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 53 CYS SG : rot -94:sc= 0.247! USER MOD Set 1.2: A 62 HIS : no HD1:sc= -3.61! C(o=-3.4!,f=-18!) USER MOD Set 2.1: A 36 ASN : amide:sc= -7.19! C(o=-8.5!,f=-12!) USER MOD Set 2.2: A 56 HIS : no HD1:sc= -1.32 K(o=-8.5,f=-9.1) USER MOD Set 3.1: A 17 HIS : no HD1:sc= -2.13 X(o=-4.8,f=-5.1) USER MOD Set 3.2: A 107 GLN : amide:sc= -2.68 K(o=-4.8,f=-11!) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0707 USER MOD Single : A 27 GLN : amide:sc= -0.0717 X(o=-0.072,f=0.14) USER MOD Single : A 33 SER OG : rot -89:sc= -5.76! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= -0.0145 (180deg=-0.291) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -122:sc= 0.312 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 163:sc= 1.27 (180deg=0.395) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 138:sc= -0.0479 (180deg=-2.22!) USER MOD Single : A 74 SER OG : rot 28:sc= -1.36! USER MOD Single : A 79 LYS NZ :NH3+ 161:sc= -0.0275 (180deg=-0.307) USER MOD Single : A 80 LYS NZ :NH3+ 153:sc= -0.0887 (180deg=-0.466) USER MOD Single : A 83 THR OG1 : rot 180:sc=-0.00483 USER MOD Single : A 86 GLN : amide:sc= -1.01 K(o=-1,f=-0.26) USER MOD Single : A 90 HIS : no HD1:sc= -2.52 K(o=-2.5,f=-1.6) USER MOD Single : A 91 TYR OH : rot -116:sc= -0.661 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 156:sc= 0.171 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 43:sc= 0.00158 USER MOD Single : A 106 CYS SG : rot -30:sc= -14.4! USER MOD Single : B 4 THR OG1 : rot 180:sc= 0.00379 USER MOD ----------------------------------------------------------------- ATOM 209 N TRP A 15 3.372 -7.099 -3.749 1.00 0.00 N ATOM 210 CA TRP A 15 3.155 -5.710 -3.355 1.00 0.00 C ATOM 211 C TRP A 15 2.195 -5.621 -2.160 1.00 0.00 C ATOM 212 O TRP A 15 1.825 -4.537 -1.731 1.00 0.00 O ATOM 213 CB TRP A 15 2.597 -4.880 -4.533 1.00 0.00 C ATOM 214 CG TRP A 15 1.670 -5.700 -5.424 1.00 0.00 C ATOM 215 CD1 TRP A 15 0.864 -6.755 -5.009 1.00 0.00 C ATOM 216 CD2 TRP A 15 1.460 -5.539 -6.830 1.00 0.00 C ATOM 217 NE1 TRP A 15 0.167 -7.247 -6.076 1.00 0.00 N ATOM 218 CE2 TRP A 15 0.505 -6.526 -7.225 1.00 0.00 C ATOM 219 CE3 TRP A 15 1.988 -4.660 -7.766 1.00 0.00 C ATOM 220 CZ2 TRP A 15 0.093 -6.620 -8.548 1.00 0.00 C ATOM 221 CZ3 TRP A 15 1.576 -4.747 -9.120 1.00 0.00 C ATOM 222 CH2 TRP A 15 0.627 -5.728 -9.511 1.00 0.00 C ATOM 0 HA TRP A 15 4.121 -5.299 -3.062 1.00 0.00 H new ATOM 0 HB2 TRP A 15 2.056 -4.018 -4.144 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.425 -4.495 -5.129 1.00 0.00 H new ATOM 0 HD1 TRP A 15 0.799 -7.128 -3.998 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.497 -8.020 -6.040 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.709 -3.914 -7.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -0.629 -7.368 -8.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 1.984 -4.067 -9.854 1.00 0.00 H new ATOM 0 HH2 TRP A 15 0.312 -5.794 -10.542 1.00 0.00 H new ATOM 233 N PHE A 16 1.817 -6.807 -1.641 1.00 0.00 N ATOM 234 CA PHE A 16 0.922 -6.787 -0.507 1.00 0.00 C ATOM 235 C PHE A 16 1.332 -7.823 0.530 1.00 0.00 C ATOM 236 O PHE A 16 0.833 -8.941 0.562 1.00 0.00 O ATOM 237 CB PHE A 16 -0.495 -7.061 -0.978 1.00 0.00 C ATOM 238 CG PHE A 16 -1.495 -6.849 0.133 1.00 0.00 C ATOM 239 CD1 PHE A 16 -1.077 -6.385 1.412 1.00 0.00 C ATOM 240 CD2 PHE A 16 -2.867 -7.132 -0.077 1.00 0.00 C ATOM 241 CE1 PHE A 16 -2.013 -6.213 2.455 1.00 0.00 C ATOM 242 CE2 PHE A 16 -3.803 -6.958 0.970 1.00 0.00 C ATOM 243 CZ PHE A 16 -3.375 -6.499 2.234 1.00 0.00 C ATOM 0 H PHE A 16 2.104 -7.727 -1.975 1.00 0.00 H new ATOM 0 HA PHE A 16 0.972 -5.803 -0.041 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.735 -6.406 -1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.567 -8.085 -1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.035 -6.163 1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.201 -7.483 -1.042 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.685 -5.862 3.422 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.847 -7.177 0.801 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.091 -6.367 3.032 1.00 0.00 H new ATOM 253 N HIS A 17 2.269 -7.373 1.375 1.00 0.00 N ATOM 254 CA HIS A 17 2.716 -8.248 2.436 1.00 0.00 C ATOM 255 C HIS A 17 2.175 -7.716 3.757 1.00 0.00 C ATOM 256 O HIS A 17 2.498 -6.620 4.197 1.00 0.00 O ATOM 257 CB HIS A 17 4.233 -8.295 2.472 1.00 0.00 C ATOM 258 CG HIS A 17 4.724 -9.383 1.548 1.00 0.00 C ATOM 259 ND1 HIS A 17 5.605 -10.340 1.912 1.00 0.00 N ATOM 260 CD2 HIS A 17 4.372 -9.600 0.204 1.00 0.00 C ATOM 261 CE1 HIS A 17 5.788 -11.118 0.832 1.00 0.00 C ATOM 262 NE2 HIS A 17 5.055 -10.692 -0.212 1.00 0.00 N ATOM 0 H HIS A 17 2.707 -6.452 1.341 1.00 0.00 H new ATOM 0 HA HIS A 17 2.349 -9.260 2.264 1.00 0.00 H new ATOM 0 HB2 HIS A 17 4.645 -7.332 2.169 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.578 -8.483 3.489 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.687 -9.008 -0.384 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.442 -11.977 0.806 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.020 -11.112 -1.141 1.00 0.00 H new ATOM 353 N GLU A 23 9.146 0.188 7.723 1.00 0.00 N ATOM 354 CA GLU A 23 10.499 0.466 7.343 1.00 0.00 C ATOM 355 C GLU A 23 11.021 -0.700 6.524 1.00 0.00 C ATOM 356 O GLU A 23 11.662 -0.548 5.496 1.00 0.00 O ATOM 357 CB GLU A 23 11.294 0.616 8.633 1.00 0.00 C ATOM 358 CG GLU A 23 11.908 -0.694 9.118 1.00 0.00 C ATOM 359 CD GLU A 23 12.814 -0.431 10.322 1.00 0.00 C ATOM 360 OE1 GLU A 23 12.290 -0.203 11.412 1.00 0.00 O ATOM 361 OE2 GLU A 23 14.032 -0.457 10.158 1.00 0.00 O ATOM 0 HA GLU A 23 10.581 1.372 6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.088 1.347 8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.641 1.013 9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.120 -1.396 9.391 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.482 -1.156 8.315 1.00 0.00 H new ATOM 368 N GLU A 24 10.689 -1.868 7.081 1.00 0.00 N ATOM 369 CA GLU A 24 11.100 -3.100 6.445 1.00 0.00 C ATOM 370 C GLU A 24 10.828 -3.031 4.940 1.00 0.00 C ATOM 371 O GLU A 24 11.658 -3.395 4.116 1.00 0.00 O ATOM 372 CB GLU A 24 10.336 -4.251 7.084 1.00 0.00 C ATOM 373 CG GLU A 24 10.507 -4.251 8.603 1.00 0.00 C ATOM 374 CD GLU A 24 11.855 -4.872 8.974 1.00 0.00 C ATOM 375 OE1 GLU A 24 12.867 -4.455 8.414 1.00 0.00 O ATOM 376 OE2 GLU A 24 11.877 -5.767 9.818 1.00 0.00 O ATOM 0 H GLU A 24 10.154 -1.976 7.943 1.00 0.00 H new ATOM 0 HA GLU A 24 12.170 -3.256 6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.278 -4.172 6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.690 -5.197 6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.449 -3.232 8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.697 -4.812 9.069 1.00 0.00 H new ATOM 383 N SER A 25 9.616 -2.527 4.647 1.00 0.00 N ATOM 384 CA SER A 25 9.215 -2.416 3.249 1.00 0.00 C ATOM 385 C SER A 25 9.942 -1.257 2.547 1.00 0.00 C ATOM 386 O SER A 25 10.118 -1.254 1.334 1.00 0.00 O ATOM 387 CB SER A 25 7.704 -2.205 3.187 1.00 0.00 C ATOM 388 OG SER A 25 7.101 -2.577 4.401 1.00 0.00 O ATOM 0 H SER A 25 8.930 -2.205 5.330 1.00 0.00 H new ATOM 0 HA SER A 25 9.487 -3.335 2.729 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.486 -1.159 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.283 -2.792 2.371 1.00 0.00 H new ATOM 0 HG SER A 25 6.133 -2.433 4.343 1.00 0.00 H new ATOM 394 N GLU A 26 10.349 -0.283 3.381 1.00 0.00 N ATOM 395 CA GLU A 26 11.027 0.872 2.844 1.00 0.00 C ATOM 396 C GLU A 26 12.515 0.579 2.593 1.00 0.00 C ATOM 397 O GLU A 26 13.168 1.237 1.792 1.00 0.00 O ATOM 398 CB GLU A 26 10.838 2.006 3.847 1.00 0.00 C ATOM 399 CG GLU A 26 12.139 2.748 4.130 1.00 0.00 C ATOM 400 CD GLU A 26 11.914 3.813 5.206 1.00 0.00 C ATOM 401 OE1 GLU A 26 10.892 3.752 5.888 1.00 0.00 O ATOM 402 OE2 GLU A 26 12.763 4.691 5.348 1.00 0.00 O ATOM 0 H GLU A 26 10.219 -0.284 4.393 1.00 0.00 H new ATOM 0 HA GLU A 26 10.609 1.149 1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.097 2.708 3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.442 1.602 4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.904 2.044 4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.506 3.215 3.216 1.00 0.00 H new ATOM 409 N GLN A 27 13.002 -0.442 3.317 1.00 0.00 N ATOM 410 CA GLN A 27 14.397 -0.808 3.129 1.00 0.00 C ATOM 411 C GLN A 27 14.461 -1.675 1.883 1.00 0.00 C ATOM 412 O GLN A 27 15.439 -1.708 1.151 1.00 0.00 O ATOM 413 CB GLN A 27 14.935 -1.567 4.344 1.00 0.00 C ATOM 414 CG GLN A 27 14.190 -1.199 5.626 1.00 0.00 C ATOM 415 CD GLN A 27 15.116 -1.366 6.832 1.00 0.00 C ATOM 416 OE1 GLN A 27 14.941 -2.245 7.666 1.00 0.00 O ATOM 417 NE2 GLN A 27 16.108 -0.458 6.862 1.00 0.00 N ATOM 0 H GLN A 27 12.480 -0.995 3.997 1.00 0.00 H new ATOM 0 HA GLN A 27 15.015 0.083 3.016 1.00 0.00 H new ATOM 0 HB2 GLN A 27 14.847 -2.639 4.169 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.996 -1.350 4.466 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.836 -0.170 5.568 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.311 -1.833 5.741 1.00 0.00 H new ATOM 0 HE21 GLN A 27 16.181 0.242 6.124 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.787 -0.470 7.623 1.00 0.00 H new ATOM 426 N ILE A 28 13.328 -2.366 1.699 1.00 0.00 N ATOM 427 CA ILE A 28 13.206 -3.197 0.557 1.00 0.00 C ATOM 428 C ILE A 28 13.193 -2.318 -0.679 1.00 0.00 C ATOM 429 O ILE A 28 13.807 -2.600 -1.700 1.00 0.00 O ATOM 430 CB ILE A 28 11.895 -3.937 0.702 1.00 0.00 C ATOM 431 CG1 ILE A 28 12.061 -5.196 1.534 1.00 0.00 C ATOM 432 CG2 ILE A 28 11.325 -4.278 -0.658 1.00 0.00 C ATOM 433 CD1 ILE A 28 10.750 -5.565 2.225 1.00 0.00 C ATOM 0 H ILE A 28 12.520 -2.350 2.322 1.00 0.00 H new ATOM 0 HA ILE A 28 14.031 -3.904 0.467 1.00 0.00 H new ATOM 0 HB ILE A 28 11.198 -3.280 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.386 -6.019 0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.841 -5.044 2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.382 -4.810 -0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 28 11.153 -3.361 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 28 12.029 -4.909 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.892 -6.470 2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.441 -4.750 2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.979 -5.739 1.474 1.00 0.00 H new ATOM 445 N VAL A 29 12.423 -1.243 -0.516 1.00 0.00 N ATOM 446 CA VAL A 29 12.344 -0.297 -1.601 1.00 0.00 C ATOM 447 C VAL A 29 13.726 0.270 -1.876 1.00 0.00 C ATOM 448 O VAL A 29 14.054 0.671 -2.985 1.00 0.00 O ATOM 449 CB VAL A 29 11.379 0.818 -1.195 1.00 0.00 C ATOM 450 CG1 VAL A 29 11.821 2.159 -1.773 1.00 0.00 C ATOM 451 CG2 VAL A 29 9.944 0.501 -1.619 1.00 0.00 C ATOM 0 H VAL A 29 11.875 -1.021 0.315 1.00 0.00 H new ATOM 0 HA VAL A 29 11.982 -0.781 -2.508 1.00 0.00 H new ATOM 0 HB VAL A 29 11.400 0.886 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.118 2.935 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.816 2.405 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.845 2.096 -2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.286 1.315 -1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.902 0.386 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.620 -0.425 -1.143 1.00 0.00 H new ATOM 461 N LEU A 30 14.507 0.275 -0.796 1.00 0.00 N ATOM 462 CA LEU A 30 15.829 0.769 -0.915 1.00 0.00 C ATOM 463 C LEU A 30 16.575 -0.112 -1.916 1.00 0.00 C ATOM 464 O LEU A 30 17.407 0.338 -2.694 1.00 0.00 O ATOM 465 CB LEU A 30 16.421 0.683 0.488 1.00 0.00 C ATOM 466 CG LEU A 30 17.496 -0.385 0.621 1.00 0.00 C ATOM 467 CD1 LEU A 30 18.844 0.138 0.149 1.00 0.00 C ATOM 468 CD2 LEU A 30 17.588 -0.867 2.054 1.00 0.00 C ATOM 0 H LEU A 30 14.236 -0.051 0.132 1.00 0.00 H new ATOM 0 HA LEU A 30 15.889 1.795 -1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.844 1.651 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.622 0.476 1.200 1.00 0.00 H new ATOM 0 HG LEU A 30 17.218 -1.227 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 30 19.595 -0.645 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.773 0.434 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.131 1.000 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.362 -1.631 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 30 17.839 -0.029 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.630 -1.289 2.358 1.00 0.00 H new ATOM 480 N ILE A 31 16.198 -1.405 -1.828 1.00 0.00 N ATOM 481 CA ILE A 31 16.804 -2.366 -2.698 1.00 0.00 C ATOM 482 C ILE A 31 16.454 -2.014 -4.113 1.00 0.00 C ATOM 483 O ILE A 31 17.279 -1.656 -4.946 1.00 0.00 O ATOM 484 CB ILE A 31 16.246 -3.763 -2.437 1.00 0.00 C ATOM 485 CG1 ILE A 31 15.772 -3.972 -1.013 1.00 0.00 C ATOM 486 CG2 ILE A 31 17.267 -4.788 -2.811 1.00 0.00 C ATOM 487 CD1 ILE A 31 16.801 -4.718 -0.163 1.00 0.00 C ATOM 0 H ILE A 31 15.501 -1.773 -1.181 1.00 0.00 H new ATOM 0 HA ILE A 31 17.880 -2.357 -2.525 1.00 0.00 H new ATOM 0 HB ILE A 31 15.359 -3.873 -3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 31 15.560 -3.005 -0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.837 -4.532 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.867 -5.785 -2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 31 17.513 -4.688 -3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 31 18.167 -4.640 -2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 31 16.415 -4.843 0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 31 16.994 -5.697 -0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 31 17.728 -4.146 -0.129 1.00 0.00 H new ATOM 499 N GLY A 32 15.143 -2.159 -4.303 1.00 0.00 N ATOM 500 CA GLY A 32 14.605 -1.926 -5.613 1.00 0.00 C ATOM 501 C GLY A 32 14.141 -0.483 -5.790 1.00 0.00 C ATOM 502 O GLY A 32 14.684 0.445 -5.208 1.00 0.00 O ATOM 0 H GLY A 32 14.468 -2.427 -3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.361 -2.158 -6.363 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.767 -2.601 -5.786 1.00 0.00 H new ATOM 506 N SER A 33 13.110 -0.372 -6.646 1.00 0.00 N ATOM 507 CA SER A 33 12.562 0.944 -6.924 1.00 0.00 C ATOM 508 C SER A 33 13.570 1.748 -7.741 1.00 0.00 C ATOM 509 O SER A 33 14.282 1.206 -8.578 1.00 0.00 O ATOM 510 CB SER A 33 12.210 1.646 -5.616 1.00 0.00 C ATOM 511 OG SER A 33 13.337 2.273 -5.062 1.00 0.00 O ATOM 0 H SER A 33 12.663 -1.148 -7.133 1.00 0.00 H new ATOM 0 HA SER A 33 11.646 0.852 -7.507 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.429 2.385 -5.795 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.807 0.922 -4.908 1.00 0.00 H new ATOM 0 HG SER A 33 13.805 1.644 -4.473 1.00 0.00 H new ATOM 517 N LYS A 34 13.573 3.071 -7.454 1.00 0.00 N ATOM 518 CA LYS A 34 14.494 3.945 -8.172 1.00 0.00 C ATOM 519 C LYS A 34 13.846 4.428 -9.451 1.00 0.00 C ATOM 520 O LYS A 34 13.732 5.614 -9.737 1.00 0.00 O ATOM 521 CB LYS A 34 15.745 3.166 -8.547 1.00 0.00 C ATOM 522 CG LYS A 34 16.950 4.082 -8.684 1.00 0.00 C ATOM 523 CD LYS A 34 18.019 3.776 -7.634 1.00 0.00 C ATOM 524 CE LYS A 34 18.749 2.468 -7.942 1.00 0.00 C ATOM 525 NZ LYS A 34 19.791 2.170 -6.967 1.00 0.00 N ATOM 0 H LYS A 34 12.976 3.527 -6.764 1.00 0.00 H new ATOM 0 HA LYS A 34 14.747 4.790 -7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.946 2.410 -7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.579 2.638 -9.486 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.378 3.973 -9.681 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.631 5.120 -8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.738 4.595 -7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.556 3.712 -6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.029 1.650 -7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.192 2.528 -8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.256 1.275 -7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.494 2.937 -6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.367 2.086 -6.021 1.00 0.00 H new ATOM 539 N THR A 35 13.438 3.395 -10.187 1.00 0.00 N ATOM 540 CA THR A 35 12.820 3.614 -11.480 1.00 0.00 C ATOM 541 C THR A 35 11.540 4.454 -11.397 1.00 0.00 C ATOM 542 O THR A 35 10.867 4.704 -12.389 1.00 0.00 O ATOM 543 CB THR A 35 12.514 2.250 -12.073 1.00 0.00 C ATOM 544 OG1 THR A 35 13.149 1.242 -11.321 1.00 0.00 O ATOM 545 CG2 THR A 35 12.969 2.158 -13.517 1.00 0.00 C ATOM 0 H THR A 35 13.525 2.417 -9.911 1.00 0.00 H new ATOM 0 HA THR A 35 13.509 4.180 -12.107 1.00 0.00 H new ATOM 0 HB THR A 35 11.433 2.111 -12.042 1.00 0.00 H new ATOM 0 HG1 THR A 35 12.945 0.366 -11.710 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.735 1.169 -13.910 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.455 2.915 -14.109 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.045 2.324 -13.571 1.00 0.00 H new ATOM 553 N ASN A 36 11.262 4.862 -10.166 1.00 0.00 N ATOM 554 CA ASN A 36 10.084 5.671 -9.940 1.00 0.00 C ATOM 555 C ASN A 36 8.854 4.931 -10.445 1.00 0.00 C ATOM 556 O ASN A 36 8.554 4.897 -11.632 1.00 0.00 O ATOM 557 CB ASN A 36 10.239 7.010 -10.656 1.00 0.00 C ATOM 558 CG ASN A 36 8.951 7.826 -10.516 1.00 0.00 C ATOM 559 OD1 ASN A 36 8.526 8.525 -11.428 1.00 0.00 O ATOM 560 ND2 ASN A 36 8.366 7.684 -9.313 1.00 0.00 N ATOM 0 H ASN A 36 11.818 4.652 -9.337 1.00 0.00 H new ATOM 0 HA ASN A 36 9.964 5.858 -8.873 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.078 7.563 -10.234 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.463 6.845 -11.710 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.500 8.181 -9.105 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.789 7.080 -8.608 1.00 0.00 H new ATOM 567 N GLY A 37 8.169 4.345 -9.454 1.00 0.00 N ATOM 568 CA GLY A 37 6.969 3.603 -9.782 1.00 0.00 C ATOM 569 C GLY A 37 6.833 2.322 -8.952 1.00 0.00 C ATOM 570 O GLY A 37 5.844 1.608 -9.054 1.00 0.00 O ATOM 0 H GLY A 37 8.418 4.372 -8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.097 4.235 -9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.981 3.347 -10.842 1.00 0.00 H new ATOM 574 N LYS A 38 7.869 2.066 -8.123 1.00 0.00 N ATOM 575 CA LYS A 38 7.779 0.870 -7.321 1.00 0.00 C ATOM 576 C LYS A 38 6.901 1.174 -6.131 1.00 0.00 C ATOM 577 O LYS A 38 6.829 2.297 -5.647 1.00 0.00 O ATOM 578 CB LYS A 38 9.155 0.427 -6.868 1.00 0.00 C ATOM 579 CG LYS A 38 9.144 -1.009 -6.347 1.00 0.00 C ATOM 580 CD LYS A 38 9.580 -1.997 -7.427 1.00 0.00 C ATOM 581 CE LYS A 38 10.789 -2.820 -6.983 1.00 0.00 C ATOM 582 NZ LYS A 38 11.363 -3.598 -8.074 1.00 0.00 N ATOM 0 H LYS A 38 8.708 2.634 -8.008 1.00 0.00 H new ATOM 0 HA LYS A 38 7.350 0.057 -7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.855 0.507 -7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.513 1.095 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.809 -1.091 -5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.142 -1.264 -6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.752 -2.665 -7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.824 -1.454 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.549 -2.153 -6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.492 -3.492 -6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.287 -3.975 -7.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.727 -4.386 -8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.485 -2.989 -8.908 1.00 0.00 H new ATOM 596 N PHE A 39 6.237 0.109 -5.693 1.00 0.00 N ATOM 597 CA PHE A 39 5.348 0.311 -4.563 1.00 0.00 C ATOM 598 C PHE A 39 5.008 -0.999 -3.866 1.00 0.00 C ATOM 599 O PHE A 39 5.174 -2.089 -4.395 1.00 0.00 O ATOM 600 CB PHE A 39 4.071 0.997 -5.058 1.00 0.00 C ATOM 601 CG PHE A 39 3.134 0.021 -5.719 1.00 0.00 C ATOM 602 CD1 PHE A 39 3.347 -0.391 -7.057 1.00 0.00 C ATOM 603 CD2 PHE A 39 2.025 -0.492 -5.004 1.00 0.00 C ATOM 604 CE1 PHE A 39 2.459 -1.303 -7.672 1.00 0.00 C ATOM 605 CE2 PHE A 39 1.139 -1.403 -5.619 1.00 0.00 C ATOM 606 CZ PHE A 39 1.356 -1.808 -6.952 1.00 0.00 C ATOM 0 H PHE A 39 6.290 -0.837 -6.072 1.00 0.00 H new ATOM 0 HA PHE A 39 5.854 0.939 -3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.566 1.475 -4.218 1.00 0.00 H new ATOM 0 HB3 PHE A 39 4.332 1.786 -5.764 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.191 -0.007 -7.610 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.856 -0.185 -3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.625 -1.613 -8.693 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.294 -1.790 -5.068 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.678 -2.505 -7.422 1.00 0.00 H new ATOM 616 N LEU A 40 4.502 -0.791 -2.641 1.00 0.00 N ATOM 617 CA LEU A 40 4.083 -1.932 -1.854 1.00 0.00 C ATOM 618 C LEU A 40 3.106 -1.462 -0.775 1.00 0.00 C ATOM 619 O LEU A 40 3.397 -0.581 0.024 1.00 0.00 O ATOM 620 CB LEU A 40 5.304 -2.606 -1.242 1.00 0.00 C ATOM 621 CG LEU A 40 5.862 -1.807 -0.065 1.00 0.00 C ATOM 622 CD1 LEU A 40 5.220 -2.258 1.244 1.00 0.00 C ATOM 623 CD2 LEU A 40 7.381 -1.965 0.012 1.00 0.00 C ATOM 0 H LEU A 40 4.381 0.120 -2.199 1.00 0.00 H new ATOM 0 HA LEU A 40 3.577 -2.663 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.036 -3.608 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.076 -2.720 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 40 5.625 -0.755 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.631 -1.677 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.142 -2.104 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.428 -3.316 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.764 -1.390 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.631 -3.017 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.832 -1.600 -0.911 1.00 0.00 H new ATOM 635 N ILE A 41 1.929 -2.111 -0.819 1.00 0.00 N ATOM 636 CA ILE A 41 0.900 -1.771 0.151 1.00 0.00 C ATOM 637 C ILE A 41 1.044 -2.677 1.373 1.00 0.00 C ATOM 638 O ILE A 41 1.597 -3.768 1.306 1.00 0.00 O ATOM 639 CB ILE A 41 -0.475 -1.954 -0.491 1.00 0.00 C ATOM 640 CG1 ILE A 41 -1.586 -1.793 0.548 1.00 0.00 C ATOM 641 CG2 ILE A 41 -0.574 -3.326 -1.153 1.00 0.00 C ATOM 642 CD1 ILE A 41 -1.583 -0.395 1.166 1.00 0.00 C ATOM 0 H ILE A 41 1.682 -2.841 -1.488 1.00 0.00 H new ATOM 0 HA ILE A 41 1.007 -0.733 0.466 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.599 -1.184 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.552 -1.982 0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.461 -2.538 1.333 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.559 -3.441 -1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.192 -3.414 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.426 -4.103 -0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.386 -0.319 1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.626 -0.216 1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.734 0.349 0.384 1.00 0.00 H new ATOM 654 N ARG A 42 0.512 -2.149 2.490 1.00 0.00 N ATOM 655 CA ARG A 42 0.584 -2.918 3.718 1.00 0.00 C ATOM 656 C ARG A 42 -0.692 -2.709 4.532 1.00 0.00 C ATOM 657 O ARG A 42 -1.169 -1.596 4.717 1.00 0.00 O ATOM 658 CB ARG A 42 1.809 -2.486 4.521 1.00 0.00 C ATOM 659 CG ARG A 42 1.801 -3.094 5.923 1.00 0.00 C ATOM 660 CD ARG A 42 1.718 -2.015 7.002 1.00 0.00 C ATOM 661 NE ARG A 42 1.345 -2.604 8.275 1.00 0.00 N ATOM 662 CZ ARG A 42 1.589 -1.912 9.404 1.00 0.00 C ATOM 663 NH1 ARG A 42 2.169 -0.715 9.341 1.00 0.00 N ATOM 664 NH2 ARG A 42 1.251 -2.424 10.583 1.00 0.00 N ATOM 0 H ARG A 42 0.053 -1.241 2.558 1.00 0.00 H new ATOM 0 HA ARG A 42 0.676 -3.978 3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.715 -2.790 3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.832 -1.399 4.595 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.954 -3.774 6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.704 -3.687 6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.679 -1.509 7.095 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.987 -1.259 6.715 1.00 0.00 H new ATOM 0 HE ARG A 42 0.907 -3.524 8.314 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.429 -0.321 8.437 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.353 -0.192 10.197 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.807 -3.341 10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.436 -1.900 11.438 1.00 0.00 H new ATOM 678 N ALA A 43 -1.205 -3.861 5.001 1.00 0.00 N ATOM 679 CA ALA A 43 -2.419 -3.814 5.798 1.00 0.00 C ATOM 680 C ALA A 43 -2.369 -4.918 6.853 1.00 0.00 C ATOM 681 O ALA A 43 -2.391 -6.105 6.549 1.00 0.00 O ATOM 682 CB ALA A 43 -3.634 -3.993 4.891 1.00 0.00 C ATOM 0 H ALA A 43 -0.812 -4.789 4.846 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.499 -2.849 6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.544 -3.958 5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.656 -3.194 4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.571 -4.956 4.384 1.00 0.00 H new ATOM 770 N TYR A 50 -4.466 1.649 6.657 1.00 0.00 N ATOM 771 CA TYR A 50 -3.591 0.977 5.712 1.00 0.00 C ATOM 772 C TYR A 50 -2.648 2.012 5.099 1.00 0.00 C ATOM 773 O TYR A 50 -3.023 3.144 4.779 1.00 0.00 O ATOM 774 CB TYR A 50 -4.417 0.279 4.631 1.00 0.00 C ATOM 775 CG TYR A 50 -5.388 -0.697 5.231 1.00 0.00 C ATOM 776 CD1 TYR A 50 -5.028 -1.461 6.370 1.00 0.00 C ATOM 777 CD2 TYR A 50 -6.674 -0.867 4.662 1.00 0.00 C ATOM 778 CE1 TYR A 50 -5.943 -2.380 6.931 1.00 0.00 C ATOM 779 CE2 TYR A 50 -7.588 -1.787 5.224 1.00 0.00 C ATOM 780 CZ TYR A 50 -7.223 -2.543 6.358 1.00 0.00 C ATOM 781 OH TYR A 50 -8.116 -3.439 6.907 1.00 0.00 O ATOM 0 HA TYR A 50 -3.004 0.214 6.223 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.960 1.023 4.048 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.752 -0.243 3.943 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.050 -1.340 6.811 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.958 -0.290 3.794 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.663 -2.958 7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -8.567 -1.911 4.785 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.950 -3.427 6.392 1.00 0.00 H new ATOM 791 N ALA A 51 -1.393 1.563 4.948 1.00 0.00 N ATOM 792 CA ALA A 51 -0.429 2.491 4.406 1.00 0.00 C ATOM 793 C ALA A 51 0.234 1.939 3.160 1.00 0.00 C ATOM 794 O ALA A 51 0.631 0.784 3.075 1.00 0.00 O ATOM 795 CB ALA A 51 0.610 2.820 5.473 1.00 0.00 C ATOM 0 H ALA A 51 -1.052 0.630 5.178 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.949 3.404 4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.339 3.521 5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.117 3.269 6.335 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.117 1.906 5.781 1.00 0.00 H new ATOM 801 N LEU A 52 0.320 2.876 2.204 1.00 0.00 N ATOM 802 CA LEU A 52 0.946 2.539 0.938 1.00 0.00 C ATOM 803 C LEU A 52 2.377 3.067 0.944 1.00 0.00 C ATOM 804 O LEU A 52 2.621 4.260 1.055 1.00 0.00 O ATOM 805 CB LEU A 52 0.151 3.158 -0.213 1.00 0.00 C ATOM 806 CG LEU A 52 1.041 3.476 -1.417 1.00 0.00 C ATOM 807 CD1 LEU A 52 1.637 2.193 -1.997 1.00 0.00 C ATOM 808 CD2 LEU A 52 0.238 4.214 -2.489 1.00 0.00 C ATOM 0 H LEU A 52 -0.024 3.833 2.285 1.00 0.00 H new ATOM 0 HA LEU A 52 0.960 1.458 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.640 2.473 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.334 4.072 0.131 1.00 0.00 H new ATOM 0 HG LEU A 52 1.856 4.118 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.267 2.439 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.237 1.694 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.833 1.531 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.883 4.434 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.593 3.589 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.149 5.146 -2.077 1.00 0.00 H new ATOM 820 N CYS A 53 3.296 2.101 0.797 1.00 0.00 N ATOM 821 CA CYS A 53 4.699 2.474 0.795 1.00 0.00 C ATOM 822 C CYS A 53 5.274 2.249 -0.582 1.00 0.00 C ATOM 823 O CYS A 53 5.277 1.153 -1.123 1.00 0.00 O ATOM 824 CB CYS A 53 5.463 1.663 1.838 1.00 0.00 C ATOM 825 SG CYS A 53 4.717 1.752 3.485 1.00 0.00 S ATOM 0 H CYS A 53 3.099 1.107 0.684 1.00 0.00 H new ATOM 0 HA CYS A 53 4.794 3.529 1.051 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.507 0.621 1.520 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.490 2.024 1.890 1.00 0.00 H new ATOM 0 HG CYS A 53 5.288 2.698 4.169 1.00 0.00 H new ATOM 831 N LEU A 54 5.761 3.375 -1.105 1.00 0.00 N ATOM 832 CA LEU A 54 6.312 3.328 -2.417 1.00 0.00 C ATOM 833 C LEU A 54 7.513 4.282 -2.512 1.00 0.00 C ATOM 834 O LEU A 54 7.833 4.969 -1.558 1.00 0.00 O ATOM 835 CB LEU A 54 5.146 3.649 -3.347 1.00 0.00 C ATOM 836 CG LEU A 54 4.827 5.151 -3.578 1.00 0.00 C ATOM 837 CD1 LEU A 54 3.337 5.403 -3.333 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.630 6.097 -2.682 1.00 0.00 C ATOM 0 H LEU A 54 5.777 4.286 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 54 6.726 2.360 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.348 3.192 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.252 3.169 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 54 5.108 5.364 -4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.115 6.458 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.748 4.798 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.086 5.133 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.353 7.128 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.415 5.878 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.695 5.960 -2.870 1.00 0.00 H new ATOM 850 N LEU A 55 8.168 4.296 -3.693 1.00 0.00 N ATOM 851 CA LEU A 55 9.312 5.196 -3.791 1.00 0.00 C ATOM 852 C LEU A 55 9.158 6.118 -4.997 1.00 0.00 C ATOM 853 O LEU A 55 8.716 5.713 -6.065 1.00 0.00 O ATOM 854 CB LEU A 55 10.588 4.376 -3.905 1.00 0.00 C ATOM 855 CG LEU A 55 11.837 5.233 -3.672 1.00 0.00 C ATOM 856 CD1 LEU A 55 12.332 5.143 -2.237 1.00 0.00 C ATOM 857 CD2 LEU A 55 12.958 4.789 -4.594 1.00 0.00 C ATOM 0 H LEU A 55 7.944 3.743 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 55 9.364 5.815 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.564 3.563 -3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.640 3.919 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 55 11.555 6.265 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.218 5.766 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.551 5.490 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.582 4.108 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.839 5.406 -4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.200 3.745 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.640 4.897 -5.631 1.00 0.00 H new ATOM 869 N HIS A 56 9.552 7.388 -4.755 1.00 0.00 N ATOM 870 CA HIS A 56 9.449 8.346 -5.842 1.00 0.00 C ATOM 871 C HIS A 56 10.645 8.180 -6.788 1.00 0.00 C ATOM 872 O HIS A 56 10.562 7.546 -7.829 1.00 0.00 O ATOM 873 CB HIS A 56 9.394 9.761 -5.275 1.00 0.00 C ATOM 874 CG HIS A 56 8.947 10.717 -6.356 1.00 0.00 C ATOM 875 ND1 HIS A 56 8.143 10.369 -7.384 1.00 0.00 N ATOM 876 CD2 HIS A 56 9.264 12.080 -6.490 1.00 0.00 C ATOM 877 CE1 HIS A 56 7.971 11.478 -8.123 1.00 0.00 C ATOM 878 NE2 HIS A 56 8.638 12.524 -7.604 1.00 0.00 N ATOM 0 H HIS A 56 9.919 7.744 -3.872 1.00 0.00 H new ATOM 0 HA HIS A 56 8.534 8.166 -6.407 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.705 9.800 -4.432 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.375 10.052 -4.899 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.889 12.662 -5.829 1.00 0.00 H new ATOM 0 HE1 HIS A 56 7.372 11.524 -9.021 1.00 0.00 H new ATOM 0 HE2 HIS A 56 8.667 13.472 -7.979 1.00 0.00 H new ATOM 886 N GLU A 57 11.754 8.808 -6.357 1.00 0.00 N ATOM 887 CA GLU A 57 12.978 8.734 -7.160 1.00 0.00 C ATOM 888 C GLU A 57 14.195 8.410 -6.273 1.00 0.00 C ATOM 889 O GLU A 57 15.345 8.546 -6.675 1.00 0.00 O ATOM 890 CB GLU A 57 13.197 10.085 -7.814 1.00 0.00 C ATOM 891 CG GLU A 57 11.903 10.652 -8.397 1.00 0.00 C ATOM 892 CD GLU A 57 12.117 11.043 -9.860 1.00 0.00 C ATOM 893 OE1 GLU A 57 12.814 12.026 -10.108 1.00 0.00 O ATOM 894 OE2 GLU A 57 11.585 10.361 -10.734 1.00 0.00 O ATOM 0 H GLU A 57 11.826 9.349 -5.495 1.00 0.00 H new ATOM 0 HA GLU A 57 12.871 7.947 -7.906 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.601 10.782 -7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.940 9.989 -8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.106 9.912 -8.322 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.586 11.522 -7.822 1.00 0.00 H new ATOM 901 N GLY A 58 13.850 7.982 -5.056 1.00 0.00 N ATOM 902 CA GLY A 58 14.871 7.668 -4.071 1.00 0.00 C ATOM 903 C GLY A 58 14.496 8.304 -2.725 1.00 0.00 C ATOM 904 O GLY A 58 15.331 8.754 -1.950 1.00 0.00 O ATOM 0 H GLY A 58 12.890 7.849 -4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 58 14.966 6.588 -3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.840 8.041 -4.404 1.00 0.00 H new ATOM 908 N LYS A 59 13.168 8.298 -2.534 1.00 0.00 N ATOM 909 CA LYS A 59 12.585 8.851 -1.344 1.00 0.00 C ATOM 910 C LYS A 59 11.345 8.031 -1.078 1.00 0.00 C ATOM 911 O LYS A 59 10.284 8.253 -1.647 1.00 0.00 O ATOM 912 CB LYS A 59 12.203 10.317 -1.543 1.00 0.00 C ATOM 913 CG LYS A 59 12.115 10.718 -3.021 1.00 0.00 C ATOM 914 CD LYS A 59 13.436 11.297 -3.531 1.00 0.00 C ATOM 915 CE LYS A 59 13.732 12.660 -2.903 1.00 0.00 C ATOM 916 NZ LYS A 59 14.982 13.235 -3.386 1.00 0.00 N ATOM 0 H LYS A 59 12.495 7.913 -3.197 1.00 0.00 H new ATOM 0 HA LYS A 59 13.290 8.818 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.242 10.505 -1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.937 10.949 -1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.845 9.847 -3.619 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.321 11.453 -3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.248 10.607 -3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.396 11.396 -4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.912 13.344 -3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.778 12.555 -1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.138 14.157 -2.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.770 12.597 -3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.931 13.361 -4.417 1.00 0.00 H new ATOM 930 N VAL A 60 11.547 7.074 -0.181 1.00 0.00 N ATOM 931 CA VAL A 60 10.444 6.200 0.114 1.00 0.00 C ATOM 932 C VAL A 60 9.354 6.992 0.803 1.00 0.00 C ATOM 933 O VAL A 60 9.595 7.905 1.584 1.00 0.00 O ATOM 934 CB VAL A 60 10.901 5.060 1.010 1.00 0.00 C ATOM 935 CG1 VAL A 60 10.879 5.505 2.466 1.00 0.00 C ATOM 936 CG2 VAL A 60 9.993 3.847 0.829 1.00 0.00 C ATOM 0 H VAL A 60 12.415 6.896 0.324 1.00 0.00 H new ATOM 0 HA VAL A 60 10.060 5.778 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 60 11.918 4.784 0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.208 4.683 3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.548 6.355 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.865 5.795 2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.332 3.039 1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.970 4.116 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.028 3.518 -0.210 1.00 0.00 H new ATOM 946 N LEU A 61 8.147 6.559 0.461 1.00 0.00 N ATOM 947 CA LEU A 61 6.998 7.212 1.029 1.00 0.00 C ATOM 948 C LEU A 61 6.077 6.223 1.673 1.00 0.00 C ATOM 949 O LEU A 61 6.241 5.009 1.621 1.00 0.00 O ATOM 950 CB LEU A 61 6.236 7.972 -0.047 1.00 0.00 C ATOM 951 CG LEU A 61 7.198 8.748 -0.918 1.00 0.00 C ATOM 952 CD1 LEU A 61 6.447 9.608 -1.931 1.00 0.00 C ATOM 953 CD2 LEU A 61 8.073 9.604 -0.019 1.00 0.00 C ATOM 0 H LEU A 61 7.952 5.790 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 61 7.356 7.907 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.662 7.275 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.522 8.653 0.415 1.00 0.00 H new ATOM 0 HG LEU A 61 7.820 8.056 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.162 10.156 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.836 8.969 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.806 10.314 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.775 10.173 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.447 10.292 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.626 8.963 0.668 1.00 0.00 H new ATOM 965 N HIS A 62 5.090 6.866 2.274 1.00 0.00 N ATOM 966 CA HIS A 62 4.069 6.107 2.957 1.00 0.00 C ATOM 967 C HIS A 62 2.771 6.904 2.898 1.00 0.00 C ATOM 968 O HIS A 62 2.756 8.087 2.600 1.00 0.00 O ATOM 969 CB HIS A 62 4.483 5.862 4.415 1.00 0.00 C ATOM 970 CG HIS A 62 5.858 5.226 4.472 1.00 0.00 C ATOM 971 ND1 HIS A 62 6.076 3.900 4.626 1.00 0.00 N ATOM 972 CD2 HIS A 62 7.108 5.866 4.387 1.00 0.00 C ATOM 973 CE1 HIS A 62 7.411 3.733 4.636 1.00 0.00 C ATOM 974 NE2 HIS A 62 8.054 4.905 4.493 1.00 0.00 N ATOM 0 H HIS A 62 4.978 7.880 2.301 1.00 0.00 H new ATOM 0 HA HIS A 62 3.932 5.137 2.479 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.488 6.805 4.962 1.00 0.00 H new ATOM 0 HB3 HIS A 62 3.755 5.214 4.903 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.280 6.925 4.261 1.00 0.00 H new ATOM 0 HE1 HIS A 62 7.904 2.778 4.745 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.064 5.043 4.469 1.00 0.00 H new ATOM 982 N TYR A 63 1.686 6.177 3.160 1.00 0.00 N ATOM 983 CA TYR A 63 0.403 6.848 3.176 1.00 0.00 C ATOM 984 C TYR A 63 -0.448 6.157 4.238 1.00 0.00 C ATOM 985 O TYR A 63 -0.146 5.060 4.667 1.00 0.00 O ATOM 986 CB TYR A 63 -0.236 6.851 1.784 1.00 0.00 C ATOM 987 CG TYR A 63 0.574 7.708 0.835 1.00 0.00 C ATOM 988 CD1 TYR A 63 0.716 9.103 1.074 1.00 0.00 C ATOM 989 CD2 TYR A 63 1.251 7.135 -0.278 1.00 0.00 C ATOM 990 CE1 TYR A 63 1.521 9.898 0.231 1.00 0.00 C ATOM 991 CE2 TYR A 63 2.055 7.939 -1.117 1.00 0.00 C ATOM 992 CZ TYR A 63 2.189 9.317 -0.863 1.00 0.00 C ATOM 993 OH TYR A 63 2.975 10.098 -1.686 1.00 0.00 O ATOM 0 H TYR A 63 1.671 5.176 3.354 1.00 0.00 H new ATOM 0 HA TYR A 63 0.505 7.902 3.434 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.297 5.832 1.402 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.256 7.230 1.846 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.203 9.558 1.908 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.150 6.079 -0.483 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.625 10.955 0.426 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.569 7.494 -1.957 1.00 0.00 H new ATOM 0 HH TYR A 63 3.365 9.540 -2.391 1.00 0.00 H new ATOM 1003 N ARG A 64 -1.500 6.879 4.633 1.00 0.00 N ATOM 1004 CA ARG A 64 -2.349 6.373 5.724 1.00 0.00 C ATOM 1005 C ARG A 64 -3.656 5.746 5.229 1.00 0.00 C ATOM 1006 O ARG A 64 -4.622 5.584 5.965 1.00 0.00 O ATOM 1007 CB ARG A 64 -2.708 7.557 6.575 1.00 0.00 C ATOM 1008 CG ARG A 64 -2.185 7.427 8.005 1.00 0.00 C ATOM 1009 CD ARG A 64 -2.327 8.740 8.775 1.00 0.00 C ATOM 1010 NE ARG A 64 -3.640 9.316 8.550 1.00 0.00 N ATOM 1011 CZ ARG A 64 -4.682 8.851 9.264 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -4.499 7.883 10.158 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -5.896 9.360 9.076 1.00 0.00 N ATOM 0 H ARG A 64 -1.780 7.777 4.237 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.797 5.599 6.257 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.302 8.462 6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.792 7.670 6.596 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.732 6.639 8.523 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.137 7.127 7.984 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.178 8.563 9.840 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.555 9.441 8.457 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.771 10.059 7.864 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.568 7.492 10.303 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.290 7.532 10.698 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.037 10.102 8.391 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.686 9.008 9.617 1.00 0.00 H new ATOM 1027 N ILE A 65 -3.598 5.444 3.956 1.00 0.00 N ATOM 1028 CA ILE A 65 -4.746 4.860 3.268 1.00 0.00 C ATOM 1029 C ILE A 65 -5.644 4.073 4.228 1.00 0.00 C ATOM 1030 O ILE A 65 -5.302 3.003 4.706 1.00 0.00 O ATOM 1031 CB ILE A 65 -4.241 3.947 2.161 1.00 0.00 C ATOM 1032 CG1 ILE A 65 -3.454 4.753 1.131 1.00 0.00 C ATOM 1033 CG2 ILE A 65 -5.414 3.228 1.497 1.00 0.00 C ATOM 1034 CD1 ILE A 65 -2.742 3.841 0.136 1.00 0.00 C ATOM 0 H ILE A 65 -2.777 5.588 3.368 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.347 5.667 2.850 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.577 3.199 2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.129 5.421 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.722 5.381 1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.041 2.577 0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.942 2.630 2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.097 3.963 1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.191 4.447 -0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.048 3.191 0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.477 3.232 -0.390 1.00 0.00 H new ATOM 1046 N ASP A 66 -6.822 4.679 4.466 1.00 0.00 N ATOM 1047 CA ASP A 66 -7.777 4.032 5.345 1.00 0.00 C ATOM 1048 C ASP A 66 -9.184 4.433 4.931 1.00 0.00 C ATOM 1049 O ASP A 66 -9.390 5.206 4.006 1.00 0.00 O ATOM 1050 CB ASP A 66 -7.523 4.454 6.779 1.00 0.00 C ATOM 1051 CG ASP A 66 -8.247 3.511 7.740 1.00 0.00 C ATOM 1052 OD1 ASP A 66 -8.387 2.334 7.412 1.00 0.00 O ATOM 1053 OD2 ASP A 66 -8.661 3.965 8.806 1.00 0.00 O ATOM 0 H ASP A 66 -7.115 5.575 4.076 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.668 2.950 5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.453 4.444 6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.868 5.477 6.932 1.00 0.00 H new ATOM 1058 N LYS A 67 -10.133 3.884 5.702 1.00 0.00 N ATOM 1059 CA LYS A 67 -11.518 4.187 5.404 1.00 0.00 C ATOM 1060 C LYS A 67 -11.965 5.393 6.223 1.00 0.00 C ATOM 1061 O LYS A 67 -11.180 6.266 6.571 1.00 0.00 O ATOM 1062 CB LYS A 67 -12.386 2.971 5.715 1.00 0.00 C ATOM 1063 CG LYS A 67 -12.382 2.636 7.200 1.00 0.00 C ATOM 1064 CD LYS A 67 -11.044 2.054 7.651 1.00 0.00 C ATOM 1065 CE LYS A 67 -11.241 0.840 8.559 1.00 0.00 C ATOM 1066 NZ LYS A 67 -9.977 0.295 9.041 1.00 0.00 N ATOM 0 H LYS A 67 -9.971 3.261 6.494 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.623 4.427 4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.408 3.162 5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.025 2.113 5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.598 3.536 7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.178 1.923 7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.458 1.766 6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.473 2.817 8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.860 1.123 9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.783 0.067 8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.898 -0.702 8.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.188 0.835 8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.943 0.363 10.078 1.00 0.00 H new ATOM 1080 N ASP A 68 -13.280 5.377 6.509 1.00 0.00 N ATOM 1081 CA ASP A 68 -13.824 6.477 7.288 1.00 0.00 C ATOM 1082 C ASP A 68 -14.541 5.907 8.509 1.00 0.00 C ATOM 1083 O ASP A 68 -14.089 6.018 9.642 1.00 0.00 O ATOM 1084 CB ASP A 68 -14.775 7.297 6.417 1.00 0.00 C ATOM 1085 CG ASP A 68 -14.656 8.780 6.775 1.00 0.00 C ATOM 1086 OD1 ASP A 68 -13.631 9.380 6.456 1.00 0.00 O ATOM 1087 OD2 ASP A 68 -15.590 9.319 7.367 1.00 0.00 O ATOM 0 H ASP A 68 -13.943 4.655 6.227 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.026 7.137 7.628 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.538 7.148 5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.801 6.959 6.564 1.00 0.00 H new ATOM 1092 N LYS A 69 -15.687 5.291 8.190 1.00 0.00 N ATOM 1093 CA LYS A 69 -16.476 4.667 9.244 1.00 0.00 C ATOM 1094 C LYS A 69 -17.468 3.667 8.637 1.00 0.00 C ATOM 1095 O LYS A 69 -18.167 2.944 9.336 1.00 0.00 O ATOM 1096 CB LYS A 69 -17.204 5.735 10.057 1.00 0.00 C ATOM 1097 CG LYS A 69 -18.258 6.459 9.219 1.00 0.00 C ATOM 1098 CD LYS A 69 -17.719 7.769 8.644 1.00 0.00 C ATOM 1099 CE LYS A 69 -18.671 8.357 7.603 1.00 0.00 C ATOM 1100 NZ LYS A 69 -18.166 9.596 7.023 1.00 0.00 N ATOM 0 H LYS A 69 -16.072 5.215 7.248 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.811 4.123 9.915 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -17.680 5.273 10.922 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.482 6.457 10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -18.584 5.811 8.405 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -19.134 6.664 9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.571 8.488 9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.744 7.594 8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -18.833 7.627 6.810 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -19.640 8.544 8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -18.680 9.802 6.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.306 10.377 7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -17.152 9.494 6.816 1.00 0.00 H new ATOM 1114 N THR A 70 -17.471 3.679 7.295 1.00 0.00 N ATOM 1115 CA THR A 70 -18.318 2.773 6.576 1.00 0.00 C ATOM 1116 C THR A 70 -17.552 1.468 6.335 1.00 0.00 C ATOM 1117 O THR A 70 -18.127 0.396 6.189 1.00 0.00 O ATOM 1118 CB THR A 70 -18.651 3.430 5.249 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.836 4.176 5.370 1.00 0.00 O ATOM 1120 CG2 THR A 70 -18.789 2.407 4.137 1.00 0.00 C ATOM 0 H THR A 70 -16.904 4.298 6.716 1.00 0.00 H new ATOM 0 HA THR A 70 -19.230 2.550 7.131 1.00 0.00 H new ATOM 0 HB THR A 70 -17.827 4.094 4.987 1.00 0.00 H new ATOM 0 HG1 THR A 70 -20.045 4.599 4.511 1.00 0.00 H new ATOM 0 HG21 THR A 70 -19.028 2.915 3.203 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.851 1.863 4.025 1.00 0.00 H new ATOM 0 HG23 THR A 70 -19.587 1.707 4.383 1.00 0.00 H new ATOM 1128 N GLY A 71 -16.215 1.645 6.306 1.00 0.00 N ATOM 1129 CA GLY A 71 -15.371 0.497 6.068 1.00 0.00 C ATOM 1130 C GLY A 71 -14.690 0.526 4.691 1.00 0.00 C ATOM 1131 O GLY A 71 -13.834 -0.294 4.381 1.00 0.00 O ATOM 0 H GLY A 71 -15.731 2.533 6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.607 0.448 6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.969 -0.410 6.152 1.00 0.00 H new ATOM 1135 N LYS A 72 -15.125 1.515 3.900 1.00 0.00 N ATOM 1136 CA LYS A 72 -14.556 1.638 2.564 1.00 0.00 C ATOM 1137 C LYS A 72 -13.183 2.273 2.683 1.00 0.00 C ATOM 1138 O LYS A 72 -13.005 3.277 3.348 1.00 0.00 O ATOM 1139 CB LYS A 72 -15.459 2.492 1.678 1.00 0.00 C ATOM 1140 CG LYS A 72 -16.896 1.974 1.674 1.00 0.00 C ATOM 1141 CD LYS A 72 -17.362 1.617 0.262 1.00 0.00 C ATOM 1142 CE LYS A 72 -18.744 0.962 0.278 1.00 0.00 C ATOM 1143 NZ LYS A 72 -19.755 1.812 0.894 1.00 0.00 N ATOM 0 H LYS A 72 -15.833 2.206 4.149 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.471 0.652 2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.445 3.524 2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.071 2.497 0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.968 1.095 2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.557 2.731 2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.392 2.518 -0.351 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.643 0.941 -0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.044 0.728 -0.743 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.689 0.017 0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.632 1.767 0.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.943 1.482 1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.413 2.794 0.923 1.00 0.00 H new ATOM 1157 N LEU A 73 -12.239 1.672 1.947 1.00 0.00 N ATOM 1158 CA LEU A 73 -10.899 2.192 2.034 1.00 0.00 C ATOM 1159 C LEU A 73 -10.824 3.472 1.224 1.00 0.00 C ATOM 1160 O LEU A 73 -11.546 3.671 0.259 1.00 0.00 O ATOM 1161 CB LEU A 73 -9.916 1.157 1.508 1.00 0.00 C ATOM 1162 CG LEU A 73 -10.098 -0.190 2.206 1.00 0.00 C ATOM 1163 CD1 LEU A 73 -9.015 -1.172 1.764 1.00 0.00 C ATOM 1164 CD2 LEU A 73 -10.065 -0.012 3.725 1.00 0.00 C ATOM 0 H LEU A 73 -12.377 0.875 1.325 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.640 2.410 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.055 1.034 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.896 1.512 1.659 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.070 -0.596 1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.160 -2.126 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.077 -1.321 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.034 -0.771 2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.196 -0.980 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.106 0.414 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.869 0.657 4.030 1.00 0.00 H new ATOM 1176 N SER A 74 -9.913 4.328 1.698 1.00 0.00 N ATOM 1177 CA SER A 74 -9.759 5.602 1.039 1.00 0.00 C ATOM 1178 C SER A 74 -8.457 6.247 1.493 1.00 0.00 C ATOM 1179 O SER A 74 -7.574 5.604 2.046 1.00 0.00 O ATOM 1180 CB SER A 74 -10.950 6.491 1.389 1.00 0.00 C ATOM 1181 OG SER A 74 -10.896 7.702 0.681 1.00 0.00 O ATOM 0 H SER A 74 -9.303 4.163 2.499 1.00 0.00 H new ATOM 0 HA SER A 74 -9.724 5.467 -0.042 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.879 5.970 1.156 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.957 6.691 2.460 1.00 0.00 H new ATOM 0 HG SER A 74 -10.423 7.565 -0.166 1.00 0.00 H new ATOM 1187 N ILE A 75 -8.413 7.560 1.232 1.00 0.00 N ATOM 1188 CA ILE A 75 -7.224 8.301 1.595 1.00 0.00 C ATOM 1189 C ILE A 75 -7.606 9.764 1.809 1.00 0.00 C ATOM 1190 O ILE A 75 -8.415 10.327 1.082 1.00 0.00 O ATOM 1191 CB ILE A 75 -6.213 8.183 0.453 1.00 0.00 C ATOM 1192 CG1 ILE A 75 -6.214 6.762 -0.126 1.00 0.00 C ATOM 1193 CG2 ILE A 75 -4.806 8.573 0.911 1.00 0.00 C ATOM 1194 CD1 ILE A 75 -5.184 6.600 -1.244 1.00 0.00 C ATOM 0 H ILE A 75 -9.156 8.101 0.791 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.785 7.907 2.511 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.515 8.879 -0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.003 6.046 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.207 6.528 -0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.112 8.478 0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.811 9.604 1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.491 7.915 1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.218 5.579 -1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.410 7.297 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.188 6.808 -0.854 1.00 0.00 H new ATOM 1206 N PRO A 76 -6.985 10.357 2.852 1.00 0.00 N ATOM 1207 CA PRO A 76 -7.213 11.746 3.187 1.00 0.00 C ATOM 1208 C PRO A 76 -7.143 12.632 1.949 1.00 0.00 C ATOM 1209 O PRO A 76 -8.081 13.335 1.593 1.00 0.00 O ATOM 1210 CB PRO A 76 -6.099 12.111 4.169 1.00 0.00 C ATOM 1211 CG PRO A 76 -5.399 10.798 4.563 1.00 0.00 C ATOM 1212 CD PRO A 76 -6.011 9.693 3.699 1.00 0.00 C ATOM 0 HA PRO A 76 -8.205 11.895 3.614 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.392 12.803 3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.508 12.609 5.048 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.324 10.868 4.396 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.544 10.585 5.622 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.248 9.194 3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.484 8.929 4.316 1.00 0.00 H new ATOM 1220 N GLU A 77 -5.963 12.538 1.328 1.00 0.00 N ATOM 1221 CA GLU A 77 -5.743 13.309 0.121 1.00 0.00 C ATOM 1222 C GLU A 77 -5.703 12.374 -1.107 1.00 0.00 C ATOM 1223 O GLU A 77 -6.033 12.768 -2.217 1.00 0.00 O ATOM 1224 CB GLU A 77 -4.442 14.099 0.276 1.00 0.00 C ATOM 1225 CG GLU A 77 -3.558 13.998 -0.961 1.00 0.00 C ATOM 1226 CD GLU A 77 -4.238 14.695 -2.143 1.00 0.00 C ATOM 1227 OE1 GLU A 77 -5.400 15.076 -2.009 1.00 0.00 O ATOM 1228 OE2 GLU A 77 -3.597 14.851 -3.181 1.00 0.00 O ATOM 0 H GLU A 77 -5.181 11.959 1.632 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.562 14.011 -0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.675 15.146 0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.895 13.729 1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.589 14.457 -0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.372 12.951 -1.202 1.00 0.00 H new ATOM 1235 N GLY A 78 -5.276 11.119 -0.830 1.00 0.00 N ATOM 1236 CA GLY A 78 -5.202 10.142 -1.910 1.00 0.00 C ATOM 1237 C GLY A 78 -6.501 10.129 -2.736 1.00 0.00 C ATOM 1238 O GLY A 78 -6.779 11.028 -3.520 1.00 0.00 O ATOM 0 H GLY A 78 -4.993 10.782 0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.358 10.375 -2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.021 9.150 -1.496 1.00 0.00 H new ATOM 1242 N LYS A 79 -7.268 9.038 -2.509 1.00 0.00 N ATOM 1243 CA LYS A 79 -8.532 8.907 -3.218 1.00 0.00 C ATOM 1244 C LYS A 79 -9.549 8.169 -2.341 1.00 0.00 C ATOM 1245 O LYS A 79 -9.659 8.385 -1.141 1.00 0.00 O ATOM 1246 CB LYS A 79 -8.307 8.148 -4.522 1.00 0.00 C ATOM 1247 CG LYS A 79 -9.487 8.321 -5.480 1.00 0.00 C ATOM 1248 CD LYS A 79 -9.143 9.274 -6.623 1.00 0.00 C ATOM 1249 CE LYS A 79 -10.394 9.728 -7.373 1.00 0.00 C ATOM 1250 NZ LYS A 79 -11.258 10.569 -6.553 1.00 0.00 N ATOM 0 H LYS A 79 -7.038 8.277 -1.870 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.925 9.898 -3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.394 8.504 -4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.163 7.089 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.772 7.351 -5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.349 8.703 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.620 10.144 -6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.462 8.781 -7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.099 10.277 -8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.953 8.853 -7.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.903 11.106 -7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.812 9.972 -5.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.676 11.230 -6.000 1.00 0.00 H new ATOM 1264 N LYS A 80 -10.274 7.287 -3.047 1.00 0.00 N ATOM 1265 CA LYS A 80 -11.301 6.490 -2.380 1.00 0.00 C ATOM 1266 C LYS A 80 -11.452 5.155 -3.119 1.00 0.00 C ATOM 1267 O LYS A 80 -11.373 5.089 -4.339 1.00 0.00 O ATOM 1268 CB LYS A 80 -12.622 7.261 -2.390 1.00 0.00 C ATOM 1269 CG LYS A 80 -13.742 6.483 -1.696 1.00 0.00 C ATOM 1270 CD LYS A 80 -13.864 6.868 -0.221 1.00 0.00 C ATOM 1271 CE LYS A 80 -15.022 7.839 0.012 1.00 0.00 C ATOM 1272 NZ LYS A 80 -16.317 7.238 -0.283 1.00 0.00 N ATOM 0 H LYS A 80 -10.170 7.114 -4.047 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.017 6.294 -1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.485 8.222 -1.893 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.911 7.473 -3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.688 6.676 -2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.548 5.414 -1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.014 5.970 0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.933 7.324 0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.008 8.175 1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.884 8.722 -0.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.053 7.704 0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.533 7.356 -1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.290 6.225 -0.051 1.00 0.00 H new ATOM 1286 N PHE A 81 -11.673 4.097 -2.306 1.00 0.00 N ATOM 1287 CA PHE A 81 -11.811 2.795 -2.910 1.00 0.00 C ATOM 1288 C PHE A 81 -12.591 1.843 -2.004 1.00 0.00 C ATOM 1289 O PHE A 81 -12.884 2.122 -0.843 1.00 0.00 O ATOM 1290 CB PHE A 81 -10.426 2.243 -3.148 1.00 0.00 C ATOM 1291 CG PHE A 81 -9.761 2.933 -4.298 1.00 0.00 C ATOM 1292 CD1 PHE A 81 -10.096 2.594 -5.631 1.00 0.00 C ATOM 1293 CD2 PHE A 81 -8.797 3.941 -4.060 1.00 0.00 C ATOM 1294 CE1 PHE A 81 -9.474 3.256 -6.714 1.00 0.00 C ATOM 1295 CE2 PHE A 81 -8.176 4.603 -5.141 1.00 0.00 C ATOM 1296 CZ PHE A 81 -8.514 4.261 -6.468 1.00 0.00 C ATOM 0 H PHE A 81 -11.753 4.132 -1.290 1.00 0.00 H new ATOM 0 HA PHE A 81 -12.362 2.889 -3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.823 2.365 -2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.487 1.173 -3.348 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -10.831 1.826 -5.821 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.535 4.205 -3.046 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.733 2.993 -7.729 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.441 5.372 -4.953 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.038 4.768 -7.295 1.00 0.00 H new ATOM 1306 N ASP A 82 -12.872 0.682 -2.624 1.00 0.00 N ATOM 1307 CA ASP A 82 -13.613 -0.341 -1.911 1.00 0.00 C ATOM 1308 C ASP A 82 -12.643 -1.217 -1.120 1.00 0.00 C ATOM 1309 O ASP A 82 -12.810 -1.446 0.072 1.00 0.00 O ATOM 1310 CB ASP A 82 -14.406 -1.182 -2.908 1.00 0.00 C ATOM 1311 CG ASP A 82 -15.265 -2.203 -2.160 1.00 0.00 C ATOM 1312 OD1 ASP A 82 -15.000 -2.443 -0.984 1.00 0.00 O ATOM 1313 OD2 ASP A 82 -16.189 -2.746 -2.763 1.00 0.00 O ATOM 0 H ASP A 82 -12.604 0.446 -3.579 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.309 0.125 -1.214 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.040 -0.538 -3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.725 -1.695 -3.587 1.00 0.00 H new ATOM 1318 N THR A 83 -11.618 -1.690 -1.859 1.00 0.00 N ATOM 1319 CA THR A 83 -10.637 -2.525 -1.216 1.00 0.00 C ATOM 1320 C THR A 83 -9.277 -2.166 -1.787 1.00 0.00 C ATOM 1321 O THR A 83 -9.160 -1.491 -2.802 1.00 0.00 O ATOM 1322 CB THR A 83 -10.962 -3.996 -1.469 1.00 0.00 C ATOM 1323 OG1 THR A 83 -10.923 -4.250 -2.852 1.00 0.00 O ATOM 1324 CG2 THR A 83 -12.335 -4.377 -0.917 1.00 0.00 C ATOM 0 H THR A 83 -11.468 -1.509 -2.852 1.00 0.00 H new ATOM 0 HA THR A 83 -10.639 -2.365 -0.138 1.00 0.00 H new ATOM 0 HB THR A 83 -10.216 -4.600 -0.952 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.129 -5.194 -3.017 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.528 -5.431 -1.117 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.356 -4.202 0.159 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.102 -3.770 -1.398 1.00 0.00 H new ATOM 1332 N LEU A 84 -8.262 -2.657 -1.073 1.00 0.00 N ATOM 1333 CA LEU A 84 -6.925 -2.396 -1.496 1.00 0.00 C ATOM 1334 C LEU A 84 -6.623 -2.992 -2.868 1.00 0.00 C ATOM 1335 O LEU A 84 -5.537 -2.847 -3.401 1.00 0.00 O ATOM 1336 CB LEU A 84 -6.041 -3.031 -0.457 1.00 0.00 C ATOM 1337 CG LEU A 84 -5.402 -1.998 0.456 1.00 0.00 C ATOM 1338 CD1 LEU A 84 -4.497 -2.682 1.473 1.00 0.00 C ATOM 1339 CD2 LEU A 84 -4.622 -0.982 -0.369 1.00 0.00 C ATOM 0 H LEU A 84 -8.355 -3.219 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.761 -1.323 -1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.628 -3.729 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.261 -3.611 -0.950 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.186 -1.470 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.045 -1.931 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.085 -3.375 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.713 -3.230 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.168 -0.246 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.841 -1.493 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.298 -0.479 -1.060 1.00 0.00 H new ATOM 1351 N TRP A 85 -7.644 -3.662 -3.387 1.00 0.00 N ATOM 1352 CA TRP A 85 -7.491 -4.271 -4.698 1.00 0.00 C ATOM 1353 C TRP A 85 -7.796 -3.247 -5.766 1.00 0.00 C ATOM 1354 O TRP A 85 -7.240 -3.250 -6.858 1.00 0.00 O ATOM 1355 CB TRP A 85 -8.480 -5.418 -4.822 1.00 0.00 C ATOM 1356 CG TRP A 85 -7.760 -6.685 -5.219 1.00 0.00 C ATOM 1357 CD1 TRP A 85 -6.649 -6.756 -6.057 1.00 0.00 C ATOM 1358 CD2 TRP A 85 -8.092 -8.020 -4.837 1.00 0.00 C ATOM 1359 NE1 TRP A 85 -6.280 -8.064 -6.210 1.00 0.00 N ATOM 1360 CE2 TRP A 85 -7.146 -8.881 -5.473 1.00 0.00 C ATOM 1361 CE3 TRP A 85 -9.091 -8.546 -4.028 1.00 0.00 C ATOM 1362 CZ2 TRP A 85 -7.212 -10.256 -5.290 1.00 0.00 C ATOM 1363 CZ3 TRP A 85 -9.168 -9.948 -3.834 1.00 0.00 C ATOM 1364 CH2 TRP A 85 -8.227 -10.804 -4.466 1.00 0.00 C ATOM 0 H TRP A 85 -8.552 -3.794 -2.941 1.00 0.00 H new ATOM 0 HA TRP A 85 -6.471 -4.635 -4.819 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.997 -5.566 -3.874 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -9.240 -5.174 -5.565 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -6.156 -5.911 -6.514 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -5.496 -8.393 -6.773 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -9.804 -7.891 -3.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -6.495 -10.904 -5.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -9.942 -10.365 -3.206 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -8.285 -11.872 -4.319 1.00 0.00 H new ATOM 1375 N GLN A 86 -8.718 -2.374 -5.368 1.00 0.00 N ATOM 1376 CA GLN A 86 -9.118 -1.348 -6.298 1.00 0.00 C ATOM 1377 C GLN A 86 -8.212 -0.153 -6.143 1.00 0.00 C ATOM 1378 O GLN A 86 -7.770 0.443 -7.103 1.00 0.00 O ATOM 1379 CB GLN A 86 -10.580 -0.972 -6.069 1.00 0.00 C ATOM 1380 CG GLN A 86 -11.504 -2.177 -6.248 1.00 0.00 C ATOM 1381 CD GLN A 86 -11.361 -2.733 -7.666 1.00 0.00 C ATOM 1382 OE1 GLN A 86 -11.981 -2.262 -8.611 1.00 0.00 O ATOM 1383 NE2 GLN A 86 -10.503 -3.766 -7.741 1.00 0.00 N ATOM 0 H GLN A 86 -9.175 -2.360 -4.456 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.028 -1.720 -7.319 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.699 -0.567 -5.064 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.868 -0.185 -6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.257 -2.948 -5.518 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.538 -1.885 -6.065 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.027 -4.096 -6.901 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.328 -4.220 -8.638 1.00 0.00 H new ATOM 1392 N LEU A 87 -7.949 0.157 -4.881 1.00 0.00 N ATOM 1393 CA LEU A 87 -7.072 1.280 -4.662 1.00 0.00 C ATOM 1394 C LEU A 87 -5.682 0.974 -5.220 1.00 0.00 C ATOM 1395 O LEU A 87 -4.960 1.867 -5.632 1.00 0.00 O ATOM 1396 CB LEU A 87 -7.012 1.587 -3.168 1.00 0.00 C ATOM 1397 CG LEU A 87 -5.997 2.681 -2.843 1.00 0.00 C ATOM 1398 CD1 LEU A 87 -6.213 3.194 -1.420 1.00 0.00 C ATOM 1399 CD2 LEU A 87 -4.571 2.150 -3.001 1.00 0.00 C ATOM 0 H LEU A 87 -8.304 -0.319 -4.052 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.456 2.157 -5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.999 1.895 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.752 0.680 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.140 3.506 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.484 3.973 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.219 3.603 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.090 2.372 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.860 2.942 -2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.418 1.311 -2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.418 1.818 -4.028 1.00 0.00 H new ATOM 1411 N VAL A 88 -5.362 -0.335 -5.238 1.00 0.00 N ATOM 1412 CA VAL A 88 -4.073 -0.707 -5.730 1.00 0.00 C ATOM 1413 C VAL A 88 -4.088 -0.762 -7.238 1.00 0.00 C ATOM 1414 O VAL A 88 -3.225 -0.219 -7.897 1.00 0.00 O ATOM 1415 CB VAL A 88 -3.704 -2.071 -5.199 1.00 0.00 C ATOM 1416 CG1 VAL A 88 -2.634 -2.665 -6.092 1.00 0.00 C ATOM 1417 CG2 VAL A 88 -3.223 -1.977 -3.755 1.00 0.00 C ATOM 0 H VAL A 88 -5.962 -1.100 -4.929 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.345 0.034 -5.399 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.581 -2.718 -5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.357 -3.652 -5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.017 -2.754 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.757 -2.017 -6.090 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.963 -2.972 -3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.346 -1.331 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.016 -1.561 -3.134 1.00 0.00 H new ATOM 1427 N GLU A 89 -5.096 -1.489 -7.740 1.00 0.00 N ATOM 1428 CA GLU A 89 -5.150 -1.618 -9.180 1.00 0.00 C ATOM 1429 C GLU A 89 -5.324 -0.256 -9.813 1.00 0.00 C ATOM 1430 O GLU A 89 -4.690 0.089 -10.803 1.00 0.00 O ATOM 1431 CB GLU A 89 -6.280 -2.533 -9.572 1.00 0.00 C ATOM 1432 CG GLU A 89 -7.631 -1.991 -9.150 1.00 0.00 C ATOM 1433 CD GLU A 89 -8.355 -1.387 -10.354 1.00 0.00 C ATOM 1434 OE1 GLU A 89 -8.836 -2.147 -11.192 1.00 0.00 O ATOM 1435 OE2 GLU A 89 -8.429 -0.162 -10.440 1.00 0.00 O ATOM 0 H GLU A 89 -5.828 -1.960 -7.209 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.215 -2.050 -9.537 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.270 -2.677 -10.652 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.126 -3.512 -9.119 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.233 -2.790 -8.717 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.502 -1.234 -8.376 1.00 0.00 H new ATOM 1442 N HIS A 90 -6.222 0.493 -9.174 1.00 0.00 N ATOM 1443 CA HIS A 90 -6.472 1.820 -9.699 1.00 0.00 C ATOM 1444 C HIS A 90 -5.174 2.569 -9.783 1.00 0.00 C ATOM 1445 O HIS A 90 -4.756 3.048 -10.821 1.00 0.00 O ATOM 1446 CB HIS A 90 -7.430 2.578 -8.799 1.00 0.00 C ATOM 1447 CG HIS A 90 -8.069 3.698 -9.581 1.00 0.00 C ATOM 1448 ND1 HIS A 90 -9.280 3.614 -10.173 1.00 0.00 N ATOM 1449 CD2 HIS A 90 -7.546 4.979 -9.831 1.00 0.00 C ATOM 1450 CE1 HIS A 90 -9.494 4.799 -10.768 1.00 0.00 C ATOM 1451 NE2 HIS A 90 -8.462 5.641 -10.575 1.00 0.00 N ATOM 0 H HIS A 90 -6.754 0.223 -8.347 1.00 0.00 H new ATOM 0 HA HIS A 90 -6.919 1.729 -10.689 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.196 1.904 -8.415 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -6.897 2.979 -7.937 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -6.594 5.362 -9.493 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.382 5.045 -11.331 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.385 6.597 -10.923 1.00 0.00 H new ATOM 1459 N TYR A 91 -4.591 2.646 -8.604 1.00 0.00 N ATOM 1460 CA TYR A 91 -3.327 3.336 -8.506 1.00 0.00 C ATOM 1461 C TYR A 91 -2.298 2.665 -9.414 1.00 0.00 C ATOM 1462 O TYR A 91 -1.335 3.282 -9.851 1.00 0.00 O ATOM 1463 CB TYR A 91 -2.862 3.362 -7.065 1.00 0.00 C ATOM 1464 CG TYR A 91 -3.447 4.550 -6.345 1.00 0.00 C ATOM 1465 CD1 TYR A 91 -4.743 5.018 -6.681 1.00 0.00 C ATOM 1466 CD2 TYR A 91 -2.721 5.212 -5.324 1.00 0.00 C ATOM 1467 CE1 TYR A 91 -5.305 6.121 -6.007 1.00 0.00 C ATOM 1468 CE2 TYR A 91 -3.288 6.320 -4.651 1.00 0.00 C ATOM 1469 CZ TYR A 91 -4.578 6.771 -4.991 1.00 0.00 C ATOM 1470 OH TYR A 91 -5.128 7.851 -4.332 1.00 0.00 O ATOM 0 H TYR A 91 -4.955 2.256 -7.735 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.447 4.367 -8.837 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.161 2.442 -6.563 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.774 3.406 -7.028 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -5.304 4.525 -7.461 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.732 4.870 -5.059 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.293 6.468 -6.270 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.730 6.821 -3.874 1.00 0.00 H new ATOM 0 HH TYR A 91 -4.593 8.652 -4.513 1.00 0.00 H new ATOM 1480 N SER A 92 -2.551 1.364 -9.676 1.00 0.00 N ATOM 1481 CA SER A 92 -1.642 0.674 -10.575 1.00 0.00 C ATOM 1482 C SER A 92 -1.670 1.363 -11.944 1.00 0.00 C ATOM 1483 O SER A 92 -0.826 1.147 -12.805 1.00 0.00 O ATOM 1484 CB SER A 92 -2.112 -0.752 -10.710 1.00 0.00 C ATOM 1485 OG SER A 92 -1.034 -1.651 -10.667 1.00 0.00 O ATOM 0 H SER A 92 -3.324 0.814 -9.301 1.00 0.00 H new ATOM 0 HA SER A 92 -0.624 0.697 -10.187 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.813 -0.983 -9.908 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.651 -0.872 -11.650 1.00 0.00 H new ATOM 0 HG SER A 92 -1.369 -2.568 -10.755 1.00 0.00 H new ATOM 1491 N TYR A 93 -2.712 2.201 -12.062 1.00 0.00 N ATOM 1492 CA TYR A 93 -2.915 2.932 -13.289 1.00 0.00 C ATOM 1493 C TYR A 93 -2.190 4.254 -13.198 1.00 0.00 C ATOM 1494 O TYR A 93 -1.356 4.605 -14.018 1.00 0.00 O ATOM 1495 CB TYR A 93 -4.402 3.212 -13.462 1.00 0.00 C ATOM 1496 CG TYR A 93 -5.238 1.964 -13.391 1.00 0.00 C ATOM 1497 CD1 TYR A 93 -4.650 0.684 -13.550 1.00 0.00 C ATOM 1498 CD2 TYR A 93 -6.630 2.062 -13.159 1.00 0.00 C ATOM 1499 CE1 TYR A 93 -5.446 -0.481 -13.482 1.00 0.00 C ATOM 1500 CE2 TYR A 93 -7.427 0.896 -13.091 1.00 0.00 C ATOM 1501 CZ TYR A 93 -6.835 -0.375 -13.253 1.00 0.00 C ATOM 1502 OH TYR A 93 -7.613 -1.513 -13.188 1.00 0.00 O ATOM 0 H TYR A 93 -3.403 2.376 -11.333 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.540 2.349 -14.130 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.729 3.908 -12.690 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -4.567 3.701 -14.422 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.588 0.599 -13.724 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.086 3.033 -13.033 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.992 -1.453 -13.605 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -8.489 0.978 -12.915 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.422 -1.327 -12.666 1.00 0.00 H new ATOM 1512 N LYS A 94 -2.643 4.969 -12.160 1.00 0.00 N ATOM 1513 CA LYS A 94 -2.108 6.263 -11.879 1.00 0.00 C ATOM 1514 C LYS A 94 -1.739 6.408 -10.419 1.00 0.00 C ATOM 1515 O LYS A 94 -1.862 5.508 -9.601 1.00 0.00 O ATOM 1516 CB LYS A 94 -3.196 7.261 -12.163 1.00 0.00 C ATOM 1517 CG LYS A 94 -4.513 6.843 -11.489 1.00 0.00 C ATOM 1518 CD LYS A 94 -5.670 7.757 -11.894 1.00 0.00 C ATOM 1519 CE LYS A 94 -6.312 7.297 -13.203 1.00 0.00 C ATOM 1520 NZ LYS A 94 -7.394 8.176 -13.630 1.00 0.00 N ATOM 0 H LYS A 94 -3.373 4.658 -11.519 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.215 6.416 -12.485 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.895 8.245 -11.804 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.345 7.346 -13.239 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.750 5.814 -11.760 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.392 6.868 -10.406 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.420 7.769 -11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.307 8.779 -12.004 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.552 7.256 -13.983 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.697 6.285 -13.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.797 7.823 -14.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.134 8.196 -12.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.024 9.137 -13.774 1.00 0.00 H new ATOM 1534 N ALA A 95 -1.283 7.631 -10.182 1.00 0.00 N ATOM 1535 CA ALA A 95 -0.921 8.008 -8.831 1.00 0.00 C ATOM 1536 C ALA A 95 -2.197 8.402 -8.082 1.00 0.00 C ATOM 1537 O ALA A 95 -2.426 8.016 -6.943 1.00 0.00 O ATOM 1538 CB ALA A 95 0.061 9.177 -8.871 1.00 0.00 C ATOM 0 H ALA A 95 -1.159 8.357 -10.888 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.440 7.175 -8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.332 9.459 -7.854 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.957 8.881 -9.417 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.404 10.026 -9.371 1.00 0.00 H new ATOM 1544 N ASP A 96 -3.013 9.194 -8.811 1.00 0.00 N ATOM 1545 CA ASP A 96 -4.273 9.643 -8.222 1.00 0.00 C ATOM 1546 C ASP A 96 -4.039 10.662 -7.108 1.00 0.00 C ATOM 1547 O ASP A 96 -4.956 11.283 -6.585 1.00 0.00 O ATOM 1548 CB ASP A 96 -5.012 8.444 -7.677 1.00 0.00 C ATOM 1549 CG ASP A 96 -6.374 8.293 -8.363 1.00 0.00 C ATOM 1550 OD1 ASP A 96 -6.853 9.262 -8.949 1.00 0.00 O ATOM 1551 OD2 ASP A 96 -6.943 7.206 -8.298 1.00 0.00 O ATOM 0 H ASP A 96 -2.828 9.518 -9.760 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.865 10.132 -8.996 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.419 7.543 -7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.151 8.553 -6.601 1.00 0.00 H new ATOM 1556 N GLY A 97 -2.757 10.777 -6.800 1.00 0.00 N ATOM 1557 CA GLY A 97 -2.355 11.694 -5.757 1.00 0.00 C ATOM 1558 C GLY A 97 -0.912 11.426 -5.313 1.00 0.00 C ATOM 1559 O GLY A 97 -0.186 12.326 -4.909 1.00 0.00 O ATOM 0 H GLY A 97 -1.999 10.261 -7.246 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.444 12.719 -6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.026 11.596 -4.903 1.00 0.00 H new ATOM 1563 N LEU A 98 -0.552 10.130 -5.416 1.00 0.00 N ATOM 1564 CA LEU A 98 0.788 9.754 -5.028 1.00 0.00 C ATOM 1565 C LEU A 98 1.764 10.712 -5.694 1.00 0.00 C ATOM 1566 O LEU A 98 1.393 11.520 -6.536 1.00 0.00 O ATOM 1567 CB LEU A 98 1.080 8.341 -5.518 1.00 0.00 C ATOM 1568 CG LEU A 98 -0.013 7.357 -5.133 1.00 0.00 C ATOM 1569 CD1 LEU A 98 0.146 6.068 -5.918 1.00 0.00 C ATOM 1570 CD2 LEU A 98 0.038 7.084 -3.632 1.00 0.00 C ATOM 0 H LEU A 98 -1.149 9.373 -5.749 1.00 0.00 H new ATOM 0 HA LEU A 98 0.887 9.793 -3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.191 8.351 -6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.030 8.005 -5.104 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.984 7.789 -5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.642 5.370 -5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.076 6.281 -6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.118 5.626 -5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.748 6.378 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.009 6.662 -3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.110 8.016 -3.087 1.00 0.00 H new ATOM 1582 N LEU A 99 3.029 10.574 -5.274 1.00 0.00 N ATOM 1583 CA LEU A 99 4.033 11.401 -5.893 1.00 0.00 C ATOM 1584 C LEU A 99 4.123 11.018 -7.378 1.00 0.00 C ATOM 1585 O LEU A 99 4.284 11.856 -8.257 1.00 0.00 O ATOM 1586 CB LEU A 99 5.353 11.155 -5.176 1.00 0.00 C ATOM 1587 CG LEU A 99 6.154 12.434 -4.920 1.00 0.00 C ATOM 1588 CD1 LEU A 99 5.241 13.647 -4.723 1.00 0.00 C ATOM 1589 CD2 LEU A 99 7.020 12.234 -3.685 1.00 0.00 C ATOM 0 H LEU A 99 3.354 9.933 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 99 3.787 12.460 -5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.154 10.663 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.958 10.469 -5.769 1.00 0.00 H new ATOM 0 HG LEU A 99 6.776 12.631 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.848 14.534 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.636 13.796 -5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.588 13.476 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.595 13.140 -3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.384 12.019 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.702 11.399 -3.850 1.00 0.00 H new ATOM 1601 N ARG A 100 4.002 9.687 -7.581 1.00 0.00 N ATOM 1602 CA ARG A 100 4.040 9.165 -8.930 1.00 0.00 C ATOM 1603 C ARG A 100 3.247 7.854 -8.974 1.00 0.00 C ATOM 1604 O ARG A 100 3.068 7.173 -7.971 1.00 0.00 O ATOM 1605 CB ARG A 100 5.486 8.920 -9.332 1.00 0.00 C ATOM 1606 CG ARG A 100 5.638 8.782 -10.847 1.00 0.00 C ATOM 1607 CD ARG A 100 6.036 10.109 -11.494 1.00 0.00 C ATOM 1608 NE ARG A 100 5.147 11.170 -11.057 1.00 0.00 N ATOM 1609 CZ ARG A 100 5.485 12.446 -11.322 1.00 0.00 C ATOM 1610 NH1 ARG A 100 6.612 12.715 -11.978 1.00 0.00 N ATOM 1611 NH2 ARG A 100 4.693 13.439 -10.930 1.00 0.00 N ATOM 0 H ARG A 100 3.882 8.991 -6.845 1.00 0.00 H new ATOM 0 HA ARG A 100 3.597 9.878 -9.625 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.106 9.743 -8.978 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.850 8.015 -8.846 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.391 8.027 -11.071 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.699 8.433 -11.278 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.065 10.356 -11.230 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.998 10.018 -12.580 1.00 0.00 H new ATOM 0 HE ARG A 100 4.284 10.953 -10.559 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.220 11.954 -12.280 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.867 13.682 -12.178 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.829 13.234 -10.428 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.949 14.406 -11.131 1.00 0.00 H new ATOM 1625 N VAL A 101 2.788 7.555 -10.200 1.00 0.00 N ATOM 1626 CA VAL A 101 2.030 6.347 -10.403 1.00 0.00 C ATOM 1627 C VAL A 101 2.834 5.137 -9.929 1.00 0.00 C ATOM 1628 O VAL A 101 3.976 5.235 -9.497 1.00 0.00 O ATOM 1629 CB VAL A 101 1.790 6.206 -11.891 1.00 0.00 C ATOM 1630 CG1 VAL A 101 0.729 5.170 -12.161 1.00 0.00 C ATOM 1631 CG2 VAL A 101 1.397 7.548 -12.512 1.00 0.00 C ATOM 0 H VAL A 101 2.932 8.126 -11.033 1.00 0.00 H new ATOM 0 HA VAL A 101 1.094 6.396 -9.846 1.00 0.00 H new ATOM 0 HB VAL A 101 2.721 5.878 -12.353 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.571 5.083 -13.236 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.050 4.208 -11.763 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.202 5.469 -11.680 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.230 7.419 -13.581 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.483 7.912 -12.043 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.198 8.270 -12.354 1.00 0.00 H new ATOM 1641 N LEU A 102 2.143 3.996 -10.053 1.00 0.00 N ATOM 1642 CA LEU A 102 2.770 2.732 -9.714 1.00 0.00 C ATOM 1643 C LEU A 102 3.166 2.048 -11.004 1.00 0.00 C ATOM 1644 O LEU A 102 2.659 2.340 -12.081 1.00 0.00 O ATOM 1645 CB LEU A 102 1.798 1.846 -8.964 1.00 0.00 C ATOM 1646 CG LEU A 102 1.578 2.306 -7.528 1.00 0.00 C ATOM 1647 CD1 LEU A 102 1.418 3.815 -7.443 1.00 0.00 C ATOM 1648 CD2 LEU A 102 0.350 1.614 -6.942 1.00 0.00 C ATOM 0 H LEU A 102 1.178 3.931 -10.377 1.00 0.00 H new ATOM 0 HA LEU A 102 3.640 2.910 -9.081 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.843 1.834 -9.489 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.172 0.822 -8.961 1.00 0.00 H new ATOM 0 HG LEU A 102 2.460 2.032 -6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.263 4.106 -6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.317 4.298 -7.825 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.559 4.124 -8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.199 1.948 -5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.528 1.865 -7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.500 0.534 -6.954 1.00 0.00 H new ATOM 1660 N THR A 103 4.101 1.126 -10.817 1.00 0.00 N ATOM 1661 CA THR A 103 4.587 0.409 -11.963 1.00 0.00 C ATOM 1662 C THR A 103 5.064 -0.993 -11.560 1.00 0.00 C ATOM 1663 O THR A 103 4.909 -1.959 -12.297 1.00 0.00 O ATOM 1664 CB THR A 103 5.714 1.245 -12.565 1.00 0.00 C ATOM 1665 OG1 THR A 103 5.299 1.777 -13.797 1.00 0.00 O ATOM 1666 CG2 THR A 103 6.990 0.452 -12.753 1.00 0.00 C ATOM 0 H THR A 103 4.516 0.872 -9.921 1.00 0.00 H new ATOM 0 HA THR A 103 3.799 0.261 -12.702 1.00 0.00 H new ATOM 0 HB THR A 103 5.935 2.048 -11.861 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.379 2.106 -13.718 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.758 1.095 -13.184 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.331 0.077 -11.788 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.802 -0.387 -13.423 1.00 0.00 H new ATOM 1674 N VAL A 104 5.654 -1.037 -10.347 1.00 0.00 N ATOM 1675 CA VAL A 104 6.173 -2.334 -9.883 1.00 0.00 C ATOM 1676 C VAL A 104 5.912 -2.567 -8.394 1.00 0.00 C ATOM 1677 O VAL A 104 5.928 -1.648 -7.586 1.00 0.00 O ATOM 1678 CB VAL A 104 7.690 -2.365 -10.078 1.00 0.00 C ATOM 1679 CG1 VAL A 104 8.270 -3.728 -9.688 1.00 0.00 C ATOM 1680 CG2 VAL A 104 8.080 -2.056 -11.521 1.00 0.00 C ATOM 0 H VAL A 104 5.777 -0.248 -9.712 1.00 0.00 H new ATOM 0 HA VAL A 104 5.663 -3.105 -10.461 1.00 0.00 H new ATOM 0 HB VAL A 104 8.103 -1.594 -9.427 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.350 -3.720 -9.837 1.00 0.00 H new ATOM 0 HG12 VAL A 104 8.050 -3.931 -8.640 1.00 0.00 H new ATOM 0 HG13 VAL A 104 7.824 -4.505 -10.309 1.00 0.00 H new ATOM 0 HG21 VAL A 104 9.165 -2.088 -11.619 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.634 -2.796 -12.185 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.720 -1.063 -11.791 1.00 0.00 H new ATOM 1690 N PRO A 105 5.674 -3.872 -8.074 1.00 0.00 N ATOM 1691 CA PRO A 105 5.521 -4.317 -6.702 1.00 0.00 C ATOM 1692 C PRO A 105 6.901 -4.332 -6.043 1.00 0.00 C ATOM 1693 O PRO A 105 7.883 -4.755 -6.641 1.00 0.00 O ATOM 1694 CB PRO A 105 4.959 -5.734 -6.779 1.00 0.00 C ATOM 1695 CG PRO A 105 5.031 -6.160 -8.255 1.00 0.00 C ATOM 1696 CD PRO A 105 5.457 -4.922 -9.056 1.00 0.00 C ATOM 0 HA PRO A 105 4.864 -3.669 -6.122 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.536 -6.414 -6.152 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.931 -5.762 -6.418 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.747 -6.971 -8.388 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.064 -6.528 -8.598 1.00 0.00 H new ATOM 0 HD2 PRO A 105 6.365 -5.118 -9.626 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.687 -4.635 -9.772 1.00 0.00 H new ATOM 1704 N CYS A 106 6.928 -3.848 -4.801 1.00 0.00 N ATOM 1705 CA CYS A 106 8.229 -3.757 -4.158 1.00 0.00 C ATOM 1706 C CYS A 106 8.590 -4.991 -3.344 1.00 0.00 C ATOM 1707 O CYS A 106 9.538 -5.703 -3.652 1.00 0.00 O ATOM 1708 CB CYS A 106 8.289 -2.520 -3.280 1.00 0.00 C ATOM 1709 SG CYS A 106 9.957 -1.829 -3.196 1.00 0.00 S ATOM 0 H CYS A 106 6.125 -3.535 -4.256 1.00 0.00 H new ATOM 0 HA CYS A 106 8.966 -3.687 -4.958 1.00 0.00 H new ATOM 0 HB2 CYS A 106 7.604 -1.766 -3.668 1.00 0.00 H new ATOM 0 HB3 CYS A 106 7.950 -2.772 -2.275 1.00 0.00 H new ATOM 0 HG CYS A 106 10.829 -2.784 -3.329 1.00 0.00 H new ATOM 1715 N GLN A 107 7.795 -5.182 -2.278 1.00 0.00 N ATOM 1716 CA GLN A 107 8.081 -6.269 -1.385 1.00 0.00 C ATOM 1717 C GLN A 107 8.600 -7.492 -2.103 1.00 0.00 C ATOM 1718 O GLN A 107 8.449 -7.696 -3.301 1.00 0.00 O ATOM 1719 CB GLN A 107 6.862 -6.606 -0.581 1.00 0.00 C ATOM 1720 CG GLN A 107 7.222 -6.760 0.889 1.00 0.00 C ATOM 1721 CD GLN A 107 7.847 -8.132 1.146 1.00 0.00 C ATOM 1722 OE1 GLN A 107 7.543 -9.115 0.482 1.00 0.00 O ATOM 1723 NE2 GLN A 107 8.738 -8.125 2.154 1.00 0.00 N ATOM 0 H GLN A 107 6.985 -4.612 -2.036 1.00 0.00 H new ATOM 0 HA GLN A 107 8.877 -5.939 -0.717 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.113 -5.823 -0.698 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.418 -7.530 -0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.919 -5.975 1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.329 -6.640 1.503 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.933 -7.259 2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.219 -8.986 2.416 1.00 0.00 H new ATOM 1857 N GLU B 3 3.408 10.103 3.933 1.00 0.00 N ATOM 1858 CA GLU B 3 3.553 11.131 2.920 1.00 0.00 C ATOM 1859 C GLU B 3 2.182 11.703 2.641 1.00 0.00 C ATOM 1860 O GLU B 3 1.168 11.227 3.136 1.00 0.00 O ATOM 1861 CB GLU B 3 4.157 10.577 1.639 1.00 0.00 C ATOM 1862 CG GLU B 3 5.689 10.589 1.661 1.00 0.00 C ATOM 1863 CD GLU B 3 6.230 11.822 2.389 1.00 0.00 C ATOM 1864 OE1 GLU B 3 5.962 12.935 1.939 1.00 0.00 O ATOM 1865 OE2 GLU B 3 6.913 11.655 3.399 1.00 0.00 O ATOM 0 HA GLU B 3 4.231 11.903 3.285 1.00 0.00 H new ATOM 0 HB2 GLU B 3 3.807 9.556 1.488 1.00 0.00 H new ATOM 0 HB3 GLU B 3 3.804 11.164 0.791 1.00 0.00 H new ATOM 0 HG2 GLU B 3 6.054 9.686 2.151 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.069 10.573 0.639 1.00 0.00 H new ATOM 1872 N THR B 4 2.214 12.753 1.820 1.00 0.00 N ATOM 1873 CA THR B 4 0.959 13.372 1.481 1.00 0.00 C ATOM 1874 C THR B 4 0.664 13.125 0.019 1.00 0.00 C ATOM 1875 O THR B 4 1.233 13.721 -0.887 1.00 0.00 O ATOM 1876 CB THR B 4 0.999 14.859 1.794 1.00 0.00 C ATOM 1877 OG1 THR B 4 2.329 15.321 1.742 1.00 0.00 O ATOM 1878 CG2 THR B 4 0.403 15.162 3.168 1.00 0.00 C ATOM 0 H THR B 4 3.049 13.165 1.404 1.00 0.00 H new ATOM 0 HA THR B 4 0.160 12.934 2.079 1.00 0.00 H new ATOM 0 HB THR B 4 0.397 15.374 1.045 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.350 16.280 1.943 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.449 16.235 3.356 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.636 14.833 3.194 1.00 0.00 H new ATOM 0 HG23 THR B 4 0.970 14.634 3.935 1.00 0.00 H new ATOM 1886 N LEU B 5 -0.271 12.190 -0.117 1.00 0.00 N ATOM 1887 CA LEU B 5 -0.701 11.796 -1.416 1.00 0.00 C ATOM 1888 C LEU B 5 -1.192 13.029 -2.181 1.00 0.00 C ATOM 1889 O LEU B 5 -0.801 14.155 -1.903 1.00 0.00 O ATOM 1890 CB LEU B 5 -1.794 10.756 -1.229 1.00 0.00 C ATOM 1891 CG LEU B 5 -1.383 9.459 -1.880 1.00 0.00 C ATOM 1892 CD1 LEU B 5 -1.730 8.271 -1.018 1.00 0.00 C ATOM 1893 CD2 LEU B 5 -2.076 9.326 -3.197 1.00 0.00 C ATOM 0 H LEU B 5 -0.729 11.708 0.657 1.00 0.00 H new ATOM 0 HA LEU B 5 0.107 11.360 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.980 10.597 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.727 11.113 -1.666 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.302 9.478 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.419 7.354 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.215 8.353 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.807 8.245 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -1.781 8.389 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.155 9.331 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -1.798 10.161 -3.840 1.00 0.00 H new