65 -4.768 5.358 6.060 1.00 0.00 C ATOM 1030 O ILE A 65 -4.286 5.026 7.136 1.00 0.00 O ATOM 1031 CB ILE A 65 -3.812 4.284 3.990 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -3.568 4.614 2.519 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -5.093 3.458 4.134 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.216 4.084 2.050 1.00 0.00 C ATOM 0 H ILE A 65 -2.253 5.673 6.133 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.361 6.344 4.203 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.975 3.696 4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.362 4.181 1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.608 5.694 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.009 2.549 3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.240 3.194 5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.944 4.043 3.785 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.072 4.335 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.422 4.537 2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.187 3.001 2.172 1.00 0.00 H new ATOM 1046 N ASP A 66 -6.081 5.578 5.834 1.00 0.00 N ATOM 1047 CA ASP A 66 -7.013 5.414 6.934 1.00 0.00 C ATOM 1048 C ASP A 66 -8.340 4.866 6.416 1.00 0.00 C ATOM 1049 O ASP A 66 -8.366 3.997 5.562 1.00 0.00 O ATOM 1050 CB ASP A 66 -7.191 6.761 7.631 1.00 0.00 C ATOM 1051 CG ASP A 66 -7.825 6.563 9.010 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -8.042 5.416 9.398 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -8.093 7.558 9.681 1.00 0.00 O ATOM 0 H ASP A 66 -6.490 5.855 4.942 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.625 4.696 7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.225 7.256 7.734 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.819 7.413 7.024 1.00 0.00 H new ATOM 1058 N LYS A 67 -9.410 5.380 7.064 1.00 0.00 N ATOM 1059 CA LYS A 67 -10.753 5.003 6.688 1.00 0.00 C ATOM 1060 C LYS A 67 -11.749 6.068 7.179 1.00 0.00 C ATOM 1061 O LYS A 67 -11.463 7.258 7.181 1.00 0.00 O ATOM 1062 CB LYS A 67 -11.036 3.616 7.262 1.00 0.00 C ATOM 1063 CG LYS A 67 -11.274 3.615 8.771 1.00 0.00 C ATOM 1064 CD LYS A 67 -11.670 2.226 9.265 1.00 0.00 C ATOM 1065 CE LYS A 67 -10.517 1.231 9.153 1.00 0.00 C ATOM 1066 NZ LYS A 67 -9.495 1.452 10.168 1.00 0.00 N ATOM 0 H LYS A 67 -9.352 6.045 7.835 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.863 4.952 5.605 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.911 3.198 6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.196 2.960 7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.370 3.943 9.285 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.059 4.330 9.019 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.995 2.289 10.303 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.520 1.864 8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.905 0.217 9.246 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.066 1.310 8.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.750 0.732 10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.081 2.398 10.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.924 1.384 11.113 1.00 0.00 H new ATOM 1080 N ASP A 68 -12.926 5.563 7.591 1.00 0.00 N ATOM 1081 CA ASP A 68 -13.960 6.490 8.056 1.00 0.00 C ATOM 1082 C ASP A 68 -14.771 5.867 9.200 1.00 0.00 C ATOM 1083 O ASP A 68 -15.972 6.067 9.315 1.00 0.00 O ATOM 1084 CB ASP A 68 -14.882 6.827 6.887 1.00 0.00 C ATOM 1085 CG ASP A 68 -15.792 8.006 7.250 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -15.944 8.290 8.438 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -16.338 8.627 6.340 1.00 0.00 O ATOM 0 H ASP A 68 -13.173 4.574 7.611 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.487 7.398 8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.289 7.074 6.007 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.487 5.958 6.630 1.00 0.00 H new ATOM 1092 N LYS A 69 -14.033 5.091 10.017 1.00 0.00 N ATOM 1093 CA LYS A 69 -14.662 4.406 11.153 1.00 0.00 C ATOM 1094 C LYS A 69 -15.826 3.494 10.720 1.00 0.00 C ATOM 1095 O LYS A 69 -16.419 2.788 11.527 1.00 0.00 O ATOM 1096 CB LYS A 69 -15.107 5.432 12.200 1.00 0.00 C ATOM 1097 CG LYS A 69 -16.461 6.076 11.868 1.00 0.00 C ATOM 1098 CD LYS A 69 -16.298 7.529 11.415 1.00 0.00 C ATOM 1099 CE LYS A 69 -16.865 8.504 12.449 1.00 0.00 C ATOM 1100 NZ LYS A 69 -16.360 8.245 13.792 1.00 0.00 N ATOM 0 H LYS A 69 -13.031 4.928 9.914 1.00 0.00 H new ATOM 0 HA LYS A 69 -13.917 3.749 11.601 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.171 4.946 13.174 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.350 6.212 12.282 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.954 5.503 11.083 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -17.107 6.038 12.745 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.242 7.744 11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.805 7.673 10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -16.613 9.524 12.159 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -17.953 8.434 12.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.342 9.133 14.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -16.980 7.560 14.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.397 7.857 13.732 1.00 0.00 H new ATOM 1114 N THR A 70 -16.102 3.553 9.411 1.00 0.00 N ATOM 1115 CA THR A 70 -17.140 2.728 8.862 1.00 0.00 C ATOM 1116 C THR A 70 -16.506 1.439 8.339 1.00 0.00 C ATOM 1117 O THR A 70 -17.123 0.384 8.269 1.00 0.00 O ATOM 1118 CB THR A 70 -17.763 3.497 7.711 1.00 0.00 C ATOM 1119 OG1 THR A 70 -18.846 4.262 8.178 1.00 0.00 O ATOM 1120 CG2 THR A 70 -18.216 2.573 6.595 1.00 0.00 C ATOM 0 H THR A 70 -15.623 4.154 8.740 1.00 0.00 H new ATOM 0 HA THR A 70 -17.896 2.481 9.608 1.00 0.00 H new ATOM 0 HB THR A 70 -17.001 4.158 7.300 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.243 4.757 7.431 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.656 3.162 5.791 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.360 2.018 6.212 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.958 1.874 6.980 1.00 0.00 H new ATOM 1128 N GLY A 71 -15.222 1.621 7.979 1.00 0.00 N ATOM 1129 CA GLY A 71 -14.484 0.510 7.438 1.00 0.00 C ATOM 1130 C GLY A 71 -13.816 0.863 6.102 1.00 0.00 C ATOM 1131 O GLY A 71 -12.815 0.275 5.709 1.00 0.00 O ATOM 0 H GLY A 71 -14.707 2.498 8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.723 0.197 8.153 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.155 -0.337 7.296 1.00 0.00 H new ATOM 1135 N LYS A 72 -14.434 1.858 5.439 1.00 0.00 N ATOM 1136 CA LYS A 72 -13.889 2.278 4.159 1.00 0.00 C ATOM 1137 C LYS A 72 -12.599 3.041 4.416 1.00 0.00 C ATOM 1138 O LYS A 72 -12.595 4.092 5.042 1.00 0.00 O ATOM 1139 CB LYS A 72 -14.894 3.157 3.419 1.00 0.00 C ATOM 1140 CG LYS A 72 -16.270 2.493 3.333 1.00 0.00 C ATOM 1141 CD LYS A 72 -17.237 3.310 2.475 1.00 0.00 C ATOM 1142 CE LYS A 72 -17.367 4.746 2.985 1.00 0.00 C ATOM 1143 NZ LYS A 72 -18.261 5.549 2.160 1.00 0.00 N ATOM 0 H LYS A 72 -15.266 2.356 5.755 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.685 1.408 3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.984 4.116 3.929 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.526 3.364 2.414 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.166 1.493 2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.682 2.377 4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.888 3.320 1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -18.217 2.833 2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.737 4.733 4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.382 5.211 3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.317 6.513 2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.896 5.586 1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.209 5.122 2.158 1.00 0.00 H new ATOM 1157 N LEU A 73 -11.521 2.473 3.849 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.230 3.089 4.057 1.00 0.00 C ATOM 1159 C LEU A 73 -10.130 4.316 3.160 1.00 0.00 C ATOM 1160 O LEU A 73 -10.721 4.374 2.093 1.00 0.00 O ATOM 1161 CB LEU A 73 -9.135 2.082 3.713 1.00 0.00 C ATOM 1162 CG LEU A 73 -9.419 0.706 4.319 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -8.279 -0.261 4.005 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -9.617 0.820 5.830 1.00 0.00 C ATOM 0 H LEU A 73 -11.527 1.631 3.274 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.110 3.393 5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.051 1.992 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.176 2.449 4.078 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.336 0.317 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.497 -1.235 4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.176 -0.364 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.349 0.125 4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.818 -0.167 6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.715 1.229 6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.459 1.480 6.038 1.00 0.00 H new ATOM 1176 N SER A 74 -9.347 5.293 3.648 1.00 0.00 N ATOM 1177 CA SER A 74 -9.236 6.496 2.854 1.00 0.00 C ATOM 1178 C SER A 74 -7.867 7.126 3.037 1.00 0.00 C ATOM 1179 O SER A 74 -7.501 7.596 4.107 1.00 0.00 O ATOM 1180 CB SER A 74 -10.333 7.473 3.266 1.00 0.00 C ATOM 1181 OG SER A 74 -11.600 6.876 3.144 1.00 0.00 O ATOM 0 H SER A 74 -8.823 5.270 4.523 1.00 0.00 H new ATOM 0 HA SER A 74 -9.355 6.246 1.800 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.174 7.793 4.296 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.285 8.366 2.643 1.00 0.00 H new ATOM 0 HG SER A 74 -12.291 7.517 3.414 1.00 0.00 H new ATOM 1187 N ILE A 75 -7.141 7.098 1.912 1.00 0.00 N ATOM 1188 CA ILE A 75 -5.824 7.686 1.927 1.00 0.00 C ATOM 1189 C ILE A 75 -5.998 9.210 1.827 1.00 0.00 C ATOM 1190 O ILE A 75 -6.585 9.728 0.887 1.00 0.00 O ATOM 1191 CB ILE A 75 -5.020 7.115 0.758 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -3.635 7.737 0.682 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -5.747 7.326 -0.561 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -2.659 6.785 -0.004 1.00 0.00 C ATOM 0 H ILE A 75 -7.437 6.691 1.025 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.278 7.457 2.842 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.912 6.045 0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.682 8.677 0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.279 7.971 1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.153 6.910 -1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.715 6.826 -0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.895 8.393 -0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.672 7.246 -0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.599 5.855 0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.008 6.573 -1.015 1.00 0.00 H new ATOM 1206 N PRO A 76 -5.471 9.908 2.864 1.00 0.00 N ATOM 1207 CA PRO A 76 -5.573 11.352 2.951 1.00 0.00 C ATOM 1208 C PRO A 76 -5.161 12.037 1.645 1.00 0.00 C ATOM 1209 O PRO A 76 -5.993 12.410 0.827 1.00 0.00 O ATOM 1210 CB PRO A 76 -4.675 11.764 4.128 1.00 0.00 C ATOM 1211 CG PRO A 76 -4.151 10.468 4.766 1.00 0.00 C ATOM 1212 CD PRO A 76 -4.701 9.303 3.937 1.00 0.00 C ATOM 0 HA PRO A 76 -6.604 11.665 3.115 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.849 12.386 3.784 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.236 12.352 4.854 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.061 10.455 4.772 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.477 10.390 5.803 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.892 8.690 3.540 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.326 8.650 4.547 1.00 0.00 H new ATOM 1220 N GLU A 77 -3.836 12.179 1.504 1.00 0.00 N ATOM 1221 CA GLU A 77 -3.338 12.819 0.297 1.00 0.00 C ATOM 1222 C GLU A 77 -3.930 12.138 -0.949 1.00 0.00 C ATOM 1223 O GLU A 77 -4.090 12.750 -1.998 1.00 0.00 O ATOM 1224 CB GLU A 77 -1.813 12.751 0.277 1.00 0.00 C ATOM 1225 CG GLU A 77 -1.203 13.424 1.509 1.00 0.00 C ATOM 1226 CD GLU A 77 -1.386 12.531 2.738 1.00 0.00 C ATOM 1227 OE1 GLU A 77 -1.416 11.311 2.579 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -1.496 13.065 3.840 1.00 0.00 O ATOM 0 H GLU A 77 -3.130 11.876 2.174 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.644 13.865 0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.495 11.709 0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.438 13.234 -0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.143 13.614 1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.677 14.391 1.678 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.244 10.837 -0.763 1.00 0.00 N ATOM 1236 CA GLY A 78 -4.811 10.089 -1.871 1.00 0.00 C ATOM 1237 C GLY A 78 -6.329 10.305 -1.969 1.00 0.00 C ATOM 1238 O GLY A 78 -6.863 11.339 -1.588 1.00 0.00 O ATOM 0 H GLY A 78 -4.117 10.316 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.336 10.398 -2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.600 9.027 -1.742 1.00 0.00 H new ATOM 1242 N LYS A 79 -6.975 9.250 -2.507 1.00 0.00 N ATOM 1243 CA LYS A 79 -8.419 9.300 -2.652 1.00 0.00 C ATOM 1244 C LYS A 79 -9.083 8.626 -1.442 1.00 0.00 C ATOM 1245 O LYS A 79 -8.629 8.722 -0.309 1.00 0.00 O ATOM 1246 CB LYS A 79 -8.801 8.588 -3.954 1.00 0.00 C ATOM 1247 CG LYS A 79 -9.916 9.319 -4.700 1.00 0.00 C ATOM 1248 CD LYS A 79 -9.442 9.795 -6.075 1.00 0.00 C ATOM 1249 CE LYS A 79 -10.395 9.349 -7.184 1.00 0.00 C ATOM 1250 NZ LYS A 79 -11.734 9.903 -7.023 1.00 0.00 N ATOM 0 H LYS A 79 -6.530 8.392 -2.832 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.764 10.333 -2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.924 8.512 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.121 7.570 -3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.774 8.657 -4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.251 10.173 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.364 10.882 -6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.444 9.403 -6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.992 9.654 -8.150 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.454 8.261 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.271 9.774 -7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.221 9.413 -6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.666 10.917 -6.804 1.00 0.00 H new ATOM 1264 N LYS A 80 -10.184 7.944 -1.785 1.00 0.00 N ATOM 1265 CA LYS A 80 -10.942 7.228 -0.761 1.00 0.00 C ATOM 1266 C LYS A 80 -11.314 5.849 -1.312 1.00 0.00 C ATOM 1267 O LYS A 80 -11.497 5.673 -2.510 1.00 0.00 O ATOM 1268 CB LYS A 80 -12.191 8.024 -0.388 1.00 0.00 C ATOM 1269 CG LYS A 80 -13.018 8.392 -1.621 1.00 0.00 C ATOM 1270 CD LYS A 80 -14.293 9.145 -1.237 1.00 0.00 C ATOM 1271 CE LYS A 80 -13.983 10.393 -0.410 1.00 0.00 C ATOM 1272 NZ LYS A 80 -15.188 11.118 -0.024 1.00 0.00 N ATOM 0 H LYS A 80 -10.557 7.875 -2.732 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.343 7.106 0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.803 7.440 0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.899 8.933 0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.419 9.008 -2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.280 7.486 -2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.833 9.431 -2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.949 8.485 -0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.433 10.104 0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.333 11.054 -0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.926 11.955 0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.701 11.418 -0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.798 10.499 0.547 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.410 4.881 -0.374 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.725 3.548 -0.820 1.00 0.00 C ATOM 1288 C PHE A 81 -12.419 2.730 0.273 1.00 0.00 C ATOM 1289 O PHE A 81 -12.507 3.114 1.434 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.422 2.890 -1.210 1.00 0.00 C ATOM 1291 CG PHE A 81 -9.827 3.562 -2.409 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.275 3.227 -3.707 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -8.824 4.552 -2.255 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -9.731 3.870 -4.840 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -8.278 5.196 -3.389 1.00 0.00 C ATOM 1296 CZ PHE A 81 -8.732 4.855 -4.681 1.00 0.00 C ATOM 0 H PHE A 81 -11.280 5.003 0.630 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.416 3.597 -1.662 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.722 2.936 -0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.592 1.835 -1.425 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -11.039 2.474 -3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.476 4.815 -1.267 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.079 3.608 -5.828 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.513 5.949 -3.267 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.316 5.347 -5.547 1.00 0.00 H new ATOM 1306 N ASP A 82 -12.887 1.558 -0.195 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.573 0.661 0.716 1.00 0.00 C ATOM 1308 C ASP A 82 -12.544 -0.150 1.500 1.00 0.00 C ATOM 1309 O ASP A 82 -12.602 -0.263 2.717 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.494 -0.263 -0.077 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.288 -1.154 0.881 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -16.013 -0.617 1.716 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -15.171 -2.374 0.781 1.00 0.00 O ATOM 0 H ASP A 82 -12.803 1.231 -1.158 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.176 1.236 1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.176 0.327 -0.689 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.907 -0.879 -0.758 1.00 0.00 H new ATOM 1318 N THR A 83 -11.598 -0.709 0.721 1.00 0.00 N ATOM 1319 CA THR A 83 -10.566 -1.492 1.351 1.00 0.00 C ATOM 1320 C THR A 83 -9.294 -1.341 0.536 1.00 0.00 C ATOM 1321 O THR A 83 -9.285 -0.776 -0.551 1.00 0.00 O ATOM 1322 CB THR A 83 -10.997 -2.956 1.419 1.00 0.00 C ATOM 1323 OG1 THR A 83 -11.174 -3.451 0.113 1.00 0.00 O ATOM 1324 CG2 THR A 83 -12.292 -3.130 2.212 1.00 0.00 C ATOM 0 H THR A 83 -11.541 -0.629 -0.294 1.00 0.00 H new ATOM 0 HA THR A 83 -10.390 -1.146 2.370 1.00 0.00 H new ATOM 0 HB THR A 83 -10.214 -3.514 1.933 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.449 -4.391 0.154 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.564 -4.185 2.237 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.147 -2.769 3.230 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.090 -2.560 1.735 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.226 -1.879 1.129 1.00 0.00 N ATOM 1333 CA LEU A 84 -6.958 -1.817 0.475 1.00 0.00 C ATOM 1334 C LEU A 84 -6.962 -2.552 -0.864 1.00 0.00 C ATOM 1335 O LEU A 84 -5.988 -2.550 -1.599 1.00 0.00 O ATOM 1336 CB LEU A 84 -5.983 -2.474 1.418 1.00 0.00 C ATOM 1337 CG LEU A 84 -5.120 -1.462 2.154 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -4.121 -2.187 3.049 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -4.402 -0.555 1.161 1.00 0.00 C ATOM 0 H LEU A 84 -8.231 -2.346 2.036 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.696 -0.783 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.531 -3.076 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.342 -3.155 0.858 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.758 -0.838 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.505 -1.456 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.659 -2.797 3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.484 -2.827 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.788 0.164 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.767 -1.157 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.137 -0.022 0.557 1.00 0.00 H new ATOM 1351 N TRP A 85 -8.109 -3.171 -1.121 1.00 0.00 N ATOM 1352 CA TRP A 85 -8.251 -3.901 -2.367 1.00 0.00 C ATOM 1353 C TRP A 85 -8.681 -2.950 -3.461 1.00 0.00 C ATOM 1354 O TRP A 85 -8.360 -3.109 -4.632 1.00 0.00 O ATOM 1355 CB TRP A 85 -9.325 -4.961 -2.185 1.00 0.00 C ATOM 1356 CG TRP A 85 -8.763 -6.328 -2.491 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -8.044 -6.670 -3.634 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -8.885 -7.507 -1.695 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -7.718 -7.996 -3.584 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -8.217 -8.555 -2.402 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -9.490 -7.759 -0.471 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -8.165 -9.838 -1.875 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -9.443 -9.066 0.078 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -8.780 -10.107 -0.625 1.00 0.00 C ATOM 0 H TRP A 85 -8.924 -3.182 -0.507 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.302 -4.363 -2.638 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -9.703 -4.935 -1.163 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -10.169 -4.751 -2.842 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -7.785 -5.993 -4.435 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.192 -8.500 -4.298 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -9.993 -6.965 0.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -7.660 -10.626 -2.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -9.911 -9.269 1.030 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -8.744 -11.103 -0.208 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.425 -1.950 -2.988 1.00 0.00 N ATOM 1376 CA GLN A 86 -9.928 -0.976 -3.927 1.00 0.00 C ATOM 1377 C GLN A 86 -8.918 0.132 -4.101 1.00 0.00 C ATOM 1378 O GLN A 86 -8.656 0.593 -5.197 1.00 0.00 O ATOM 1379 CB GLN A 86 -11.269 -0.431 -3.443 1.00 0.00 C ATOM 1380 CG GLN A 86 -12.270 -1.557 -3.182 1.00 0.00 C ATOM 1381 CD GLN A 86 -12.498 -2.358 -4.465 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -12.397 -3.578 -4.493 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -12.812 -1.583 -5.519 1.00 0.00 N ATOM 0 H GLN A 86 -9.677 -1.804 -2.011 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.086 -1.449 -4.896 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.121 0.144 -2.529 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.675 0.253 -4.188 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.896 -2.212 -2.395 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.214 -1.142 -2.829 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.875 -0.571 -5.407 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.987 -2.007 -6.430 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.355 0.523 -2.964 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.372 1.574 -3.054 1.00 0.00 C ATOM 1394 C LEU A 87 -6.133 1.078 -3.796 1.00 0.00 C ATOM 1395 O LEU A 87 -5.416 1.852 -4.413 1.00 0.00 O ATOM 1396 CB LEU A 87 -7.013 2.054 -1.651 1.00 0.00 C ATOM 1397 CG LEU A 87 -5.883 3.080 -1.677 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -5.822 3.841 -0.355 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.547 2.388 -1.950 1.00 0.00 C ATOM 0 H LEU A 87 -8.549 0.154 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.785 2.411 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.893 2.493 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.717 1.202 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.080 3.792 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.011 4.568 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.767 4.359 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.645 3.140 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.749 3.131 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.348 1.659 -1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.590 1.881 -2.914 1.00 0.00 H new ATOM 1411 N VAL A 88 -5.931 -0.250 -3.720 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.791 -0.793 -4.382 1.00 0.00 C ATOM 1413 C VAL A 88 -5.113 -1.090 -5.826 1.00 0.00 C ATOM 1414 O VAL A 88 -4.327 -0.820 -6.712 1.00 0.00 O ATOM 1415 CB VAL A 88 -4.379 -2.073 -3.710 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -3.435 -2.809 -4.632 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.726 -1.787 -2.363 1.00 0.00 C ATOM 0 H VAL A 88 -6.524 -0.917 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.983 -0.063 -4.332 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.254 -2.693 -3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.123 -3.742 -4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.941 -3.027 -5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.559 -2.190 -4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.435 -2.726 -1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.842 -1.167 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.433 -1.263 -1.720 1.00 0.00 H new ATOM 1427 N GLU A 89 -6.293 -1.703 -6.010 1.00 0.00 N ATOM 1428 CA GLU A 89 -6.641 -2.038 -7.373 1.00 0.00 C ATOM 1429 C GLU A 89 -6.813 -0.770 -8.179 1.00 0.00 C ATOM 1430 O GLU A 89 -6.363 -0.652 -9.312 1.00 0.00 O ATOM 1431 CB GLU A 89 -7.901 -2.862 -7.400 1.00 0.00 C ATOM 1432 CG GLU A 89 -9.104 -2.097 -6.888 1.00 0.00 C ATOM 1433 CD GLU A 89 -9.954 -1.605 -8.061 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -10.631 -2.425 -8.680 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -9.931 -0.408 -8.343 1.00 0.00 O ATOM 0 H GLU A 89 -6.967 -1.955 -5.287 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.839 -2.629 -7.816 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.093 -3.194 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.759 -3.757 -6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.702 -2.737 -6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.776 -1.250 -6.286 1.00 0.00 H new ATOM 1442 N HIS A 90 -7.494 0.167 -7.517 1.00 0.00 N ATOM 1443 CA HIS A 90 -7.717 1.425 -8.198 1.00 0.00 C ATOM 1444 C HIS A 90 -6.394 1.995 -8.616 1.00 0.00 C ATOM 1445 O HIS A 90 -6.130 2.272 -9.773 1.00 0.00 O ATOM 1446 CB HIS A 90 -8.416 2.414 -7.283 1.00 0.00 C ATOM 1447 CG HIS A 90 -9.073 3.486 -8.117 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -10.376 3.476 -8.472 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -8.481 4.642 -8.653 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -10.579 4.587 -9.201 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -9.449 5.308 -9.324 1.00 0.00 N ATOM 0 H HIS A 90 -7.875 0.084 -6.574 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.348 1.247 -9.069 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.162 1.901 -6.676 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -7.698 2.861 -6.595 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -7.449 4.942 -8.549 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -11.529 4.866 -9.633 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -9.343 6.189 -9.827 1.00 0.00 H new ATOM 1459 N TYR A 91 -5.601 2.165 -7.576 1.00 0.00 N ATOM 1460 CA TYR A 91 -4.282 2.708 -7.796 1.00 0.00 C ATOM 1461 C TYR A 91 -3.494 1.802 -8.739 1.00 0.00 C ATOM 1462 O TYR A 91 -2.566 2.234 -9.409 1.00 0.00 O ATOM 1463 CB TYR A 91 -3.571 2.878 -6.471 1.00 0.00 C ATOM 1464 CG TYR A 91 -3.942 4.192 -5.832 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -5.188 4.807 -6.130 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -3.072 4.817 -4.905 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -5.561 6.016 -5.507 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -3.451 6.031 -4.281 1.00 0.00 C ATOM 1469 CZ TYR A 91 -4.693 6.627 -4.582 1.00 0.00 C ATOM 1470 OH TYR A 91 -5.058 7.810 -3.971 1.00 0.00 O ATOM 0 H TYR A 91 -5.836 1.944 -6.608 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.364 3.688 -8.265 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.833 2.057 -5.804 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.493 2.833 -6.623 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.856 4.344 -6.841 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.118 4.367 -4.674 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.512 6.473 -5.739 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.786 6.502 -3.572 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.792 8.224 -4.472 1.00 0.00 H new ATOM 1480 N SER A 92 -3.910 0.518 -8.756 1.00 0.00 N ATOM 1481 CA SER A 92 -3.241 -0.387 -9.673 1.00 0.00 C ATOM 1482 C SER A 92 -3.429 0.125 -11.106 1.00 0.00 C ATOM 1483 O SER A 92 -2.763 -0.292 -12.046 1.00 0.00 O ATOM 1484 CB SER A 92 -3.870 -1.750 -9.533 1.00 0.00 C ATOM 1485 OG SER A 92 -2.896 -2.762 -9.507 1.00 0.00 O ATOM 0 H SER A 92 -4.654 0.118 -8.184 1.00 0.00 H new ATOM 0 HA SER A 92 -2.176 -0.444 -9.449 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.461 -1.788 -8.618 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.555 -1.923 -10.363 1.00 0.00 H new ATOM 0 HG SER A 92 -3.333 -3.634 -9.414 1.00 0.00 H new ATOM 1491 N TYR A 93 -4.391 1.061 -11.184 1.00 0.00 N ATOM 1492 CA TYR A 93 -4.716 1.654 -12.458 1.00 0.00 C ATOM 1493 C TYR A 93 -3.828 2.858 -12.675 1.00 0.00 C ATOM 1494 O TYR A 93 -3.099 2.973 -13.649 1.00 0.00 O ATOM 1495 CB TYR A 93 -6.165 2.127 -12.429 1.00 0.00 C ATOM 1496 CG TYR A 93 -7.121 1.035 -12.035 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -6.733 -0.327 -12.103 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -8.421 1.363 -11.585 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -7.637 -1.347 -11.728 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -9.326 0.343 -11.210 1.00 0.00 C ATOM 1501 CZ TYR A 93 -8.933 -1.011 -11.281 1.00 0.00 C ATOM 1502 OH TYR A 93 -9.816 -2.006 -10.915 1.00 0.00 O ATOM 0 H TYR A 93 -4.935 1.405 -10.393 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.571 0.924 -13.254 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.259 2.957 -11.729 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.439 2.508 -13.413 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.741 -0.587 -12.443 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.724 2.398 -11.527 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.336 -2.383 -11.783 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.318 0.600 -10.869 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.491 -1.637 -10.308 1.00 0.00 H new ATOM 1512 N LYS A 94 -4.013 3.761 -11.705 1.00 0.00 N ATOM 1513 CA LYS A 94 -3.278 4.986 -11.705 1.00 0.00 C ATOM 1514 C LYS A 94 -2.675 5.264 -10.349 1.00 0.00 C ATOM 1515 O LYS A 94 -2.797 4.517 -9.390 1.00 0.00 O ATOM 1516 CB LYS A 94 -4.258 6.089 -11.979 1.00 0.00 C ATOM 1517 CG LYS A 94 -5.478 5.973 -11.052 1.00 0.00 C ATOM 1518 CD LYS A 94 -6.547 7.010 -11.390 1.00 0.00 C ATOM 1519 CE LYS A 94 -7.523 6.480 -12.443 1.00 0.00 C ATOM 1520 NZ LYS A 94 -8.493 7.487 -12.859 1.00 0.00 N ATOM 0 H LYS A 94 -4.663 3.649 -10.927 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.482 4.922 -12.447 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.775 7.056 -11.834 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.580 6.046 -13.019 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.903 4.973 -11.134 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.162 6.101 -10.017 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.094 7.279 -10.487 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.071 7.919 -11.757 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.963 6.137 -13.313 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.051 5.615 -12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.131 7.080 -13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.047 7.797 -12.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.993 8.303 -13.267 1.00 0.00 H new ATOM 1534 N ALA A 95 -2.023 6.418 -10.368 1.00 0.00 N ATOM 1535 CA ALA A 95 -1.416 6.908 -9.151 1.00 0.00 C ATOM 1536 C ALA A 95 -2.515 7.544 -8.292 1.00 0.00 C ATOM 1537 O ALA A 95 -2.657 7.266 -7.110 1.00 0.00 O ATOM 1538 CB ALA A 95 -0.336 7.932 -9.491 1.00 0.00 C ATOM 0 H ALA A 95 -1.905 7.013 -11.188 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.947 6.093 -8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.120 8.299 -8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.427 7.463 -10.112 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.783 8.766 -10.033 1.00 0.00 H new ATOM 1544 N ASP A 96 -3.301 8.396 -8.984 1.00 0.00 N ATOM 1545 CA ASP A 96 -4.394 9.075 -8.284 1.00 0.00 C ATOM 1546 C ASP A 96 -3.875 10.218 -7.413 1.00 0.00 C ATOM 1547 O ASP A 96 -4.623 11.016 -6.862 1.00 0.00 O ATOM 1548 CB ASP A 96 -5.144 8.073 -7.443 1.00 0.00 C ATOM 1549 CG ASP A 96 -6.628 8.087 -7.819 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -7.143 9.159 -8.136 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -7.252 7.028 -7.792 1.00 0.00 O ATOM 0 H ASP A 96 -3.203 8.618 -9.975 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.065 9.508 -9.025 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.731 7.076 -7.594 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.025 8.310 -6.386 1.00 0.00 H new ATOM 1556 N GLY A 97 -2.553 10.224 -7.343 1.00 0.00 N ATOM 1557 CA GLY A 97 -1.878 11.240 -6.556 1.00 0.00 C ATOM 1558 C GLY A 97 -0.433 10.830 -6.234 1.00 0.00 C ATOM 1559 O GLY A 97 0.425 11.659 -5.959 1.00 0.00 O ATOM 0 H GLY A 97 -1.940 9.555 -7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.877 12.184 -7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.426 11.408 -5.629 1.00 0.00 H new ATOM 1563 N LEU A 98 -0.226 9.501 -6.299 1.00 0.00 N ATOM 1564 CA LEU A 98 1.092 8.990 -6.009 1.00 0.00 C ATOM 1565 C LEU A 98 2.093 9.664 -6.929 1.00 0.00 C ATOM 1566 O LEU A 98 1.737 10.407 -7.836 1.00 0.00 O ATOM 1567 CB LEU A 98 1.123 7.488 -6.267 1.00 0.00 C ATOM 1568 CG LEU A 98 -0.062 6.778 -5.638 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -0.188 5.363 -6.184 1.00 0.00 C ATOM 1570 CD2 LEU A 98 0.087 6.770 -4.123 1.00 0.00 C ATOM 0 H LEU A 98 -0.930 8.803 -6.540 1.00 0.00 H new ATOM 0 HA LEU A 98 1.341 9.190 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.127 7.305 -7.341 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.048 7.071 -5.869 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.976 7.315 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.043 4.869 -5.722 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.331 5.401 -7.264 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.720 4.804 -5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.766 6.259 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.005 6.249 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.129 7.796 -3.756 1.00 0.00 H new ATOM 1582 N LEU A 99 3.364 9.355 -6.644 1.00 0.00 N ATOM 1583 CA LEU A 99 4.391 9.885 -7.490 1.00 0.00 C ATOM 1584 C LEU A 99 4.215 9.266 -8.884 1.00 0.00 C ATOM 1585 O LEU A 99 4.395 9.909 -9.911 1.00 0.00 O ATOM 1586 CB LEU A 99 5.744 9.524 -6.885 1.00 0.00 C ATOM 1587 CG LEU A 99 6.670 10.735 -6.798 1.00 0.00 C ATOM 1588 CD1 LEU A 99 8.134 10.307 -6.873 1.00 0.00 C ATOM 1589 CD2 LEU A 99 6.348 11.716 -7.917 1.00 0.00 C ATOM 0 H LEU A 99 3.677 8.769 -5.870 1.00 0.00 H new ATOM 0 HA LEU A 99 4.332 10.970 -7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.597 9.107 -5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.216 8.749 -7.488 1.00 0.00 H new ATOM 0 HG LEU A 99 6.509 11.225 -5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.774 11.187 -6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.359 9.634 -6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.315 9.794 -7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.013 12.577 -7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.487 11.227 -8.881 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.314 12.048 -7.824 1.00 0.00 H new ATOM 1601 N ARG A 100 3.843 7.966 -8.829 1.00 0.00 N ATOM 1602 CA ARG A 100 3.605 7.234 -10.053 1.00 0.00 C ATOM 1603 C ARG A 100 2.635 6.086 -9.755 1.00 0.00 C ATOM 1604 O ARG A 100 2.503 5.629 -8.626 1.00 0.00 O ATOM 1605 CB ARG A 100 4.922 6.687 -10.575 1.00 0.00 C ATOM 1606 CG ARG A 100 4.805 6.223 -12.027 1.00 0.00 C ATOM 1607 CD ARG A 100 4.573 7.398 -12.976 1.00 0.00 C ATOM 1608 NE ARG A 100 5.716 8.293 -12.956 1.00 0.00 N ATOM 1609 CZ ARG A 100 5.697 9.383 -13.744 1.00 0.00 C ATOM 1610 NH1 ARG A 100 4.642 9.630 -14.517 1.00 0.00 N ATOM 1611 NH2 ARG A 100 6.734 10.216 -13.750 1.00 0.00 N ATOM 0 H ARG A 100 3.710 7.433 -7.970 1.00 0.00 H new ATOM 0 HA ARG A 100 3.172 7.889 -10.810 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.691 7.456 -10.499 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.243 5.853 -9.951 1.00 0.00 H new ATOM 0 HG2 ARG A 100 5.714 5.696 -12.315 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.983 5.513 -12.118 1.00 0.00 H new ATOM 0 HD2 ARG A 100 4.408 7.030 -13.989 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.673 7.939 -12.683 1.00 0.00 H new ATOM 0 HE ARG A 100 6.518 8.099 -12.356 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.846 8.992 -14.513 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.630 10.457 -15.114 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.543 10.028 -13.157 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.721 11.043 -14.347 1.00 0.00 H new ATOM 1625 N VAL A 101 1.971 5.660 -10.840 1.00 0.00 N ATOM 1626 CA VAL A 101 1.026 4.581 -10.716 1.00 0.00 C ATOM 1627 C VAL A 101 1.705 3.351 -10.107 1.00 0.00 C ATOM 1628 O VAL A 101 2.896 3.333 -9.826 1.00 0.00 O ATOM 1629 CB VAL A 101 0.557 4.223 -12.108 1.00 0.00 C ATOM 1630 CG1 VAL A 101 -0.669 3.355 -12.033 1.00 0.00 C ATOM 1631 CG2 VAL A 101 0.275 5.481 -12.934 1.00 0.00 C ATOM 0 H VAL A 101 2.077 6.043 -11.779 1.00 0.00 H new ATOM 0 HA VAL A 101 0.197 4.886 -10.077 1.00 0.00 H new ATOM 0 HB VAL A 101 1.352 3.668 -12.605 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.999 3.103 -13.041 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.434 2.440 -11.489 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.464 3.892 -11.515 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.061 5.194 -13.931 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.501 6.071 -12.446 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.185 6.075 -13.015 1.00 0.00 H new ATOM 1641 N LEU A 102 0.845 2.335 -9.932 1.00 0.00 N ATOM 1642 CA LEU A 102 1.319 1.058 -9.432 1.00 0.00 C ATOM 1643 C LEU A 102 1.225 0.059 -10.567 1.00 0.00 C ATOM 1644 O LEU A 102 0.431 0.196 -11.490 1.00 0.00 O ATOM 1645 CB LEU A 102 0.430 0.572 -8.311 1.00 0.00 C ATOM 1646 CG LEU A 102 0.663 1.285 -6.978 1.00 0.00 C ATOM 1647 CD1 LEU A 102 0.777 2.798 -7.140 1.00 0.00 C ATOM 1648 CD2 LEU A 102 -0.480 0.955 -6.029 1.00 0.00 C ATOM 0 H LEU A 102 -0.155 2.380 -10.127 1.00 0.00 H new ATOM 0 HA LEU A 102 2.340 1.163 -9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.612 0.703 -8.604 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.590 -0.497 -8.172 1.00 0.00 H new ATOM 0 HG LEU A 102 1.611 0.932 -6.573 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.942 3.257 -6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.615 3.031 -7.797 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.144 3.188 -7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.320 1.460 -5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.422 1.290 -6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.518 -0.122 -5.866 1.00 0.00 H new ATOM 1660 N THR A 103 2.083 -0.947 -10.437 1.00 0.00 N ATOM 1661 CA THR A 103 2.095 -1.959 -11.450 1.00 0.00 C ATOM 1662 C THR A 103 2.551 -3.317 -10.884 1.00 0.00 C ATOM 1663 O THR A 103 2.136 -4.371 -11.351 1.00 0.00 O ATOM 1664 CB THR A 103 3.035 -1.459 -12.535 1.00 0.00 C ATOM 1665 OG1 THR A 103 2.307 -0.705 -13.471 1.00 0.00 O ATOM 1666 CG2 THR A 103 3.761 -2.583 -13.241 1.00 0.00 C ATOM 0 H THR A 103 2.746 -1.070 -9.672 1.00 0.00 H new ATOM 0 HA THR A 103 1.095 -2.129 -11.849 1.00 0.00 H new ATOM 0 HB THR A 103 3.792 -0.842 -12.052 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.537 -0.290 -13.029 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.418 -2.168 -14.005 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.354 -3.144 -12.518 1.00 0.00 H new ATOM 0 HG23 THR A 103 3.035 -3.248 -13.709 1.00 0.00 H new ATOM 1674 N VAL A 104 3.422 -3.228 -9.857 1.00 0.00 N ATOM 1675 CA VAL A 104 3.951 -4.475 -9.294 1.00 0.00 C ATOM 1676 C VAL A 104 4.082 -4.402 -7.773 1.00 0.00 C ATOM 1677 O VAL A 104 4.248 -3.338 -7.200 1.00 0.00 O ATOM 1678 CB VAL A 104 5.362 -4.678 -9.850 1.00 0.00 C ATOM 1679 CG1 VAL A 104 5.705 -6.160 -9.993 1.00 0.00 C ATOM 1680 CG2 VAL A 104 5.546 -3.979 -11.196 1.00 0.00 C ATOM 0 H VAL A 104 3.753 -2.364 -9.428 1.00 0.00 H new ATOM 0 HA VAL A 104 3.268 -5.283 -9.556 1.00 0.00 H new ATOM 0 HB VAL A 104 6.044 -4.229 -9.128 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.715 -6.263 -10.391 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.648 -6.642 -9.017 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.997 -6.633 -10.673 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.561 -4.147 -11.557 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.833 -4.382 -11.916 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.376 -2.909 -11.077 1.00 0.00 H new ATOM 1690 N PRO A 105 3.994 -5.609 -7.137 1.00 0.00 N ATOM 1691 CA PRO A 105 4.201 -5.735 -5.704 1.00 0.00 C ATOM 1692 C PRO A 105 5.684 -5.504 -5.386 1.00 0.00 C ATOM 1693 O PRO A 105 6.571 -6.070 -6.013 1.00 0.00 O ATOM 1694 CB PRO A 105 3.774 -7.151 -5.334 1.00 0.00 C ATOM 1695 CG PRO A 105 3.429 -7.874 -6.647 1.00 0.00 C ATOM 1696 CD PRO A 105 3.556 -6.841 -7.775 1.00 0.00 C ATOM 0 HA PRO A 105 3.625 -5.003 -5.137 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.575 -7.670 -4.807 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.913 -7.132 -4.666 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.105 -8.713 -6.814 1.00 0.00 H new ATOM 0 HG3 PRO A 105 2.419 -8.281 -6.609 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.274 -7.169 -8.526 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.603 -6.700 -8.285 1.00 0.00 H new ATOM 1704 N CYS A 106 5.887 -4.636 -4.389 1.00 0.00 N ATOM 1705 CA CYS A 106 7.258 -4.263 -4.066 1.00 0.00 C ATOM 1706 C CYS A 106 7.873 -5.115 -2.968 1.00 0.00 C ATOM 1707 O CYS A 106 9.084 -5.288 -2.909 1.00 0.00 O ATOM 1708 CB CYS A 106 7.275 -2.809 -3.641 1.00 0.00 C ATOM 1709 SG CYS A 106 8.704 -1.901 -4.280 1.00 0.00 S ATOM 0 H CYS A 106 5.160 -4.201 -3.821 1.00 0.00 H new ATOM 0 HA CYS A 106 7.859 -4.427 -4.960 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.361 -2.325 -3.985 1.00 0.00 H new ATOM 0 HB3 CYS A 106 7.274 -2.755 -2.552 1.00 0.00 H new ATOM 0 HG CYS A 106 8.574 -0.637 -4.004 1.00 0.00 H new ATOM 1715 N GLN A 107 6.988 -5.595 -2.086 1.00 0.00 N ATOM 1716 CA GLN A 107 7.481 -6.375 -0.988 1.00 0.00 C ATOM 1717 C GLN A 107 8.532 -7.374 -1.449 1.00 0.00 C ATOM 1718 O GLN A 107 8.869 -7.494 -2.620 1.00 0.00 O ATOM 1719 CB GLN A 107 6.328 -7.065 -0.306 1.00 0.00 C ATOM 1720 CG GLN A 107 6.360 -6.781 1.192 1.00 0.00 C ATOM 1721 CD GLN A 107 7.261 -7.773 1.919 1.00 0.00 C ATOM 1722 OE1 GLN A 107 8.445 -7.543 2.116 1.00 0.00 O ATOM 1723 NE2 GLN A 107 6.610 -8.879 2.314 1.00 0.00 N ATOM 0 H GLN A 107 5.978 -5.457 -2.120 1.00 0.00 H new ATOM 0 HA GLN A 107 7.967 -5.712 -0.272 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.385 -6.719 -0.730 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.382 -8.139 -0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.717 -5.766 1.365 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.350 -6.837 1.598 1.00 0.00 H new ATOM 0 HE21 GLN A 107 5.617 -8.988 2.106 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.108 -9.610 2.822 1.00 0.00 H new ATOM 1857 N GLU B 3 4.584 10.544 1.824 1.00 0.00 N ATOM 1858 CA GLU B 3 4.528 11.275 0.580 1.00 0.00 C ATOM 1859 C GLU B 3 3.165 11.929 0.435 1.00 0.00 C ATOM 1860 O GLU B 3 2.246 11.688 1.208 1.00 0.00 O ATOM 1861 CB GLU B 3 4.798 10.329 -0.560 1.00 0.00 C ATOM 1862 CG GLU B 3 6.257 9.907 -0.579 1.00 0.00 C ATOM 1863 CD GLU B 3 7.178 11.100 -0.307 1.00 0.00 C ATOM 1864 OE1 GLU B 3 7.205 12.019 -1.124 1.00 0.00 O ATOM 1865 OE2 GLU B 3 7.857 11.095 0.719 1.00 0.00 O ATOM 0 HA GLU B 3 5.285 12.059 0.570 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.162 9.449 -0.466 1.00 0.00 H new ATOM 0 HB3 GLU B 3 4.541 10.809 -1.505 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.425 9.135 0.171 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.500 9.469 -1.547 1.00 0.00 H new ATOM 1872 N THR B 4 3.097 12.774 -0.603 1.00 0.00 N ATOM 1873 CA THR B 4 1.846 13.460 -0.832 1.00 0.00 C ATOM 1874 C THR B 4 1.293 13.090 -2.195 1.00 0.00 C ATOM 1875 O THR B 4 1.821 13.428 -3.247 1.00 0.00 O ATOM 1876 CB THR B 4 2.042 14.966 -0.703 1.00 0.00 C ATOM 1877 OG1 THR B 4 0.921 15.536 -0.070 1.00 0.00 O ATOM 1878 CG2 THR B 4 2.248 15.634 -2.059 1.00 0.00 C ATOM 0 H THR B 4 3.852 12.983 -1.256 1.00 0.00 H new ATOM 0 HA THR B 4 1.122 13.150 -0.078 1.00 0.00 H new ATOM 0 HB THR B 4 2.940 15.131 -0.107 1.00 0.00 H new ATOM 0 HG1 THR B 4 1.050 16.504 0.014 1.00 0.00 H new ATOM 0 HG21 THR B 4 2.384 16.706 -1.919 1.00 0.00 H new ATOM 0 HG22 THR B 4 3.132 15.216 -2.540 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.375 15.457 -2.688 1.00 0.00 H new ATOM 1886 N LEU B 5 0.191 12.359 -2.063 1.00 0.00 N ATOM 1887 CA LEU B 5 -0.510 11.885 -3.212 1.00 0.00 C ATOM 1888 C LEU B 5 -1.118 13.068 -3.969 1.00 0.00 C ATOM 1889 O LEU B 5 -2.309 13.341 -3.891 1.00 0.00 O ATOM 1890 CB LEU B 5 -1.587 10.945 -2.713 1.00 0.00 C ATOM 1891 CG LEU B 5 -1.205 9.518 -3.004 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.300 8.674 -1.757 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -2.117 8.957 -4.057 1.00 0.00 C ATOM 0 H LEU B 5 -0.221 12.092 -1.169 1.00 0.00 H new ATOM 0 HA LEU B 5 0.154 11.364 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.730 11.080 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.537 11.180 -3.193 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.175 9.501 -3.359 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.020 7.647 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.626 9.070 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.323 8.694 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -1.839 7.924 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.147 8.991 -3.702 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -2.028 9.548 -4.968 1.00 0.00 H new