USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=21 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 33 SER OG : rot 62:sc= -3.3! USER MOD Set 1.2: A 106 CYS SG : rot -33:sc= -15.2! USER MOD Set 2.1: A 53 CYS SG : rot -125:sc= -0.616 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -5.76! C(o=-6.4!,f=-20!) USER MOD Set 3.1: A 36 ASN : amide:sc= -8.84! C(o=-14!,f=-19!) USER MOD Set 3.2: A 56 HIS : no HE2:sc= -5.21 K(o=-14,f=-16!) USER MOD Set 3.3: A 59 LYS NZ :NH3+ 162:sc= 0 (180deg=0) USER MOD Set 4.1: A 17 HIS : no HD1:sc= -3.22! C(o=-8.8!,f=-14!) USER MOD Set 4.2: A 107 GLN : amide:sc= -5.56! C(o=-8.8!,f=-21!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.3) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 38 LYS NZ :NH3+ 143:sc= -0.661 (180deg=-4.4!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -149:sc= -0.223 (180deg=-1.07) USER MOD Single : A 69 LYS NZ :NH3+ -154:sc= -0.0758 (180deg=-0.497) USER MOD Single : A 70 THR OG1 : rot 67:sc= 0.0124 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 170:sc= -0.848 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -172:sc= -0.555 (180deg=-1.26) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -1.77 K(o=-1.8,f=-4.2!) USER MOD Single : A 90 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-1.1) USER MOD Single : A 91 TYR OH : rot -120:sc= -1.04 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.303 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 30:sc= 0.479 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0.003 USER MOD ----------------------------------------------------------------- ATOM 209 N TRP A 15 2.499 -7.272 -2.337 1.00 0.00 N ATOM 210 CA TRP A 15 2.286 -5.841 -2.178 1.00 0.00 C ATOM 211 C TRP A 15 1.268 -5.553 -1.064 1.00 0.00 C ATOM 212 O TRP A 15 0.843 -4.422 -0.878 1.00 0.00 O ATOM 213 CB TRP A 15 1.832 -5.198 -3.503 1.00 0.00 C ATOM 214 CG TRP A 15 0.850 -6.073 -4.272 1.00 0.00 C ATOM 215 CD1 TRP A 15 0.060 -7.091 -3.747 1.00 0.00 C ATOM 216 CD2 TRP A 15 0.564 -6.000 -5.671 1.00 0.00 C ATOM 217 NE1 TRP A 15 -0.698 -7.640 -4.743 1.00 0.00 N ATOM 218 CE2 TRP A 15 -0.419 -6.997 -5.951 1.00 0.00 C ATOM 219 CE3 TRP A 15 1.049 -5.187 -6.686 1.00 0.00 C ATOM 220 CZ2 TRP A 15 -0.903 -7.167 -7.241 1.00 0.00 C ATOM 221 CZ3 TRP A 15 0.563 -5.352 -8.008 1.00 0.00 C ATOM 222 CH2 TRP A 15 -0.414 -6.343 -8.286 1.00 0.00 C ATOM 0 HA TRP A 15 3.239 -5.396 -1.891 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.368 -4.234 -3.295 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.705 -5.004 -4.126 1.00 0.00 H new ATOM 0 HD1 TRP A 15 0.048 -7.400 -2.712 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -1.365 -8.402 -4.623 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.792 -4.433 -6.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -1.647 -7.922 -7.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 0.936 -4.724 -8.803 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.785 -6.469 -9.293 1.00 0.00 H new ATOM 233 N PHE A 16 0.907 -6.627 -0.329 1.00 0.00 N ATOM 234 CA PHE A 16 -0.039 -6.422 0.744 1.00 0.00 C ATOM 235 C PHE A 16 0.361 -7.210 1.982 1.00 0.00 C ATOM 236 O PHE A 16 -0.057 -8.342 2.195 1.00 0.00 O ATOM 237 CB PHE A 16 -1.423 -6.845 0.296 1.00 0.00 C ATOM 238 CG PHE A 16 -2.441 -6.435 1.324 1.00 0.00 C ATOM 239 CD1 PHE A 16 -2.682 -7.260 2.452 1.00 0.00 C ATOM 240 CD2 PHE A 16 -3.135 -5.204 1.209 1.00 0.00 C ATOM 241 CE1 PHE A 16 -3.598 -6.861 3.451 1.00 0.00 C ATOM 242 CE2 PHE A 16 -4.053 -4.807 2.210 1.00 0.00 C ATOM 243 CZ PHE A 16 -4.284 -5.635 3.328 1.00 0.00 C ATOM 0 H PHE A 16 1.242 -7.582 -0.459 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.044 -5.362 0.997 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.659 -6.388 -0.665 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.454 -7.925 0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.161 -8.201 2.548 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.962 -4.567 0.354 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.773 -7.494 4.308 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.578 -3.868 2.118 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.986 -5.330 4.090 1.00 0.00 H new ATOM 253 N HIS A 17 1.200 -6.537 2.776 1.00 0.00 N ATOM 254 CA HIS A 17 1.614 -7.151 4.016 1.00 0.00 C ATOM 255 C HIS A 17 1.106 -6.294 5.161 1.00 0.00 C ATOM 256 O HIS A 17 1.482 -5.139 5.323 1.00 0.00 O ATOM 257 CB HIS A 17 3.125 -7.250 4.086 1.00 0.00 C ATOM 258 CG HIS A 17 3.578 -8.563 3.493 1.00 0.00 C ATOM 259 ND1 HIS A 17 4.256 -9.508 4.181 1.00 0.00 N ATOM 260 CD2 HIS A 17 3.384 -9.031 2.183 1.00 0.00 C ATOM 261 CE1 HIS A 17 4.471 -10.521 3.324 1.00 0.00 C ATOM 262 NE2 HIS A 17 3.955 -10.257 2.112 1.00 0.00 N ATOM 0 H HIS A 17 1.584 -5.611 2.586 1.00 0.00 H new ATOM 0 HA HIS A 17 1.205 -8.159 4.079 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.579 -6.420 3.545 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.456 -7.174 5.122 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.876 -8.512 1.384 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.993 -11.432 3.578 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.987 -10.865 1.293 1.00 0.00 H new ATOM 353 N GLU A 23 10.456 0.444 7.793 1.00 0.00 N ATOM 354 CA GLU A 23 11.763 0.498 7.200 1.00 0.00 C ATOM 355 C GLU A 23 11.999 -0.811 6.467 1.00 0.00 C ATOM 356 O GLU A 23 12.473 -0.863 5.342 1.00 0.00 O ATOM 357 CB GLU A 23 12.768 0.673 8.331 1.00 0.00 C ATOM 358 CG GLU A 23 13.279 -0.650 8.894 1.00 0.00 C ATOM 359 CD GLU A 23 14.384 -0.387 9.920 1.00 0.00 C ATOM 360 OE1 GLU A 23 15.418 0.160 9.540 1.00 0.00 O ATOM 361 OE2 GLU A 23 14.197 -0.730 11.086 1.00 0.00 O ATOM 0 HA GLU A 23 11.863 1.322 6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.614 1.257 7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.305 1.247 9.134 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.460 -1.197 9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.661 -1.275 8.087 1.00 0.00 H new ATOM 368 N GLU A 24 11.624 -1.858 7.212 1.00 0.00 N ATOM 369 CA GLU A 24 11.764 -3.197 6.675 1.00 0.00 C ATOM 370 C GLU A 24 11.158 -3.267 5.266 1.00 0.00 C ATOM 371 O GLU A 24 11.654 -3.962 4.387 1.00 0.00 O ATOM 372 CB GLU A 24 11.069 -4.179 7.609 1.00 0.00 C ATOM 373 CG GLU A 24 11.685 -4.151 9.009 1.00 0.00 C ATOM 374 CD GLU A 24 10.957 -5.141 9.921 1.00 0.00 C ATOM 375 OE1 GLU A 24 10.085 -5.858 9.432 1.00 0.00 O ATOM 376 OE2 GLU A 24 11.272 -5.183 11.109 1.00 0.00 O ATOM 0 H GLU A 24 11.236 -1.800 8.154 1.00 0.00 H new ATOM 0 HA GLU A 24 12.820 -3.457 6.601 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.009 -3.935 7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.141 -5.186 7.199 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.744 -4.405 8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.619 -3.145 9.424 1.00 0.00 H new ATOM 383 N SER A 25 10.065 -2.493 5.112 1.00 0.00 N ATOM 384 CA SER A 25 9.387 -2.482 3.821 1.00 0.00 C ATOM 385 C SER A 25 10.087 -1.538 2.831 1.00 0.00 C ATOM 386 O SER A 25 10.028 -1.723 1.621 1.00 0.00 O ATOM 387 CB SER A 25 7.941 -2.039 4.029 1.00 0.00 C ATOM 388 OG SER A 25 7.869 -0.645 4.189 1.00 0.00 O ATOM 0 H SER A 25 9.656 -1.898 5.832 1.00 0.00 H new ATOM 0 HA SER A 25 9.417 -3.486 3.399 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.335 -2.344 3.176 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.526 -2.533 4.908 1.00 0.00 H new ATOM 0 HG SER A 25 6.935 -0.379 4.319 1.00 0.00 H new ATOM 394 N GLU A 26 10.745 -0.521 3.418 1.00 0.00 N ATOM 395 CA GLU A 26 11.423 0.448 2.593 1.00 0.00 C ATOM 396 C GLU A 26 12.793 -0.080 2.133 1.00 0.00 C ATOM 397 O GLU A 26 13.333 0.341 1.116 1.00 0.00 O ATOM 398 CB GLU A 26 11.549 1.723 3.420 1.00 0.00 C ATOM 399 CG GLU A 26 12.921 2.362 3.283 1.00 0.00 C ATOM 400 CD GLU A 26 13.047 3.547 4.243 1.00 0.00 C ATOM 401 OE1 GLU A 26 12.017 4.074 4.663 1.00 0.00 O ATOM 402 OE2 GLU A 26 14.172 3.929 4.561 1.00 0.00 O ATOM 0 H GLU A 26 10.811 -0.366 4.424 1.00 0.00 H new ATOM 0 HA GLU A 26 10.861 0.648 1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.785 2.435 3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.360 1.494 4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.696 1.626 3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.074 2.697 2.257 1.00 0.00 H new ATOM 409 N GLN A 27 13.311 -1.026 2.936 1.00 0.00 N ATOM 410 CA GLN A 27 14.591 -1.617 2.574 1.00 0.00 C ATOM 411 C GLN A 27 14.306 -2.654 1.493 1.00 0.00 C ATOM 412 O GLN A 27 15.115 -2.944 0.626 1.00 0.00 O ATOM 413 CB GLN A 27 15.251 -2.259 3.793 1.00 0.00 C ATOM 414 CG GLN A 27 14.320 -3.260 4.474 1.00 0.00 C ATOM 415 CD GLN A 27 15.052 -3.950 5.626 1.00 0.00 C ATOM 416 OE1 GLN A 27 15.376 -5.131 5.573 1.00 0.00 O ATOM 417 NE2 GLN A 27 15.287 -3.130 6.666 1.00 0.00 N ATOM 0 H GLN A 27 12.884 -1.377 3.793 1.00 0.00 H new ATOM 0 HA GLN A 27 15.283 -0.860 2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 27 16.168 -2.763 3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.535 -1.484 4.504 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.434 -2.749 4.849 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.979 -4.002 3.752 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.982 -2.157 6.627 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.770 -3.481 7.493 1.00 0.00 H new ATOM 426 N ILE A 28 13.084 -3.189 1.617 1.00 0.00 N ATOM 427 CA ILE A 28 12.642 -4.135 0.655 1.00 0.00 C ATOM 428 C ILE A 28 12.533 -3.440 -0.688 1.00 0.00 C ATOM 429 O ILE A 28 12.882 -3.966 -1.737 1.00 0.00 O ATOM 430 CB ILE A 28 11.296 -4.628 1.150 1.00 0.00 C ATOM 431 CG1 ILE A 28 11.481 -5.853 2.018 1.00 0.00 C ATOM 432 CG2 ILE A 28 10.340 -4.924 0.009 1.00 0.00 C ATOM 433 CD1 ILE A 28 10.275 -6.061 2.922 1.00 0.00 C ATOM 0 H ILE A 28 12.420 -2.974 2.361 1.00 0.00 H new ATOM 0 HA ILE A 28 13.324 -4.976 0.531 1.00 0.00 H new ATOM 0 HB ILE A 28 10.850 -3.829 1.743 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.626 -6.731 1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.381 -5.743 2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.390 -5.274 0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.175 -4.017 -0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.767 -5.694 -0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.430 -6.947 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.148 -5.190 3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.382 -6.194 2.312 1.00 0.00 H new ATOM 445 N VAL A 29 12.004 -2.223 -0.573 1.00 0.00 N ATOM 446 CA VAL A 29 11.880 -1.417 -1.761 1.00 0.00 C ATOM 447 C VAL A 29 13.262 -1.157 -2.338 1.00 0.00 C ATOM 448 O VAL A 29 13.441 -0.974 -3.536 1.00 0.00 O ATOM 449 CB VAL A 29 11.206 -0.100 -1.372 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.741 1.056 -2.211 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.685 -0.192 -1.502 1.00 0.00 C ATOM 0 H VAL A 29 11.672 -1.798 0.293 1.00 0.00 H new ATOM 0 HA VAL A 29 11.281 -1.927 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 29 11.445 0.092 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.246 1.981 -1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.815 1.153 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.545 0.861 -3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.237 0.760 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.421 -0.424 -2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.311 -0.979 -0.847 1.00 0.00 H new ATOM 461 N LEU A 30 14.218 -1.153 -1.408 1.00 0.00 N ATOM 462 CA LEU A 30 15.562 -0.931 -1.807 1.00 0.00 C ATOM 463 C LEU A 30 15.962 -2.053 -2.761 1.00 0.00 C ATOM 464 O LEU A 30 16.710 -1.871 -3.714 1.00 0.00 O ATOM 465 CB LEU A 30 16.378 -0.944 -0.520 1.00 0.00 C ATOM 466 CG LEU A 30 17.260 -2.177 -0.381 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.580 -1.984 -1.107 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.501 -2.493 1.082 1.00 0.00 C ATOM 0 H LEU A 30 14.071 -1.298 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 30 15.718 0.012 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 30 17.004 -0.052 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.701 -0.892 0.332 1.00 0.00 H new ATOM 0 HG LEU A 30 16.741 -3.019 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 30 19.192 -2.879 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.390 -1.807 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.106 -1.128 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.133 -3.377 1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.996 -1.648 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.548 -2.682 1.575 1.00 0.00 H new ATOM 480 N ILE A 31 15.395 -3.229 -2.420 1.00 0.00 N ATOM 481 CA ILE A 31 15.664 -4.384 -3.220 1.00 0.00 C ATOM 482 C ILE A 31 15.142 -4.119 -4.598 1.00 0.00 C ATOM 483 O ILE A 31 15.855 -4.032 -5.591 1.00 0.00 O ATOM 484 CB ILE A 31 14.915 -5.601 -2.685 1.00 0.00 C ATOM 485 CG1 ILE A 31 14.701 -5.565 -1.186 1.00 0.00 C ATOM 486 CG2 ILE A 31 15.630 -6.847 -3.092 1.00 0.00 C ATOM 487 CD1 ILE A 31 15.724 -6.419 -0.433 1.00 0.00 C ATOM 0 H ILE A 31 14.775 -3.377 -1.623 1.00 0.00 H new ATOM 0 HA ILE A 31 16.736 -4.579 -3.209 1.00 0.00 H new ATOM 0 HB ILE A 31 13.918 -5.585 -3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.764 -4.534 -0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.696 -5.919 -0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 31 15.094 -7.716 -2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.678 -6.900 -4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.641 -6.836 -2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.529 -6.361 0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.644 -7.456 -0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 31 16.729 -6.050 -0.639 1.00 0.00 H new ATOM 499 N GLY A 32 13.817 -4.002 -4.553 1.00 0.00 N ATOM 500 CA GLY A 32 13.099 -3.782 -5.773 1.00 0.00 C ATOM 501 C GLY A 32 13.057 -2.296 -6.127 1.00 0.00 C ATOM 502 O GLY A 32 13.993 -1.549 -5.872 1.00 0.00 O ATOM 0 H GLY A 32 13.248 -4.056 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.572 -4.338 -6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.083 -4.164 -5.675 1.00 0.00 H new ATOM 506 N SER A 33 11.918 -1.923 -6.734 1.00 0.00 N ATOM 507 CA SER A 33 11.773 -0.532 -7.120 1.00 0.00 C ATOM 508 C SER A 33 12.844 -0.186 -8.152 1.00 0.00 C ATOM 509 O SER A 33 13.197 -1.003 -8.993 1.00 0.00 O ATOM 510 CB SER A 33 11.868 0.348 -5.882 1.00 0.00 C ATOM 511 OG SER A 33 10.716 0.202 -5.092 1.00 0.00 O ATOM 0 H SER A 33 11.131 -2.534 -6.954 1.00 0.00 H new ATOM 0 HA SER A 33 10.798 -0.358 -7.576 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.751 0.079 -5.303 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.986 1.391 -6.177 1.00 0.00 H new ATOM 0 HG SER A 33 10.639 -0.728 -4.794 1.00 0.00 H new ATOM 517 N LYS A 34 13.328 1.069 -8.043 1.00 0.00 N ATOM 518 CA LYS A 34 14.348 1.499 -8.987 1.00 0.00 C ATOM 519 C LYS A 34 13.679 1.949 -10.271 1.00 0.00 C ATOM 520 O LYS A 34 13.799 3.081 -10.724 1.00 0.00 O ATOM 521 CB LYS A 34 15.269 0.326 -9.301 1.00 0.00 C ATOM 522 CG LYS A 34 16.668 0.790 -9.686 1.00 0.00 C ATOM 523 CD LYS A 34 17.689 0.477 -8.591 1.00 0.00 C ATOM 524 CE LYS A 34 18.981 -0.093 -9.177 1.00 0.00 C ATOM 525 NZ LYS A 34 20.008 -0.298 -8.163 1.00 0.00 N ATOM 0 H LYS A 34 13.042 1.759 -7.348 1.00 0.00 H new ATOM 0 HA LYS A 34 14.922 2.319 -8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.330 -0.330 -8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.844 -0.261 -10.115 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.970 0.305 -10.614 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.656 1.863 -9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.912 1.384 -8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.262 -0.237 -7.887 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.766 -1.041 -9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.360 0.585 -9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.864 -0.685 -8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.235 0.610 -7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.659 -0.965 -7.446 1.00 0.00 H new ATOM 539 N THR A 35 12.970 0.955 -10.811 1.00 0.00 N ATOM 540 CA THR A 35 12.266 1.161 -12.057 1.00 0.00 C ATOM 541 C THR A 35 11.134 2.186 -11.922 1.00 0.00 C ATOM 542 O THR A 35 10.376 2.439 -12.850 1.00 0.00 O ATOM 543 CB THR A 35 11.704 -0.183 -12.486 1.00 0.00 C ATOM 544 OG1 THR A 35 12.280 -1.214 -11.718 1.00 0.00 O ATOM 545 CG2 THR A 35 11.963 -0.450 -13.955 1.00 0.00 C ATOM 0 H THR A 35 12.875 0.023 -10.408 1.00 0.00 H new ATOM 0 HA THR A 35 12.957 1.560 -12.799 1.00 0.00 H new ATOM 0 HB THR A 35 10.626 -0.157 -12.325 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.911 -2.077 -12.000 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.547 -1.420 -14.227 1.00 0.00 H new ATOM 0 HG22 THR A 35 11.491 0.328 -14.555 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.037 -0.450 -14.141 1.00 0.00 H new ATOM 553 N ASN A 36 11.082 2.747 -10.717 1.00 0.00 N ATOM 554 CA ASN A 36 10.058 3.734 -10.440 1.00 0.00 C ATOM 555 C ASN A 36 8.701 3.166 -10.835 1.00 0.00 C ATOM 556 O ASN A 36 8.296 3.188 -11.992 1.00 0.00 O ATOM 557 CB ASN A 36 10.357 5.013 -11.215 1.00 0.00 C ATOM 558 CG ASN A 36 9.296 6.070 -10.901 1.00 0.00 C ATOM 559 OD1 ASN A 36 8.358 5.842 -10.147 1.00 0.00 O ATOM 560 ND2 ASN A 36 9.515 7.236 -11.533 1.00 0.00 N ATOM 0 H ASN A 36 11.716 2.541 -9.945 1.00 0.00 H new ATOM 0 HA ASN A 36 10.045 3.973 -9.377 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.346 5.387 -10.950 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.371 4.806 -12.285 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.872 8.017 -11.400 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.324 7.340 -12.145 1.00 0.00 H new ATOM 567 N GLY A 37 8.033 2.659 -9.789 1.00 0.00 N ATOM 568 CA GLY A 37 6.723 2.075 -10.013 1.00 0.00 C ATOM 569 C GLY A 37 6.437 0.895 -9.074 1.00 0.00 C ATOM 570 O GLY A 37 5.352 0.328 -9.087 1.00 0.00 O ATOM 0 H GLY A 37 8.366 2.644 -8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.959 2.840 -9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.651 1.738 -11.047 1.00 0.00 H new ATOM 574 N LYS A 38 7.460 0.554 -8.258 1.00 0.00 N ATOM 575 CA LYS A 38 7.240 -0.549 -7.352 1.00 0.00 C ATOM 576 C LYS A 38 6.549 -0.003 -6.119 1.00 0.00 C ATOM 577 O LYS A 38 6.722 1.149 -5.737 1.00 0.00 O ATOM 578 CB LYS A 38 8.564 -1.213 -6.994 1.00 0.00 C ATOM 579 CG LYS A 38 8.370 -2.632 -6.458 1.00 0.00 C ATOM 580 CD LYS A 38 8.586 -3.672 -7.557 1.00 0.00 C ATOM 581 CE LYS A 38 9.748 -4.611 -7.240 1.00 0.00 C ATOM 582 NZ LYS A 38 9.414 -5.594 -6.217 1.00 0.00 N ATOM 0 H LYS A 38 8.376 1.001 -8.219 1.00 0.00 H new ATOM 0 HA LYS A 38 6.615 -1.310 -7.818 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.204 -1.244 -7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.080 -0.611 -6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.067 -2.813 -5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.365 -2.735 -6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.675 -4.255 -7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.778 -3.165 -8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.050 -5.129 -8.150 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.604 -4.024 -6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.869 -6.501 -6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.752 -5.261 -5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.383 -5.723 -6.183 1.00 0.00 H new ATOM 596 N PHE A 39 5.758 -0.894 -5.525 1.00 0.00 N ATOM 597 CA PHE A 39 5.028 -0.452 -4.347 1.00 0.00 C ATOM 598 C PHE A 39 4.574 -1.637 -3.499 1.00 0.00 C ATOM 599 O PHE A 39 4.461 -2.765 -3.955 1.00 0.00 O ATOM 600 CB PHE A 39 3.813 0.370 -4.788 1.00 0.00 C ATOM 601 CG PHE A 39 2.745 -0.501 -5.391 1.00 0.00 C ATOM 602 CD1 PHE A 39 2.889 -1.015 -6.703 1.00 0.00 C ATOM 603 CD2 PHE A 39 1.586 -0.823 -4.644 1.00 0.00 C ATOM 604 CE1 PHE A 39 1.884 -1.842 -7.258 1.00 0.00 C ATOM 605 CE2 PHE A 39 0.583 -1.649 -5.200 1.00 0.00 C ATOM 606 CZ PHE A 39 0.732 -2.158 -6.507 1.00 0.00 C ATOM 0 H PHE A 39 5.613 -1.861 -5.816 1.00 0.00 H new ATOM 0 HA PHE A 39 5.691 0.160 -3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.405 0.906 -3.931 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.125 1.120 -5.515 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.769 -0.775 -7.282 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.468 -0.435 -3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.999 -2.232 -8.258 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.298 -1.891 -4.624 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.035 -2.789 -6.932 1.00 0.00 H new ATOM 616 N LEU A 40 4.300 -1.275 -2.237 1.00 0.00 N ATOM 617 CA LEU A 40 3.833 -2.272 -1.300 1.00 0.00 C ATOM 618 C LEU A 40 2.961 -1.576 -0.255 1.00 0.00 C ATOM 619 O LEU A 40 3.393 -0.669 0.445 1.00 0.00 O ATOM 620 CB LEU A 40 5.033 -2.946 -0.644 1.00 0.00 C ATOM 621 CG LEU A 40 5.670 -2.037 0.408 1.00 0.00 C ATOM 622 CD1 LEU A 40 4.922 -2.139 1.738 1.00 0.00 C ATOM 623 CD2 LEU A 40 7.143 -2.394 0.599 1.00 0.00 C ATOM 0 H LEU A 40 4.393 -0.330 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 40 3.245 -3.037 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.719 -3.881 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.772 -3.200 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 40 5.603 -1.008 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.393 -1.484 2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.884 -1.838 1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.955 -3.168 2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.582 -1.738 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.227 -3.430 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.673 -2.269 -0.345 1.00 0.00 H new ATOM 635 N ILE A 41 1.704 -2.045 -0.211 1.00 0.00 N ATOM 636 CA ILE A 41 0.787 -1.456 0.746 1.00 0.00 C ATOM 637 C ILE A 41 0.780 -2.294 2.022 1.00 0.00 C ATOM 638 O ILE A 41 1.002 -3.498 2.009 1.00 0.00 O ATOM 639 CB ILE A 41 -0.610 -1.380 0.142 1.00 0.00 C ATOM 640 CG1 ILE A 41 -1.598 -0.830 1.166 1.00 0.00 C ATOM 641 CG2 ILE A 41 -1.059 -2.754 -0.341 1.00 0.00 C ATOM 642 CD1 ILE A 41 -1.205 0.573 1.626 1.00 0.00 C ATOM 0 H ILE A 41 1.325 -2.789 -0.796 1.00 0.00 H new ATOM 0 HA ILE A 41 1.110 -0.445 0.992 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.581 -0.706 -0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.597 -0.805 0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.641 -1.497 2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.059 -2.680 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.365 -3.118 -1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.075 -3.448 0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.931 0.934 2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.216 0.542 2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.187 1.246 0.768 1.00 0.00 H new ATOM 654 N ARG A 42 0.511 -1.569 3.121 1.00 0.00 N ATOM 655 CA ARG A 42 0.482 -2.242 4.409 1.00 0.00 C ATOM 656 C ARG A 42 -0.883 -2.044 5.065 1.00 0.00 C ATOM 657 O ARG A 42 -1.515 -1.002 4.944 1.00 0.00 O ATOM 658 CB ARG A 42 1.584 -1.678 5.302 1.00 0.00 C ATOM 659 CG ARG A 42 2.974 -1.937 4.723 1.00 0.00 C ATOM 660 CD ARG A 42 4.068 -1.386 5.637 1.00 0.00 C ATOM 661 NE ARG A 42 3.913 -1.921 6.979 1.00 0.00 N ATOM 662 CZ ARG A 42 4.379 -1.209 8.024 1.00 0.00 C ATOM 663 NH1 ARG A 42 4.971 -0.035 7.824 1.00 0.00 N ATOM 664 NH2 ARG A 42 4.245 -1.683 9.259 1.00 0.00 N ATOM 0 H ARG A 42 0.321 -0.567 3.138 1.00 0.00 H new ATOM 0 HA ARG A 42 0.650 -3.309 4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.437 -0.605 5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.514 -2.127 6.293 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.119 -3.008 4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.052 -1.475 3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.049 -1.650 5.243 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.017 -0.297 5.663 1.00 0.00 H new ATOM 0 HE ARG A 42 3.458 -2.822 7.128 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.074 0.330 6.877 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.322 0.501 8.618 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.791 -2.583 9.413 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.597 -1.147 10.052 1.00 0.00 H new ATOM 678 N ALA A 43 -1.287 -3.118 5.767 1.00 0.00 N ATOM 679 CA ALA A 43 -2.569 -3.060 6.449 1.00 0.00 C ATOM 680 C ALA A 43 -2.470 -3.791 7.787 1.00 0.00 C ATOM 681 O ALA A 43 -1.392 -4.040 8.312 1.00 0.00 O ATOM 682 CB ALA A 43 -3.642 -3.699 5.574 1.00 0.00 C ATOM 0 H ALA A 43 -0.767 -3.990 5.869 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.839 -2.020 6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.603 -3.655 6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.710 -3.160 4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.381 -4.740 5.380 1.00 0.00 H new ATOM 770 N TYR A 50 -3.345 2.200 7.922 1.00 0.00 N ATOM 771 CA TYR A 50 -2.665 1.646 6.757 1.00 0.00 C ATOM 772 C TYR A 50 -1.817 2.742 6.112 1.00 0.00 C ATOM 773 O TYR A 50 -1.947 3.919 6.425 1.00 0.00 O ATOM 774 CB TYR A 50 -3.694 1.113 5.749 1.00 0.00 C ATOM 775 CG TYR A 50 -4.735 0.238 6.399 1.00 0.00 C ATOM 776 CD1 TYR A 50 -4.457 -0.435 7.616 1.00 0.00 C ATOM 777 CD2 TYR A 50 -6.009 0.082 5.800 1.00 0.00 C ATOM 778 CE1 TYR A 50 -5.439 -1.249 8.224 1.00 0.00 C ATOM 779 CE2 TYR A 50 -6.991 -0.733 6.408 1.00 0.00 C ATOM 780 CZ TYR A 50 -6.706 -1.398 7.620 1.00 0.00 C ATOM 781 OH TYR A 50 -7.663 -2.195 8.214 1.00 0.00 O ATOM 0 HA TYR A 50 -2.024 0.820 7.065 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.185 1.953 5.257 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.179 0.546 4.974 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.489 -0.325 8.081 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.232 0.589 4.873 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.220 -1.757 9.151 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.960 -0.847 5.945 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.478 -2.188 7.670 1.00 0.00 H new ATOM 791 N ALA A 51 -0.938 2.284 5.196 1.00 0.00 N ATOM 792 CA ALA A 51 -0.096 3.259 4.520 1.00 0.00 C ATOM 793 C ALA A 51 0.517 2.661 3.249 1.00 0.00 C ATOM 794 O ALA A 51 1.222 1.659 3.272 1.00 0.00 O ATOM 795 CB ALA A 51 1.001 3.743 5.467 1.00 0.00 C ATOM 0 H ALA A 51 -0.805 1.309 4.928 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.713 4.109 4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.628 4.473 4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.547 4.206 6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.612 2.896 5.780 1.00 0.00 H new ATOM 801 N LEU A 52 0.181 3.355 2.144 1.00 0.00 N ATOM 802 CA LEU A 52 0.706 2.941 0.848 1.00 0.00 C ATOM 803 C LEU A 52 2.138 3.461 0.701 1.00 0.00 C ATOM 804 O LEU A 52 2.406 4.647 0.821 1.00 0.00 O ATOM 805 CB LEU A 52 -0.191 3.510 -0.257 1.00 0.00 C ATOM 806 CG LEU A 52 0.589 3.871 -1.529 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.139 2.612 -2.202 1.00 0.00 C ATOM 808 CD2 LEU A 52 -0.323 4.620 -2.500 1.00 0.00 C ATOM 0 H LEU A 52 -0.428 4.173 2.129 1.00 0.00 H new ATOM 0 HA LEU A 52 0.717 1.854 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.963 2.781 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.700 4.399 0.116 1.00 0.00 H new ATOM 0 HG LEU A 52 1.427 4.510 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.688 2.891 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.808 2.094 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.313 1.953 -2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.235 4.874 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.171 3.988 -2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.685 5.533 -2.028 1.00 0.00 H new ATOM 820 N CYS A 53 3.033 2.499 0.415 1.00 0.00 N ATOM 821 CA CYS A 53 4.428 2.880 0.264 1.00 0.00 C ATOM 822 C CYS A 53 4.964 2.397 -1.084 1.00 0.00 C ATOM 823 O CYS A 53 4.716 1.281 -1.515 1.00 0.00 O ATOM 824 CB CYS A 53 5.241 2.275 1.405 1.00 0.00 C ATOM 825 SG CYS A 53 4.651 2.785 3.038 1.00 0.00 S ATOM 0 H CYS A 53 2.823 1.508 0.291 1.00 0.00 H new ATOM 0 HA CYS A 53 4.513 3.966 0.298 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.204 1.188 1.334 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.286 2.566 1.294 1.00 0.00 H new ATOM 0 HG CYS A 53 5.632 3.314 3.708 1.00 0.00 H new ATOM 831 N LEU A 54 5.712 3.321 -1.714 1.00 0.00 N ATOM 832 CA LEU A 54 6.305 2.985 -3.004 1.00 0.00 C ATOM 833 C LEU A 54 7.582 3.803 -3.193 1.00 0.00 C ATOM 834 O LEU A 54 7.898 4.680 -2.400 1.00 0.00 O ATOM 835 CB LEU A 54 5.302 3.235 -4.133 1.00 0.00 C ATOM 836 CG LEU A 54 4.690 4.641 -4.099 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.778 4.808 -2.886 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.779 5.715 -4.098 1.00 0.00 C ATOM 0 H LEU A 54 5.909 4.259 -1.366 1.00 0.00 H new ATOM 0 HA LEU A 54 6.563 1.926 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.799 3.086 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.503 2.497 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 54 4.091 4.764 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.356 5.813 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.972 4.076 -2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.354 4.655 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.317 6.702 -4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.413 5.589 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.384 5.620 -4.999 1.00 0.00 H new ATOM 850 N LEU A 55 8.311 3.458 -4.277 1.00 0.00 N ATOM 851 CA LEU A 55 9.551 4.191 -4.502 1.00 0.00 C ATOM 852 C LEU A 55 9.517 4.916 -5.841 1.00 0.00 C ATOM 853 O LEU A 55 9.006 4.422 -6.838 1.00 0.00 O ATOM 854 CB LEU A 55 10.725 3.225 -4.455 1.00 0.00 C ATOM 855 CG LEU A 55 12.073 3.963 -4.453 1.00 0.00 C ATOM 856 CD1 LEU A 55 12.720 3.947 -3.073 1.00 0.00 C ATOM 857 CD2 LEU A 55 13.032 3.332 -5.451 1.00 0.00 C ATOM 0 H LEU A 55 8.079 2.733 -4.956 1.00 0.00 H new ATOM 0 HA LEU A 55 9.665 4.939 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.649 2.604 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.679 2.555 -5.314 1.00 0.00 H new ATOM 0 HG LEU A 55 11.870 4.996 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.671 4.478 -3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.060 4.435 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.892 2.916 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.980 3.869 -5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.201 2.289 -5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.603 3.385 -6.452 1.00 0.00 H new ATOM 869 N HIS A 56 10.101 6.126 -5.781 1.00 0.00 N ATOM 870 CA HIS A 56 10.157 6.931 -6.991 1.00 0.00 C ATOM 871 C HIS A 56 11.325 6.471 -7.872 1.00 0.00 C ATOM 872 O HIS A 56 11.174 5.650 -8.767 1.00 0.00 O ATOM 873 CB HIS A 56 10.317 8.401 -6.614 1.00 0.00 C ATOM 874 CG HIS A 56 10.292 9.242 -7.867 1.00 0.00 C ATOM 875 ND1 HIS A 56 10.891 10.447 -7.976 1.00 0.00 N ATOM 876 CD2 HIS A 56 9.670 8.949 -9.094 1.00 0.00 C ATOM 877 CE1 HIS A 56 10.646 10.881 -9.224 1.00 0.00 C ATOM 878 NE2 HIS A 56 9.911 9.994 -9.919 1.00 0.00 N ATOM 0 H HIS A 56 10.518 6.543 -4.949 1.00 0.00 H new ATOM 0 HA HIS A 56 9.232 6.808 -7.555 1.00 0.00 H new ATOM 0 HB2 HIS A 56 9.515 8.705 -5.942 1.00 0.00 H new ATOM 0 HB3 HIS A 56 11.255 8.551 -6.080 1.00 0.00 H new ATOM 0 HD1 HIS A 56 11.424 10.932 -7.254 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.107 8.059 -9.332 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.995 11.823 -9.619 1.00 0.00 H new ATOM 886 N GLU A 57 12.491 7.069 -7.559 1.00 0.00 N ATOM 887 CA GLU A 57 13.690 6.734 -8.328 1.00 0.00 C ATOM 888 C GLU A 57 14.873 6.388 -7.404 1.00 0.00 C ATOM 889 O GLU A 57 16.011 6.259 -7.837 1.00 0.00 O ATOM 890 CB GLU A 57 14.056 7.942 -9.171 1.00 0.00 C ATOM 891 CG GLU A 57 12.870 8.433 -10.000 1.00 0.00 C ATOM 892 CD GLU A 57 13.118 8.146 -11.483 1.00 0.00 C ATOM 893 OE1 GLU A 57 13.956 8.821 -12.080 1.00 0.00 O ATOM 894 OE2 GLU A 57 12.470 7.251 -12.025 1.00 0.00 O ATOM 0 H GLU A 57 12.621 7.754 -6.814 1.00 0.00 H new ATOM 0 HA GLU A 57 13.483 5.862 -8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.405 8.746 -8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.882 7.686 -9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.956 7.938 -9.672 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.725 9.502 -9.847 1.00 0.00 H new ATOM 901 N GLY A 58 14.523 6.253 -6.118 1.00 0.00 N ATOM 902 CA GLY A 58 15.545 5.950 -5.125 1.00 0.00 C ATOM 903 C GLY A 58 15.267 6.672 -3.794 1.00 0.00 C ATOM 904 O GLY A 58 16.162 6.946 -3.003 1.00 0.00 O ATOM 0 H GLY A 58 13.574 6.346 -5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.582 4.874 -4.956 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.523 6.247 -5.505 1.00 0.00 H new ATOM 908 N LYS A 59 13.965 6.952 -3.621 1.00 0.00 N ATOM 909 CA LYS A 59 13.510 7.611 -2.431 1.00 0.00 C ATOM 910 C LYS A 59 12.164 6.993 -2.115 1.00 0.00 C ATOM 911 O LYS A 59 11.144 7.298 -2.725 1.00 0.00 O ATOM 912 CB LYS A 59 13.375 9.110 -2.658 1.00 0.00 C ATOM 913 CG LYS A 59 14.690 9.739 -3.119 1.00 0.00 C ATOM 914 CD LYS A 59 14.535 10.432 -4.472 1.00 0.00 C ATOM 915 CE LYS A 59 13.723 11.722 -4.350 1.00 0.00 C ATOM 916 NZ LYS A 59 13.370 12.280 -5.649 1.00 0.00 N ATOM 0 H LYS A 59 13.232 6.727 -4.294 1.00 0.00 H new ATOM 0 HA LYS A 59 14.215 7.486 -1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.603 9.296 -3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.048 9.589 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.029 10.461 -2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.458 8.969 -3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.520 10.658 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.045 9.757 -5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.813 11.523 -3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.296 12.457 -3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.587 12.955 -5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.194 12.770 -6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.076 11.514 -6.288 1.00 0.00 H new ATOM 930 N VAL A 60 12.242 6.094 -1.142 1.00 0.00 N ATOM 931 CA VAL A 60 11.039 5.394 -0.761 1.00 0.00 C ATOM 932 C VAL A 60 10.065 6.369 -0.133 1.00 0.00 C ATOM 933 O VAL A 60 10.434 7.319 0.547 1.00 0.00 O ATOM 934 CB VAL A 60 11.376 4.293 0.237 1.00 0.00 C ATOM 935 CG1 VAL A 60 11.455 4.871 1.646 1.00 0.00 C ATOM 936 CG2 VAL A 60 10.322 3.189 0.196 1.00 0.00 C ATOM 0 H VAL A 60 13.087 5.845 -0.627 1.00 0.00 H new ATOM 0 HA VAL A 60 10.587 4.947 -1.646 1.00 0.00 H new ATOM 0 HB VAL A 60 12.342 3.868 -0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.696 4.077 2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.230 5.637 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.495 5.314 1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.581 2.412 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.347 3.607 0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.285 2.759 -0.805 1.00 0.00 H new ATOM 946 N LEU A 61 8.802 6.040 -0.390 1.00 0.00 N ATOM 947 CA LEU A 61 7.753 6.875 0.132 1.00 0.00 C ATOM 948 C LEU A 61 6.743 6.066 0.889 1.00 0.00 C ATOM 949 O LEU A 61 6.709 4.842 0.871 1.00 0.00 O ATOM 950 CB LEU A 61 7.058 7.600 -1.004 1.00 0.00 C ATOM 951 CG LEU A 61 8.082 8.212 -1.936 1.00 0.00 C ATOM 952 CD1 LEU A 61 7.407 9.036 -3.027 1.00 0.00 C ATOM 953 CD2 LEU A 61 9.035 9.064 -1.115 1.00 0.00 C ATOM 0 H LEU A 61 8.499 5.233 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 61 8.205 7.595 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.423 6.905 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.407 8.378 -0.605 1.00 0.00 H new ATOM 0 HG LEU A 61 8.640 7.421 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.166 9.464 -3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.744 8.396 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.827 9.838 -2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.780 9.513 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.476 9.851 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.534 8.440 -0.373 1.00 0.00 H new ATOM 965 N HIS A 62 5.916 6.871 1.544 1.00 0.00 N ATOM 966 CA HIS A 62 4.854 6.285 2.335 1.00 0.00 C ATOM 967 C HIS A 62 3.686 7.268 2.368 1.00 0.00 C ATOM 968 O HIS A 62 3.864 8.470 2.425 1.00 0.00 O ATOM 969 CB HIS A 62 5.340 5.992 3.767 1.00 0.00 C ATOM 970 CG HIS A 62 6.721 5.354 3.764 1.00 0.00 C ATOM 971 ND1 HIS A 62 6.957 4.043 4.007 1.00 0.00 N ATOM 972 CD2 HIS A 62 7.958 5.986 3.544 1.00 0.00 C ATOM 973 CE1 HIS A 62 8.293 3.879 3.939 1.00 0.00 C ATOM 974 NE2 HIS A 62 8.916 5.037 3.661 1.00 0.00 N ATOM 0 H HIS A 62 5.958 7.890 1.543 1.00 0.00 H new ATOM 0 HA HIS A 62 4.542 5.341 1.889 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.367 6.918 4.341 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.632 5.329 4.265 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.114 7.032 3.323 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.799 2.937 4.089 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.921 5.175 3.558 1.00 0.00 H new ATOM 982 N TYR A 63 2.490 6.683 2.293 1.00 0.00 N ATOM 983 CA TYR A 63 1.311 7.508 2.340 1.00 0.00 C ATOM 984 C TYR A 63 0.319 6.845 3.276 1.00 0.00 C ATOM 985 O TYR A 63 -0.040 5.699 3.085 1.00 0.00 O ATOM 986 CB TYR A 63 0.692 7.586 0.954 1.00 0.00 C ATOM 987 CG TYR A 63 1.575 8.270 -0.045 1.00 0.00 C ATOM 988 CD1 TYR A 63 1.743 9.678 -0.033 1.00 0.00 C ATOM 989 CD2 TYR A 63 2.227 7.507 -1.042 1.00 0.00 C ATOM 990 CE1 TYR A 63 2.550 10.300 -1.006 1.00 0.00 C ATOM 991 CE2 TYR A 63 3.032 8.132 -2.011 1.00 0.00 C ATOM 992 CZ TYR A 63 3.196 9.530 -1.996 1.00 0.00 C ATOM 993 OH TYR A 63 3.985 10.145 -2.947 1.00 0.00 O ATOM 0 H TYR A 63 2.327 5.680 2.203 1.00 0.00 H new ATOM 0 HA TYR A 63 1.565 8.511 2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.470 6.578 0.604 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.257 8.118 1.016 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.252 10.274 0.722 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.105 6.434 -1.059 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.675 11.373 -0.994 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.525 7.539 -2.767 1.00 0.00 H new ATOM 0 HH TYR A 63 4.539 9.473 -3.397 1.00 0.00 H new ATOM 1003 N ARG A 64 -0.102 7.605 4.297 1.00 0.00 N ATOM 1004 CA ARG A 64 -1.069 6.998 5.189 1.00 0.00 C ATOM 1005 C ARG A 64 -2.280 6.612 4.353 1.00 0.00 C ATOM 1006 O ARG A 64 -2.475 7.094 3.248 1.00 0.00 O ATOM 1007 CB ARG A 64 -1.472 7.950 6.304 1.00 0.00 C ATOM 1008 CG ARG A 64 -2.621 7.384 7.141 1.00 0.00 C ATOM 1009 CD ARG A 64 -2.723 8.080 8.499 1.00 0.00 C ATOM 1010 NE ARG A 64 -3.906 7.629 9.213 1.00 0.00 N ATOM 1011 CZ ARG A 64 -5.066 8.296 9.044 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -5.120 9.351 8.235 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -6.160 7.898 9.688 1.00 0.00 N ATOM 0 H ARG A 64 0.188 8.560 4.508 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.633 6.121 5.668 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.613 8.142 6.947 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.770 8.907 5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.559 7.502 6.599 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.471 6.315 7.290 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.832 7.870 9.090 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.765 9.160 8.359 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.860 6.820 9.833 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.282 9.658 7.740 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.999 9.853 8.110 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.121 7.089 10.309 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.038 8.401 9.561 1.00 0.00 H new ATOM 1027 N ILE A 65 -3.072 5.728 4.964 1.00 0.00 N ATOM 1028 CA ILE A 65 -4.260 5.248 4.269 1.00 0.00 C ATOM 1029 C ILE A 65 -5.312 4.770 5.266 1.00 0.00 C ATOM 1030 O ILE A 65 -5.134 3.784 5.971 1.00 0.00 O ATOM 1031 CB ILE A 65 -3.883 4.088 3.341 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -2.823 4.507 2.325 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -5.124 3.560 2.622 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -3.308 5.637 1.426 1.00 0.00 C ATOM 0 H ILE A 65 -2.920 5.346 5.897 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.673 6.071 3.686 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.461 3.293 3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.922 4.824 2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.549 3.648 1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.842 2.736 1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.848 3.207 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.569 4.359 2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.522 5.903 0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.193 5.312 0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.556 6.506 2.036 1.00 0.00 H new ATOM 1046 N ASP A 66 -6.419 5.534 5.270 1.00 0.00 N ATOM 1047 CA ASP A 66 -7.514 5.165 6.143 1.00 0.00 C ATOM 1048 C ASP A 66 -8.826 5.624 5.525 1.00 0.00 C ATOM 1049 O ASP A 66 -8.870 6.258 4.480 1.00 0.00 O ATOM 1050 CB ASP A 66 -7.336 5.804 7.508 1.00 0.00 C ATOM 1051 CG ASP A 66 -8.278 5.146 8.519 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -8.088 3.968 8.818 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -9.191 5.819 8.995 1.00 0.00 O ATOM 0 H ASP A 66 -6.564 6.369 4.703 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.526 4.082 6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.303 5.696 7.837 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.542 6.873 7.448 1.00 0.00 H new ATOM 1058 N LYS A 67 -9.880 5.281 6.271 1.00 0.00 N ATOM 1059 CA LYS A 67 -11.212 5.641 5.815 1.00 0.00 C ATOM 1060 C LYS A 67 -11.649 6.942 6.471 1.00 0.00 C ATOM 1061 O LYS A 67 -10.879 7.640 7.120 1.00 0.00 O ATOM 1062 CB LYS A 67 -12.197 4.532 6.185 1.00 0.00 C ATOM 1063 CG LYS A 67 -12.371 4.430 7.702 1.00 0.00 C ATOM 1064 CD LYS A 67 -13.554 3.557 8.090 1.00 0.00 C ATOM 1065 CE LYS A 67 -13.322 2.853 9.427 1.00 0.00 C ATOM 1066 NZ LYS A 67 -12.110 2.043 9.427 1.00 0.00 N ATOM 0 H LYS A 67 -9.837 4.776 7.156 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.196 5.770 4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.162 4.728 5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.841 3.580 5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.461 4.022 8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.507 5.428 8.118 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.453 4.170 8.152 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.728 2.813 7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.258 3.598 10.220 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.179 2.219 9.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.238 1.227 10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.917 1.707 8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.309 2.617 9.760 1.00 0.00 H new ATOM 1080 N ASP A 68 -12.946 7.207 6.252 1.00 0.00 N ATOM 1081 CA ASP A 68 -13.526 8.397 6.830 1.00 0.00 C ATOM 1082 C ASP A 68 -14.616 7.962 7.802 1.00 0.00 C ATOM 1083 O ASP A 68 -15.746 8.434 7.767 1.00 0.00 O ATOM 1084 CB ASP A 68 -14.114 9.255 5.718 1.00 0.00 C ATOM 1085 CG ASP A 68 -13.015 10.107 5.080 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -11.916 9.592 4.881 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -13.271 11.275 4.792 1.00 0.00 O ATOM 0 H ASP A 68 -13.580 6.630 5.699 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.774 8.983 7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.578 8.620 4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.898 9.898 6.119 1.00 0.00 H new ATOM 1092 N LYS A 69 -14.193 7.024 8.669 1.00 0.00 N ATOM 1093 CA LYS A 69 -15.146 6.487 9.625 1.00 0.00 C ATOM 1094 C LYS A 69 -16.423 6.089 8.883 1.00 0.00 C ATOM 1095 O LYS A 69 -17.530 6.147 9.405 1.00 0.00 O ATOM 1096 CB LYS A 69 -15.442 7.528 10.702 1.00 0.00 C ATOM 1097 CG LYS A 69 -14.162 8.174 11.237 1.00 0.00 C ATOM 1098 CD LYS A 69 -13.640 9.261 10.294 1.00 0.00 C ATOM 1099 CE LYS A 69 -12.867 10.341 11.051 1.00 0.00 C ATOM 1100 NZ LYS A 69 -13.716 11.098 11.964 1.00 0.00 N ATOM 0 H LYS A 69 -13.247 6.646 8.721 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.731 5.605 10.113 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.094 8.299 10.292 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.982 7.057 11.523 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.355 8.606 12.219 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.397 7.409 11.370 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.993 8.810 9.541 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.477 9.716 9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.057 9.877 11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.408 11.024 10.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.310 12.044 12.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.668 11.190 11.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.776 10.601 12.875 1.00 0.00 H new ATOM 1114 N THR A 70 -16.172 5.686 7.628 1.00 0.00 N ATOM 1115 CA THR A 70 -17.244 5.269 6.774 1.00 0.00 C ATOM 1116 C THR A 70 -17.113 3.775 6.481 1.00 0.00 C ATOM 1117 O THR A 70 -18.092 3.074 6.256 1.00 0.00 O ATOM 1118 CB THR A 70 -17.111 6.057 5.484 1.00 0.00 C ATOM 1119 OG1 THR A 70 -17.837 7.256 5.580 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.581 5.256 4.285 1.00 0.00 C ATOM 0 H THR A 70 -15.244 5.647 7.206 1.00 0.00 H new ATOM 0 HA THR A 70 -18.212 5.445 7.242 1.00 0.00 H new ATOM 0 HB THR A 70 -16.055 6.281 5.336 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.419 7.839 6.248 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.470 5.855 3.381 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.982 4.350 4.196 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.629 4.987 4.415 1.00 0.00 H new ATOM 1128 N GLY A 71 -15.836 3.338 6.495 1.00 0.00 N ATOM 1129 CA GLY A 71 -15.596 1.947 6.196 1.00 0.00 C ATOM 1130 C GLY A 71 -14.753 1.767 4.925 1.00 0.00 C ATOM 1131 O GLY A 71 -14.145 0.729 4.696 1.00 0.00 O ATOM 0 H GLY A 71 -15.012 3.904 6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -15.087 1.478 7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.549 1.433 6.074 1.00 0.00 H new ATOM 1135 N LYS A 72 -14.762 2.847 4.122 1.00 0.00 N ATOM 1136 CA LYS A 72 -14.012 2.796 2.881 1.00 0.00 C ATOM 1137 C LYS A 72 -12.615 3.353 3.122 1.00 0.00 C ATOM 1138 O LYS A 72 -12.438 4.404 3.718 1.00 0.00 O ATOM 1139 CB LYS A 72 -14.736 3.607 1.809 1.00 0.00 C ATOM 1140 CG LYS A 72 -16.173 3.127 1.612 1.00 0.00 C ATOM 1141 CD LYS A 72 -16.876 3.906 0.499 1.00 0.00 C ATOM 1142 CE LYS A 72 -18.351 3.522 0.392 1.00 0.00 C ATOM 1143 NZ LYS A 72 -19.019 4.187 -0.720 1.00 0.00 N ATOM 0 H LYS A 72 -15.258 3.719 4.307 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.930 1.765 2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.739 4.660 2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.194 3.530 0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.173 2.064 1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.727 3.241 2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.790 4.975 0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.379 3.713 -0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.435 2.442 0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.859 3.777 1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.017 3.894 -0.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.964 5.218 -0.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.553 3.924 -1.612 1.00 0.00 H new ATOM 1157 N LEU A 73 -11.639 2.591 2.602 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.270 3.019 2.779 1.00 0.00 C ATOM 1159 C LEU A 73 -9.986 4.109 1.760 1.00 0.00 C ATOM 1160 O LEU A 73 -10.403 4.036 0.615 1.00 0.00 O ATOM 1161 CB LEU A 73 -9.332 1.835 2.566 1.00 0.00 C ATOM 1162 CG LEU A 73 -9.589 0.709 3.567 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -8.681 -0.483 3.264 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -9.359 1.200 4.998 1.00 0.00 C ATOM 0 H LEU A 73 -11.773 1.723 2.084 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.113 3.402 3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.455 1.453 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.299 2.171 2.657 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.628 0.393 3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.873 -1.279 3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.883 -0.848 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.638 -0.173 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.547 0.385 5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.329 1.540 5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.037 2.026 5.213 1.00 0.00 H new ATOM 1176 N SER A 74 -9.252 5.117 2.243 1.00 0.00 N ATOM 1177 CA SER A 74 -8.951 6.217 1.353 1.00 0.00 C ATOM 1178 C SER A 74 -7.596 6.821 1.704 1.00 0.00 C ATOM 1179 O SER A 74 -6.733 6.187 2.301 1.00 0.00 O ATOM 1180 CB SER A 74 -10.061 7.264 1.457 1.00 0.00 C ATOM 1181 OG SER A 74 -11.318 6.673 1.243 1.00 0.00 O ATOM 0 H SER A 74 -8.879 5.187 3.190 1.00 0.00 H new ATOM 0 HA SER A 74 -8.900 5.857 0.326 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.036 7.732 2.441 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.894 8.053 0.724 1.00 0.00 H new ATOM 0 HG SER A 74 -12.024 7.314 1.470 1.00 0.00 H new ATOM 1187 N ILE A 75 -7.481 8.095 1.298 1.00 0.00 N ATOM 1188 CA ILE A 75 -6.237 8.798 1.537 1.00 0.00 C ATOM 1189 C ILE A 75 -6.536 10.283 1.739 1.00 0.00 C ATOM 1190 O ILE A 75 -7.388 10.860 1.075 1.00 0.00 O ATOM 1191 CB ILE A 75 -5.342 8.615 0.314 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -5.423 7.179 -0.205 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -3.893 8.989 0.619 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -4.274 6.863 -1.164 1.00 0.00 C ATOM 0 H ILE A 75 -8.208 8.631 0.823 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.739 8.408 2.425 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.705 9.289 -0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.398 6.485 0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.375 7.028 -0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.285 8.846 -0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.844 10.033 0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.515 8.355 1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.364 5.834 -1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.315 7.540 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.323 6.989 -0.646 1.00 0.00 H new ATOM 1206 N PRO A 76 -5.788 10.879 2.695 1.00 0.00 N ATOM 1207 CA PRO A 76 -5.923 12.288 3.001 1.00 0.00 C ATOM 1208 C PRO A 76 -5.786 13.136 1.741 1.00 0.00 C ATOM 1209 O PRO A 76 -6.685 13.866 1.340 1.00 0.00 O ATOM 1210 CB PRO A 76 -4.788 12.605 3.978 1.00 0.00 C ATOM 1211 CG PRO A 76 -4.109 11.271 4.332 1.00 0.00 C ATOM 1212 CD PRO A 76 -4.781 10.189 3.482 1.00 0.00 C ATOM 0 HA PRO A 76 -6.903 12.510 3.424 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.073 13.293 3.527 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.175 13.090 4.874 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.040 11.315 4.125 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.220 11.052 5.394 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.056 9.689 2.839 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.233 9.421 4.110 1.00 0.00 H new ATOM 1220 N GLU A 77 -4.592 12.978 1.156 1.00 0.00 N ATOM 1221 CA GLU A 77 -4.305 13.703 -0.070 1.00 0.00 C ATOM 1222 C GLU A 77 -4.557 12.806 -1.292 1.00 0.00 C ATOM 1223 O GLU A 77 -4.942 13.270 -2.358 1.00 0.00 O ATOM 1224 CB GLU A 77 -2.855 14.175 -0.043 1.00 0.00 C ATOM 1225 CG GLU A 77 -2.594 15.105 1.142 1.00 0.00 C ATOM 1226 CD GLU A 77 -1.092 15.341 1.295 1.00 0.00 C ATOM 1227 OE1 GLU A 77 -0.375 14.384 1.581 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -0.656 16.480 1.127 1.00 0.00 O ATOM 0 H GLU A 77 -3.842 12.378 1.500 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.964 14.568 -0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.191 13.313 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.622 14.694 -0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.107 16.055 0.990 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.997 14.667 2.055 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.312 11.497 -1.066 1.00 0.00 N ATOM 1236 CA GLY A 78 -4.511 10.548 -2.151 1.00 0.00 C ATOM 1237 C GLY A 78 -5.941 10.636 -2.704 1.00 0.00 C ATOM 1238 O GLY A 78 -6.385 11.668 -3.191 1.00 0.00 O ATOM 0 H GLY A 78 -3.992 11.100 -0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.796 10.747 -2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.317 9.536 -1.794 1.00 0.00 H new ATOM 1242 N LYS A 79 -6.621 9.477 -2.592 1.00 0.00 N ATOM 1243 CA LYS A 79 -7.992 9.418 -3.064 1.00 0.00 C ATOM 1244 C LYS A 79 -8.864 8.732 -2.009 1.00 0.00 C ATOM 1245 O LYS A 79 -8.713 8.929 -0.811 1.00 0.00 O ATOM 1246 CB LYS A 79 -8.041 8.645 -4.378 1.00 0.00 C ATOM 1247 CG LYS A 79 -9.210 9.091 -5.253 1.00 0.00 C ATOM 1248 CD LYS A 79 -8.804 10.237 -6.180 1.00 0.00 C ATOM 1249 CE LYS A 79 -9.943 10.622 -7.125 1.00 0.00 C ATOM 1250 NZ LYS A 79 -9.564 11.679 -8.054 1.00 0.00 N ATOM 0 H LYS A 79 -6.252 8.613 -2.195 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.370 10.426 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.106 8.788 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.129 7.579 -4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.565 8.249 -5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.040 9.408 -4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.515 11.103 -5.585 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.930 9.944 -6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.256 9.743 -7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.802 10.948 -6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.370 11.903 -8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.290 12.529 -7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.761 11.360 -8.634 1.00 0.00 H new ATOM 1264 N LYS A 80 -9.778 7.917 -2.556 1.00 0.00 N ATOM 1265 CA LYS A 80 -10.689 7.180 -1.686 1.00 0.00 C ATOM 1266 C LYS A 80 -11.253 5.968 -2.432 1.00 0.00 C ATOM 1267 O LYS A 80 -11.763 6.070 -3.541 1.00 0.00 O ATOM 1268 CB LYS A 80 -11.816 8.097 -1.217 1.00 0.00 C ATOM 1269 CG LYS A 80 -12.292 9.034 -2.330 1.00 0.00 C ATOM 1270 CD LYS A 80 -11.589 10.391 -2.265 1.00 0.00 C ATOM 1271 CE LYS A 80 -11.601 10.964 -0.846 1.00 0.00 C ATOM 1272 NZ LYS A 80 -10.323 10.793 -0.167 1.00 0.00 N ATOM 0 H LYS A 80 -9.900 7.759 -3.556 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.145 6.826 -0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.654 7.493 -0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.473 8.688 -0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.104 8.573 -3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.369 9.178 -2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.559 10.285 -2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.080 11.089 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.848 12.025 -0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.385 10.476 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.420 11.072 0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.032 9.796 -0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.604 11.389 -0.625 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.122 4.814 -1.741 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.601 3.587 -2.332 1.00 0.00 C ATOM 1288 C PHE A 81 -12.303 2.707 -1.292 1.00 0.00 C ATOM 1289 O PHE A 81 -12.345 2.996 -0.098 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.411 2.843 -2.889 1.00 0.00 C ATOM 1291 CG PHE A 81 -9.776 3.592 -4.018 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.214 3.382 -5.347 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -8.719 4.502 -3.771 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -9.602 4.070 -6.417 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -8.105 5.188 -4.842 1.00 0.00 C ATOM 1296 CZ PHE A 81 -8.547 4.973 -6.164 1.00 0.00 C ATOM 0 H PHE A 81 -10.705 4.725 -0.815 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.322 3.823 -3.115 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.678 2.684 -2.099 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.725 1.858 -3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -11.021 2.692 -5.544 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.381 4.672 -2.759 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.941 3.905 -7.429 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.297 5.878 -4.649 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.078 5.499 -6.983 1.00 0.00 H new ATOM 1306 N ASP A 82 -12.820 1.590 -1.843 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.524 0.644 -0.996 1.00 0.00 C ATOM 1308 C ASP A 82 -12.524 -0.174 -0.178 1.00 0.00 C ATOM 1309 O ASP A 82 -12.661 -0.330 1.029 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.377 -0.272 -1.870 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.147 -1.262 -0.993 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -16.220 -0.906 -0.510 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -14.664 -2.378 -0.805 1.00 0.00 O ATOM 0 H ASP A 82 -12.761 1.339 -2.830 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.171 1.183 -0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.074 0.321 -2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.743 -0.813 -2.573 1.00 0.00 H new ATOM 1318 N THR A 83 -11.512 -0.687 -0.908 1.00 0.00 N ATOM 1319 CA THR A 83 -10.513 -1.475 -0.231 1.00 0.00 C ATOM 1320 C THR A 83 -9.167 -1.166 -0.857 1.00 0.00 C ATOM 1321 O THR A 83 -9.067 -0.535 -1.903 1.00 0.00 O ATOM 1322 CB THR A 83 -10.838 -2.963 -0.372 1.00 0.00 C ATOM 1323 OG1 THR A 83 -11.279 -3.221 -1.682 1.00 0.00 O ATOM 1324 CG2 THR A 83 -11.905 -3.415 0.626 1.00 0.00 C ATOM 0 H THR A 83 -11.383 -0.569 -1.913 1.00 0.00 H new ATOM 0 HA THR A 83 -10.493 -1.233 0.832 1.00 0.00 H new ATOM 0 HB THR A 83 -9.929 -3.525 -0.159 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.486 -4.174 -1.776 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.104 -4.478 0.489 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.551 -3.240 1.642 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.822 -2.850 0.459 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.144 -1.647 -0.150 1.00 0.00 N ATOM 1333 CA LEU A 84 -6.816 -1.440 -0.625 1.00 0.00 C ATOM 1334 C LEU A 84 -6.560 -2.160 -1.946 1.00 0.00 C ATOM 1335 O LEU A 84 -5.484 -2.093 -2.516 1.00 0.00 O ATOM 1336 CB LEU A 84 -5.915 -1.997 0.443 1.00 0.00 C ATOM 1337 CG LEU A 84 -5.323 -0.909 1.325 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -4.302 -1.516 2.280 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -4.688 0.183 0.470 1.00 0.00 C ATOM 0 H LEU A 84 -8.224 -2.165 0.725 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.639 -0.381 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.478 -2.696 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.108 -2.562 -0.024 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.120 -0.454 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.881 -0.732 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.789 -2.262 2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.504 -1.989 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.269 0.954 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.895 -0.248 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.445 0.625 -0.177 1.00 0.00 H new ATOM 1351 N TRP A 85 -7.612 -2.847 -2.375 1.00 0.00 N ATOM 1352 CA TRP A 85 -7.520 -3.571 -3.629 1.00 0.00 C ATOM 1353 C TRP A 85 -7.841 -2.633 -4.768 1.00 0.00 C ATOM 1354 O TRP A 85 -7.308 -2.721 -5.867 1.00 0.00 O ATOM 1355 CB TRP A 85 -8.542 -4.691 -3.618 1.00 0.00 C ATOM 1356 CG TRP A 85 -7.879 -5.986 -4.011 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -8.045 -6.646 -5.227 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -6.956 -6.744 -3.235 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -7.271 -7.772 -5.238 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -6.579 -7.872 -4.026 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -6.427 -6.564 -1.965 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -5.678 -8.805 -3.532 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -5.507 -7.509 -1.451 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -5.132 -8.631 -2.236 1.00 0.00 C ATOM 0 H TRP A 85 -8.507 -2.916 -1.891 1.00 0.00 H new ATOM 0 HA TRP A 85 -6.515 -3.975 -3.753 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.984 -4.784 -2.626 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -9.354 -4.463 -4.308 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.685 -6.319 -6.034 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.208 -8.436 -6.010 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -6.715 -5.708 -1.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.395 -9.658 -4.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -5.091 -7.377 -0.463 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -4.430 -9.353 -1.845 1.00 0.00 H new ATOM 1375 N GLN A 86 -8.755 -1.733 -4.416 1.00 0.00 N ATOM 1376 CA GLN A 86 -9.178 -0.778 -5.407 1.00 0.00 C ATOM 1377 C GLN A 86 -8.215 0.382 -5.415 1.00 0.00 C ATOM 1378 O GLN A 86 -7.792 0.854 -6.448 1.00 0.00 O ATOM 1379 CB GLN A 86 -10.604 -0.317 -5.113 1.00 0.00 C ATOM 1380 CG GLN A 86 -11.598 -1.474 -5.208 1.00 0.00 C ATOM 1381 CD GLN A 86 -11.596 -2.044 -6.627 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -10.677 -2.738 -7.044 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -12.688 -1.700 -7.332 1.00 0.00 N ATOM 0 H GLN A 86 -9.192 -1.653 -3.498 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.177 -1.238 -6.395 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.648 0.120 -4.116 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.887 0.466 -5.817 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.333 -2.253 -4.493 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.598 -1.129 -4.947 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.408 -1.116 -6.905 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.797 -2.023 -8.294 1.00 0.00 H new ATOM 1392 N LEU A 87 -7.878 0.804 -4.204 1.00 0.00 N ATOM 1393 CA LEU A 87 -6.944 1.901 -4.136 1.00 0.00 C ATOM 1394 C LEU A 87 -5.596 1.488 -4.720 1.00 0.00 C ATOM 1395 O LEU A 87 -4.839 2.313 -5.208 1.00 0.00 O ATOM 1396 CB LEU A 87 -6.800 2.348 -2.687 1.00 0.00 C ATOM 1397 CG LEU A 87 -5.760 3.449 -2.531 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -5.938 4.148 -1.187 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.353 2.866 -2.646 1.00 0.00 C ATOM 0 H LEU A 87 -8.213 0.430 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.318 2.737 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.763 2.704 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.520 1.494 -2.070 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.897 4.181 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.190 4.934 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.935 4.586 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.817 3.424 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.618 3.663 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.203 2.121 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.232 2.397 -3.623 1.00 0.00 H new ATOM 1411 N VAL A 88 -5.345 0.169 -4.655 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.109 -0.312 -5.181 1.00 0.00 C ATOM 1413 C VAL A 88 -4.221 -0.498 -6.677 1.00 0.00 C ATOM 1414 O VAL A 88 -3.391 -0.038 -7.435 1.00 0.00 O ATOM 1415 CB VAL A 88 -3.778 -1.644 -4.551 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -2.854 -2.412 -5.476 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.140 -1.447 -3.182 1.00 0.00 C ATOM 0 H VAL A 88 -5.966 -0.536 -4.258 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.326 0.413 -4.960 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.694 -2.216 -4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.610 -3.375 -5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.349 -2.572 -6.434 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.938 -1.842 -5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.909 -2.419 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.222 -0.869 -3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.832 -0.912 -2.532 1.00 0.00 H new ATOM 1427 N GLU A 89 -5.280 -1.236 -7.048 1.00 0.00 N ATOM 1428 CA GLU A 89 -5.430 -1.501 -8.464 1.00 0.00 C ATOM 1429 C GLU A 89 -5.586 -0.202 -9.222 1.00 0.00 C ATOM 1430 O GLU A 89 -5.008 0.009 -10.281 1.00 0.00 O ATOM 1431 CB GLU A 89 -6.615 -2.404 -8.702 1.00 0.00 C ATOM 1432 CG GLU A 89 -7.928 -1.772 -8.284 1.00 0.00 C ATOM 1433 CD GLU A 89 -8.720 -1.344 -9.520 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -9.389 -2.190 -10.111 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -8.661 -0.168 -9.878 1.00 0.00 O ATOM 0 H GLU A 89 -5.990 -1.629 -6.431 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.535 -2.007 -8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.662 -2.663 -9.760 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.473 -3.334 -8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.511 -2.481 -7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.739 -0.908 -7.646 1.00 0.00 H new ATOM 1442 N HIS A 90 -6.405 0.651 -8.608 1.00 0.00 N ATOM 1443 CA HIS A 90 -6.633 1.931 -9.247 1.00 0.00 C ATOM 1444 C HIS A 90 -5.312 2.613 -9.456 1.00 0.00 C ATOM 1445 O HIS A 90 -4.946 3.012 -10.546 1.00 0.00 O ATOM 1446 CB HIS A 90 -7.522 2.806 -8.385 1.00 0.00 C ATOM 1447 CG HIS A 90 -8.228 3.812 -9.259 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -9.329 3.537 -9.991 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -7.889 5.160 -9.466 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -9.656 4.675 -10.626 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -8.802 5.670 -10.325 1.00 0.00 N ATOM 0 H HIS A 90 -6.891 0.490 -7.726 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.129 1.768 -10.204 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.251 2.193 -7.854 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -6.926 3.318 -7.630 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -7.058 5.689 -9.024 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.498 4.778 -11.294 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.836 6.627 -10.677 1.00 0.00 H new ATOM 1459 N TYR A 91 -4.644 2.732 -8.323 1.00 0.00 N ATOM 1460 CA TYR A 91 -3.346 3.363 -8.360 1.00 0.00 C ATOM 1461 C TYR A 91 -2.413 2.572 -9.275 1.00 0.00 C ATOM 1462 O TYR A 91 -1.441 3.099 -9.801 1.00 0.00 O ATOM 1463 CB TYR A 91 -2.780 3.486 -6.961 1.00 0.00 C ATOM 1464 CG TYR A 91 -3.226 4.778 -6.331 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -4.527 5.274 -6.587 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -2.361 5.517 -5.485 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -4.964 6.485 -6.008 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -2.801 6.733 -4.907 1.00 0.00 C ATOM 1469 CZ TYR A 91 -4.099 7.213 -5.167 1.00 0.00 C ATOM 1470 OH TYR A 91 -4.522 8.398 -4.600 1.00 0.00 O ATOM 0 H TYR A 91 -4.963 2.415 -7.407 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.445 4.370 -8.764 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.109 2.644 -6.352 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.691 3.447 -6.997 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.192 4.720 -7.232 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.365 5.152 -5.281 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -5.959 6.853 -6.209 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.139 7.294 -4.265 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.935 9.127 -4.890 1.00 0.00 H new ATOM 1480 N SER A 92 -2.756 1.274 -9.440 1.00 0.00 N ATOM 1481 CA SER A 92 -1.952 0.482 -10.352 1.00 0.00 C ATOM 1482 C SER A 92 -2.017 1.112 -11.749 1.00 0.00 C ATOM 1483 O SER A 92 -1.243 0.803 -12.646 1.00 0.00 O ATOM 1484 CB SER A 92 -2.527 -0.911 -10.398 1.00 0.00 C ATOM 1485 OG SER A 92 -1.514 -1.883 -10.335 1.00 0.00 O ATOM 0 H SER A 92 -3.531 0.793 -8.983 1.00 0.00 H new ATOM 0 HA SER A 92 -0.914 0.447 -10.020 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.219 -1.049 -9.567 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.101 -1.040 -11.315 1.00 0.00 H new ATOM 0 HG SER A 92 -1.916 -2.776 -10.365 1.00 0.00 H new ATOM 1491 N TYR A 93 -3.006 2.019 -11.847 1.00 0.00 N ATOM 1492 CA TYR A 93 -3.228 2.710 -13.091 1.00 0.00 C ATOM 1493 C TYR A 93 -2.369 3.952 -13.111 1.00 0.00 C ATOM 1494 O TYR A 93 -1.561 4.179 -13.999 1.00 0.00 O ATOM 1495 CB TYR A 93 -4.692 3.132 -13.170 1.00 0.00 C ATOM 1496 CG TYR A 93 -5.639 1.976 -12.980 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -5.181 0.638 -13.089 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -7.001 2.218 -12.683 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -6.074 -0.441 -12.907 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -7.896 1.137 -12.501 1.00 0.00 C ATOM 1501 CZ TYR A 93 -7.432 -0.192 -12.614 1.00 0.00 C ATOM 1502 OH TYR A 93 -8.305 -1.246 -12.438 1.00 0.00 O ATOM 0 H TYR A 93 -3.640 2.273 -11.090 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.979 2.060 -13.930 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.890 3.888 -12.410 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -4.881 3.596 -14.138 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.143 0.443 -13.313 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.359 3.233 -12.595 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.718 -1.457 -12.992 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -8.935 1.329 -12.276 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.201 -0.900 -12.242 1.00 0.00 H new ATOM 1512 N LYS A 94 -2.668 4.752 -12.081 1.00 0.00 N ATOM 1513 CA LYS A 94 -1.970 5.984 -11.902 1.00 0.00 C ATOM 1514 C LYS A 94 -1.543 6.175 -10.463 1.00 0.00 C ATOM 1515 O LYS A 94 -1.774 5.365 -9.576 1.00 0.00 O ATOM 1516 CB LYS A 94 -2.931 7.090 -12.230 1.00 0.00 C ATOM 1517 CG LYS A 94 -4.267 6.885 -11.502 1.00 0.00 C ATOM 1518 CD LYS A 94 -5.304 7.929 -11.914 1.00 0.00 C ATOM 1519 CE LYS A 94 -6.188 7.413 -13.052 1.00 0.00 C ATOM 1520 NZ LYS A 94 -7.217 8.372 -13.438 1.00 0.00 N ATOM 0 H LYS A 94 -3.382 4.553 -11.380 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.084 5.984 -12.537 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.500 8.049 -11.944 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.100 7.124 -13.306 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.650 5.888 -11.719 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.106 6.938 -10.425 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.925 8.187 -11.056 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.799 8.843 -12.228 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.565 7.185 -13.917 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.662 6.480 -12.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.788 7.976 -14.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.830 8.571 -12.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.768 9.254 -13.757 1.00 0.00 H new ATOM 1534 N ALA A 95 -0.908 7.332 -10.329 1.00 0.00 N ATOM 1535 CA ALA A 95 -0.451 7.750 -9.019 1.00 0.00 C ATOM 1536 C ALA A 95 -1.633 8.372 -8.268 1.00 0.00 C ATOM 1537 O ALA A 95 -1.873 8.106 -7.099 1.00 0.00 O ATOM 1538 CB ALA A 95 0.678 8.766 -9.175 1.00 0.00 C ATOM 0 H ALA A 95 -0.704 7.979 -11.091 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.072 6.897 -8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.023 9.081 -8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 95 1.505 8.310 -9.720 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.314 9.633 -9.726 1.00 0.00 H new ATOM 1544 N ASP A 96 -2.360 9.208 -9.035 1.00 0.00 N ATOM 1545 CA ASP A 96 -3.522 9.872 -8.450 1.00 0.00 C ATOM 1546 C ASP A 96 -3.106 10.966 -7.467 1.00 0.00 C ATOM 1547 O ASP A 96 -3.906 11.777 -7.018 1.00 0.00 O ATOM 1548 CB ASP A 96 -4.385 8.842 -7.754 1.00 0.00 C ATOM 1549 CG ASP A 96 -5.752 8.761 -8.433 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -6.439 9.779 -8.494 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -6.113 7.681 -8.893 1.00 0.00 O ATOM 0 H ASP A 96 -2.170 9.427 -10.013 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.088 10.349 -9.250 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.897 7.868 -7.783 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.507 9.107 -6.704 1.00 0.00 H new ATOM 1556 N GLY A 97 -1.813 10.922 -7.178 1.00 0.00 N ATOM 1557 CA GLY A 97 -1.261 11.896 -6.256 1.00 0.00 C ATOM 1558 C GLY A 97 0.119 11.476 -5.729 1.00 0.00 C ATOM 1559 O GLY A 97 0.896 12.296 -5.256 1.00 0.00 O ATOM 0 H GLY A 97 -1.149 10.246 -7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.179 12.861 -6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.944 12.028 -5.417 1.00 0.00 H new ATOM 1563 N LEU A 98 0.368 10.152 -5.830 1.00 0.00 N ATOM 1564 CA LEU A 98 1.646 9.659 -5.363 1.00 0.00 C ATOM 1565 C LEU A 98 2.747 10.453 -6.052 1.00 0.00 C ATOM 1566 O LEU A 98 2.517 11.480 -6.678 1.00 0.00 O ATOM 1567 CB LEU A 98 1.803 8.191 -5.748 1.00 0.00 C ATOM 1568 CG LEU A 98 0.588 7.361 -5.374 1.00 0.00 C ATOM 1569 CD1 LEU A 98 0.642 6.007 -6.063 1.00 0.00 C ATOM 1570 CD2 LEU A 98 0.523 7.189 -3.861 1.00 0.00 C ATOM 0 H LEU A 98 -0.270 9.453 -6.211 1.00 0.00 H new ATOM 0 HA LEU A 98 1.706 9.764 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.974 8.116 -6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.685 7.781 -5.256 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.312 7.879 -5.706 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.235 5.422 -5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.657 6.149 -7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.543 5.477 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.351 6.593 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.424 6.684 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.450 8.167 -3.386 1.00 0.00 H new ATOM 1582 N LEU A 99 3.955 9.893 -5.904 1.00 0.00 N ATOM 1583 CA LEU A 99 5.083 10.508 -6.572 1.00 0.00 C ATOM 1584 C LEU A 99 5.054 10.053 -8.034 1.00 0.00 C ATOM 1585 O LEU A 99 5.252 10.824 -8.964 1.00 0.00 O ATOM 1586 CB LEU A 99 6.377 10.072 -5.894 1.00 0.00 C ATOM 1587 CG LEU A 99 7.416 11.191 -5.880 1.00 0.00 C ATOM 1588 CD1 LEU A 99 7.748 11.631 -7.303 1.00 0.00 C ATOM 1589 CD2 LEU A 99 6.907 12.376 -5.057 1.00 0.00 C ATOM 0 H LEU A 99 4.161 9.058 -5.355 1.00 0.00 H new ATOM 0 HA LEU A 99 5.028 11.595 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 99 6.164 9.761 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.785 9.204 -6.413 1.00 0.00 H new ATOM 0 HG LEU A 99 8.328 10.813 -5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.490 12.429 -7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.148 10.785 -7.862 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.844 11.994 -7.792 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.657 13.167 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.983 12.753 -5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.717 12.053 -4.033 1.00 0.00 H new ATOM 1601 N ARG A 100 4.784 8.736 -8.149 1.00 0.00 N ATOM 1602 CA ARG A 100 4.687 8.136 -9.460 1.00 0.00 C ATOM 1603 C ARG A 100 3.726 6.951 -9.376 1.00 0.00 C ATOM 1604 O ARG A 100 3.516 6.363 -8.322 1.00 0.00 O ATOM 1605 CB ARG A 100 6.062 7.669 -9.910 1.00 0.00 C ATOM 1606 CG ARG A 100 6.090 7.361 -11.408 1.00 0.00 C ATOM 1607 CD ARG A 100 5.882 8.621 -12.248 1.00 0.00 C ATOM 1608 NE ARG A 100 6.958 9.565 -12.012 1.00 0.00 N ATOM 1609 CZ ARG A 100 8.095 9.442 -12.723 1.00 0.00 C ATOM 1610 NH1 ARG A 100 8.217 8.472 -13.625 1.00 0.00 N ATOM 1611 NH2 ARG A 100 9.098 10.292 -12.523 1.00 0.00 N ATOM 0 H ARG A 100 4.636 8.099 -7.366 1.00 0.00 H new ATOM 0 HA ARG A 100 4.315 8.861 -10.184 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.800 8.438 -9.682 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.346 6.778 -9.349 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.045 6.904 -11.668 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.314 6.634 -11.645 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.844 8.359 -13.305 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.925 9.079 -11.998 1.00 0.00 H new ATOM 0 HE ARG A 100 6.855 10.308 -11.321 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.448 7.819 -13.779 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.079 8.381 -14.162 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.006 11.036 -11.832 1.00 0.00 H new ATOM 0 HH22 ARG A 100 9.960 10.200 -13.061 1.00 0.00 H new ATOM 1625 N VAL A 101 3.164 6.645 -10.552 1.00 0.00 N ATOM 1626 CA VAL A 101 2.237 5.548 -10.624 1.00 0.00 C ATOM 1627 C VAL A 101 2.876 4.280 -10.063 1.00 0.00 C ATOM 1628 O VAL A 101 4.058 4.225 -9.746 1.00 0.00 O ATOM 1629 CB VAL A 101 1.918 5.303 -12.079 1.00 0.00 C ATOM 1630 CG1 VAL A 101 0.677 4.464 -12.199 1.00 0.00 C ATOM 1631 CG2 VAL A 101 1.752 6.619 -12.844 1.00 0.00 C ATOM 0 H VAL A 101 3.337 7.133 -11.431 1.00 0.00 H new ATOM 0 HA VAL A 101 1.342 5.790 -10.050 1.00 0.00 H new ATOM 0 HB VAL A 101 2.756 4.766 -12.524 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.454 4.292 -13.252 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.835 3.507 -11.701 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.160 4.983 -11.731 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.523 6.406 -13.888 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.938 7.195 -12.404 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.677 7.193 -12.785 1.00 0.00 H new ATOM 1641 N LEU A 102 1.998 3.272 -9.975 1.00 0.00 N ATOM 1642 CA LEU A 102 2.441 1.968 -9.534 1.00 0.00 C ATOM 1643 C LEU A 102 2.415 1.051 -10.741 1.00 0.00 C ATOM 1644 O LEU A 102 1.699 1.272 -11.710 1.00 0.00 O ATOM 1645 CB LEU A 102 1.493 1.407 -8.497 1.00 0.00 C ATOM 1646 CG LEU A 102 1.655 2.030 -7.109 1.00 0.00 C ATOM 1647 CD1 LEU A 102 1.688 3.553 -7.167 1.00 0.00 C ATOM 1648 CD2 LEU A 102 0.508 1.583 -6.219 1.00 0.00 C ATOM 0 H LEU A 102 1.005 3.342 -10.199 1.00 0.00 H new ATOM 0 HA LEU A 102 3.437 2.046 -9.098 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.468 1.559 -8.836 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.648 0.331 -8.422 1.00 0.00 H new ATOM 0 HG LEU A 102 2.608 1.692 -6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.804 3.953 -6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.526 3.876 -7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.757 3.921 -7.598 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.621 2.026 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.438 1.906 -6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.516 0.496 -6.133 1.00 0.00 H new ATOM 1660 N THR A 103 3.240 0.021 -10.615 1.00 0.00 N ATOM 1661 CA THR A 103 3.314 -0.930 -11.684 1.00 0.00 C ATOM 1662 C THR A 103 3.698 -2.323 -11.155 1.00 0.00 C ATOM 1663 O THR A 103 3.330 -3.344 -11.723 1.00 0.00 O ATOM 1664 CB THR A 103 4.346 -0.406 -12.666 1.00 0.00 C ATOM 1665 OG1 THR A 103 3.713 0.406 -13.623 1.00 0.00 O ATOM 1666 CG2 THR A 103 5.094 -1.522 -13.359 1.00 0.00 C ATOM 0 H THR A 103 3.841 -0.164 -9.812 1.00 0.00 H new ATOM 0 HA THR A 103 2.346 -1.044 -12.172 1.00 0.00 H new ATOM 0 HB THR A 103 5.075 0.175 -12.101 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.931 0.837 -13.220 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.821 -1.098 -14.051 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.612 -2.129 -12.616 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.389 -2.145 -13.910 1.00 0.00 H new ATOM 1674 N VAL A 104 4.460 -2.302 -10.041 1.00 0.00 N ATOM 1675 CA VAL A 104 4.906 -3.582 -9.492 1.00 0.00 C ATOM 1676 C VAL A 104 4.827 -3.628 -7.966 1.00 0.00 C ATOM 1677 O VAL A 104 5.017 -2.632 -7.281 1.00 0.00 O ATOM 1678 CB VAL A 104 6.372 -3.767 -9.856 1.00 0.00 C ATOM 1679 CG1 VAL A 104 6.793 -5.232 -9.743 1.00 0.00 C ATOM 1680 CG2 VAL A 104 6.669 -3.242 -11.255 1.00 0.00 C ATOM 0 H VAL A 104 4.760 -1.467 -9.537 1.00 0.00 H new ATOM 0 HA VAL A 104 4.257 -4.356 -9.902 1.00 0.00 H new ATOM 0 HB VAL A 104 6.954 -3.186 -9.141 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.845 -5.330 -10.010 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.645 -5.575 -8.719 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.190 -5.837 -10.419 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.725 -3.390 -11.483 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.062 -3.781 -11.982 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.433 -2.179 -11.302 1.00 0.00 H new ATOM 1690 N PRO A 105 4.542 -4.863 -7.465 1.00 0.00 N ATOM 1691 CA PRO A 105 4.539 -5.135 -6.039 1.00 0.00 C ATOM 1692 C PRO A 105 5.982 -5.109 -5.534 1.00 0.00 C ATOM 1693 O PRO A 105 6.892 -5.568 -6.211 1.00 0.00 O ATOM 1694 CB PRO A 105 3.945 -6.534 -5.876 1.00 0.00 C ATOM 1695 CG PRO A 105 3.733 -7.100 -7.290 1.00 0.00 C ATOM 1696 CD PRO A 105 4.102 -5.987 -8.279 1.00 0.00 C ATOM 0 HA PRO A 105 3.963 -4.401 -5.476 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.615 -7.173 -5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.001 -6.491 -5.332 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.356 -7.980 -7.450 1.00 0.00 H new ATOM 0 HG3 PRO A 105 2.698 -7.412 -7.429 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.892 -6.312 -8.957 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.246 -5.712 -8.895 1.00 0.00 H new ATOM 1704 N CYS A 106 6.148 -4.563 -4.324 1.00 0.00 N ATOM 1705 CA CYS A 106 7.505 -4.443 -3.842 1.00 0.00 C ATOM 1706 C CYS A 106 7.957 -5.681 -3.083 1.00 0.00 C ATOM 1707 O CYS A 106 8.789 -6.456 -3.541 1.00 0.00 O ATOM 1708 CB CYS A 106 7.608 -3.213 -2.960 1.00 0.00 C ATOM 1709 SG CYS A 106 9.080 -2.231 -3.324 1.00 0.00 S ATOM 0 H CYS A 106 5.411 -4.222 -3.707 1.00 0.00 H new ATOM 0 HA CYS A 106 8.166 -4.344 -4.703 1.00 0.00 H new ATOM 0 HB2 CYS A 106 6.720 -2.596 -3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 106 7.627 -3.519 -1.914 1.00 0.00 H new ATOM 0 HG CYS A 106 10.047 -3.019 -3.690 1.00 0.00 H new ATOM 1715 N GLN A 107 7.362 -5.804 -1.894 1.00 0.00 N ATOM 1716 CA GLN A 107 7.734 -6.888 -1.040 1.00 0.00 C ATOM 1717 C GLN A 107 7.981 -8.172 -1.792 1.00 0.00 C ATOM 1718 O GLN A 107 7.626 -8.373 -2.947 1.00 0.00 O ATOM 1719 CB GLN A 107 6.671 -7.084 0.001 1.00 0.00 C ATOM 1720 CG GLN A 107 7.299 -7.318 1.362 1.00 0.00 C ATOM 1721 CD GLN A 107 6.212 -7.344 2.427 1.00 0.00 C ATOM 1722 OE1 GLN A 107 5.149 -6.769 2.264 1.00 0.00 O ATOM 1723 NE2 GLN A 107 6.557 -8.050 3.520 1.00 0.00 N ATOM 0 H GLN A 107 6.645 -5.178 -1.526 1.00 0.00 H new ATOM 0 HA GLN A 107 8.680 -6.625 -0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.024 -6.208 0.038 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.043 -7.933 -0.267 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.847 -8.260 1.364 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.019 -6.530 1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.471 -8.499 3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 107 5.904 -8.136 4.299 1.00 0.00 H new ATOM 1857 N GLU B 3 4.748 10.764 2.530 1.00 0.00 N ATOM 1858 CA GLU B 3 4.839 11.650 1.393 1.00 0.00 C ATOM 1859 C GLU B 3 3.485 12.303 1.182 1.00 0.00 C ATOM 1860 O GLU B 3 2.517 12.010 1.875 1.00 0.00 O ATOM 1861 CB GLU B 3 5.257 10.868 0.176 1.00 0.00 C ATOM 1862 CG GLU B 3 6.753 10.615 0.202 1.00 0.00 C ATOM 1863 CD GLU B 3 7.519 11.928 0.378 1.00 0.00 C ATOM 1864 OE1 GLU B 3 7.108 12.930 -0.206 1.00 0.00 O ATOM 1865 OE2 GLU B 3 8.519 11.932 1.095 1.00 0.00 O ATOM 0 HA GLU B 3 5.586 12.424 1.569 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.721 9.919 0.143 1.00 0.00 H new ATOM 0 HB3 GLU B 3 4.990 11.417 -0.727 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.998 9.933 1.016 1.00 0.00 H new ATOM 0 HG3 GLU B 3 7.061 10.129 -0.724 1.00 0.00 H new ATOM 1872 N THR B 4 3.467 13.202 0.189 1.00 0.00 N ATOM 1873 CA THR B 4 2.217 13.871 -0.074 1.00 0.00 C ATOM 1874 C THR B 4 1.638 13.394 -1.391 1.00 0.00 C ATOM 1875 O THR B 4 2.160 13.623 -2.476 1.00 0.00 O ATOM 1876 CB THR B 4 2.429 15.378 -0.073 1.00 0.00 C ATOM 1877 OG1 THR B 4 3.688 15.680 -0.627 1.00 0.00 O ATOM 1878 CG2 THR B 4 2.341 15.964 1.336 1.00 0.00 C ATOM 0 H THR B 4 4.256 13.462 -0.403 1.00 0.00 H new ATOM 0 HA THR B 4 1.502 13.629 0.712 1.00 0.00 H new ATOM 0 HB THR B 4 1.636 15.824 -0.673 1.00 0.00 H new ATOM 0 HG1 THR B 4 3.821 16.651 -0.627 1.00 0.00 H new ATOM 0 HG21 THR B 4 2.498 17.042 1.292 1.00 0.00 H new ATOM 0 HG22 THR B 4 1.356 15.757 1.755 1.00 0.00 H new ATOM 0 HG23 THR B 4 3.106 15.511 1.967 1.00 0.00 H new ATOM 1886 N LEU B 5 0.512 12.711 -1.183 1.00 0.00 N ATOM 1887 CA LEU B 5 -0.200 12.141 -2.281 1.00 0.00 C ATOM 1888 C LEU B 5 -0.986 13.227 -3.016 1.00 0.00 C ATOM 1889 O LEU B 5 -2.154 13.066 -3.347 1.00 0.00 O ATOM 1890 CB LEU B 5 -1.124 11.081 -1.722 1.00 0.00 C ATOM 1891 CG LEU B 5 -0.769 9.747 -2.322 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.194 8.607 -1.426 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -1.429 9.619 -3.667 1.00 0.00 C ATOM 0 H LEU B 5 0.093 12.551 -0.267 1.00 0.00 H new ATOM 0 HA LEU B 5 0.485 11.693 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.035 11.040 -0.636 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.161 11.330 -1.948 1.00 0.00 H new ATOM 0 HG LEU B 5 0.314 9.694 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.922 7.659 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.693 8.696 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.273 8.643 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -1.175 8.654 -4.106 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -2.510 9.691 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -1.081 10.418 -4.321 1.00 0.00 H new