USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=19 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 -105:sc= 0.126! USER MOD Set 1.2: A 62 HIS : no HD1:sc= -4.34! C(o=-4.2!,f=-19!) USER MOD Set 2.1: A 36 ASN : amide:sc= -12! C(o=-21!,f=-20!) USER MOD Set 2.2: A 56 HIS : no HD1:sc= -9.2! C(o=-21!,f=-31!) USER MOD Single : A 17 HIS : no HD1:sc= -5.45! C(o=-5.5!,f=-3.2!) USER MOD Single : A 25 SER OG : rot 106:sc= -9.82! USER MOD Single : A 27 GLN : amide:sc= -0.695 K(o=-0.7,f=-1.7!) USER MOD Single : A 33 SER OG : rot -71:sc= -3.25! USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= -1.31 (180deg=-2.03!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.114) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.0869 USER MOD Single : A 67 LYS NZ :NH3+ -118:sc= -0.0696 (180deg=-0.476) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 146:sc= -0.282 (180deg=-1.79) USER MOD Single : A 74 SER OG : rot 34:sc= 0.297! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0665 USER MOD Single : A 86 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.34) USER MOD Single : A 90 HIS : no HD1:sc= -0.786 X(o=-0.79,f=-0.45) USER MOD Single : A 91 TYR OH : rot 79:sc= -0.715 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 157:sc= -0.863! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 28:sc= 0.396 USER MOD Single : A 106 CYS SG : rot 110:sc= -14.1! USER MOD Single : A 107 GLN : amide:sc= -0.974 K(o=-0.97,f=-4!) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 209 N TRP A 15 2.027 -7.756 -1.999 1.00 0.00 N ATOM 210 CA TRP A 15 1.463 -6.421 -2.067 1.00 0.00 C ATOM 211 C TRP A 15 0.947 -5.961 -0.696 1.00 0.00 C ATOM 212 O TRP A 15 0.279 -4.943 -0.589 1.00 0.00 O ATOM 213 CB TRP A 15 0.341 -6.393 -3.107 1.00 0.00 C ATOM 214 CG TRP A 15 -0.872 -7.143 -2.606 1.00 0.00 C ATOM 215 CD1 TRP A 15 -1.129 -8.497 -2.807 1.00 0.00 C ATOM 216 CD2 TRP A 15 -1.973 -6.607 -1.865 1.00 0.00 C ATOM 217 NE1 TRP A 15 -2.324 -8.823 -2.231 1.00 0.00 N ATOM 218 CE2 TRP A 15 -2.882 -7.685 -1.637 1.00 0.00 C ATOM 219 CE3 TRP A 15 -2.258 -5.333 -1.387 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -4.063 -7.474 -0.935 1.00 0.00 C ATOM 221 CZ3 TRP A 15 -3.460 -5.109 -0.668 1.00 0.00 C ATOM 222 CH2 TRP A 15 -4.363 -6.180 -0.443 1.00 0.00 C ATOM 0 HA TRP A 15 2.248 -5.727 -2.367 1.00 0.00 H new ATOM 0 HB2 TRP A 15 0.070 -5.361 -3.329 1.00 0.00 H new ATOM 0 HB3 TRP A 15 0.691 -6.838 -4.038 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -0.484 -9.183 -3.336 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -2.745 -9.752 -2.233 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -1.569 -4.520 -1.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -4.748 -8.292 -0.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.688 -4.123 -0.292 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.279 -6.009 0.103 1.00 0.00 H new ATOM 233 N PHE A 16 1.309 -6.745 0.345 1.00 0.00 N ATOM 234 CA PHE A 16 0.854 -6.367 1.657 1.00 0.00 C ATOM 235 C PHE A 16 2.059 -5.892 2.479 1.00 0.00 C ATOM 236 O PHE A 16 2.871 -5.089 2.035 1.00 0.00 O ATOM 237 CB PHE A 16 0.133 -7.549 2.315 1.00 0.00 C ATOM 238 CG PHE A 16 -0.659 -7.093 3.507 1.00 0.00 C ATOM 239 CD1 PHE A 16 -1.525 -5.976 3.411 1.00 0.00 C ATOM 240 CD2 PHE A 16 -0.517 -7.753 4.750 1.00 0.00 C ATOM 241 CE1 PHE A 16 -2.234 -5.525 4.546 1.00 0.00 C ATOM 242 CE2 PHE A 16 -1.226 -7.303 5.885 1.00 0.00 C ATOM 243 CZ PHE A 16 -2.086 -6.188 5.784 1.00 0.00 C ATOM 0 H PHE A 16 1.880 -7.588 0.290 1.00 0.00 H new ATOM 0 HA PHE A 16 0.139 -5.547 1.596 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.530 -8.025 1.592 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.861 -8.300 2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.643 -5.467 2.466 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.139 -8.607 4.831 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.891 -4.671 4.467 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.110 -7.812 6.831 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.629 -5.843 6.651 1.00 0.00 H new ATOM 253 N HIS A 17 2.110 -6.446 3.693 1.00 0.00 N ATOM 254 CA HIS A 17 3.176 -6.084 4.598 1.00 0.00 C ATOM 255 C HIS A 17 3.319 -7.139 5.722 1.00 0.00 C ATOM 256 O HIS A 17 4.266 -7.127 6.493 1.00 0.00 O ATOM 257 CB HIS A 17 2.838 -4.683 5.129 1.00 0.00 C ATOM 258 CG HIS A 17 2.967 -4.586 6.636 1.00 0.00 C ATOM 259 ND1 HIS A 17 3.881 -3.829 7.278 1.00 0.00 N ATOM 260 CD2 HIS A 17 2.180 -5.237 7.599 1.00 0.00 C ATOM 261 CE1 HIS A 17 3.664 -4.008 8.593 1.00 0.00 C ATOM 262 NE2 HIS A 17 2.641 -4.854 8.813 1.00 0.00 N ATOM 0 H HIS A 17 1.441 -7.126 4.054 1.00 0.00 H new ATOM 0 HA HIS A 17 4.145 -6.062 4.100 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.499 -3.952 4.663 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.820 -4.423 4.837 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.362 -5.915 7.408 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.239 -3.533 9.374 1.00 0.00 H new ATOM 0 HE2 HIS A 17 2.282 -5.150 9.721 1.00 0.00 H new ATOM 353 N GLU A 23 10.094 -0.254 6.845 1.00 0.00 N ATOM 354 CA GLU A 23 11.387 0.074 6.318 1.00 0.00 C ATOM 355 C GLU A 23 11.858 -1.111 5.491 1.00 0.00 C ATOM 356 O GLU A 23 12.351 -0.991 4.376 1.00 0.00 O ATOM 357 CB GLU A 23 12.317 0.315 7.502 1.00 0.00 C ATOM 358 CG GLU A 23 13.075 -0.935 7.942 1.00 0.00 C ATOM 359 CD GLU A 23 14.131 -0.564 8.984 1.00 0.00 C ATOM 360 OE1 GLU A 23 15.138 0.037 8.611 1.00 0.00 O ATOM 361 OE2 GLU A 23 13.936 -0.882 10.156 1.00 0.00 O ATOM 0 HA GLU A 23 11.368 0.965 5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.035 1.092 7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.733 0.692 8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.380 -1.664 8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.551 -1.404 7.081 1.00 0.00 H new ATOM 368 N GLU A 24 11.652 -2.263 6.144 1.00 0.00 N ATOM 369 CA GLU A 24 12.026 -3.510 5.512 1.00 0.00 C ATOM 370 C GLU A 24 11.447 -3.570 4.091 1.00 0.00 C ATOM 371 O GLU A 24 12.038 -4.127 3.176 1.00 0.00 O ATOM 372 CB GLU A 24 11.505 -4.660 6.362 1.00 0.00 C ATOM 373 CG GLU A 24 11.922 -4.499 7.824 1.00 0.00 C ATOM 374 CD GLU A 24 13.433 -4.696 7.960 1.00 0.00 C ATOM 375 OE1 GLU A 24 14.180 -3.816 7.534 1.00 0.00 O ATOM 376 OE2 GLU A 24 13.846 -5.726 8.492 1.00 0.00 O ATOM 0 H GLU A 24 11.243 -2.346 7.075 1.00 0.00 H new ATOM 0 HA GLU A 24 13.111 -3.584 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.418 -4.703 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.886 -5.605 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.642 -3.509 8.184 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.395 -5.225 8.443 1.00 0.00 H new ATOM 383 N SER A 25 10.256 -2.947 3.976 1.00 0.00 N ATOM 384 CA SER A 25 9.587 -2.932 2.683 1.00 0.00 C ATOM 385 C SER A 25 10.156 -1.828 1.775 1.00 0.00 C ATOM 386 O SER A 25 10.101 -1.912 0.555 1.00 0.00 O ATOM 387 CB SER A 25 8.096 -2.712 2.909 1.00 0.00 C ATOM 388 OG SER A 25 7.339 -3.448 1.984 1.00 0.00 O ATOM 0 H SER A 25 9.765 -2.471 4.733 1.00 0.00 H new ATOM 0 HA SER A 25 9.754 -3.886 2.183 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.829 -3.010 3.923 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.862 -1.652 2.816 1.00 0.00 H new ATOM 0 HG SER A 25 6.933 -4.219 2.433 1.00 0.00 H new ATOM 394 N GLU A 26 10.702 -0.795 2.448 1.00 0.00 N ATOM 395 CA GLU A 26 11.256 0.314 1.711 1.00 0.00 C ATOM 396 C GLU A 26 12.671 -0.017 1.205 1.00 0.00 C ATOM 397 O GLU A 26 13.162 0.568 0.247 1.00 0.00 O ATOM 398 CB GLU A 26 11.254 1.517 2.646 1.00 0.00 C ATOM 399 CG GLU A 26 12.530 2.333 2.528 1.00 0.00 C ATOM 400 CD GLU A 26 12.483 3.528 3.482 1.00 0.00 C ATOM 401 OE1 GLU A 26 11.388 3.903 3.900 1.00 0.00 O ATOM 402 OE2 GLU A 26 13.541 4.070 3.798 1.00 0.00 O ATOM 0 H GLU A 26 10.762 -0.722 3.464 1.00 0.00 H new ATOM 0 HA GLU A 26 10.661 0.531 0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.396 2.151 2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.136 1.176 3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.393 1.708 2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.654 2.682 1.503 1.00 0.00 H new ATOM 409 N GLN A 27 13.282 -0.995 1.899 1.00 0.00 N ATOM 410 CA GLN A 27 14.613 -1.407 1.480 1.00 0.00 C ATOM 411 C GLN A 27 14.421 -2.398 0.338 1.00 0.00 C ATOM 412 O GLN A 27 15.248 -2.551 -0.547 1.00 0.00 O ATOM 413 CB GLN A 27 15.375 -2.044 2.639 1.00 0.00 C ATOM 414 CG GLN A 27 14.654 -3.279 3.170 1.00 0.00 C ATOM 415 CD GLN A 27 15.573 -4.052 4.119 1.00 0.00 C ATOM 416 OE1 GLN A 27 16.753 -3.755 4.262 1.00 0.00 O ATOM 417 NE2 GLN A 27 14.948 -5.061 4.751 1.00 0.00 N ATOM 0 H GLN A 27 12.895 -1.484 2.706 1.00 0.00 H new ATOM 0 HA GLN A 27 15.204 -0.551 1.155 1.00 0.00 H new ATOM 0 HB2 GLN A 27 16.377 -2.320 2.309 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.493 -1.317 3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.744 -2.983 3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.352 -3.919 2.341 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.960 -5.240 4.573 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.462 -5.647 5.408 1.00 0.00 H new ATOM 426 N ILE A 28 13.255 -3.057 0.428 1.00 0.00 N ATOM 427 CA ILE A 28 12.905 -3.974 -0.591 1.00 0.00 C ATOM 428 C ILE A 28 12.684 -3.196 -1.872 1.00 0.00 C ATOM 429 O ILE A 28 13.081 -3.590 -2.962 1.00 0.00 O ATOM 430 CB ILE A 28 11.620 -4.636 -0.151 1.00 0.00 C ATOM 431 CG1 ILE A 28 11.867 -5.727 0.876 1.00 0.00 C ATOM 432 CG2 ILE A 28 10.890 -5.205 -1.345 1.00 0.00 C ATOM 433 CD1 ILE A 28 10.584 -6.024 1.646 1.00 0.00 C ATOM 0 H ILE A 28 12.577 -2.956 1.184 1.00 0.00 H new ATOM 0 HA ILE A 28 13.679 -4.722 -0.762 1.00 0.00 H new ATOM 0 HB ILE A 28 11.003 -3.871 0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.220 -6.631 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.651 -5.416 1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.966 -5.679 -1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.656 -4.403 -2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.521 -5.944 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.773 -6.808 2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.249 -5.121 2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.812 -6.355 0.952 1.00 0.00 H new ATOM 445 N VAL A 29 11.998 -2.068 -1.659 1.00 0.00 N ATOM 446 CA VAL A 29 11.747 -1.205 -2.781 1.00 0.00 C ATOM 447 C VAL A 29 13.072 -0.735 -3.359 1.00 0.00 C ATOM 448 O VAL A 29 13.200 -0.437 -4.539 1.00 0.00 O ATOM 449 CB VAL A 29 10.939 -0.004 -2.301 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.180 1.182 -3.217 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.446 -0.320 -2.214 1.00 0.00 C ATOM 0 H VAL A 29 11.629 -1.755 -0.761 1.00 0.00 H new ATOM 0 HA VAL A 29 11.191 -1.740 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 29 11.276 0.245 -1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.599 2.036 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.240 1.437 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.874 0.926 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.907 0.562 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.077 -0.608 -3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.288 -1.140 -1.513 1.00 0.00 H new ATOM 461 N LEU A 30 14.040 -0.675 -2.450 1.00 0.00 N ATOM 462 CA LEU A 30 15.333 -0.270 -2.865 1.00 0.00 C ATOM 463 C LEU A 30 15.807 -1.253 -3.933 1.00 0.00 C ATOM 464 O LEU A 30 16.489 -0.907 -4.890 1.00 0.00 O ATOM 465 CB LEU A 30 16.199 -0.311 -1.612 1.00 0.00 C ATOM 466 CG LEU A 30 17.209 -1.446 -1.627 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.437 -1.062 -2.431 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.602 -1.828 -0.218 1.00 0.00 C ATOM 0 H LEU A 30 13.939 -0.898 -1.460 1.00 0.00 H new ATOM 0 HA LEU A 30 15.368 0.729 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.727 0.637 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.558 -0.414 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 30 16.742 -2.309 -2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 30 19.147 -1.889 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.145 -0.838 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 30 18.903 -0.183 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.326 -2.642 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.046 -0.967 0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.718 -2.150 0.332 1.00 0.00 H new ATOM 480 N ILE A 31 15.379 -2.508 -3.682 1.00 0.00 N ATOM 481 CA ILE A 31 15.734 -3.559 -4.582 1.00 0.00 C ATOM 482 C ILE A 31 15.005 -3.374 -5.889 1.00 0.00 C ATOM 483 O ILE A 31 15.570 -3.085 -6.937 1.00 0.00 O ATOM 484 CB ILE A 31 15.307 -4.916 -4.027 1.00 0.00 C ATOM 485 CG1 ILE A 31 15.176 -4.949 -2.515 1.00 0.00 C ATOM 486 CG2 ILE A 31 16.261 -5.968 -4.495 1.00 0.00 C ATOM 487 CD1 ILE A 31 16.418 -5.532 -1.842 1.00 0.00 C ATOM 0 H ILE A 31 14.807 -2.786 -2.884 1.00 0.00 H new ATOM 0 HA ILE A 31 16.815 -3.527 -4.717 1.00 0.00 H new ATOM 0 HB ILE A 31 14.306 -5.113 -4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 31 15.004 -3.938 -2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.304 -5.542 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 31 15.957 -6.937 -4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 31 16.258 -6.004 -5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.265 -5.731 -4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 31 16.278 -5.535 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 31 16.576 -6.553 -2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 31 17.287 -4.924 -2.094 1.00 0.00 H new ATOM 499 N GLY A 32 13.693 -3.576 -5.723 1.00 0.00 N ATOM 500 CA GLY A 32 12.833 -3.523 -6.878 1.00 0.00 C ATOM 501 C GLY A 32 12.092 -2.192 -7.014 1.00 0.00 C ATOM 502 O GLY A 32 11.855 -1.481 -6.049 1.00 0.00 O ATOM 0 H GLY A 32 13.232 -3.769 -4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.428 -3.694 -7.775 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.106 -4.333 -6.819 1.00 0.00 H new ATOM 506 N SER A 33 11.749 -1.937 -8.298 1.00 0.00 N ATOM 507 CA SER A 33 11.036 -0.711 -8.650 1.00 0.00 C ATOM 508 C SER A 33 11.981 0.203 -9.415 1.00 0.00 C ATOM 509 O SER A 33 13.197 0.154 -9.270 1.00 0.00 O ATOM 510 CB SER A 33 10.478 -0.012 -7.414 1.00 0.00 C ATOM 511 OG SER A 33 9.545 0.968 -7.787 1.00 0.00 O ATOM 0 H SER A 33 11.953 -2.555 -9.083 1.00 0.00 H new ATOM 0 HA SER A 33 10.183 -0.964 -9.279 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.005 -0.742 -6.757 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.290 0.446 -6.849 1.00 0.00 H new ATOM 0 HG SER A 33 10.011 1.720 -8.208 1.00 0.00 H new ATOM 517 N LYS A 34 11.329 1.037 -10.236 1.00 0.00 N ATOM 518 CA LYS A 34 12.097 1.940 -11.068 1.00 0.00 C ATOM 519 C LYS A 34 11.155 2.698 -11.974 1.00 0.00 C ATOM 520 O LYS A 34 11.146 3.919 -12.065 1.00 0.00 O ATOM 521 CB LYS A 34 13.014 1.105 -11.947 1.00 0.00 C ATOM 522 CG LYS A 34 14.228 1.899 -12.407 1.00 0.00 C ATOM 523 CD LYS A 34 15.426 1.699 -11.478 1.00 0.00 C ATOM 524 CE LYS A 34 16.207 0.431 -11.829 1.00 0.00 C ATOM 525 NZ LYS A 34 15.453 -0.785 -11.547 1.00 0.00 N ATOM 0 H LYS A 34 10.316 1.098 -10.333 1.00 0.00 H new ATOM 0 HA LYS A 34 12.665 2.632 -10.446 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.343 0.224 -11.396 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.461 0.750 -12.816 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.498 1.595 -13.418 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.974 2.958 -12.449 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.086 2.564 -11.544 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.081 1.640 -10.446 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.473 0.453 -12.886 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.140 0.415 -11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.104 -1.595 -11.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.964 -0.687 -10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.752 -0.941 -12.300 1.00 0.00 H new ATOM 539 N THR A 35 10.367 1.846 -12.634 1.00 0.00 N ATOM 540 CA THR A 35 9.393 2.336 -13.587 1.00 0.00 C ATOM 541 C THR A 35 8.351 3.260 -12.942 1.00 0.00 C ATOM 542 O THR A 35 7.419 3.731 -13.582 1.00 0.00 O ATOM 543 CB THR A 35 8.710 1.127 -14.201 1.00 0.00 C ATOM 544 OG1 THR A 35 9.413 -0.047 -13.864 1.00 0.00 O ATOM 545 CG2 THR A 35 8.628 1.243 -15.711 1.00 0.00 C ATOM 0 H THR A 35 10.389 0.832 -12.523 1.00 0.00 H new ATOM 0 HA THR A 35 9.904 2.933 -14.342 1.00 0.00 H new ATOM 0 HB THR A 35 7.697 1.082 -13.802 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.965 -0.822 -14.262 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.134 0.361 -16.117 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.058 2.133 -15.977 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.633 1.319 -16.125 1.00 0.00 H new ATOM 553 N ASN A 36 8.579 3.478 -11.651 1.00 0.00 N ATOM 554 CA ASN A 36 7.685 4.336 -10.907 1.00 0.00 C ATOM 555 C ASN A 36 6.274 3.757 -10.937 1.00 0.00 C ATOM 556 O ASN A 36 5.290 4.451 -11.164 1.00 0.00 O ATOM 557 CB ASN A 36 7.718 5.734 -11.518 1.00 0.00 C ATOM 558 CG ASN A 36 6.877 6.719 -10.691 1.00 0.00 C ATOM 559 OD1 ASN A 36 6.715 7.879 -11.049 1.00 0.00 O ATOM 560 ND2 ASN A 36 6.359 6.182 -9.569 1.00 0.00 N ATOM 0 H ASN A 36 9.353 3.083 -11.117 1.00 0.00 H new ATOM 0 HA ASN A 36 8.002 4.400 -9.866 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.748 6.086 -11.572 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.340 5.697 -12.540 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.785 6.753 -8.948 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.541 5.205 -9.340 1.00 0.00 H new ATOM 567 N GLY A 37 6.253 2.437 -10.692 1.00 0.00 N ATOM 568 CA GLY A 37 4.976 1.751 -10.675 1.00 0.00 C ATOM 569 C GLY A 37 4.953 0.609 -9.650 1.00 0.00 C ATOM 570 O GLY A 37 4.007 -0.166 -9.589 1.00 0.00 O ATOM 0 H GLY A 37 7.072 1.856 -10.512 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.184 2.463 -10.443 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.765 1.352 -11.667 1.00 0.00 H new ATOM 574 N LYS A 38 6.043 0.544 -8.852 1.00 0.00 N ATOM 575 CA LYS A 38 6.077 -0.506 -7.863 1.00 0.00 C ATOM 576 C LYS A 38 5.461 0.036 -6.592 1.00 0.00 C ATOM 577 O LYS A 38 5.540 1.221 -6.299 1.00 0.00 O ATOM 578 CB LYS A 38 7.507 -0.968 -7.610 1.00 0.00 C ATOM 579 CG LYS A 38 7.541 -2.413 -7.111 1.00 0.00 C ATOM 580 CD LYS A 38 7.864 -3.393 -8.238 1.00 0.00 C ATOM 581 CE LYS A 38 9.313 -3.875 -8.165 1.00 0.00 C ATOM 582 NZ LYS A 38 9.424 -5.213 -7.597 1.00 0.00 N ATOM 0 H LYS A 38 6.849 1.169 -8.881 1.00 0.00 H new ATOM 0 HA LYS A 38 5.516 -1.371 -8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.087 -0.884 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.978 -0.315 -6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.287 -2.508 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.577 -2.669 -6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.192 -4.249 -8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.687 -2.913 -9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.746 -3.871 -9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.895 -3.178 -7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.424 -5.496 -7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.036 -5.214 -6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.891 -5.885 -8.185 1.00 0.00 H new ATOM 596 N PHE A 39 4.842 -0.893 -5.859 1.00 0.00 N ATOM 597 CA PHE A 39 4.207 -0.441 -4.634 1.00 0.00 C ATOM 598 C PHE A 39 3.952 -1.596 -3.667 1.00 0.00 C ATOM 599 O PHE A 39 3.881 -2.761 -4.036 1.00 0.00 O ATOM 600 CB PHE A 39 2.890 0.256 -4.993 1.00 0.00 C ATOM 601 CG PHE A 39 1.800 -0.737 -5.290 1.00 0.00 C ATOM 602 CD1 PHE A 39 1.730 -1.376 -6.552 1.00 0.00 C ATOM 603 CD2 PHE A 39 0.838 -1.050 -4.301 1.00 0.00 C ATOM 604 CE1 PHE A 39 0.709 -2.318 -6.819 1.00 0.00 C ATOM 605 CE2 PHE A 39 -0.181 -1.990 -4.566 1.00 0.00 C ATOM 606 CZ PHE A 39 -0.246 -2.625 -5.826 1.00 0.00 C ATOM 0 H PHE A 39 4.771 -1.888 -6.074 1.00 0.00 H new ATOM 0 HA PHE A 39 4.876 0.255 -4.128 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.582 0.899 -4.169 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.043 0.899 -5.860 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.459 -1.143 -7.314 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.884 -0.566 -3.336 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.660 -2.802 -7.783 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.911 -2.224 -3.805 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.025 -3.344 -6.029 1.00 0.00 H new ATOM 616 N LEU A 40 3.811 -1.162 -2.405 1.00 0.00 N ATOM 617 CA LEU A 40 3.514 -2.119 -1.356 1.00 0.00 C ATOM 618 C LEU A 40 2.859 -1.371 -0.193 1.00 0.00 C ATOM 619 O LEU A 40 3.307 -0.309 0.222 1.00 0.00 O ATOM 620 CB LEU A 40 4.797 -2.810 -0.909 1.00 0.00 C ATOM 621 CG LEU A 40 5.647 -1.907 -0.014 1.00 0.00 C ATOM 622 CD1 LEU A 40 5.245 -2.065 1.451 1.00 0.00 C ATOM 623 CD2 LEU A 40 7.130 -2.235 -0.190 1.00 0.00 C ATOM 0 H LEU A 40 3.896 -0.191 -2.104 1.00 0.00 H new ATOM 0 HA LEU A 40 2.831 -2.887 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.549 -3.725 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.376 -3.103 -1.785 1.00 0.00 H new ATOM 0 HG LEU A 40 5.475 -0.872 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.862 -1.414 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.196 -1.793 1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.389 -3.101 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.725 -1.586 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.307 -3.276 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.416 -2.078 -1.230 1.00 0.00 H new ATOM 635 N ILE A 41 1.770 -1.990 0.296 1.00 0.00 N ATOM 636 CA ILE A 41 1.058 -1.369 1.406 1.00 0.00 C ATOM 637 C ILE A 41 1.633 -1.879 2.729 1.00 0.00 C ATOM 638 O ILE A 41 2.230 -2.945 2.804 1.00 0.00 O ATOM 639 CB ILE A 41 -0.425 -1.707 1.295 1.00 0.00 C ATOM 640 CG1 ILE A 41 -1.181 -1.283 2.552 1.00 0.00 C ATOM 641 CG2 ILE A 41 -0.595 -3.199 1.070 1.00 0.00 C ATOM 642 CD1 ILE A 41 -1.057 0.220 2.804 1.00 0.00 C ATOM 0 H ILE A 41 1.386 -2.872 -0.043 1.00 0.00 H new ATOM 0 HA ILE A 41 1.177 -0.286 1.372 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.839 -1.160 0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.233 -1.550 2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.794 -1.830 3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.656 -3.437 0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.089 -3.488 0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.162 -3.745 1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.608 0.484 3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.007 0.482 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.468 0.766 1.955 1.00 0.00 H new ATOM 654 N ARG A 42 1.413 -1.041 3.761 1.00 0.00 N ATOM 655 CA ARG A 42 1.914 -1.413 5.075 1.00 0.00 C ATOM 656 C ARG A 42 0.790 -1.308 6.103 1.00 0.00 C ATOM 657 O ARG A 42 -0.052 -0.419 6.055 1.00 0.00 O ATOM 658 CB ARG A 42 3.081 -0.504 5.463 1.00 0.00 C ATOM 659 CG ARG A 42 2.597 0.810 6.082 1.00 0.00 C ATOM 660 CD ARG A 42 2.452 0.707 7.603 1.00 0.00 C ATOM 661 NE ARG A 42 3.746 0.493 8.227 1.00 0.00 N ATOM 662 CZ ARG A 42 3.790 0.272 9.555 1.00 0.00 C ATOM 663 NH1 ARG A 42 2.666 0.246 10.265 1.00 0.00 N ATOM 664 NH2 ARG A 42 4.959 0.078 10.159 1.00 0.00 N ATOM 0 H ARG A 42 0.918 -0.151 3.708 1.00 0.00 H new ATOM 0 HA ARG A 42 2.270 -2.443 5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.726 -1.023 6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.684 -0.290 4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.300 1.607 5.838 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.638 1.086 5.644 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.001 1.619 7.993 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.781 -0.114 7.855 1.00 0.00 H new ATOM 0 HE ARG A 42 4.602 0.510 7.672 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.768 0.394 9.804 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.702 0.078 11.271 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.823 0.097 9.617 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.992 -0.089 11.165 1.00 0.00 H new ATOM 678 N ALA A 43 0.841 -2.279 7.033 1.00 0.00 N ATOM 679 CA ALA A 43 -0.166 -2.294 8.079 1.00 0.00 C ATOM 680 C ALA A 43 0.521 -2.153 9.437 1.00 0.00 C ATOM 681 O ALA A 43 1.741 -2.107 9.541 1.00 0.00 O ATOM 682 CB ALA A 43 -0.957 -3.598 8.009 1.00 0.00 C ATOM 0 H ALA A 43 1.537 -3.024 7.074 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.858 -1.462 7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.712 -3.608 8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.444 -3.677 7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.280 -4.442 8.146 1.00 0.00 H new ATOM 770 N TYR A 50 -2.334 2.346 8.602 1.00 0.00 N ATOM 771 CA TYR A 50 -1.845 1.762 7.363 1.00 0.00 C ATOM 772 C TYR A 50 -1.304 2.878 6.475 1.00 0.00 C ATOM 773 O TYR A 50 -1.806 3.994 6.473 1.00 0.00 O ATOM 774 CB TYR A 50 -2.981 1.028 6.645 1.00 0.00 C ATOM 775 CG TYR A 50 -3.658 0.031 7.541 1.00 0.00 C ATOM 776 CD1 TYR A 50 -4.669 0.451 8.441 1.00 0.00 C ATOM 777 CD2 TYR A 50 -3.305 -1.339 7.486 1.00 0.00 C ATOM 778 CE1 TYR A 50 -5.318 -0.487 9.274 1.00 0.00 C ATOM 779 CE2 TYR A 50 -3.954 -2.277 8.320 1.00 0.00 C ATOM 780 CZ TYR A 50 -4.961 -1.851 9.213 1.00 0.00 C ATOM 781 OH TYR A 50 -5.595 -2.767 10.027 1.00 0.00 O ATOM 0 HA TYR A 50 -1.053 1.046 7.581 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.714 1.752 6.289 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.585 0.517 5.767 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.945 1.494 8.490 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.536 -1.669 6.803 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.088 -0.160 9.958 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.679 -3.321 8.274 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.231 -3.661 9.859 1.00 0.00 H new ATOM 791 N ALA A 51 -0.249 2.510 5.727 1.00 0.00 N ATOM 792 CA ALA A 51 0.330 3.500 4.836 1.00 0.00 C ATOM 793 C ALA A 51 0.853 2.819 3.573 1.00 0.00 C ATOM 794 O ALA A 51 1.453 1.753 3.609 1.00 0.00 O ATOM 795 CB ALA A 51 1.451 4.253 5.547 1.00 0.00 C ATOM 0 H ALA A 51 0.191 1.590 5.725 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.438 4.218 4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.879 4.993 4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.050 4.755 6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.226 3.549 5.852 1.00 0.00 H new ATOM 801 N LEU A 52 0.583 3.523 2.460 1.00 0.00 N ATOM 802 CA LEU A 52 1.010 3.000 1.174 1.00 0.00 C ATOM 803 C LEU A 52 2.444 3.438 0.890 1.00 0.00 C ATOM 804 O LEU A 52 2.769 4.617 0.878 1.00 0.00 O ATOM 805 CB LEU A 52 0.068 3.521 0.092 1.00 0.00 C ATOM 806 CG LEU A 52 0.746 3.598 -1.276 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.207 2.211 -1.730 1.00 0.00 C ATOM 808 CD2 LEU A 52 -0.224 4.180 -2.299 1.00 0.00 C ATOM 0 H LEU A 52 0.092 4.417 2.432 1.00 0.00 H new ATOM 0 HA LEU A 52 0.979 1.911 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.804 2.870 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.293 4.510 0.373 1.00 0.00 H new ATOM 0 HG LEU A 52 1.620 4.244 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.687 2.288 -2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.917 1.809 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.346 1.546 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.263 4.233 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.105 3.542 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.524 5.181 -1.988 1.00 0.00 H new ATOM 820 N CYS A 53 3.269 2.405 0.654 1.00 0.00 N ATOM 821 CA CYS A 53 4.664 2.682 0.365 1.00 0.00 C ATOM 822 C CYS A 53 5.013 2.130 -0.996 1.00 0.00 C ATOM 823 O CYS A 53 4.886 0.947 -1.282 1.00 0.00 O ATOM 824 CB CYS A 53 5.559 2.072 1.442 1.00 0.00 C ATOM 825 SG CYS A 53 5.015 2.474 3.121 1.00 0.00 S ATOM 0 H CYS A 53 3.002 1.420 0.659 1.00 0.00 H new ATOM 0 HA CYS A 53 4.826 3.760 0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.578 0.989 1.321 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.580 2.426 1.302 1.00 0.00 H new ATOM 0 HG CYS A 53 5.807 3.370 3.631 1.00 0.00 H new ATOM 831 N LEU A 54 5.462 3.085 -1.810 1.00 0.00 N ATOM 832 CA LEU A 54 5.810 2.741 -3.146 1.00 0.00 C ATOM 833 C LEU A 54 7.060 3.526 -3.566 1.00 0.00 C ATOM 834 O LEU A 54 7.643 4.236 -2.762 1.00 0.00 O ATOM 835 CB LEU A 54 4.561 3.020 -3.970 1.00 0.00 C ATOM 836 CG LEU A 54 4.357 4.478 -4.454 1.00 0.00 C ATOM 837 CD1 LEU A 54 2.926 4.916 -4.147 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.322 5.481 -3.814 1.00 0.00 C ATOM 0 H LEU A 54 5.583 4.066 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 54 6.090 1.697 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.579 2.370 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.692 2.733 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 54 4.559 4.477 -5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.779 5.941 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.226 4.259 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.751 4.861 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.119 6.479 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.187 5.477 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.348 5.201 -4.052 1.00 0.00 H new ATOM 850 N LEU A 55 7.454 3.373 -4.850 1.00 0.00 N ATOM 851 CA LEU A 55 8.645 4.111 -5.251 1.00 0.00 C ATOM 852 C LEU A 55 8.393 4.934 -6.510 1.00 0.00 C ATOM 853 O LEU A 55 7.693 4.527 -7.430 1.00 0.00 O ATOM 854 CB LEU A 55 9.783 3.132 -5.481 1.00 0.00 C ATOM 855 CG LEU A 55 11.129 3.852 -5.625 1.00 0.00 C ATOM 856 CD1 LEU A 55 11.846 3.997 -4.291 1.00 0.00 C ATOM 857 CD2 LEU A 55 12.029 3.095 -6.582 1.00 0.00 C ATOM 0 H LEU A 55 7.005 2.797 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 55 8.910 4.806 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.833 2.430 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.585 2.548 -6.380 1.00 0.00 H new ATOM 0 HG LEU A 55 10.916 4.848 -6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.794 4.513 -4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.225 4.573 -3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.033 3.009 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.981 3.617 -6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.202 2.089 -6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.551 3.034 -7.560 1.00 0.00 H new ATOM 869 N HIS A 56 9.024 6.126 -6.474 1.00 0.00 N ATOM 870 CA HIS A 56 8.901 7.022 -7.608 1.00 0.00 C ATOM 871 C HIS A 56 9.878 6.585 -8.708 1.00 0.00 C ATOM 872 O HIS A 56 9.554 5.802 -9.589 1.00 0.00 O ATOM 873 CB HIS A 56 9.204 8.448 -7.153 1.00 0.00 C ATOM 874 CG HIS A 56 9.055 9.389 -8.325 1.00 0.00 C ATOM 875 ND1 HIS A 56 8.370 9.091 -9.450 1.00 0.00 N ATOM 876 CD2 HIS A 56 9.580 10.687 -8.463 1.00 0.00 C ATOM 877 CE1 HIS A 56 8.468 10.165 -10.250 1.00 0.00 C ATOM 878 NE2 HIS A 56 9.194 11.142 -9.677 1.00 0.00 N ATOM 0 H HIS A 56 9.596 6.467 -5.702 1.00 0.00 H new ATOM 0 HA HIS A 56 7.888 6.988 -8.008 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.525 8.738 -6.351 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.216 8.506 -6.751 1.00 0.00 H new ATOM 0 HD2 HIS A 56 10.178 11.219 -7.738 1.00 0.00 H new ATOM 0 HE1 HIS A 56 8.020 10.236 -11.230 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.412 12.053 -10.081 1.00 0.00 H new ATOM 886 N GLU A 57 11.091 7.156 -8.592 1.00 0.00 N ATOM 887 CA GLU A 57 12.133 6.830 -9.567 1.00 0.00 C ATOM 888 C GLU A 57 13.450 6.472 -8.853 1.00 0.00 C ATOM 889 O GLU A 57 14.505 6.346 -9.463 1.00 0.00 O ATOM 890 CB GLU A 57 12.358 8.041 -10.455 1.00 0.00 C ATOM 891 CG GLU A 57 11.038 8.663 -10.914 1.00 0.00 C ATOM 892 CD GLU A 57 10.999 8.730 -12.442 1.00 0.00 C ATOM 893 OE1 GLU A 57 11.184 7.695 -13.079 1.00 0.00 O ATOM 894 OE2 GLU A 57 10.783 9.817 -12.976 1.00 0.00 O ATOM 0 H GLU A 57 11.362 7.817 -7.864 1.00 0.00 H new ATOM 0 HA GLU A 57 11.816 5.972 -10.160 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.941 8.785 -9.913 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.944 7.749 -11.326 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.200 8.072 -10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.932 9.663 -10.494 1.00 0.00 H new ATOM 901 N GLY A 58 13.301 6.327 -7.529 1.00 0.00 N ATOM 902 CA GLY A 58 14.450 6.013 -6.696 1.00 0.00 C ATOM 903 C GLY A 58 14.392 6.795 -5.372 1.00 0.00 C ATOM 904 O GLY A 58 15.401 7.173 -4.789 1.00 0.00 O ATOM 0 H GLY A 58 12.416 6.421 -7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 58 14.475 4.943 -6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.369 6.257 -7.228 1.00 0.00 H new ATOM 908 N LYS A 59 13.130 6.997 -4.963 1.00 0.00 N ATOM 909 CA LYS A 59 12.853 7.698 -3.742 1.00 0.00 C ATOM 910 C LYS A 59 11.572 7.087 -3.213 1.00 0.00 C ATOM 911 O LYS A 59 10.474 7.378 -3.672 1.00 0.00 O ATOM 912 CB LYS A 59 12.670 9.185 -4.006 1.00 0.00 C ATOM 913 CG LYS A 59 13.754 9.734 -4.932 1.00 0.00 C ATOM 914 CD LYS A 59 13.361 9.596 -6.403 1.00 0.00 C ATOM 915 CE LYS A 59 14.211 10.500 -7.297 1.00 0.00 C ATOM 916 NZ LYS A 59 15.640 10.271 -7.122 1.00 0.00 N ATOM 0 H LYS A 59 12.304 6.680 -5.470 1.00 0.00 H new ATOM 0 HA LYS A 59 13.671 7.607 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.690 9.357 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.690 9.727 -3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.934 10.784 -4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.689 9.203 -4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.478 8.559 -6.716 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.308 9.849 -6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.944 10.330 -8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.983 11.543 -7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.166 10.779 -7.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.935 10.618 -6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.840 9.253 -7.192 1.00 0.00 H new ATOM 930 N VAL A 60 11.788 6.223 -2.227 1.00 0.00 N ATOM 931 CA VAL A 60 10.650 5.530 -1.679 1.00 0.00 C ATOM 932 C VAL A 60 9.733 6.522 -0.992 1.00 0.00 C ATOM 933 O VAL A 60 10.156 7.468 -0.339 1.00 0.00 O ATOM 934 CB VAL A 60 11.107 4.483 -0.675 1.00 0.00 C ATOM 935 CG1 VAL A 60 11.318 5.132 0.686 1.00 0.00 C ATOM 936 CG2 VAL A 60 10.068 3.371 -0.554 1.00 0.00 C ATOM 0 H VAL A 60 12.694 6.000 -1.815 1.00 0.00 H new ATOM 0 HA VAL A 60 10.114 5.036 -2.489 1.00 0.00 H new ATOM 0 HB VAL A 60 12.046 4.053 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.645 4.378 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.078 5.909 0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.382 5.574 1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.411 2.630 0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.121 3.793 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.930 2.895 -1.525 1.00 0.00 H new ATOM 946 N LEU A 61 8.455 6.211 -1.176 1.00 0.00 N ATOM 947 CA LEU A 61 7.443 7.054 -0.588 1.00 0.00 C ATOM 948 C LEU A 61 6.539 6.261 0.316 1.00 0.00 C ATOM 949 O LEU A 61 6.516 5.037 0.339 1.00 0.00 O ATOM 950 CB LEU A 61 6.616 7.716 -1.681 1.00 0.00 C ATOM 951 CG LEU A 61 7.534 8.349 -2.710 1.00 0.00 C ATOM 952 CD1 LEU A 61 6.742 9.146 -3.748 1.00 0.00 C ATOM 953 CD2 LEU A 61 8.531 9.235 -1.981 1.00 0.00 C ATOM 0 H LEU A 61 8.112 5.411 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 61 7.943 7.819 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.972 6.978 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.964 8.474 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 61 8.065 7.568 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.429 9.586 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.049 8.482 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.183 9.938 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.201 9.700 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.996 10.010 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.112 8.632 -1.284 1.00 0.00 H new ATOM 965 N HIS A 62 5.799 7.079 1.059 1.00 0.00 N ATOM 966 CA HIS A 62 4.846 6.513 1.991 1.00 0.00 C ATOM 967 C HIS A 62 3.625 7.431 2.035 1.00 0.00 C ATOM 968 O HIS A 62 3.735 8.643 1.951 1.00 0.00 O ATOM 969 CB HIS A 62 5.472 6.400 3.387 1.00 0.00 C ATOM 970 CG HIS A 62 6.774 5.626 3.330 1.00 0.00 C ATOM 971 ND1 HIS A 62 6.930 4.371 3.809 1.00 0.00 N ATOM 972 CD2 HIS A 62 8.014 6.057 2.825 1.00 0.00 C ATOM 973 CE1 HIS A 62 8.219 4.044 3.607 1.00 0.00 C ATOM 974 NE2 HIS A 62 8.893 5.045 3.013 1.00 0.00 N ATOM 0 H HIS A 62 5.840 8.098 1.034 1.00 0.00 H new ATOM 0 HA HIS A 62 4.555 5.513 1.669 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.653 7.396 3.791 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.777 5.903 4.063 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.225 7.015 2.373 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.657 3.097 3.886 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.879 5.042 2.753 1.00 0.00 H new ATOM 982 N TYR A 63 2.457 6.783 2.139 1.00 0.00 N ATOM 983 CA TYR A 63 1.248 7.567 2.208 1.00 0.00 C ATOM 984 C TYR A 63 0.400 7.064 3.367 1.00 0.00 C ATOM 985 O TYR A 63 0.114 5.884 3.478 1.00 0.00 O ATOM 986 CB TYR A 63 0.477 7.420 0.904 1.00 0.00 C ATOM 987 CG TYR A 63 1.158 8.134 -0.225 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.128 9.550 -0.315 1.00 0.00 C ATOM 989 CD2 TYR A 63 1.851 7.397 -1.216 1.00 0.00 C ATOM 990 CE1 TYR A 63 1.782 10.203 -1.374 1.00 0.00 C ATOM 991 CE2 TYR A 63 2.503 8.056 -2.274 1.00 0.00 C ATOM 992 CZ TYR A 63 2.470 9.461 -2.356 1.00 0.00 C ATOM 993 OH TYR A 63 3.108 10.109 -3.393 1.00 0.00 O ATOM 0 H TYR A 63 2.338 5.771 2.175 1.00 0.00 H new ATOM 0 HA TYR A 63 1.492 8.618 2.363 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.376 6.363 0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.531 7.816 1.030 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.602 10.127 0.431 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.879 6.319 -1.159 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.757 11.281 -1.436 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.029 7.484 -3.024 1.00 0.00 H new ATOM 0 HH TYR A 63 3.533 9.449 -3.979 1.00 0.00 H new ATOM 1003 N ARG A 64 0.023 8.027 4.223 1.00 0.00 N ATOM 1004 CA ARG A 64 -0.802 7.636 5.352 1.00 0.00 C ATOM 1005 C ARG A 64 -2.190 7.277 4.832 1.00 0.00 C ATOM 1006 O ARG A 64 -2.769 7.972 4.005 1.00 0.00 O ATOM 1007 CB ARG A 64 -0.891 8.760 6.386 1.00 0.00 C ATOM 1008 CG ARG A 64 -0.447 10.112 5.822 1.00 0.00 C ATOM 1009 CD ARG A 64 -0.583 11.225 6.861 1.00 0.00 C ATOM 1010 NE ARG A 64 0.283 10.963 7.996 1.00 0.00 N ATOM 1011 CZ ARG A 64 0.568 11.975 8.838 1.00 0.00 C ATOM 1012 NH1 ARG A 64 0.055 13.184 8.627 1.00 0.00 N ATOM 1013 NH2 ARG A 64 1.362 11.764 9.884 1.00 0.00 N ATOM 0 H ARG A 64 0.262 9.016 4.157 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.354 6.775 5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.917 8.839 6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.271 8.508 7.246 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.589 10.047 5.491 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.047 10.356 4.945 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.325 12.184 6.412 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.618 11.297 7.194 1.00 0.00 H new ATOM 0 HE ARG A 64 0.668 10.032 8.153 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.556 13.346 7.826 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.272 13.949 9.266 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.754 10.837 10.048 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.579 12.529 10.522 1.00 0.00 H new ATOM 1027 N ILE A 65 -2.681 6.153 5.377 1.00 0.00 N ATOM 1028 CA ILE A 65 -3.992 5.688 4.948 1.00 0.00 C ATOM 1029 C ILE A 65 -4.739 5.053 6.119 1.00 0.00 C ATOM 1030 O ILE A 65 -4.333 4.037 6.671 1.00 0.00 O ATOM 1031 CB ILE A 65 -3.825 4.661 3.828 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -3.516 5.353 2.500 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -5.085 3.804 3.691 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.269 4.770 1.842 1.00 0.00 C ATOM 0 H ILE A 65 -2.213 5.580 6.079 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.569 6.538 4.584 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.987 4.014 4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.367 5.247 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.374 6.420 2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.947 3.079 2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.271 3.278 4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.937 4.444 3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.080 5.286 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.414 4.899 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.422 3.708 1.650 1.00 0.00 H new ATOM 1046 N ASP A 66 -5.857 5.721 6.456 1.00 0.00 N ATOM 1047 CA ASP A 66 -6.675 5.201 7.531 1.00 0.00 C ATOM 1048 C ASP A 66 -8.128 5.572 7.281 1.00 0.00 C ATOM 1049 O ASP A 66 -8.472 6.275 6.341 1.00 0.00 O ATOM 1050 CB ASP A 66 -6.223 5.772 8.861 1.00 0.00 C ATOM 1051 CG ASP A 66 -6.836 4.970 10.011 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -6.806 3.742 9.951 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -7.336 5.582 10.953 1.00 0.00 O ATOM 0 H ASP A 66 -6.191 6.579 6.016 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.573 4.116 7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.135 5.745 8.927 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.521 6.818 8.937 1.00 0.00 H new ATOM 1058 N LYS A 67 -8.939 5.073 8.215 1.00 0.00 N ATOM 1059 CA LYS A 67 -10.361 5.322 8.117 1.00 0.00 C ATOM 1060 C LYS A 67 -10.756 6.430 9.087 1.00 0.00 C ATOM 1061 O LYS A 67 -9.943 7.238 9.519 1.00 0.00 O ATOM 1062 CB LYS A 67 -11.104 4.037 8.461 1.00 0.00 C ATOM 1063 CG LYS A 67 -10.738 3.556 9.862 1.00 0.00 C ATOM 1064 CD LYS A 67 -9.558 2.584 9.838 1.00 0.00 C ATOM 1065 CE LYS A 67 -10.024 1.144 9.624 1.00 0.00 C ATOM 1066 NZ LYS A 67 -10.797 0.639 10.753 1.00 0.00 N ATOM 0 H LYS A 67 -8.643 4.516 9.016 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.618 5.636 7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.179 4.206 8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.860 3.265 7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.490 4.413 10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.601 3.069 10.316 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.868 2.867 9.043 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.008 2.654 10.776 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.630 1.091 8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.156 0.504 9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.305 -0.175 11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.900 1.389 11.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.738 0.342 10.424 1.00 0.00 H new ATOM 1080 N ASP A 68 -12.063 6.403 9.396 1.00 0.00 N ATOM 1081 CA ASP A 68 -12.582 7.391 10.316 1.00 0.00 C ATOM 1082 C ASP A 68 -13.329 6.659 11.436 1.00 0.00 C ATOM 1083 O ASP A 68 -12.733 6.103 12.351 1.00 0.00 O ATOM 1084 CB ASP A 68 -13.504 8.341 9.557 1.00 0.00 C ATOM 1085 CG ASP A 68 -12.691 9.486 8.950 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -11.906 9.229 8.039 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -12.852 10.621 9.395 1.00 0.00 O ATOM 0 H ASP A 68 -12.742 5.734 9.034 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.779 7.981 10.757 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.029 7.800 8.770 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.263 8.740 10.230 1.00 0.00 H new ATOM 1092 N LYS A 69 -14.665 6.697 11.299 1.00 0.00 N ATOM 1093 CA LYS A 69 -15.487 6.007 12.287 1.00 0.00 C ATOM 1094 C LYS A 69 -16.541 5.151 11.574 1.00 0.00 C ATOM 1095 O LYS A 69 -17.575 4.795 12.127 1.00 0.00 O ATOM 1096 CB LYS A 69 -16.151 7.011 13.240 1.00 0.00 C ATOM 1097 CG LYS A 69 -15.919 8.468 12.822 1.00 0.00 C ATOM 1098 CD LYS A 69 -16.707 8.829 11.561 1.00 0.00 C ATOM 1099 CE LYS A 69 -18.215 8.812 11.814 1.00 0.00 C ATOM 1100 NZ LYS A 69 -18.981 9.147 10.619 1.00 0.00 N ATOM 0 H LYS A 69 -15.171 7.173 10.553 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.850 5.355 12.885 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -17.223 6.815 13.278 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.763 6.860 14.247 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.212 9.131 13.636 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.856 8.631 12.645 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.407 9.818 11.215 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.463 8.125 10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -18.511 7.824 12.167 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -18.456 9.519 12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -19.997 9.122 10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.720 10.100 10.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.773 8.457 9.869 1.00 0.00 H new ATOM 1114 N THR A 70 -16.192 4.853 10.314 1.00 0.00 N ATOM 1115 CA THR A 70 -17.046 4.036 9.497 1.00 0.00 C ATOM 1116 C THR A 70 -16.372 2.679 9.276 1.00 0.00 C ATOM 1117 O THR A 70 -17.015 1.656 9.076 1.00 0.00 O ATOM 1118 CB THR A 70 -17.210 4.753 8.167 1.00 0.00 C ATOM 1119 OG1 THR A 70 -18.347 5.579 8.209 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.315 3.778 7.008 1.00 0.00 C ATOM 0 H THR A 70 -15.334 5.168 9.861 1.00 0.00 H new ATOM 0 HA THR A 70 -18.015 3.875 9.969 1.00 0.00 H new ATOM 0 HB THR A 70 -16.320 5.361 8.003 1.00 0.00 H new ATOM 0 HG1 THR A 70 -18.448 6.041 7.350 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.431 4.332 6.076 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.411 3.172 6.960 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.179 3.130 7.155 1.00 0.00 H new ATOM 1128 N GLY A 71 -15.027 2.757 9.328 1.00 0.00 N ATOM 1129 CA GLY A 71 -14.251 1.558 9.108 1.00 0.00 C ATOM 1130 C GLY A 71 -13.626 1.510 7.704 1.00 0.00 C ATOM 1131 O GLY A 71 -12.843 0.627 7.375 1.00 0.00 O ATOM 0 H GLY A 71 -14.491 3.605 9.513 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.461 1.498 9.856 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -14.889 0.685 9.248 1.00 0.00 H new ATOM 1135 N LYS A 72 -14.029 2.514 6.915 1.00 0.00 N ATOM 1136 CA LYS A 72 -13.527 2.586 5.551 1.00 0.00 C ATOM 1137 C LYS A 72 -12.144 3.226 5.547 1.00 0.00 C ATOM 1138 O LYS A 72 -11.916 4.273 6.136 1.00 0.00 O ATOM 1139 CB LYS A 72 -14.492 3.398 4.685 1.00 0.00 C ATOM 1140 CG LYS A 72 -14.824 4.753 5.315 1.00 0.00 C ATOM 1141 CD LYS A 72 -13.849 5.841 4.863 1.00 0.00 C ATOM 1142 CE LYS A 72 -13.626 6.884 5.959 1.00 0.00 C ATOM 1143 NZ LYS A 72 -12.686 7.922 5.555 1.00 0.00 N ATOM 0 H LYS A 72 -14.674 3.256 7.188 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.451 1.580 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.052 3.554 3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.411 2.831 4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.840 5.040 5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.795 4.666 6.401 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.896 5.387 4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.236 6.329 3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.580 7.343 6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.254 6.390 6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.965 8.828 5.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.730 7.668 5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.692 8.012 4.519 1.00 0.00 H new ATOM 1157 N LEU A 73 -11.244 2.533 4.825 1.00 0.00 N ATOM 1158 CA LEU A 73 -9.889 3.036 4.742 1.00 0.00 C ATOM 1159 C LEU A 73 -9.859 4.159 3.712 1.00 0.00 C ATOM 1160 O LEU A 73 -10.423 4.054 2.633 1.00 0.00 O ATOM 1161 CB LEU A 73 -8.955 1.904 4.330 1.00 0.00 C ATOM 1162 CG LEU A 73 -8.859 0.825 5.409 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -8.055 -0.369 4.896 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -8.216 1.391 6.676 1.00 0.00 C ATOM 0 H LEU A 73 -11.430 1.667 4.319 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.559 3.420 5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.312 1.458 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.962 2.307 4.130 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.867 0.489 5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.995 -1.129 5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.546 -0.788 4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.050 -0.043 4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.156 0.610 7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.213 1.751 6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.820 2.216 7.053 1.00 0.00 H new ATOM 1176 N SER A 74 -9.163 5.231 4.113 1.00 0.00 N ATOM 1177 CA SER A 74 -9.088 6.373 3.222 1.00 0.00 C ATOM 1178 C SER A 74 -7.685 6.972 3.256 1.00 0.00 C ATOM 1179 O SER A 74 -6.738 6.386 3.765 1.00 0.00 O ATOM 1180 CB SER A 74 -10.123 7.411 3.649 1.00 0.00 C ATOM 1181 OG SER A 74 -10.145 8.492 2.751 1.00 0.00 O ATOM 0 H SER A 74 -8.671 5.323 5.002 1.00 0.00 H new ATOM 0 HA SER A 74 -9.300 6.055 2.201 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.110 6.950 3.695 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.892 7.770 4.652 1.00 0.00 H new ATOM 0 HG SER A 74 -9.963 8.168 1.844 1.00 0.00 H new ATOM 1187 N ILE A 75 -7.630 8.184 2.682 1.00 0.00 N ATOM 1188 CA ILE A 75 -6.357 8.880 2.627 1.00 0.00 C ATOM 1189 C ILE A 75 -6.611 10.379 2.778 1.00 0.00 C ATOM 1190 O ILE A 75 -7.568 10.924 2.241 1.00 0.00 O ATOM 1191 CB ILE A 75 -5.701 8.593 1.275 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -5.898 7.128 0.885 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -4.210 8.941 1.286 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -4.835 6.666 -0.114 1.00 0.00 C ATOM 0 H ILE A 75 -8.421 8.677 2.268 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.699 8.543 3.428 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.187 9.227 0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.856 6.504 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.889 6.996 0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.778 8.724 0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.085 10.000 1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.703 8.347 2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.006 5.620 -0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.895 7.274 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.846 6.774 0.331 1.00 0.00 H new ATOM 1206 N PRO A 76 -5.702 11.024 3.543 1.00 0.00 N ATOM 1207 CA PRO A 76 -5.777 12.451 3.777 1.00 0.00 C ATOM 1208 C PRO A 76 -5.927 13.212 2.466 1.00 0.00 C ATOM 1209 O PRO A 76 -6.883 13.943 2.237 1.00 0.00 O ATOM 1210 CB PRO A 76 -4.457 12.821 4.457 1.00 0.00 C ATOM 1211 CG PRO A 76 -3.729 11.504 4.776 1.00 0.00 C ATOM 1212 CD PRO A 76 -4.563 10.376 4.165 1.00 0.00 C ATOM 0 HA PRO A 76 -6.641 12.710 4.389 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.850 13.449 3.804 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.639 13.391 5.368 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.722 11.509 4.359 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.628 11.370 5.853 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.984 9.813 3.432 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.884 9.668 4.929 1.00 0.00 H new ATOM 1220 N GLU A 77 -4.908 12.980 1.631 1.00 0.00 N ATOM 1221 CA GLU A 77 -4.911 13.618 0.326 1.00 0.00 C ATOM 1222 C GLU A 77 -5.286 12.600 -0.771 1.00 0.00 C ATOM 1223 O GLU A 77 -5.815 12.956 -1.816 1.00 0.00 O ATOM 1224 CB GLU A 77 -3.539 14.232 0.061 1.00 0.00 C ATOM 1225 CG GLU A 77 -3.094 15.127 1.217 1.00 0.00 C ATOM 1226 CD GLU A 77 -1.892 14.502 1.927 1.00 0.00 C ATOM 1227 OE1 GLU A 77 -1.066 13.889 1.253 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -1.796 14.635 3.146 1.00 0.00 O ATOM 0 H GLU A 77 -4.107 12.381 1.829 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.659 14.410 0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.807 13.439 -0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.571 14.814 -0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.832 16.116 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.915 15.260 1.922 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.981 11.318 -0.462 1.00 0.00 N ATOM 1236 CA GLY A 78 -5.299 10.268 -1.422 1.00 0.00 C ATOM 1237 C GLY A 78 -6.791 10.283 -1.778 1.00 0.00 C ATOM 1238 O GLY A 78 -7.320 11.255 -2.304 1.00 0.00 O ATOM 0 H GLY A 78 -4.538 11.008 0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.704 10.404 -2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.030 9.297 -1.007 1.00 0.00 H new ATOM 1242 N LYS A 79 -7.426 9.137 -1.455 1.00 0.00 N ATOM 1243 CA LYS A 79 -8.845 9.022 -1.740 1.00 0.00 C ATOM 1244 C LYS A 79 -9.565 8.362 -0.560 1.00 0.00 C ATOM 1245 O LYS A 79 -9.269 8.598 0.605 1.00 0.00 O ATOM 1246 CB LYS A 79 -9.025 8.188 -3.006 1.00 0.00 C ATOM 1247 CG LYS A 79 -10.300 8.565 -3.759 1.00 0.00 C ATOM 1248 CD LYS A 79 -10.018 9.619 -4.829 1.00 0.00 C ATOM 1249 CE LYS A 79 -11.284 9.996 -5.597 1.00 0.00 C ATOM 1250 NZ LYS A 79 -11.024 10.971 -6.650 1.00 0.00 N ATOM 0 H LYS A 79 -6.993 8.323 -1.019 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.274 10.012 -1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.163 8.328 -3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.058 7.131 -2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.727 7.676 -4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.042 8.945 -3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.597 10.509 -4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.269 9.240 -5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.721 9.099 -6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.020 10.402 -4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.912 11.195 -7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.632 11.838 -6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.342 10.576 -7.329 1.00 0.00 H new ATOM 1264 N LYS A 80 -10.526 7.522 -0.968 1.00 0.00 N ATOM 1265 CA LYS A 80 -11.320 6.795 0.017 1.00 0.00 C ATOM 1266 C LYS A 80 -11.633 5.404 -0.539 1.00 0.00 C ATOM 1267 O LYS A 80 -11.868 5.229 -1.728 1.00 0.00 O ATOM 1268 CB LYS A 80 -12.608 7.565 0.306 1.00 0.00 C ATOM 1269 CG LYS A 80 -13.462 6.857 1.358 1.00 0.00 C ATOM 1270 CD LYS A 80 -14.780 7.594 1.600 1.00 0.00 C ATOM 1271 CE LYS A 80 -14.558 8.925 2.319 1.00 0.00 C ATOM 1272 NZ LYS A 80 -15.781 9.712 2.423 1.00 0.00 N ATOM 0 H LYS A 80 -10.764 7.336 -1.942 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.767 6.693 0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.363 8.569 0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.181 7.676 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.669 5.837 1.034 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.906 6.788 2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.277 7.773 0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.445 6.966 2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.166 8.734 3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.803 9.502 1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.579 10.604 2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.143 9.919 1.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.495 9.175 2.956 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.621 4.425 0.391 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.878 3.077 -0.043 1.00 0.00 C ATOM 1288 C PHE A 81 -12.455 2.229 1.091 1.00 0.00 C ATOM 1289 O PHE A 81 -12.502 2.624 2.253 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.565 2.491 -0.507 1.00 0.00 C ATOM 1291 CG PHE A 81 -10.092 3.169 -1.754 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.760 2.951 -2.982 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -8.977 4.042 -1.716 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -10.321 3.598 -4.158 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -8.537 4.688 -2.893 1.00 0.00 C ATOM 1296 CZ PHE A 81 -9.209 4.466 -4.114 1.00 0.00 C ATOM 0 H PHE A 81 -11.445 4.550 1.388 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.612 3.083 -0.849 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.816 2.599 0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.683 1.423 -0.691 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -11.610 2.286 -3.020 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.461 4.215 -0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.837 3.428 -5.092 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.686 5.352 -2.858 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.873 4.960 -5.014 1.00 0.00 H new ATOM 1306 N ASP A 82 -12.866 1.020 0.658 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.443 0.088 1.609 1.00 0.00 C ATOM 1308 C ASP A 82 -12.329 -0.677 2.321 1.00 0.00 C ATOM 1309 O ASP A 82 -12.250 -0.707 3.543 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.370 -0.878 0.875 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.010 -1.844 1.874 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -14.588 -1.860 3.029 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -15.924 -2.570 1.485 1.00 0.00 O ATOM 0 H ASP A 82 -12.808 0.688 -0.305 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.021 0.634 2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.144 -0.322 0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.809 -1.435 0.125 1.00 0.00 H new ATOM 1318 N THR A 83 -11.473 -1.293 1.479 1.00 0.00 N ATOM 1319 CA THR A 83 -10.380 -2.047 2.045 1.00 0.00 C ATOM 1320 C THR A 83 -9.144 -1.813 1.192 1.00 0.00 C ATOM 1321 O THR A 83 -9.190 -1.176 0.147 1.00 0.00 O ATOM 1322 CB THR A 83 -10.744 -3.530 2.077 1.00 0.00 C ATOM 1323 OG1 THR A 83 -10.845 -4.014 0.761 1.00 0.00 O ATOM 1324 CG2 THR A 83 -12.059 -3.775 2.815 1.00 0.00 C ATOM 0 H THR A 83 -11.525 -1.277 0.460 1.00 0.00 H new ATOM 0 HA THR A 83 -10.180 -1.724 3.067 1.00 0.00 H new ATOM 0 HB THR A 83 -9.957 -4.059 2.614 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.077 -4.966 0.779 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.283 -4.842 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.971 -3.422 3.843 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.863 -3.236 2.314 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.043 -2.367 1.707 1.00 0.00 N ATOM 1333 CA LEU A 84 -6.802 -2.227 1.012 1.00 0.00 C ATOM 1334 C LEU A 84 -6.831 -2.904 -0.356 1.00 0.00 C ATOM 1335 O LEU A 84 -5.894 -2.820 -1.133 1.00 0.00 O ATOM 1336 CB LEU A 84 -5.767 -2.892 1.886 1.00 0.00 C ATOM 1337 CG LEU A 84 -4.998 -1.907 2.756 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -3.929 -2.653 3.556 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -4.367 -0.808 1.901 1.00 0.00 C ATOM 0 H LEU A 84 -8.003 -2.897 2.577 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.586 -1.174 0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.257 -3.626 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.064 -3.437 1.256 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.691 -1.432 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.380 -1.946 4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.405 -3.401 4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.239 -3.145 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.823 -0.115 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.679 -1.255 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.149 -0.269 1.366 1.00 0.00 H new ATOM 1351 N TRP A 85 -7.957 -3.567 -0.588 1.00 0.00 N ATOM 1352 CA TRP A 85 -8.118 -4.258 -1.854 1.00 0.00 C ATOM 1353 C TRP A 85 -8.680 -3.302 -2.884 1.00 0.00 C ATOM 1354 O TRP A 85 -8.421 -3.399 -4.077 1.00 0.00 O ATOM 1355 CB TRP A 85 -9.095 -5.406 -1.660 1.00 0.00 C ATOM 1356 CG TRP A 85 -8.438 -6.713 -2.035 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -8.153 -7.127 -3.335 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -8.001 -7.747 -1.153 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -7.566 -8.359 -3.299 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -7.451 -8.783 -1.971 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -8.027 -7.882 0.230 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -6.937 -9.936 -1.396 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -7.505 -9.057 0.827 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -6.959 -10.085 0.013 1.00 0.00 C ATOM 0 H TRP A 85 -8.743 -3.639 0.058 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.154 -4.634 -2.195 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -9.426 -5.441 -0.622 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -9.982 -5.247 -2.273 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.364 -6.562 -4.231 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.259 -8.889 -4.115 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -8.442 -7.097 0.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -6.523 -10.715 -2.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -7.522 -9.171 1.901 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -6.561 -10.980 0.468 1.00 0.00 H new ATOM 1375 N GLN A 86 -9.461 -2.373 -2.331 1.00 0.00 N ATOM 1376 CA GLN A 86 -10.085 -1.405 -3.203 1.00 0.00 C ATOM 1377 C GLN A 86 -9.154 -0.239 -3.416 1.00 0.00 C ATOM 1378 O GLN A 86 -8.994 0.262 -4.512 1.00 0.00 O ATOM 1379 CB GLN A 86 -11.417 -0.949 -2.613 1.00 0.00 C ATOM 1380 CG GLN A 86 -12.439 -2.085 -2.592 1.00 0.00 C ATOM 1381 CD GLN A 86 -12.628 -2.638 -4.006 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -13.161 -1.981 -4.892 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -12.154 -3.888 -4.149 1.00 0.00 N ATOM 0 H GLN A 86 -9.664 -2.278 -1.336 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.287 -1.864 -4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.260 -0.581 -1.599 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.809 -0.116 -3.197 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.102 -2.877 -1.924 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.391 -1.723 -2.203 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -11.723 -4.364 -3.356 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.225 -4.360 -5.050 1.00 0.00 H new ATOM 1392 N LEU A 87 -8.537 0.155 -2.311 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.622 1.258 -2.439 1.00 0.00 C ATOM 1394 C LEU A 87 -6.428 0.853 -3.295 1.00 0.00 C ATOM 1395 O LEU A 87 -5.849 1.669 -3.992 1.00 0.00 O ATOM 1396 CB LEU A 87 -7.183 1.705 -1.045 1.00 0.00 C ATOM 1397 CG LEU A 87 -6.142 2.822 -1.089 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -5.964 3.428 0.302 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.803 2.291 -1.604 1.00 0.00 C ATOM 0 H LEU A 87 -8.646 -0.246 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.114 2.094 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.054 2.046 -0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.772 0.851 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.494 3.595 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.220 4.223 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.914 3.838 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.631 2.656 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.075 3.102 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.446 1.502 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.933 1.890 -2.609 1.00 0.00 H new ATOM 1411 N VAL A 88 -6.117 -0.453 -3.233 1.00 0.00 N ATOM 1412 CA VAL A 88 -5.001 -0.914 -3.993 1.00 0.00 C ATOM 1413 C VAL A 88 -5.407 -1.195 -5.419 1.00 0.00 C ATOM 1414 O VAL A 88 -4.699 -0.865 -6.348 1.00 0.00 O ATOM 1415 CB VAL A 88 -4.471 -2.182 -3.383 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -3.603 -2.885 -4.404 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.689 -1.874 -2.116 1.00 0.00 C ATOM 0 H VAL A 88 -6.610 -1.159 -2.686 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.234 -0.139 -3.986 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.298 -2.836 -3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.211 -3.807 -3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.197 -3.119 -5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.774 -2.235 -4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.312 -2.802 -1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.852 -1.219 -2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.342 -1.380 -1.396 1.00 0.00 H new ATOM 1427 N GLU A 89 -6.560 -1.866 -5.536 1.00 0.00 N ATOM 1428 CA GLU A 89 -6.981 -2.193 -6.881 1.00 0.00 C ATOM 1429 C GLU A 89 -7.278 -0.924 -7.643 1.00 0.00 C ATOM 1430 O GLU A 89 -6.915 -0.760 -8.802 1.00 0.00 O ATOM 1431 CB GLU A 89 -8.191 -3.087 -6.845 1.00 0.00 C ATOM 1432 CG GLU A 89 -9.398 -2.406 -6.234 1.00 0.00 C ATOM 1433 CD GLU A 89 -10.357 -1.945 -7.334 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -11.088 -2.781 -7.863 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -10.363 -0.756 -7.648 1.00 0.00 O ATOM 0 H GLU A 89 -7.169 -2.168 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.178 -2.727 -7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.433 -3.407 -7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.958 -3.986 -6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.910 -3.093 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.079 -1.551 -5.637 1.00 0.00 H new ATOM 1442 N HIS A 90 -7.960 -0.039 -6.917 1.00 0.00 N ATOM 1443 CA HIS A 90 -8.299 1.214 -7.558 1.00 0.00 C ATOM 1444 C HIS A 90 -7.038 1.875 -8.035 1.00 0.00 C ATOM 1445 O HIS A 90 -6.865 2.207 -9.194 1.00 0.00 O ATOM 1446 CB HIS A 90 -9.012 2.138 -6.590 1.00 0.00 C ATOM 1447 CG HIS A 90 -9.839 3.134 -7.368 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -11.127 2.935 -7.720 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -9.443 4.395 -7.848 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -11.511 4.033 -8.392 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -10.512 4.930 -8.482 1.00 0.00 N ATOM 0 H HIS A 90 -8.268 -0.157 -5.952 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.963 1.011 -8.398 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.651 1.561 -5.922 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.286 2.659 -5.966 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -8.470 4.850 -7.733 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -12.497 4.178 -8.808 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -10.553 5.840 -8.941 1.00 0.00 H new ATOM 1459 N TYR A 91 -6.187 2.055 -7.042 1.00 0.00 N ATOM 1460 CA TYR A 91 -4.918 2.681 -7.331 1.00 0.00 C ATOM 1461 C TYR A 91 -4.141 1.842 -8.344 1.00 0.00 C ATOM 1462 O TYR A 91 -3.276 2.339 -9.053 1.00 0.00 O ATOM 1463 CB TYR A 91 -4.134 2.877 -6.050 1.00 0.00 C ATOM 1464 CG TYR A 91 -4.518 4.184 -5.401 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -5.858 4.648 -5.475 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -3.559 4.970 -4.712 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -6.234 5.866 -4.873 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -3.941 6.195 -4.110 1.00 0.00 C ATOM 1469 CZ TYR A 91 -5.275 6.638 -4.190 1.00 0.00 C ATOM 1470 OH TYR A 91 -5.643 7.831 -3.600 1.00 0.00 O ATOM 0 H TYR A 91 -6.343 1.789 -6.070 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.088 3.663 -7.772 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -4.329 2.051 -5.366 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.065 2.869 -6.264 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.598 4.061 -5.999 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.535 4.634 -4.646 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -7.257 6.207 -4.936 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -3.206 6.790 -3.588 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.090 7.650 -2.747 1.00 0.00 H new ATOM 1480 N SER A 92 -4.491 0.538 -8.376 1.00 0.00 N ATOM 1481 CA SER A 92 -3.835 -0.305 -9.359 1.00 0.00 C ATOM 1482 C SER A 92 -4.154 0.225 -10.762 1.00 0.00 C ATOM 1483 O SER A 92 -3.534 -0.133 -11.755 1.00 0.00 O ATOM 1484 CB SER A 92 -4.371 -1.707 -9.211 1.00 0.00 C ATOM 1485 OG SER A 92 -3.338 -2.657 -9.282 1.00 0.00 O ATOM 0 H SER A 92 -5.176 0.084 -7.773 1.00 0.00 H new ATOM 0 HA SER A 92 -2.755 -0.302 -9.210 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.890 -1.802 -8.257 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.104 -1.903 -9.994 1.00 0.00 H new ATOM 0 HG SER A 92 -3.713 -3.557 -9.181 1.00 0.00 H new ATOM 1491 N TYR A 93 -5.170 1.105 -10.748 1.00 0.00 N ATOM 1492 CA TYR A 93 -5.621 1.703 -11.981 1.00 0.00 C ATOM 1493 C TYR A 93 -4.824 2.961 -12.229 1.00 0.00 C ATOM 1494 O TYR A 93 -4.191 3.147 -13.257 1.00 0.00 O ATOM 1495 CB TYR A 93 -7.091 2.084 -11.842 1.00 0.00 C ATOM 1496 CG TYR A 93 -7.951 0.929 -11.408 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -7.478 -0.404 -11.499 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -9.247 1.170 -10.896 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -8.291 -1.482 -11.084 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -10.063 0.092 -10.480 1.00 0.00 C ATOM 1501 CZ TYR A 93 -9.584 -1.234 -10.573 1.00 0.00 C ATOM 1502 OH TYR A 93 -10.377 -2.286 -10.159 1.00 0.00 O ATOM 0 H TYR A 93 -5.673 1.402 -9.911 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.491 0.999 -12.803 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.185 2.894 -11.119 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.455 2.465 -12.796 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.489 -0.597 -11.888 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.616 2.182 -10.822 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.924 -2.495 -11.157 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -11.052 0.283 -10.091 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.044 -1.961 -9.519 1.00 0.00 H new ATOM 1512 N LYS A 94 -4.978 3.825 -11.218 1.00 0.00 N ATOM 1513 CA LYS A 94 -4.307 5.088 -11.235 1.00 0.00 C ATOM 1514 C LYS A 94 -3.614 5.364 -9.918 1.00 0.00 C ATOM 1515 O LYS A 94 -3.641 4.596 -8.969 1.00 0.00 O ATOM 1516 CB LYS A 94 -5.359 6.146 -11.411 1.00 0.00 C ATOM 1517 CG LYS A 94 -6.513 5.932 -10.420 1.00 0.00 C ATOM 1518 CD LYS A 94 -7.665 6.902 -10.669 1.00 0.00 C ATOM 1519 CE LYS A 94 -8.633 6.353 -11.718 1.00 0.00 C ATOM 1520 NZ LYS A 94 -9.690 7.300 -12.051 1.00 0.00 N ATOM 0 H LYS A 94 -5.559 3.657 -10.396 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.565 5.084 -12.033 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.920 7.132 -11.259 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.740 6.121 -12.432 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.877 4.908 -10.502 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.145 6.059 -9.402 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.200 7.083 -9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.270 7.862 -11.002 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.079 6.099 -12.622 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.080 5.430 -11.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.319 6.881 -12.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.238 7.524 -11.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.268 8.172 -12.430 1.00 0.00 H new ATOM 1534 N ALA A 95 -3.008 6.543 -9.959 1.00 0.00 N ATOM 1535 CA ALA A 95 -2.320 7.031 -8.779 1.00 0.00 C ATOM 1536 C ALA A 95 -3.352 7.666 -7.841 1.00 0.00 C ATOM 1537 O ALA A 95 -3.362 7.441 -6.640 1.00 0.00 O ATOM 1538 CB ALA A 95 -1.261 8.053 -9.186 1.00 0.00 C ATOM 0 H ALA A 95 -2.979 7.160 -10.771 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.821 6.210 -8.265 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.746 8.417 -8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.540 7.583 -9.856 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.739 8.889 -9.696 1.00 0.00 H new ATOM 1544 N ASP A 96 -4.230 8.460 -8.484 1.00 0.00 N ATOM 1545 CA ASP A 96 -5.276 9.129 -7.711 1.00 0.00 C ATOM 1546 C ASP A 96 -4.709 10.286 -6.887 1.00 0.00 C ATOM 1547 O ASP A 96 -5.431 11.103 -6.329 1.00 0.00 O ATOM 1548 CB ASP A 96 -5.957 8.122 -6.806 1.00 0.00 C ATOM 1549 CG ASP A 96 -7.429 7.971 -7.198 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -8.000 8.926 -7.722 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -7.989 6.898 -6.974 1.00 0.00 O ATOM 0 H ASP A 96 -4.235 8.644 -9.487 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.004 9.547 -8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.453 7.158 -6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.881 8.445 -5.768 1.00 0.00 H new ATOM 1556 N GLY A 97 -3.382 10.288 -6.858 1.00 0.00 N ATOM 1557 CA GLY A 97 -2.691 11.328 -6.114 1.00 0.00 C ATOM 1558 C GLY A 97 -1.242 10.940 -5.776 1.00 0.00 C ATOM 1559 O GLY A 97 -0.415 11.783 -5.452 1.00 0.00 O ATOM 0 H GLY A 97 -2.782 9.607 -7.323 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.691 12.249 -6.696 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.234 11.534 -5.192 1.00 0.00 H new ATOM 1563 N LEU A 98 -0.993 9.617 -5.870 1.00 0.00 N ATOM 1564 CA LEU A 98 0.340 9.141 -5.566 1.00 0.00 C ATOM 1565 C LEU A 98 1.347 9.897 -6.419 1.00 0.00 C ATOM 1566 O LEU A 98 1.063 10.936 -7.002 1.00 0.00 O ATOM 1567 CB LEU A 98 0.433 7.663 -5.918 1.00 0.00 C ATOM 1568 CG LEU A 98 -0.688 6.862 -5.290 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -0.757 5.476 -5.909 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -0.477 6.781 -3.782 1.00 0.00 C ATOM 0 H LEU A 98 -1.670 8.904 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 98 0.549 9.294 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.401 7.545 -7.001 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.393 7.269 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.639 7.360 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.567 4.911 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.940 5.564 -6.980 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.187 4.956 -5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.285 6.204 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.476 6.295 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.471 7.786 -3.361 1.00 0.00 H new ATOM 1582 N LEU A 99 2.539 9.287 -6.457 1.00 0.00 N ATOM 1583 CA LEU A 99 3.578 9.851 -7.291 1.00 0.00 C ATOM 1584 C LEU A 99 3.271 9.438 -8.735 1.00 0.00 C ATOM 1585 O LEU A 99 3.333 10.226 -9.672 1.00 0.00 O ATOM 1586 CB LEU A 99 4.934 9.314 -6.845 1.00 0.00 C ATOM 1587 CG LEU A 99 6.029 10.369 -6.983 1.00 0.00 C ATOM 1588 CD1 LEU A 99 6.083 10.896 -8.412 1.00 0.00 C ATOM 1589 CD2 LEU A 99 5.789 11.517 -6.001 1.00 0.00 C ATOM 0 H LEU A 99 2.790 8.443 -5.942 1.00 0.00 H new ATOM 0 HA LEU A 99 3.609 10.938 -7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.873 8.986 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.194 8.439 -7.441 1.00 0.00 H new ATOM 0 HG LEU A 99 6.987 9.906 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.869 11.647 -8.493 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.295 10.074 -9.095 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.124 11.345 -8.671 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.578 12.261 -6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.824 11.978 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.794 11.131 -4.982 1.00 0.00 H new ATOM 1601 N ARG A 100 2.929 8.136 -8.824 1.00 0.00 N ATOM 1602 CA ARG A 100 2.570 7.565 -10.100 1.00 0.00 C ATOM 1603 C ARG A 100 1.717 6.325 -9.835 1.00 0.00 C ATOM 1604 O ARG A 100 1.790 5.710 -8.778 1.00 0.00 O ATOM 1605 CB ARG A 100 3.831 7.178 -10.849 1.00 0.00 C ATOM 1606 CG ARG A 100 3.581 7.011 -12.349 1.00 0.00 C ATOM 1607 CD ARG A 100 3.917 8.287 -13.122 1.00 0.00 C ATOM 1608 NE ARG A 100 4.060 7.993 -14.538 1.00 0.00 N ATOM 1609 CZ ARG A 100 2.970 7.622 -15.235 1.00 0.00 C ATOM 1610 NH1 ARG A 100 1.788 7.538 -14.629 1.00 0.00 N ATOM 1611 NH2 ARG A 100 3.073 7.340 -16.531 1.00 0.00 N ATOM 0 H ARG A 100 2.899 7.488 -8.037 1.00 0.00 H new ATOM 0 HA ARG A 100 2.012 8.282 -10.702 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.594 7.940 -10.692 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.223 6.246 -10.441 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.183 6.186 -12.729 1.00 0.00 H new ATOM 0 HG3 ARG A 100 2.537 6.748 -12.517 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.131 9.028 -12.975 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.840 8.721 -12.738 1.00 0.00 H new ATOM 0 HE ARG A 100 4.969 8.066 -14.995 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.708 7.755 -13.636 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.963 7.257 -15.158 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.978 7.405 -16.997 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.247 7.059 -17.059 1.00 0.00 H new ATOM 1625 N VAL A 101 0.911 6.000 -10.853 1.00 0.00 N ATOM 1626 CA VAL A 101 0.066 4.844 -10.727 1.00 0.00 C ATOM 1627 C VAL A 101 0.891 3.652 -10.241 1.00 0.00 C ATOM 1628 O VAL A 101 2.109 3.706 -10.120 1.00 0.00 O ATOM 1629 CB VAL A 101 -0.487 4.513 -12.095 1.00 0.00 C ATOM 1630 CG1 VAL A 101 -1.700 3.634 -11.957 1.00 0.00 C ATOM 1631 CG2 VAL A 101 -0.835 5.783 -12.878 1.00 0.00 C ATOM 0 H VAL A 101 0.837 6.509 -11.734 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.736 5.048 -10.017 1.00 0.00 H new ATOM 0 HB VAL A 101 0.282 3.979 -12.654 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.094 3.399 -12.946 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.424 2.711 -11.448 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.462 4.154 -11.377 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.230 5.510 -13.857 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.585 6.354 -12.330 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.062 6.390 -13.005 1.00 0.00 H new ATOM 1641 N LEU A 102 0.131 2.579 -9.980 1.00 0.00 N ATOM 1642 CA LEU A 102 0.764 1.338 -9.571 1.00 0.00 C ATOM 1643 C LEU A 102 0.771 0.399 -10.757 1.00 0.00 C ATOM 1644 O LEU A 102 -0.009 0.522 -11.694 1.00 0.00 O ATOM 1645 CB LEU A 102 -0.023 0.686 -8.453 1.00 0.00 C ATOM 1646 CG LEU A 102 0.142 1.403 -7.119 1.00 0.00 C ATOM 1647 CD1 LEU A 102 0.028 2.910 -7.280 1.00 0.00 C ATOM 1648 CD2 LEU A 102 -0.907 0.902 -6.129 1.00 0.00 C ATOM 0 H LEU A 102 -0.887 2.552 -10.044 1.00 0.00 H new ATOM 0 HA LEU A 102 1.775 1.547 -9.223 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.079 0.667 -8.722 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.298 -0.350 -8.345 1.00 0.00 H new ATOM 0 HG LEU A 102 1.139 1.182 -6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.151 3.390 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.804 3.263 -7.960 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.952 3.159 -7.687 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.784 1.418 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.904 1.100 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.783 -0.170 -5.979 1.00 0.00 H new ATOM 1660 N THR A 103 1.702 -0.542 -10.647 1.00 0.00 N ATOM 1661 CA THR A 103 1.823 -1.508 -11.694 1.00 0.00 C ATOM 1662 C THR A 103 2.345 -2.842 -11.134 1.00 0.00 C ATOM 1663 O THR A 103 2.019 -3.912 -11.634 1.00 0.00 O ATOM 1664 CB THR A 103 2.767 -0.924 -12.731 1.00 0.00 C ATOM 1665 OG1 THR A 103 2.026 -0.207 -13.687 1.00 0.00 O ATOM 1666 CG2 THR A 103 3.587 -1.991 -13.418 1.00 0.00 C ATOM 0 H THR A 103 2.354 -0.644 -9.869 1.00 0.00 H new ATOM 0 HA THR A 103 0.856 -1.721 -12.150 1.00 0.00 H new ATOM 0 HB THR A 103 3.460 -0.260 -12.214 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.204 0.133 -13.276 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.247 -1.527 -14.151 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.184 -2.524 -12.678 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.922 -2.693 -13.922 1.00 0.00 H new ATOM 1674 N VAL A 104 3.169 -2.714 -10.071 1.00 0.00 N ATOM 1675 CA VAL A 104 3.724 -3.934 -9.490 1.00 0.00 C ATOM 1676 C VAL A 104 3.815 -3.855 -7.971 1.00 0.00 C ATOM 1677 O VAL A 104 4.064 -2.805 -7.396 1.00 0.00 O ATOM 1678 CB VAL A 104 5.149 -4.119 -9.990 1.00 0.00 C ATOM 1679 CG1 VAL A 104 5.589 -5.576 -9.844 1.00 0.00 C ATOM 1680 CG2 VAL A 104 5.303 -3.665 -11.437 1.00 0.00 C ATOM 0 H VAL A 104 3.445 -1.837 -9.629 1.00 0.00 H new ATOM 0 HA VAL A 104 3.065 -4.752 -9.779 1.00 0.00 H new ATOM 0 HB VAL A 104 5.793 -3.492 -9.373 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.611 -5.686 -10.207 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.544 -5.866 -8.794 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.926 -6.216 -10.426 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.334 -3.813 -11.757 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.638 -4.248 -12.074 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.047 -2.608 -11.516 1.00 0.00 H new ATOM 1690 N PRO A 105 3.603 -5.042 -7.342 1.00 0.00 N ATOM 1691 CA PRO A 105 3.771 -5.189 -5.911 1.00 0.00 C ATOM 1692 C PRO A 105 5.269 -5.177 -5.610 1.00 0.00 C ATOM 1693 O PRO A 105 6.069 -5.714 -6.367 1.00 0.00 O ATOM 1694 CB PRO A 105 3.153 -6.536 -5.547 1.00 0.00 C ATOM 1695 CG PRO A 105 2.795 -7.233 -6.872 1.00 0.00 C ATOM 1696 CD PRO A 105 3.087 -6.231 -7.998 1.00 0.00 C ATOM 0 HA PRO A 105 3.297 -4.391 -5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.853 -7.139 -4.970 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.265 -6.400 -4.929 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.384 -8.141 -7.002 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.746 -7.529 -6.881 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.813 -6.635 -8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.184 -6.005 -8.565 1.00 0.00 H new ATOM 1704 N CYS A 106 5.610 -4.540 -4.490 1.00 0.00 N ATOM 1705 CA CYS A 106 7.032 -4.425 -4.215 1.00 0.00 C ATOM 1706 C CYS A 106 7.581 -5.585 -3.399 1.00 0.00 C ATOM 1707 O CYS A 106 8.493 -6.282 -3.825 1.00 0.00 O ATOM 1708 CB CYS A 106 7.319 -3.112 -3.516 1.00 0.00 C ATOM 1709 SG CYS A 106 8.986 -2.511 -3.870 1.00 0.00 S ATOM 0 H CYS A 106 4.974 -4.126 -3.808 1.00 0.00 H new ATOM 0 HA CYS A 106 7.542 -4.455 -5.178 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.590 -2.366 -3.831 1.00 0.00 H new ATOM 0 HB3 CYS A 106 7.200 -3.240 -2.440 1.00 0.00 H new ATOM 0 HG CYS A 106 8.916 -1.458 -4.629 1.00 0.00 H new ATOM 1715 N GLN A 107 6.994 -5.739 -2.202 1.00 0.00 N ATOM 1716 CA GLN A 107 7.478 -6.774 -1.332 1.00 0.00 C ATOM 1717 C GLN A 107 7.839 -8.025 -2.100 1.00 0.00 C ATOM 1718 O GLN A 107 7.454 -8.255 -3.240 1.00 0.00 O ATOM 1719 CB GLN A 107 6.446 -7.076 -0.283 1.00 0.00 C ATOM 1720 CG GLN A 107 7.088 -7.200 1.089 1.00 0.00 C ATOM 1721 CD GLN A 107 7.785 -8.552 1.241 1.00 0.00 C ATOM 1722 OE1 GLN A 107 8.930 -8.646 1.665 1.00 0.00 O ATOM 1723 NE2 GLN A 107 7.015 -9.588 0.865 1.00 0.00 N ATOM 0 H GLN A 107 6.220 -5.179 -1.843 1.00 0.00 H new ATOM 0 HA GLN A 107 8.388 -6.417 -0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.695 -6.286 -0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.929 -8.003 -0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.809 -6.396 1.232 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.328 -7.088 1.863 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.069 -9.422 0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.377 -10.540 0.923 1.00 0.00 H new ATOM 1857 N GLU B 3 4.439 11.056 1.755 1.00 0.00 N ATOM 1858 CA GLU B 3 4.375 11.890 0.570 1.00 0.00 C ATOM 1859 C GLU B 3 3.001 12.529 0.542 1.00 0.00 C ATOM 1860 O GLU B 3 2.215 12.389 1.471 1.00 0.00 O ATOM 1861 CB GLU B 3 4.612 11.076 -0.691 1.00 0.00 C ATOM 1862 CG GLU B 3 6.038 11.252 -1.177 1.00 0.00 C ATOM 1863 CD GLU B 3 6.057 12.095 -2.454 1.00 0.00 C ATOM 1864 OE1 GLU B 3 5.130 12.878 -2.655 1.00 0.00 O ATOM 1865 OE2 GLU B 3 6.999 11.957 -3.234 1.00 0.00 O ATOM 0 HA GLU B 3 5.155 12.651 0.605 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.417 10.022 -0.493 1.00 0.00 H new ATOM 0 HB3 GLU B 3 3.915 11.388 -1.469 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.637 11.734 -0.404 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.488 10.278 -1.368 1.00 0.00 H new ATOM 1872 N THR B 4 2.750 13.234 -0.568 1.00 0.00 N ATOM 1873 CA THR B 4 1.453 13.858 -0.667 1.00 0.00 C ATOM 1874 C THR B 4 0.700 13.295 -1.853 1.00 0.00 C ATOM 1875 O THR B 4 0.962 13.582 -3.015 1.00 0.00 O ATOM 1876 CB THR B 4 1.601 15.368 -0.764 1.00 0.00 C ATOM 1877 OG1 THR B 4 2.845 15.688 -1.342 1.00 0.00 O ATOM 1878 CG2 THR B 4 1.486 16.039 0.605 1.00 0.00 C ATOM 0 H THR B 4 3.386 13.374 -1.353 1.00 0.00 H new ATOM 0 HA THR B 4 0.877 13.640 0.232 1.00 0.00 H new ATOM 0 HB THR B 4 0.790 15.741 -1.390 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.936 16.662 -1.404 1.00 0.00 H new ATOM 0 HG21 THR B 4 1.597 17.117 0.492 1.00 0.00 H new ATOM 0 HG22 THR B 4 0.510 15.818 1.038 1.00 0.00 H new ATOM 0 HG23 THR B 4 2.268 15.660 1.263 1.00 0.00 H new ATOM 1886 N LEU B 5 -0.256 12.467 -1.436 1.00 0.00 N ATOM 1887 CA LEU B 5 -1.090 11.794 -2.377 1.00 0.00 C ATOM 1888 C LEU B 5 -1.984 12.807 -3.102 1.00 0.00 C ATOM 1889 O LEU B 5 -1.691 13.250 -4.205 1.00 0.00 O ATOM 1890 CB LEU B 5 -1.891 10.761 -1.604 1.00 0.00 C ATOM 1891 CG LEU B 5 -1.597 9.397 -2.163 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.905 8.308 -1.162 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -2.411 9.196 -3.408 1.00 0.00 C ATOM 0 H LEU B 5 -0.456 12.260 -0.457 1.00 0.00 H new ATOM 0 HA LEU B 5 -0.507 11.292 -3.149 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.632 10.798 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.957 10.977 -1.679 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.534 9.337 -2.394 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.680 7.336 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.297 8.452 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.960 8.349 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.205 8.209 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.471 9.274 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -2.149 9.959 -4.141 1.00 0.00 H new