USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 949 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 117 ASN : amide:sc= -1.23 X(o=-4.1,f=-4.1) USER MOD Set 1.2: A 134 GLN : amide:sc= -2.86 K(o=-4.1,f=-11!) USER MOD Set 2.1: A 115 ASN : amide:sc= -5.64! C(o=-15!,f=-12!) USER MOD Set 2.2: A 131 GLN : amide:sc= -9.41! C(o=-15!,f=-13!) USER MOD Set 3.1: A 47 HIS : no HE2:sc= -3.52! C(o=-7.9!,f=-6.2!) USER MOD Set 3.2: A 78 ASN : amide:sc= -4.33! K(o=-7.9!,f=-4.1) USER MOD Set 4.1: A 73 ASN : amide:sc= -9! C(o=-10!,f=-16!) USER MOD Set 4.2: A 136 MET CE :methyl 157:sc= -1.18 (180deg=-2.43!) USER MOD Set 5.1: A 22 HIS : no HD1:sc= -1.13 K(o=-0.85,f=-4.5!) USER MOD Set 5.2: A 68 SER OG : rot -120:sc= 0.284 USER MOD Single : A 24 HIS : no HD1:sc= -12.1! C(o=-12!,f=-11!) USER MOD Single : A 27 THR OG1 : rot 97:sc= 0.254 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0.0569 (180deg=0.0563) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 152:sc= -7.38! (180deg=-9.97!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 178:sc= -1.75 (180deg=-1.77) USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0932) USER MOD Single : A 60 LYS NZ :NH3+ -129:sc= -0.0148 (180deg=-0.551) USER MOD Single : A 64 SER OG : rot 140:sc= -2.31! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -35:sc= -1.55 USER MOD Single : A 72 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-0.014) USER MOD Single : A 76 MET CE :methyl -162:sc= -2.22 (180deg=-2.81!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 28:sc= 1.35 USER MOD Single : A 96 TYR OH : rot 103:sc= -6.95! USER MOD Single : A 106 SER OG : rot 83:sc= 1.13 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.0175 K(o=-0.018,f=-0.72) USER MOD Single : A 119 ASN : amide:sc= -1.93! C(o=-1.9!,f=-2.7!) USER MOD Single : A 121 SER OG : rot 50:sc= 1.16 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 159:sc= -0.328 (180deg=-1.22) USER MOD Single : A 124 TYR OH : rot 15:sc= -1.75 USER MOD Single : A 126 TYR OH : rot 165:sc= -0.388 USER MOD Single : A 128 SER OG : rot -73:sc= 1.12 USER MOD Single : A 137 LYS NZ :NH3+ -140:sc= -4.65! (180deg=-9.81!) USER MOD Single : A 140 GLN : amide:sc= -2.43! C(o=-2.4!,f=-1.9!) USER MOD Single : A 144 THR OG1 : rot -156:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 308 N HIS A 22 -8.405 -0.672 -10.609 1.00 0.00 N ATOM 309 CA HIS A 22 -8.600 -1.563 -9.469 1.00 0.00 C ATOM 310 C HIS A 22 -7.324 -2.348 -9.190 1.00 0.00 C ATOM 311 O HIS A 22 -7.055 -3.360 -9.834 1.00 0.00 O ATOM 312 CB HIS A 22 -9.760 -2.525 -9.736 1.00 0.00 C ATOM 313 CG HIS A 22 -9.586 -3.341 -10.979 1.00 0.00 C ATOM 314 ND1 HIS A 22 -9.115 -4.637 -10.969 1.00 0.00 N ATOM 315 CD2 HIS A 22 -9.825 -3.040 -12.277 1.00 0.00 C ATOM 316 CE1 HIS A 22 -9.073 -5.098 -12.207 1.00 0.00 C ATOM 317 NE2 HIS A 22 -9.498 -4.149 -13.019 1.00 0.00 N ATOM 0 HA HIS A 22 -8.841 -0.959 -8.594 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.869 -3.195 -8.883 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.685 -1.954 -9.813 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.202 -2.103 -12.658 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -8.746 -6.084 -12.503 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.572 -4.226 -14.033 1.00 0.00 H new ATOM 326 N ILE A 23 -6.538 -1.865 -8.232 1.00 0.00 N ATOM 327 CA ILE A 23 -5.282 -2.500 -7.870 1.00 0.00 C ATOM 328 C ILE A 23 -4.872 -2.160 -6.429 1.00 0.00 C ATOM 329 O ILE A 23 -5.152 -2.916 -5.493 1.00 0.00 O ATOM 330 CB ILE A 23 -4.145 -2.070 -8.825 1.00 0.00 C ATOM 331 CG1 ILE A 23 -4.427 -2.520 -10.260 1.00 0.00 C ATOM 332 CG2 ILE A 23 -2.814 -2.623 -8.350 1.00 0.00 C ATOM 333 CD1 ILE A 23 -5.108 -1.458 -11.099 1.00 0.00 C ATOM 0 H ILE A 23 -6.755 -1.028 -7.690 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.441 -3.575 -7.952 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.095 -0.981 -8.817 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.488 -2.802 -10.736 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.053 -3.412 -10.237 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.025 -2.310 -9.034 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.599 -2.245 -7.351 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.861 -3.712 -8.324 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.279 -1.843 -12.105 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.063 -1.193 -10.645 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.473 -0.574 -11.152 1.00 0.00 H new ATOM 345 N HIS A 24 -4.194 -1.019 -6.257 1.00 0.00 N ATOM 346 CA HIS A 24 -3.735 -0.595 -4.937 1.00 0.00 C ATOM 347 C HIS A 24 -4.800 0.219 -4.220 1.00 0.00 C ATOM 348 O HIS A 24 -4.504 1.194 -3.530 1.00 0.00 O ATOM 349 CB HIS A 24 -2.432 0.218 -5.031 1.00 0.00 C ATOM 350 CG HIS A 24 -1.525 -0.172 -6.164 1.00 0.00 C ATOM 351 ND1 HIS A 24 -0.276 -0.728 -5.970 1.00 0.00 N ATOM 352 CD2 HIS A 24 -1.679 -0.068 -7.506 1.00 0.00 C ATOM 353 CE1 HIS A 24 0.295 -0.949 -7.141 1.00 0.00 C ATOM 354 NE2 HIS A 24 -0.535 -0.557 -8.088 1.00 0.00 N ATOM 0 H HIS A 24 -3.954 -0.378 -7.014 1.00 0.00 H new ATOM 0 HA HIS A 24 -3.539 -1.499 -4.361 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -2.685 1.273 -5.134 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.886 0.111 -4.094 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -2.542 0.326 -8.023 1.00 0.00 H new ATOM 0 HE1 HIS A 24 1.274 -1.377 -7.296 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -0.356 -0.609 -9.091 1.00 0.00 H new ATOM 363 N TRP A 25 -6.040 -0.189 -4.403 1.00 0.00 N ATOM 364 CA TRP A 25 -7.183 0.486 -3.806 1.00 0.00 C ATOM 365 C TRP A 25 -8.353 -0.478 -3.681 1.00 0.00 C ATOM 366 O TRP A 25 -9.465 -0.080 -3.334 1.00 0.00 O ATOM 367 CB TRP A 25 -7.577 1.665 -4.684 1.00 0.00 C ATOM 368 CG TRP A 25 -6.982 1.544 -6.045 1.00 0.00 C ATOM 369 CD1 TRP A 25 -7.537 0.935 -7.124 1.00 0.00 C ATOM 370 CD2 TRP A 25 -5.691 1.999 -6.459 1.00 0.00 C ATOM 371 NE1 TRP A 25 -6.670 0.974 -8.181 1.00 0.00 N ATOM 372 CE2 TRP A 25 -5.535 1.634 -7.803 1.00 0.00 C ATOM 373 CE3 TRP A 25 -4.659 2.683 -5.824 1.00 0.00 C ATOM 374 CZ2 TRP A 25 -4.381 1.928 -8.525 1.00 0.00 C ATOM 375 CZ3 TRP A 25 -3.519 2.975 -6.532 1.00 0.00 C ATOM 376 CH2 TRP A 25 -3.384 2.600 -7.874 1.00 0.00 C ATOM 0 H TRP A 25 -6.288 -1.000 -4.971 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.916 0.841 -2.811 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -8.663 1.717 -4.762 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -7.246 2.594 -4.220 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.519 0.486 -7.145 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -6.843 0.574 -9.103 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -4.753 2.980 -4.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.278 1.636 -9.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.713 3.503 -6.045 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.476 2.846 -8.405 1.00 0.00 H new ATOM 387 N ARG A 26 -8.094 -1.750 -3.975 1.00 0.00 N ATOM 388 CA ARG A 26 -9.119 -2.775 -3.906 1.00 0.00 C ATOM 389 C ARG A 26 -9.916 -2.654 -2.606 1.00 0.00 C ATOM 390 O ARG A 26 -11.091 -3.012 -2.555 1.00 0.00 O ATOM 391 CB ARG A 26 -8.492 -4.167 -4.011 1.00 0.00 C ATOM 392 CG ARG A 26 -8.551 -4.754 -5.413 1.00 0.00 C ATOM 393 CD ARG A 26 -9.352 -6.046 -5.446 1.00 0.00 C ATOM 394 NE ARG A 26 -8.507 -7.217 -5.228 1.00 0.00 N ATOM 395 CZ ARG A 26 -8.878 -8.463 -5.516 1.00 0.00 C ATOM 396 NH1 ARG A 26 -10.077 -8.702 -6.033 1.00 0.00 N ATOM 397 NH2 ARG A 26 -8.048 -9.471 -5.288 1.00 0.00 N ATOM 0 H ARG A 26 -7.177 -2.091 -4.264 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.800 -2.633 -4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -7.451 -4.113 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.003 -4.840 -3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.000 -4.030 -6.093 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.539 -4.943 -5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.128 -6.011 -4.682 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.856 -6.136 -6.408 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.578 -7.072 -4.832 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.719 -7.929 -6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.357 -9.658 -6.252 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.125 -9.292 -4.892 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.332 -10.425 -5.509 1.00 0.00 H new ATOM 411 N THR A 27 -9.250 -2.139 -1.563 1.00 0.00 N ATOM 412 CA THR A 27 -9.866 -1.943 -0.243 1.00 0.00 C ATOM 413 C THR A 27 -9.567 -3.112 0.689 1.00 0.00 C ATOM 414 O THR A 27 -9.403 -4.249 0.247 1.00 0.00 O ATOM 415 CB THR A 27 -11.382 -1.737 -0.349 1.00 0.00 C ATOM 416 OG1 THR A 27 -11.699 -0.895 -1.444 1.00 0.00 O ATOM 417 CG2 THR A 27 -11.990 -1.121 0.892 1.00 0.00 C ATOM 0 H THR A 27 -8.274 -1.848 -1.610 1.00 0.00 H new ATOM 0 HA THR A 27 -9.425 -1.039 0.177 1.00 0.00 H new ATOM 0 HB THR A 27 -11.800 -2.735 -0.483 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.942 -1.444 -2.219 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.064 -1.003 0.750 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.806 -1.770 1.748 1.00 0.00 H new ATOM 0 HG23 THR A 27 -11.538 -0.146 1.073 1.00 0.00 H new ATOM 425 N LEU A 28 -9.499 -2.816 1.984 1.00 0.00 N ATOM 426 CA LEU A 28 -9.218 -3.832 2.993 1.00 0.00 C ATOM 427 C LEU A 28 -10.379 -4.811 3.126 1.00 0.00 C ATOM 428 O LEU A 28 -10.195 -5.952 3.547 1.00 0.00 O ATOM 429 CB LEU A 28 -8.936 -3.170 4.344 1.00 0.00 C ATOM 430 CG LEU A 28 -8.675 -4.143 5.497 1.00 0.00 C ATOM 431 CD1 LEU A 28 -7.776 -3.500 6.542 1.00 0.00 C ATOM 432 CD2 LEU A 28 -9.988 -4.593 6.122 1.00 0.00 C ATOM 0 H LEU A 28 -9.635 -1.878 2.360 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.337 -4.389 2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.071 -2.515 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.784 -2.538 4.606 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.166 -5.021 5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.601 -4.205 7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.824 -3.228 6.086 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.258 -2.605 6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.784 -5.284 6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.525 -3.725 6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.597 -5.092 5.369 1.00 0.00 H new ATOM 444 N GLU A 29 -11.577 -4.363 2.763 1.00 0.00 N ATOM 445 CA GLU A 29 -12.762 -5.209 2.843 1.00 0.00 C ATOM 446 C GLU A 29 -12.574 -6.481 2.022 1.00 0.00 C ATOM 447 O GLU A 29 -12.497 -7.582 2.571 1.00 0.00 O ATOM 448 CB GLU A 29 -13.994 -4.445 2.351 1.00 0.00 C ATOM 449 CG GLU A 29 -15.312 -5.069 2.787 1.00 0.00 C ATOM 450 CD GLU A 29 -16.100 -5.639 1.623 1.00 0.00 C ATOM 451 OE1 GLU A 29 -16.787 -4.857 0.932 1.00 0.00 O ATOM 452 OE2 GLU A 29 -16.031 -6.867 1.404 1.00 0.00 O ATOM 0 H GLU A 29 -11.752 -3.422 2.412 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.912 -5.489 3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.947 -3.420 2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.968 -4.393 1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.114 -5.861 3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.915 -4.317 3.296 1.00 0.00 H new ATOM 459 N ASP A 30 -12.492 -6.321 0.707 1.00 0.00 N ATOM 460 CA ASP A 30 -12.306 -7.454 -0.193 1.00 0.00 C ATOM 461 C ASP A 30 -10.835 -7.857 -0.267 1.00 0.00 C ATOM 462 O ASP A 30 -10.511 -8.989 -0.624 1.00 0.00 O ATOM 463 CB ASP A 30 -12.824 -7.113 -1.591 1.00 0.00 C ATOM 464 CG ASP A 30 -13.499 -8.295 -2.260 1.00 0.00 C ATOM 465 OD1 ASP A 30 -12.779 -9.164 -2.792 1.00 0.00 O ATOM 466 OD2 ASP A 30 -14.746 -8.349 -2.252 1.00 0.00 O ATOM 0 H ASP A 30 -12.551 -5.417 0.239 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.875 -8.296 0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.530 -6.286 -1.522 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.994 -6.773 -2.211 1.00 0.00 H new ATOM 471 N GLY A 31 -9.950 -6.922 0.067 1.00 0.00 N ATOM 472 CA GLY A 31 -8.526 -7.202 0.026 1.00 0.00 C ATOM 473 C GLY A 31 -8.067 -8.069 1.180 1.00 0.00 C ATOM 474 O GLY A 31 -7.158 -8.885 1.027 1.00 0.00 O ATOM 0 H GLY A 31 -10.193 -5.977 0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.284 -7.698 -0.914 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.974 -6.262 0.041 1.00 0.00 H new ATOM 478 N LYS A 32 -8.695 -7.897 2.338 1.00 0.00 N ATOM 479 CA LYS A 32 -8.342 -8.674 3.520 1.00 0.00 C ATOM 480 C LYS A 32 -8.937 -10.075 3.440 1.00 0.00 C ATOM 481 O LYS A 32 -8.233 -11.070 3.619 1.00 0.00 O ATOM 482 CB LYS A 32 -8.829 -7.971 4.788 1.00 0.00 C ATOM 483 CG LYS A 32 -8.230 -8.537 6.065 1.00 0.00 C ATOM 484 CD LYS A 32 -8.864 -7.917 7.301 1.00 0.00 C ATOM 485 CE LYS A 32 -7.900 -7.911 8.475 1.00 0.00 C ATOM 486 NZ LYS A 32 -8.579 -7.543 9.749 1.00 0.00 N ATOM 0 H LYS A 32 -9.450 -7.227 2.483 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.256 -8.758 3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.586 -6.910 4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.915 -8.047 4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.370 -9.618 6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.155 -8.355 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.175 -6.896 7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.762 -8.473 7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.446 -8.897 8.577 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.092 -7.207 8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.887 -7.550 10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.991 -6.592 9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.334 -8.229 9.951 1.00 0.00 H new ATOM 500 N LYS A 33 -10.236 -10.147 3.169 1.00 0.00 N ATOM 501 CA LYS A 33 -10.922 -11.430 3.061 1.00 0.00 C ATOM 502 C LYS A 33 -10.281 -12.300 1.983 1.00 0.00 C ATOM 503 O LYS A 33 -10.344 -13.528 2.045 1.00 0.00 O ATOM 504 CB LYS A 33 -12.403 -11.215 2.749 1.00 0.00 C ATOM 505 CG LYS A 33 -12.649 -10.359 1.519 1.00 0.00 C ATOM 506 CD LYS A 33 -12.717 -11.204 0.256 1.00 0.00 C ATOM 507 CE LYS A 33 -14.151 -11.401 -0.207 1.00 0.00 C ATOM 508 NZ LYS A 33 -14.220 -11.848 -1.626 1.00 0.00 N ATOM 0 H LYS A 33 -10.834 -9.334 3.020 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.832 -11.945 4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.880 -12.185 2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.882 -10.747 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.581 -9.807 1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.852 -9.622 1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.141 -10.724 -0.535 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.257 -12.175 0.441 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.640 -12.138 0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.701 -10.467 -0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.213 -12.004 -1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.806 -11.118 -2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.689 -12.735 -1.737 1.00 0.00 H new ATOM 522 N GLU A 34 -9.664 -11.655 0.997 1.00 0.00 N ATOM 523 CA GLU A 34 -9.011 -12.372 -0.093 1.00 0.00 C ATOM 524 C GLU A 34 -7.531 -12.588 0.211 1.00 0.00 C ATOM 525 O GLU A 34 -6.975 -13.644 -0.090 1.00 0.00 O ATOM 526 CB GLU A 34 -9.169 -11.605 -1.406 1.00 0.00 C ATOM 527 CG GLU A 34 -8.776 -12.414 -2.631 1.00 0.00 C ATOM 528 CD GLU A 34 -9.788 -12.301 -3.755 1.00 0.00 C ATOM 529 OE1 GLU A 34 -9.784 -11.267 -4.454 1.00 0.00 O ATOM 530 OE2 GLU A 34 -10.584 -13.246 -3.936 1.00 0.00 O ATOM 0 H GLU A 34 -9.603 -10.639 0.931 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.490 -13.346 -0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.206 -11.286 -1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.560 -10.702 -1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.803 -12.076 -2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.666 -13.461 -2.350 1.00 0.00 H new ATOM 537 N ALA A 35 -6.899 -11.582 0.808 1.00 0.00 N ATOM 538 CA ALA A 35 -5.483 -11.667 1.154 1.00 0.00 C ATOM 539 C ALA A 35 -5.209 -12.876 2.040 1.00 0.00 C ATOM 540 O ALA A 35 -4.121 -13.448 2.006 1.00 0.00 O ATOM 541 CB ALA A 35 -5.027 -10.390 1.845 1.00 0.00 C ATOM 0 H ALA A 35 -7.343 -10.700 1.062 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.916 -11.787 0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.969 -10.470 2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.178 -9.541 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.606 -10.243 2.757 1.00 0.00 H new ATOM 547 N ALA A 36 -6.207 -13.260 2.831 1.00 0.00 N ATOM 548 CA ALA A 36 -6.077 -14.403 3.724 1.00 0.00 C ATOM 549 C ALA A 36 -5.940 -15.702 2.937 1.00 0.00 C ATOM 550 O ALA A 36 -5.128 -16.563 3.278 1.00 0.00 O ATOM 551 CB ALA A 36 -7.274 -14.476 4.662 1.00 0.00 C ATOM 0 H ALA A 36 -7.114 -12.795 2.870 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.171 -14.271 4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.165 -15.335 5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.327 -13.564 5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.188 -14.582 4.078 1.00 0.00 H new ATOM 557 N ALA A 37 -6.736 -15.836 1.881 1.00 0.00 N ATOM 558 CA ALA A 37 -6.701 -17.028 1.042 1.00 0.00 C ATOM 559 C ALA A 37 -5.297 -17.277 0.501 1.00 0.00 C ATOM 560 O ALA A 37 -4.593 -18.173 0.965 1.00 0.00 O ATOM 561 CB ALA A 37 -7.695 -16.898 -0.101 1.00 0.00 C ATOM 0 H ALA A 37 -7.414 -15.133 1.586 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.982 -17.884 1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.658 -17.795 -0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.700 -16.777 0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.440 -16.029 -0.707 1.00 0.00 H new ATOM 567 N SER A 38 -4.897 -16.475 -0.479 1.00 0.00 N ATOM 568 CA SER A 38 -3.574 -16.604 -1.080 1.00 0.00 C ATOM 569 C SER A 38 -2.486 -16.254 -0.069 1.00 0.00 C ATOM 570 O SER A 38 -1.363 -16.752 -0.153 1.00 0.00 O ATOM 571 CB SER A 38 -3.456 -15.701 -2.308 1.00 0.00 C ATOM 572 OG SER A 38 -4.041 -16.311 -3.445 1.00 0.00 O ATOM 0 H SER A 38 -5.469 -15.729 -0.874 1.00 0.00 H new ATOM 0 HA SER A 38 -3.441 -17.641 -1.390 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.945 -14.747 -2.111 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.406 -15.486 -2.506 1.00 0.00 H new ATOM 0 HG SER A 38 -3.955 -15.714 -4.217 1.00 0.00 H new ATOM 578 N GLY A 39 -2.826 -15.395 0.886 1.00 0.00 N ATOM 579 CA GLY A 39 -1.871 -14.992 1.901 1.00 0.00 C ATOM 580 C GLY A 39 -0.980 -13.857 1.442 1.00 0.00 C ATOM 581 O GLY A 39 0.152 -13.723 1.907 1.00 0.00 O ATOM 0 H GLY A 39 -3.749 -14.970 0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.408 -14.688 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.253 -15.847 2.173 1.00 0.00 H new ATOM 585 N LEU A 40 -1.487 -13.033 0.531 1.00 0.00 N ATOM 586 CA LEU A 40 -0.720 -11.902 0.021 1.00 0.00 C ATOM 587 C LEU A 40 -0.978 -10.655 0.868 1.00 0.00 C ATOM 588 O LEU A 40 -2.126 -10.327 1.164 1.00 0.00 O ATOM 589 CB LEU A 40 -1.064 -11.632 -1.452 1.00 0.00 C ATOM 590 CG LEU A 40 -2.490 -11.144 -1.729 1.00 0.00 C ATOM 591 CD1 LEU A 40 -2.623 -9.664 -1.411 1.00 0.00 C ATOM 592 CD2 LEU A 40 -2.876 -11.405 -3.179 1.00 0.00 C ATOM 0 H LEU A 40 -2.421 -13.126 0.132 1.00 0.00 H new ATOM 0 HA LEU A 40 0.339 -12.151 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.366 -10.889 -1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.899 -12.549 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.168 -11.701 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.643 -9.338 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.392 -9.496 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.930 -9.095 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.892 -11.051 -3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.188 -10.876 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.824 -12.475 -3.382 1.00 0.00 H new ATOM 604 N PRO A 41 0.087 -9.944 1.285 1.00 0.00 N ATOM 605 CA PRO A 41 -0.048 -8.737 2.106 1.00 0.00 C ATOM 606 C PRO A 41 -0.794 -7.627 1.380 1.00 0.00 C ATOM 607 O PRO A 41 -1.449 -7.858 0.354 1.00 0.00 O ATOM 608 CB PRO A 41 1.395 -8.301 2.378 1.00 0.00 C ATOM 609 CG PRO A 41 2.234 -9.488 2.064 1.00 0.00 C ATOM 610 CD PRO A 41 1.496 -10.259 1.006 1.00 0.00 C ATOM 0 HA PRO A 41 -0.621 -8.938 3.011 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.672 -7.449 1.756 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.523 -7.993 3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.219 -9.185 1.708 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.390 -10.100 2.953 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.788 -9.947 0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.691 -11.329 1.077 1.00 0.00 H new ATOM 618 N LEU A 42 -0.692 -6.413 1.911 1.00 0.00 N ATOM 619 CA LEU A 42 -1.365 -5.285 1.299 1.00 0.00 C ATOM 620 C LEU A 42 -0.536 -4.012 1.371 1.00 0.00 C ATOM 621 O LEU A 42 0.099 -3.720 2.382 1.00 0.00 O ATOM 622 CB LEU A 42 -2.729 -5.055 1.959 1.00 0.00 C ATOM 623 CG LEU A 42 -2.686 -4.406 3.342 1.00 0.00 C ATOM 624 CD1 LEU A 42 -4.077 -3.961 3.766 1.00 0.00 C ATOM 625 CD2 LEU A 42 -2.101 -5.367 4.361 1.00 0.00 C ATOM 0 H LEU A 42 -0.157 -6.192 2.751 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.505 -5.529 0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.331 -4.429 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.240 -6.014 2.042 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.045 -3.526 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.027 -3.501 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.462 -3.237 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.740 -4.825 3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.078 -4.889 5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.717 -6.265 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.088 -5.638 4.065 1.00 0.00 H new ATOM 637 N MET A 43 -0.576 -3.249 0.290 1.00 0.00 N ATOM 638 CA MET A 43 0.137 -1.982 0.215 1.00 0.00 C ATOM 639 C MET A 43 -0.836 -0.853 0.538 1.00 0.00 C ATOM 640 O MET A 43 -2.038 -0.985 0.318 1.00 0.00 O ATOM 641 CB MET A 43 0.754 -1.806 -1.182 1.00 0.00 C ATOM 642 CG MET A 43 1.065 -0.362 -1.565 1.00 0.00 C ATOM 643 SD MET A 43 2.727 -0.162 -2.231 1.00 0.00 S ATOM 644 CE MET A 43 3.702 -0.666 -0.817 1.00 0.00 C ATOM 0 H MET A 43 -1.098 -3.487 -0.553 1.00 0.00 H new ATOM 0 HA MET A 43 0.952 -1.965 0.939 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.675 -2.387 -1.233 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.071 -2.224 -1.921 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.339 -0.022 -2.303 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.950 0.275 -0.688 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.653 -1.076 -1.158 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.887 0.196 -0.177 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.161 -1.426 -0.254 1.00 0.00 H new ATOM 654 N VAL A 44 -0.325 0.244 1.073 1.00 0.00 N ATOM 655 CA VAL A 44 -1.175 1.369 1.429 1.00 0.00 C ATOM 656 C VAL A 44 -0.773 2.637 0.678 1.00 0.00 C ATOM 657 O VAL A 44 -0.242 3.580 1.263 1.00 0.00 O ATOM 658 CB VAL A 44 -1.144 1.632 2.945 1.00 0.00 C ATOM 659 CG1 VAL A 44 0.249 2.017 3.402 1.00 0.00 C ATOM 660 CG2 VAL A 44 -2.142 2.708 3.313 1.00 0.00 C ATOM 0 H VAL A 44 0.667 0.380 1.269 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.191 1.103 1.138 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.422 0.710 3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.242 2.197 4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.943 1.208 3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.564 2.923 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.108 2.883 4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.893 3.630 2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.144 2.387 3.029 1.00 0.00 H new ATOM 670 N ILE A 45 -1.042 2.654 -0.622 1.00 0.00 N ATOM 671 CA ILE A 45 -0.720 3.808 -1.451 1.00 0.00 C ATOM 672 C ILE A 45 -1.539 5.022 -1.024 1.00 0.00 C ATOM 673 O ILE A 45 -2.765 4.968 -0.984 1.00 0.00 O ATOM 674 CB ILE A 45 -0.981 3.510 -2.941 1.00 0.00 C ATOM 675 CG1 ILE A 45 -0.151 2.301 -3.390 1.00 0.00 C ATOM 676 CG2 ILE A 45 -0.673 4.734 -3.792 1.00 0.00 C ATOM 677 CD1 ILE A 45 0.018 2.186 -4.891 1.00 0.00 C ATOM 0 H ILE A 45 -1.482 1.883 -1.124 1.00 0.00 H new ATOM 0 HA ILE A 45 0.340 4.025 -1.317 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.036 3.268 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.835 2.360 -2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.624 1.392 -3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.863 4.505 -4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.309 5.563 -3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.373 5.012 -3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.617 1.305 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.961 2.094 -5.361 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.520 3.076 -5.270 1.00 0.00 H new ATOM 689 N ILE A 46 -0.861 6.116 -0.694 1.00 0.00 N ATOM 690 CA ILE A 46 -1.548 7.329 -0.263 1.00 0.00 C ATOM 691 C ILE A 46 -0.967 8.562 -0.948 1.00 0.00 C ATOM 692 O ILE A 46 0.216 8.596 -1.278 1.00 0.00 O ATOM 693 CB ILE A 46 -1.453 7.513 1.266 1.00 0.00 C ATOM 694 CG1 ILE A 46 -1.692 6.183 1.987 1.00 0.00 C ATOM 695 CG2 ILE A 46 -2.453 8.559 1.737 1.00 0.00 C ATOM 696 CD1 ILE A 46 -0.782 5.972 3.175 1.00 0.00 C ATOM 0 H ILE A 46 0.156 6.188 -0.716 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.595 7.219 -0.546 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.448 7.858 1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.729 6.140 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.551 5.365 1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.374 8.677 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.240 9.511 1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.463 8.239 1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.006 5.011 3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.257 5.983 2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.940 6.770 3.900 1.00 0.00 H new ATOM 708 N HIS A 47 -1.805 9.576 -1.160 1.00 0.00 N ATOM 709 CA HIS A 47 -1.348 10.807 -1.809 1.00 0.00 C ATOM 710 C HIS A 47 -1.965 12.043 -1.167 1.00 0.00 C ATOM 711 O HIS A 47 -3.136 12.343 -1.391 1.00 0.00 O ATOM 712 CB HIS A 47 -1.696 10.798 -3.298 1.00 0.00 C ATOM 713 CG HIS A 47 -1.401 9.504 -3.985 1.00 0.00 C ATOM 714 ND1 HIS A 47 -0.378 9.354 -4.894 1.00 0.00 N ATOM 715 CD2 HIS A 47 -2.015 8.302 -3.909 1.00 0.00 C ATOM 716 CE1 HIS A 47 -0.377 8.116 -5.351 1.00 0.00 C ATOM 717 NE2 HIS A 47 -1.362 7.454 -4.770 1.00 0.00 N ATOM 0 H HIS A 47 -2.790 9.572 -0.897 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.266 10.847 -1.684 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.756 11.025 -3.414 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.143 11.595 -3.794 1.00 0.00 H new ATOM 0 HD1 HIS A 47 0.277 10.085 -5.171 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.862 8.054 -3.287 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.313 7.712 -6.077 1.00 0.00 H new ATOM 726 N LYS A 48 -1.177 12.768 -0.377 1.00 0.00 N ATOM 727 CA LYS A 48 -1.690 13.979 0.273 1.00 0.00 C ATOM 728 C LYS A 48 -0.848 15.215 -0.047 1.00 0.00 C ATOM 729 O LYS A 48 0.346 15.118 -0.327 1.00 0.00 O ATOM 730 CB LYS A 48 -1.770 13.788 1.788 1.00 0.00 C ATOM 731 CG LYS A 48 -3.193 13.570 2.291 1.00 0.00 C ATOM 732 CD LYS A 48 -3.245 13.298 3.789 1.00 0.00 C ATOM 733 CE LYS A 48 -2.389 14.275 4.581 1.00 0.00 C ATOM 734 NZ LYS A 48 -2.911 15.668 4.494 1.00 0.00 N ATOM 0 H LYS A 48 -0.202 12.548 -0.172 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.690 14.147 -0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.156 12.934 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.347 14.663 2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.795 14.450 2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.640 12.732 1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.278 13.361 4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.906 12.280 3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.355 13.964 5.625 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.366 14.247 4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.300 16.303 5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.919 15.974 3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.878 15.701 4.874 1.00 0.00 H new ATOM 748 N SER A 49 -1.496 16.379 0.012 1.00 0.00 N ATOM 749 CA SER A 49 -0.842 17.660 -0.251 1.00 0.00 C ATOM 750 C SER A 49 -0.062 17.639 -1.564 1.00 0.00 C ATOM 751 O SER A 49 -0.230 16.736 -2.383 1.00 0.00 O ATOM 752 CB SER A 49 0.091 18.018 0.907 1.00 0.00 C ATOM 753 OG SER A 49 -0.357 19.180 1.583 1.00 0.00 O ATOM 0 H SER A 49 -2.486 16.460 0.243 1.00 0.00 H new ATOM 0 HA SER A 49 -1.620 18.418 -0.340 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.144 17.184 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.100 18.180 0.528 1.00 0.00 H new ATOM 0 HG SER A 49 0.255 19.386 2.320 1.00 0.00 H new ATOM 759 N TRP A 50 0.793 18.649 -1.755 1.00 0.00 N ATOM 760 CA TRP A 50 1.608 18.758 -2.965 1.00 0.00 C ATOM 761 C TRP A 50 2.194 17.402 -3.342 1.00 0.00 C ATOM 762 O TRP A 50 3.188 16.961 -2.768 1.00 0.00 O ATOM 763 CB TRP A 50 2.738 19.772 -2.764 1.00 0.00 C ATOM 764 CG TRP A 50 2.299 21.029 -2.074 1.00 0.00 C ATOM 765 CD1 TRP A 50 1.647 22.089 -2.635 1.00 0.00 C ATOM 766 CD2 TRP A 50 2.482 21.355 -0.690 1.00 0.00 C ATOM 767 NE1 TRP A 50 1.414 23.055 -1.684 1.00 0.00 N ATOM 768 CE2 TRP A 50 1.915 22.627 -0.484 1.00 0.00 C ATOM 769 CE3 TRP A 50 3.068 20.694 0.392 1.00 0.00 C ATOM 770 CZ2 TRP A 50 1.920 23.251 0.762 1.00 0.00 C ATOM 771 CZ3 TRP A 50 3.071 21.314 1.628 1.00 0.00 C ATOM 772 CH2 TRP A 50 2.500 22.581 1.803 1.00 0.00 C ATOM 0 H TRP A 50 0.937 19.404 -1.084 1.00 0.00 H new ATOM 0 HA TRP A 50 0.964 19.102 -3.775 1.00 0.00 H new ATOM 0 HB2 TRP A 50 3.534 19.307 -2.182 1.00 0.00 H new ATOM 0 HB3 TRP A 50 3.162 20.029 -3.735 1.00 0.00 H new ATOM 0 HD1 TRP A 50 1.357 22.159 -3.673 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.944 23.946 -1.846 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.510 19.717 0.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.482 24.228 0.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.521 20.813 2.472 1.00 0.00 H new ATOM 0 HH2 TRP A 50 2.518 23.038 2.781 1.00 0.00 H new ATOM 783 N CYS A 51 1.553 16.736 -4.294 1.00 0.00 N ATOM 784 CA CYS A 51 1.994 15.419 -4.730 1.00 0.00 C ATOM 785 C CYS A 51 2.109 15.349 -6.256 1.00 0.00 C ATOM 786 O CYS A 51 1.219 15.800 -6.976 1.00 0.00 O ATOM 787 CB CYS A 51 1.012 14.360 -4.196 1.00 0.00 C ATOM 788 SG CYS A 51 0.685 12.948 -5.308 1.00 0.00 S ATOM 0 H CYS A 51 0.727 17.087 -4.778 1.00 0.00 H new ATOM 0 HA CYS A 51 2.988 15.222 -4.328 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.400 13.974 -3.254 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.064 14.850 -3.973 1.00 0.00 H new ATOM 793 N GLY A 52 3.203 14.762 -6.740 1.00 0.00 N ATOM 794 CA GLY A 52 3.403 14.620 -8.174 1.00 0.00 C ATOM 795 C GLY A 52 3.164 13.197 -8.621 1.00 0.00 C ATOM 796 O GLY A 52 2.756 12.948 -9.754 1.00 0.00 O ATOM 0 H GLY A 52 3.954 14.382 -6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.727 15.289 -8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.418 14.920 -8.434 1.00 0.00 H new ATOM 800 N ALA A 53 3.397 12.256 -7.712 1.00 0.00 N ATOM 801 CA ALA A 53 3.178 10.850 -8.004 1.00 0.00 C ATOM 802 C ALA A 53 1.735 10.611 -8.395 1.00 0.00 C ATOM 803 O ALA A 53 1.398 9.562 -8.939 1.00 0.00 O ATOM 804 CB ALA A 53 3.559 9.989 -6.811 1.00 0.00 C ATOM 0 H ALA A 53 3.737 12.444 -6.769 1.00 0.00 H new ATOM 0 HA ALA A 53 3.814 10.569 -8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.388 8.939 -7.050 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.612 10.140 -6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.951 10.269 -5.951 1.00 0.00 H new ATOM 810 N CYS A 54 0.888 11.596 -8.122 1.00 0.00 N ATOM 811 CA CYS A 54 -0.513 11.492 -8.458 1.00 0.00 C ATOM 812 C CYS A 54 -0.780 12.069 -9.842 1.00 0.00 C ATOM 813 O CYS A 54 -1.543 11.505 -10.626 1.00 0.00 O ATOM 814 CB CYS A 54 -1.394 12.177 -7.401 1.00 0.00 C ATOM 815 SG CYS A 54 -0.671 13.672 -6.641 1.00 0.00 S ATOM 0 H CYS A 54 1.153 12.471 -7.670 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.774 10.434 -8.472 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.345 12.446 -7.862 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.614 11.458 -6.612 1.00 0.00 H new ATOM 820 N LYS A 55 -0.136 13.187 -10.149 1.00 0.00 N ATOM 821 CA LYS A 55 -0.307 13.816 -11.449 1.00 0.00 C ATOM 822 C LYS A 55 0.381 12.999 -12.540 1.00 0.00 C ATOM 823 O LYS A 55 -0.060 12.992 -13.689 1.00 0.00 O ATOM 824 CB LYS A 55 0.224 15.250 -11.433 1.00 0.00 C ATOM 825 CG LYS A 55 1.736 15.344 -11.374 1.00 0.00 C ATOM 826 CD LYS A 55 2.194 16.785 -11.235 1.00 0.00 C ATOM 827 CE LYS A 55 2.390 17.452 -12.589 1.00 0.00 C ATOM 828 NZ LYS A 55 1.331 17.075 -13.567 1.00 0.00 N ATOM 0 H LYS A 55 0.504 13.673 -9.521 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.374 13.851 -11.670 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.128 15.767 -12.325 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.197 15.773 -10.574 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.106 14.760 -10.532 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.165 14.909 -12.277 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.459 17.345 -10.657 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.129 16.816 -10.676 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.393 18.534 -12.461 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.365 17.176 -12.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.489 17.580 -14.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.365 16.050 -13.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.398 17.331 -13.185 1.00 0.00 H new ATOM 842 N ALA A 56 1.463 12.307 -12.176 1.00 0.00 N ATOM 843 CA ALA A 56 2.192 11.492 -13.143 1.00 0.00 C ATOM 844 C ALA A 56 1.514 10.140 -13.363 1.00 0.00 C ATOM 845 O ALA A 56 1.449 9.651 -14.489 1.00 0.00 O ATOM 846 CB ALA A 56 3.631 11.297 -12.688 1.00 0.00 C ATOM 0 H ALA A 56 1.848 12.296 -11.231 1.00 0.00 H new ATOM 0 HA ALA A 56 2.189 12.022 -14.096 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.164 10.687 -13.418 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.119 12.267 -12.600 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.642 10.796 -11.720 1.00 0.00 H new ATOM 852 N LEU A 57 1.026 9.534 -12.287 1.00 0.00 N ATOM 853 CA LEU A 57 0.376 8.230 -12.384 1.00 0.00 C ATOM 854 C LEU A 57 -0.853 8.265 -13.286 1.00 0.00 C ATOM 855 O LEU A 57 -1.204 7.265 -13.906 1.00 0.00 O ATOM 856 CB LEU A 57 -0.021 7.712 -11.004 1.00 0.00 C ATOM 857 CG LEU A 57 -0.857 8.667 -10.150 1.00 0.00 C ATOM 858 CD1 LEU A 57 -2.264 8.799 -10.706 1.00 0.00 C ATOM 859 CD2 LEU A 57 -0.899 8.176 -8.708 1.00 0.00 C ATOM 0 H LEU A 57 1.067 9.920 -11.344 1.00 0.00 H new ATOM 0 HA LEU A 57 1.105 7.553 -12.829 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.580 6.785 -11.132 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.887 7.464 -10.455 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.390 9.652 -10.175 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.839 9.483 -10.082 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.218 9.187 -11.723 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.746 7.821 -10.712 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.496 8.862 -8.107 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.345 7.182 -8.675 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.114 8.132 -8.309 1.00 0.00 H new ATOM 871 N LYS A 58 -1.528 9.401 -13.350 1.00 0.00 N ATOM 872 CA LYS A 58 -2.727 9.509 -14.173 1.00 0.00 C ATOM 873 C LYS A 58 -2.500 8.961 -15.592 1.00 0.00 C ATOM 874 O LYS A 58 -3.077 7.937 -15.970 1.00 0.00 O ATOM 875 CB LYS A 58 -3.208 10.961 -14.229 1.00 0.00 C ATOM 876 CG LYS A 58 -4.420 11.235 -13.353 1.00 0.00 C ATOM 877 CD LYS A 58 -4.148 12.340 -12.344 1.00 0.00 C ATOM 878 CE LYS A 58 -4.168 13.711 -13.000 1.00 0.00 C ATOM 879 NZ LYS A 58 -4.106 14.808 -11.998 1.00 0.00 N ATOM 0 H LYS A 58 -1.273 10.253 -12.850 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.500 8.898 -13.707 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.393 11.617 -13.923 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.451 11.215 -15.261 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.266 11.515 -13.980 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.702 10.323 -12.827 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.896 12.303 -11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.179 12.174 -11.874 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.325 13.798 -13.685 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.075 13.815 -13.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.901 15.707 -12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.019 14.880 -11.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.355 14.606 -11.308 1.00 0.00 H new ATOM 893 N PRO A 59 -1.661 9.635 -16.402 1.00 0.00 N ATOM 894 CA PRO A 59 -1.386 9.222 -17.786 1.00 0.00 C ATOM 895 C PRO A 59 -0.429 8.038 -17.914 1.00 0.00 C ATOM 896 O PRO A 59 -0.443 7.337 -18.927 1.00 0.00 O ATOM 897 CB PRO A 59 -0.755 10.470 -18.393 1.00 0.00 C ATOM 898 CG PRO A 59 -0.068 11.128 -17.248 1.00 0.00 C ATOM 899 CD PRO A 59 -0.926 10.861 -16.041 1.00 0.00 C ATOM 0 HA PRO A 59 -2.296 8.876 -18.276 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.052 10.215 -19.186 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.509 11.123 -18.833 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.935 10.724 -17.111 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.040 12.199 -17.421 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.323 10.718 -15.144 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.604 11.690 -15.840 1.00 0.00 H new ATOM 907 N LYS A 60 0.409 7.815 -16.909 1.00 0.00 N ATOM 908 CA LYS A 60 1.364 6.710 -16.966 1.00 0.00 C ATOM 909 C LYS A 60 0.824 5.475 -16.259 1.00 0.00 C ATOM 910 O LYS A 60 0.837 4.381 -16.822 1.00 0.00 O ATOM 911 CB LYS A 60 2.708 7.116 -16.362 1.00 0.00 C ATOM 912 CG LYS A 60 2.702 7.130 -14.848 1.00 0.00 C ATOM 913 CD LYS A 60 3.744 8.090 -14.289 1.00 0.00 C ATOM 914 CE LYS A 60 5.121 7.836 -14.883 1.00 0.00 C ATOM 915 NZ LYS A 60 5.460 8.829 -15.940 1.00 0.00 N ATOM 0 H LYS A 60 0.449 8.373 -16.056 1.00 0.00 H new ATOM 0 HA LYS A 60 1.515 6.464 -18.017 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.478 6.427 -16.709 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.979 8.107 -16.727 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.713 7.418 -14.491 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.896 6.125 -14.474 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.442 9.116 -14.497 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.791 7.985 -13.205 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.871 7.876 -14.093 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.155 6.831 -15.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.773 8.330 -16.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.620 9.402 -16.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.223 9.449 -15.602 1.00 0.00 H new ATOM 929 N PHE A 61 0.337 5.645 -15.032 1.00 0.00 N ATOM 930 CA PHE A 61 -0.209 4.524 -14.297 1.00 0.00 C ATOM 931 C PHE A 61 -1.455 4.027 -14.990 1.00 0.00 C ATOM 932 O PHE A 61 -1.855 2.883 -14.802 1.00 0.00 O ATOM 933 CB PHE A 61 -0.497 4.874 -12.843 1.00 0.00 C ATOM 934 CG PHE A 61 -0.837 3.662 -12.021 1.00 0.00 C ATOM 935 CD1 PHE A 61 -2.128 3.162 -12.007 1.00 0.00 C ATOM 936 CD2 PHE A 61 0.134 3.016 -11.272 1.00 0.00 C ATOM 937 CE1 PHE A 61 -2.447 2.045 -11.260 1.00 0.00 C ATOM 938 CE2 PHE A 61 -0.179 1.897 -10.522 1.00 0.00 C ATOM 939 CZ PHE A 61 -1.471 1.412 -10.516 1.00 0.00 C ATOM 0 H PHE A 61 0.312 6.537 -14.538 1.00 0.00 H new ATOM 0 HA PHE A 61 0.539 3.731 -14.283 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.372 5.370 -12.412 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.323 5.583 -12.799 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.896 3.652 -12.588 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.147 3.391 -11.274 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.459 1.667 -11.258 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.587 1.403 -9.942 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.718 0.539 -9.930 1.00 0.00 H new ATOM 949 N ALA A 62 -2.035 4.863 -15.860 1.00 0.00 N ATOM 950 CA ALA A 62 -3.180 4.428 -16.632 1.00 0.00 C ATOM 951 C ALA A 62 -2.774 3.158 -17.390 1.00 0.00 C ATOM 952 O ALA A 62 -3.606 2.340 -17.777 1.00 0.00 O ATOM 953 CB ALA A 62 -3.627 5.524 -17.590 1.00 0.00 C ATOM 0 H ALA A 62 -1.731 5.821 -16.037 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.025 4.215 -15.977 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.489 5.179 -18.162 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.901 6.414 -17.023 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.812 5.765 -18.272 1.00 0.00 H new ATOM 959 N GLU A 63 -1.450 3.014 -17.542 1.00 0.00 N ATOM 960 CA GLU A 63 -0.825 1.869 -18.188 1.00 0.00 C ATOM 961 C GLU A 63 -1.009 0.618 -17.342 1.00 0.00 C ATOM 962 O GLU A 63 -0.818 -0.507 -17.813 1.00 0.00 O ATOM 963 CB GLU A 63 0.666 2.165 -18.381 1.00 0.00 C ATOM 964 CG GLU A 63 1.364 1.208 -19.334 1.00 0.00 C ATOM 965 CD GLU A 63 1.886 1.897 -20.579 1.00 0.00 C ATOM 966 OE1 GLU A 63 1.066 2.455 -21.337 1.00 0.00 O ATOM 967 OE2 GLU A 63 3.116 1.879 -20.795 1.00 0.00 O ATOM 0 H GLU A 63 -0.778 3.707 -17.211 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.294 1.694 -19.157 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.779 3.182 -18.755 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.163 2.125 -17.412 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.193 0.727 -18.816 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.669 0.420 -19.624 1.00 0.00 H new ATOM 974 N SER A 64 -1.404 0.822 -16.092 1.00 0.00 N ATOM 975 CA SER A 64 -1.643 -0.268 -15.170 1.00 0.00 C ATOM 976 C SER A 64 -2.733 -1.201 -15.685 1.00 0.00 C ATOM 977 O SER A 64 -3.135 -2.124 -14.984 1.00 0.00 O ATOM 978 CB SER A 64 -2.041 0.285 -13.811 1.00 0.00 C ATOM 979 OG SER A 64 -0.911 0.770 -13.107 1.00 0.00 O ATOM 0 H SER A 64 -1.566 1.747 -15.695 1.00 0.00 H new ATOM 0 HA SER A 64 -0.721 -0.842 -15.078 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.766 1.089 -13.940 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.530 -0.494 -13.227 1.00 0.00 H new ATOM 0 HG SER A 64 -1.147 1.600 -12.642 1.00 0.00 H new ATOM 985 N THR A 65 -3.201 -0.975 -16.914 1.00 0.00 N ATOM 986 CA THR A 65 -4.220 -1.834 -17.500 1.00 0.00 C ATOM 987 C THR A 65 -3.827 -3.283 -17.279 1.00 0.00 C ATOM 988 O THR A 65 -4.663 -4.132 -16.969 1.00 0.00 O ATOM 989 CB THR A 65 -4.362 -1.551 -18.995 1.00 0.00 C ATOM 990 OG1 THR A 65 -3.092 -1.341 -19.587 1.00 0.00 O ATOM 991 CG2 THR A 65 -5.213 -0.338 -19.293 1.00 0.00 C ATOM 0 H THR A 65 -2.891 -0.211 -17.514 1.00 0.00 H new ATOM 0 HA THR A 65 -5.180 -1.635 -17.023 1.00 0.00 H new ATOM 0 HB THR A 65 -4.852 -2.431 -19.412 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.203 -1.163 -20.544 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.274 -0.192 -20.372 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.215 -0.488 -18.890 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.765 0.543 -18.833 1.00 0.00 H new ATOM 999 N GLU A 66 -2.531 -3.542 -17.401 1.00 0.00 N ATOM 1000 CA GLU A 66 -2.001 -4.874 -17.174 1.00 0.00 C ATOM 1001 C GLU A 66 -1.857 -5.103 -15.682 1.00 0.00 C ATOM 1002 O GLU A 66 -2.001 -6.226 -15.200 1.00 0.00 O ATOM 1003 CB GLU A 66 -0.661 -5.059 -17.884 1.00 0.00 C ATOM 1004 CG GLU A 66 0.443 -4.184 -17.322 1.00 0.00 C ATOM 1005 CD GLU A 66 0.888 -3.107 -18.293 1.00 0.00 C ATOM 1006 OE1 GLU A 66 0.809 -3.343 -19.517 1.00 0.00 O ATOM 1007 OE2 GLU A 66 1.316 -2.030 -17.828 1.00 0.00 O ATOM 0 H GLU A 66 -1.831 -2.846 -17.656 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.692 -5.609 -17.587 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.360 -6.104 -17.810 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.786 -4.838 -18.944 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.097 -3.716 -16.401 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.298 -4.808 -17.061 1.00 0.00 H new ATOM 1014 N ILE A 67 -1.614 -4.024 -14.943 1.00 0.00 N ATOM 1015 CA ILE A 67 -1.505 -4.126 -13.502 1.00 0.00 C ATOM 1016 C ILE A 67 -2.888 -4.368 -12.899 1.00 0.00 C ATOM 1017 O ILE A 67 -3.012 -4.756 -11.739 1.00 0.00 O ATOM 1018 CB ILE A 67 -0.879 -2.864 -12.877 1.00 0.00 C ATOM 1019 CG1 ILE A 67 0.485 -2.581 -13.514 1.00 0.00 C ATOM 1020 CG2 ILE A 67 -0.742 -3.026 -11.370 1.00 0.00 C ATOM 1021 CD1 ILE A 67 1.170 -1.355 -12.951 1.00 0.00 C ATOM 0 H ILE A 67 -1.491 -3.083 -15.318 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.846 -4.965 -13.279 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.536 -2.016 -13.070 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.131 -3.447 -13.370 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.356 -2.454 -14.589 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.298 -2.125 -10.946 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.726 -3.187 -10.930 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.103 -3.882 -11.153 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.130 -1.215 -13.447 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.543 -0.479 -13.118 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.331 -1.487 -11.881 1.00 0.00 H new ATOM 1033 N SER A 68 -3.928 -4.146 -13.710 1.00 0.00 N ATOM 1034 CA SER A 68 -5.299 -4.350 -13.265 1.00 0.00 C ATOM 1035 C SER A 68 -5.560 -5.833 -13.029 1.00 0.00 C ATOM 1036 O SER A 68 -6.420 -6.204 -12.230 1.00 0.00 O ATOM 1037 CB SER A 68 -6.284 -3.799 -14.300 1.00 0.00 C ATOM 1038 OG SER A 68 -7.164 -2.856 -13.714 1.00 0.00 O ATOM 0 H SER A 68 -3.841 -3.826 -14.675 1.00 0.00 H new ATOM 0 HA SER A 68 -5.443 -3.813 -12.327 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.734 -3.330 -15.116 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.859 -4.618 -14.732 1.00 0.00 H new ATOM 0 HG SER A 68 -8.088 -3.167 -13.811 1.00 0.00 H new ATOM 1044 N GLU A 69 -4.800 -6.679 -13.722 1.00 0.00 N ATOM 1045 CA GLU A 69 -4.940 -8.122 -13.575 1.00 0.00 C ATOM 1046 C GLU A 69 -3.873 -8.658 -12.631 1.00 0.00 C ATOM 1047 O GLU A 69 -4.131 -9.564 -11.837 1.00 0.00 O ATOM 1048 CB GLU A 69 -4.855 -8.835 -14.930 1.00 0.00 C ATOM 1049 CG GLU A 69 -3.961 -8.140 -15.944 1.00 0.00 C ATOM 1050 CD GLU A 69 -3.993 -8.808 -17.305 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -3.321 -9.849 -17.470 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -4.687 -8.290 -18.203 1.00 0.00 O ATOM 0 H GLU A 69 -4.084 -6.389 -14.388 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.925 -8.322 -13.154 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.487 -9.849 -14.772 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.859 -8.922 -15.346 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.273 -7.101 -16.046 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.936 -8.130 -15.573 1.00 0.00 H new ATOM 1059 N LEU A 70 -2.676 -8.083 -12.712 1.00 0.00 N ATOM 1060 CA LEU A 70 -1.570 -8.496 -11.851 1.00 0.00 C ATOM 1061 C LEU A 70 -1.982 -8.442 -10.382 1.00 0.00 C ATOM 1062 O LEU A 70 -1.572 -9.274 -9.580 1.00 0.00 O ATOM 1063 CB LEU A 70 -0.355 -7.593 -12.072 1.00 0.00 C ATOM 1064 CG LEU A 70 0.804 -8.238 -12.836 1.00 0.00 C ATOM 1065 CD1 LEU A 70 0.921 -7.636 -14.228 1.00 0.00 C ATOM 1066 CD2 LEU A 70 2.111 -8.076 -12.068 1.00 0.00 C ATOM 0 H LEU A 70 -2.447 -7.332 -13.363 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.307 -9.522 -12.109 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.677 -6.704 -12.614 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.011 -7.259 -11.101 1.00 0.00 H new ATOM 0 HG LEU A 70 0.600 -9.304 -12.937 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.750 -8.105 -14.759 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.005 -7.807 -14.777 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.102 -6.564 -14.147 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.922 -8.541 -12.628 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.325 -7.016 -11.933 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.022 -8.555 -11.093 1.00 0.00 H new ATOM 1078 N SER A 71 -2.797 -7.449 -10.043 1.00 0.00 N ATOM 1079 CA SER A 71 -3.268 -7.264 -8.670 1.00 0.00 C ATOM 1080 C SER A 71 -3.707 -8.573 -8.019 1.00 0.00 C ATOM 1081 O SER A 71 -3.761 -8.673 -6.795 1.00 0.00 O ATOM 1082 CB SER A 71 -4.432 -6.289 -8.639 1.00 0.00 C ATOM 1083 OG SER A 71 -4.330 -5.409 -7.533 1.00 0.00 O ATOM 0 H SER A 71 -3.148 -6.755 -10.703 1.00 0.00 H new ATOM 0 HA SER A 71 -2.424 -6.870 -8.104 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.454 -5.714 -9.565 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.371 -6.840 -8.584 1.00 0.00 H new ATOM 0 HG SER A 71 -3.943 -5.886 -6.770 1.00 0.00 H new ATOM 1089 N HIS A 72 -4.002 -9.583 -8.827 1.00 0.00 N ATOM 1090 CA HIS A 72 -4.408 -10.873 -8.294 1.00 0.00 C ATOM 1091 C HIS A 72 -3.309 -11.424 -7.393 1.00 0.00 C ATOM 1092 O HIS A 72 -3.520 -12.378 -6.643 1.00 0.00 O ATOM 1093 CB HIS A 72 -4.717 -11.857 -9.431 1.00 0.00 C ATOM 1094 CG HIS A 72 -3.499 -12.427 -10.093 1.00 0.00 C ATOM 1095 ND1 HIS A 72 -3.181 -13.770 -10.055 1.00 0.00 N ATOM 1096 CD2 HIS A 72 -2.519 -11.831 -10.814 1.00 0.00 C ATOM 1097 CE1 HIS A 72 -2.059 -13.973 -10.723 1.00 0.00 C ATOM 1098 NE2 HIS A 72 -1.638 -12.814 -11.193 1.00 0.00 N ATOM 0 H HIS A 72 -3.968 -9.533 -9.845 1.00 0.00 H new ATOM 0 HA HIS A 72 -5.317 -10.742 -7.707 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -5.319 -12.675 -9.036 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -5.322 -11.350 -10.182 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.444 -10.779 -11.047 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.570 -14.926 -10.861 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.794 -12.671 -11.748 1.00 0.00 H new ATOM 1107 N ASN A 73 -2.125 -10.820 -7.492 1.00 0.00 N ATOM 1108 CA ASN A 73 -0.982 -11.247 -6.708 1.00 0.00 C ATOM 1109 C ASN A 73 -0.866 -10.472 -5.390 1.00 0.00 C ATOM 1110 O ASN A 73 -0.382 -11.004 -4.393 1.00 0.00 O ATOM 1111 CB ASN A 73 0.292 -11.073 -7.538 1.00 0.00 C ATOM 1112 CG ASN A 73 0.548 -9.626 -7.906 1.00 0.00 C ATOM 1113 OD1 ASN A 73 0.586 -8.752 -7.042 1.00 0.00 O ATOM 1114 ND2 ASN A 73 0.732 -9.360 -9.195 1.00 0.00 N ATOM 0 H ASN A 73 -1.939 -10.031 -8.112 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.120 -12.297 -6.451 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.143 -11.459 -6.977 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.214 -11.668 -8.448 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.912 -8.403 -9.498 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.693 -10.113 -9.882 1.00 0.00 H new ATOM 1121 N PHE A 74 -1.306 -9.214 -5.394 1.00 0.00 N ATOM 1122 CA PHE A 74 -1.239 -8.374 -4.202 1.00 0.00 C ATOM 1123 C PHE A 74 -2.468 -7.470 -4.097 1.00 0.00 C ATOM 1124 O PHE A 74 -3.089 -7.142 -5.107 1.00 0.00 O ATOM 1125 CB PHE A 74 0.023 -7.514 -4.252 1.00 0.00 C ATOM 1126 CG PHE A 74 1.123 -8.000 -3.354 1.00 0.00 C ATOM 1127 CD1 PHE A 74 1.730 -9.222 -3.584 1.00 0.00 C ATOM 1128 CD2 PHE A 74 1.550 -7.234 -2.283 1.00 0.00 C ATOM 1129 CE1 PHE A 74 2.742 -9.673 -2.762 1.00 0.00 C ATOM 1130 CE2 PHE A 74 2.562 -7.681 -1.455 1.00 0.00 C ATOM 1131 CZ PHE A 74 3.159 -8.903 -1.697 1.00 0.00 C ATOM 0 H PHE A 74 -1.712 -8.756 -6.210 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.213 -9.023 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.391 -7.484 -5.278 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.234 -6.492 -3.975 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.408 -9.830 -4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.087 -6.277 -2.093 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.207 -10.629 -2.953 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.885 -7.076 -0.621 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.951 -9.255 -1.053 1.00 0.00 H new ATOM 1141 N VAL A 75 -2.811 -7.056 -2.878 1.00 0.00 N ATOM 1142 CA VAL A 75 -3.965 -6.181 -2.680 1.00 0.00 C ATOM 1143 C VAL A 75 -3.578 -4.965 -1.846 1.00 0.00 C ATOM 1144 O VAL A 75 -3.123 -5.108 -0.718 1.00 0.00 O ATOM 1145 CB VAL A 75 -5.127 -6.921 -1.991 1.00 0.00 C ATOM 1146 CG1 VAL A 75 -4.698 -7.439 -0.626 1.00 0.00 C ATOM 1147 CG2 VAL A 75 -6.340 -6.014 -1.866 1.00 0.00 C ATOM 0 H VAL A 75 -2.314 -7.308 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.297 -5.858 -3.667 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.403 -7.776 -2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.533 -7.959 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.862 -8.128 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.392 -6.602 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.150 -6.555 -1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.079 -5.137 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.662 -5.698 -2.858 1.00 0.00 H new ATOM 1157 N MET A 76 -3.734 -3.765 -2.401 1.00 0.00 N ATOM 1158 CA MET A 76 -3.364 -2.559 -1.677 1.00 0.00 C ATOM 1159 C MET A 76 -4.570 -1.660 -1.398 1.00 0.00 C ATOM 1160 O MET A 76 -5.725 -2.060 -1.591 1.00 0.00 O ATOM 1161 CB MET A 76 -2.285 -1.785 -2.436 1.00 0.00 C ATOM 1162 CG MET A 76 -1.639 -2.563 -3.586 1.00 0.00 C ATOM 1163 SD MET A 76 -0.861 -4.107 -3.064 1.00 0.00 S ATOM 1164 CE MET A 76 0.681 -4.036 -3.973 1.00 0.00 C ATOM 0 H MET A 76 -4.109 -3.606 -3.336 1.00 0.00 H new ATOM 0 HA MET A 76 -2.964 -2.873 -0.713 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.724 -0.870 -2.834 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.507 -1.486 -1.733 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.398 -2.784 -4.336 1.00 0.00 H new ATOM 0 HG3 MET A 76 -0.890 -1.932 -4.066 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.123 -5.031 -4.017 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.491 -3.678 -4.985 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.369 -3.356 -3.471 1.00 0.00 H new ATOM 1174 N VAL A 77 -4.290 -0.449 -0.917 1.00 0.00 N ATOM 1175 CA VAL A 77 -5.339 0.503 -0.577 1.00 0.00 C ATOM 1176 C VAL A 77 -4.911 1.948 -0.841 1.00 0.00 C ATOM 1177 O VAL A 77 -3.782 2.337 -0.544 1.00 0.00 O ATOM 1178 CB VAL A 77 -5.731 0.345 0.909 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -6.342 1.621 1.475 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -6.681 -0.827 1.069 1.00 0.00 C ATOM 0 H VAL A 77 -3.343 -0.107 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.196 0.286 -1.215 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.823 0.149 1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.603 1.466 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.621 2.435 1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.239 1.876 0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.954 -0.933 2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.579 -0.651 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.194 -1.740 0.726 1.00 0.00 H new ATOM 1190 N ASN A 78 -5.830 2.738 -1.397 1.00 0.00 N ATOM 1191 CA ASN A 78 -5.561 4.139 -1.693 1.00 0.00 C ATOM 1192 C ASN A 78 -6.414 5.065 -0.837 1.00 0.00 C ATOM 1193 O ASN A 78 -7.637 5.103 -0.979 1.00 0.00 O ATOM 1194 CB ASN A 78 -5.828 4.436 -3.166 1.00 0.00 C ATOM 1195 CG ASN A 78 -4.904 5.503 -3.715 1.00 0.00 C ATOM 1196 OD1 ASN A 78 -5.339 6.419 -4.411 1.00 0.00 O ATOM 1197 ND2 ASN A 78 -3.621 5.393 -3.400 1.00 0.00 N ATOM 0 H ASN A 78 -6.768 2.428 -1.651 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.511 4.320 -1.465 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -5.708 3.521 -3.746 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.863 4.757 -3.288 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -2.952 6.085 -3.738 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.303 4.617 -2.820 1.00 0.00 H new ATOM 1204 N LEU A 79 -5.765 5.822 0.040 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.479 6.757 0.901 1.00 0.00 C ATOM 1206 C LEU A 79 -5.890 8.167 0.802 1.00 0.00 C ATOM 1207 O LEU A 79 -4.891 8.400 0.109 1.00 0.00 O ATOM 1208 CB LEU A 79 -6.462 6.273 2.352 1.00 0.00 C ATOM 1209 CG LEU A 79 -5.103 6.362 3.048 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -5.124 7.422 4.139 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.703 5.010 3.620 1.00 0.00 C ATOM 0 H LEU A 79 -4.754 5.807 0.173 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.513 6.800 0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.184 6.857 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.799 5.237 2.377 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.359 6.653 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.147 7.468 4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.358 8.392 3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.882 7.167 4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.733 5.095 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.450 4.686 4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.639 4.279 2.814 1.00 0.00 H new ATOM 1223 N GLU A 80 -6.531 9.105 1.495 1.00 0.00 N ATOM 1224 CA GLU A 80 -6.100 10.498 1.494 1.00 0.00 C ATOM 1225 C GLU A 80 -6.566 11.204 2.764 1.00 0.00 C ATOM 1226 O GLU A 80 -7.042 10.562 3.701 1.00 0.00 O ATOM 1227 CB GLU A 80 -6.650 11.216 0.258 1.00 0.00 C ATOM 1228 CG GLU A 80 -5.621 11.396 -0.847 1.00 0.00 C ATOM 1229 CD GLU A 80 -6.162 11.025 -2.214 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -6.730 11.910 -2.888 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -6.017 9.850 -2.611 1.00 0.00 O ATOM 0 H GLU A 80 -7.355 8.923 2.067 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.011 10.525 1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.497 10.652 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.028 12.194 0.554 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.287 12.433 -0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.747 10.783 -0.628 1.00 0.00 H new ATOM 1238 N ASP A 81 -6.425 12.528 2.791 1.00 0.00 N ATOM 1239 CA ASP A 81 -6.831 13.325 3.948 1.00 0.00 C ATOM 1240 C ASP A 81 -8.201 12.897 4.467 1.00 0.00 C ATOM 1241 O ASP A 81 -8.484 13.003 5.659 1.00 0.00 O ATOM 1242 CB ASP A 81 -6.856 14.810 3.583 1.00 0.00 C ATOM 1243 CG ASP A 81 -7.757 15.099 2.399 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -8.991 15.141 2.589 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -7.230 15.283 1.282 1.00 0.00 O ATOM 0 H ASP A 81 -6.032 13.073 2.023 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.101 13.158 4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.195 15.387 4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.843 15.142 3.355 1.00 0.00 H new ATOM 1250 N GLU A 82 -9.048 12.408 3.565 1.00 0.00 N ATOM 1251 CA GLU A 82 -10.386 11.961 3.937 1.00 0.00 C ATOM 1252 C GLU A 82 -10.313 10.879 5.014 1.00 0.00 C ATOM 1253 O GLU A 82 -11.196 10.774 5.864 1.00 0.00 O ATOM 1254 CB GLU A 82 -11.129 11.430 2.709 1.00 0.00 C ATOM 1255 CG GLU A 82 -12.293 12.309 2.277 1.00 0.00 C ATOM 1256 CD GLU A 82 -11.901 13.309 1.207 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -11.786 12.905 0.032 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -11.707 14.496 1.547 1.00 0.00 O ATOM 0 H GLU A 82 -8.831 12.312 2.573 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.932 12.814 4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.426 11.338 1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.501 10.428 2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -13.100 11.679 1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.682 12.843 3.144 1.00 0.00 H new ATOM 1265 N GLU A 83 -9.248 10.083 4.970 1.00 0.00 N ATOM 1266 CA GLU A 83 -9.053 9.013 5.942 1.00 0.00 C ATOM 1267 C GLU A 83 -8.205 9.497 7.116 1.00 0.00 C ATOM 1268 O GLU A 83 -8.675 9.561 8.250 1.00 0.00 O ATOM 1269 CB GLU A 83 -8.385 7.807 5.275 1.00 0.00 C ATOM 1270 CG GLU A 83 -9.078 6.487 5.574 1.00 0.00 C ATOM 1271 CD GLU A 83 -9.263 5.633 4.333 1.00 0.00 C ATOM 1272 OE1 GLU A 83 -10.055 6.031 3.454 1.00 0.00 O ATOM 1273 OE2 GLU A 83 -8.617 4.568 4.244 1.00 0.00 O ATOM 0 H GLU A 83 -8.508 10.159 4.272 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.030 8.713 6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.367 7.962 4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.348 7.747 5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.495 5.932 6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.051 6.685 6.023 1.00 0.00 H new ATOM 1280 N GLU A 84 -6.952 9.839 6.829 1.00 0.00 N ATOM 1281 CA GLU A 84 -6.036 10.322 7.857 1.00 0.00 C ATOM 1282 C GLU A 84 -5.814 9.263 8.935 1.00 0.00 C ATOM 1283 O GLU A 84 -6.424 9.317 10.004 1.00 0.00 O ATOM 1284 CB GLU A 84 -6.578 11.604 8.491 1.00 0.00 C ATOM 1285 CG GLU A 84 -6.101 12.872 7.802 1.00 0.00 C ATOM 1286 CD GLU A 84 -6.428 14.123 8.593 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -7.408 14.097 9.368 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -5.706 15.130 8.437 1.00 0.00 O ATOM 0 H GLU A 84 -6.548 9.791 5.894 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.079 10.535 7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.667 11.577 8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.280 11.636 9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.023 12.815 7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.560 12.940 6.816 1.00 0.00 H new ATOM 1295 N PRO A 85 -4.930 8.285 8.671 1.00 0.00 N ATOM 1296 CA PRO A 85 -4.627 7.214 9.627 1.00 0.00 C ATOM 1297 C PRO A 85 -4.162 7.759 10.974 1.00 0.00 C ATOM 1298 O PRO A 85 -4.342 7.120 12.011 1.00 0.00 O ATOM 1299 CB PRO A 85 -3.499 6.432 8.949 1.00 0.00 C ATOM 1300 CG PRO A 85 -3.643 6.736 7.497 1.00 0.00 C ATOM 1301 CD PRO A 85 -4.156 8.147 7.424 1.00 0.00 C ATOM 0 HA PRO A 85 -5.505 6.608 9.849 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.523 6.742 9.323 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.589 5.363 9.140 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.688 6.640 6.981 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.335 6.043 7.019 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.342 8.870 7.373 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.779 8.305 6.543 1.00 0.00 H new ATOM 1309 N LYS A 86 -3.564 8.947 10.949 1.00 0.00 N ATOM 1310 CA LYS A 86 -3.073 9.587 12.164 1.00 0.00 C ATOM 1311 C LYS A 86 -1.951 8.770 12.801 1.00 0.00 C ATOM 1312 O LYS A 86 -1.896 8.618 14.021 1.00 0.00 O ATOM 1313 CB LYS A 86 -4.214 9.776 13.167 1.00 0.00 C ATOM 1314 CG LYS A 86 -3.972 10.908 14.154 1.00 0.00 C ATOM 1315 CD LYS A 86 -5.206 11.782 14.316 1.00 0.00 C ATOM 1316 CE LYS A 86 -6.075 11.312 15.471 1.00 0.00 C ATOM 1317 NZ LYS A 86 -6.986 10.206 15.066 1.00 0.00 N ATOM 0 H LYS A 86 -3.408 9.487 10.098 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.674 10.564 11.889 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.138 9.971 12.622 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.359 8.848 13.719 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.689 10.494 15.122 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.136 11.518 13.812 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.902 12.815 14.485 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.787 11.768 13.394 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.439 10.977 16.291 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.664 12.149 15.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.561 9.914 15.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.610 10.533 14.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.423 9.398 14.732 1.00 0.00 H new ATOM 1331 N ASP A 87 -1.056 8.249 11.968 1.00 0.00 N ATOM 1332 CA ASP A 87 0.065 7.452 12.454 1.00 0.00 C ATOM 1333 C ASP A 87 1.043 7.136 11.325 1.00 0.00 C ATOM 1334 O ASP A 87 0.971 7.722 10.244 1.00 0.00 O ATOM 1335 CB ASP A 87 -0.444 6.156 13.088 1.00 0.00 C ATOM 1336 CG ASP A 87 0.084 5.957 14.496 1.00 0.00 C ATOM 1337 OD1 ASP A 87 -0.200 6.812 15.361 1.00 0.00 O ATOM 1338 OD2 ASP A 87 0.781 4.948 14.732 1.00 0.00 O ATOM 0 H ASP A 87 -1.085 8.364 10.955 1.00 0.00 H new ATOM 0 HA ASP A 87 0.593 8.034 13.209 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.534 6.168 13.110 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.147 5.310 12.468 1.00 0.00 H new ATOM 1343 N GLU A 88 1.955 6.206 11.586 1.00 0.00 N ATOM 1344 CA GLU A 88 2.951 5.805 10.597 1.00 0.00 C ATOM 1345 C GLU A 88 2.296 5.149 9.385 1.00 0.00 C ATOM 1346 O GLU A 88 2.928 4.985 8.341 1.00 0.00 O ATOM 1347 CB GLU A 88 3.963 4.844 11.226 1.00 0.00 C ATOM 1348 CG GLU A 88 5.174 5.541 11.824 1.00 0.00 C ATOM 1349 CD GLU A 88 6.095 6.122 10.767 1.00 0.00 C ATOM 1350 OE1 GLU A 88 5.685 6.182 9.589 1.00 0.00 O ATOM 1351 OE2 GLU A 88 7.227 6.516 11.120 1.00 0.00 O ATOM 0 H GLU A 88 2.026 5.714 12.477 1.00 0.00 H new ATOM 0 HA GLU A 88 3.468 6.703 10.260 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.466 4.265 12.005 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.299 4.136 10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.839 6.339 12.487 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.731 4.832 12.436 1.00 0.00 H new ATOM 1358 N ASP A 89 1.027 4.769 9.524 1.00 0.00 N ATOM 1359 CA ASP A 89 0.293 4.126 8.439 1.00 0.00 C ATOM 1360 C ASP A 89 0.311 4.969 7.159 1.00 0.00 C ATOM 1361 O ASP A 89 -0.013 4.470 6.083 1.00 0.00 O ATOM 1362 CB ASP A 89 -1.151 3.841 8.867 1.00 0.00 C ATOM 1363 CG ASP A 89 -1.587 2.421 8.544 1.00 0.00 C ATOM 1364 OD1 ASP A 89 -0.979 1.467 9.083 1.00 0.00 O ATOM 1365 OD2 ASP A 89 -2.539 2.261 7.752 1.00 0.00 O ATOM 0 H ASP A 89 0.486 4.896 10.379 1.00 0.00 H new ATOM 0 HA ASP A 89 0.794 3.183 8.219 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.249 4.012 9.939 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.819 4.544 8.370 1.00 0.00 H new ATOM 1370 N PHE A 90 0.690 6.243 7.274 1.00 0.00 N ATOM 1371 CA PHE A 90 0.745 7.127 6.110 1.00 0.00 C ATOM 1372 C PHE A 90 2.167 7.643 5.864 1.00 0.00 C ATOM 1373 O PHE A 90 2.497 8.066 4.746 1.00 0.00 O ATOM 1374 CB PHE A 90 -0.223 8.302 6.279 1.00 0.00 C ATOM 1375 CG PHE A 90 0.175 9.275 7.353 1.00 0.00 C ATOM 1376 CD1 PHE A 90 1.224 10.159 7.151 1.00 0.00 C ATOM 1377 CD2 PHE A 90 -0.505 9.311 8.560 1.00 0.00 C ATOM 1378 CE1 PHE A 90 1.589 11.059 8.135 1.00 0.00 C ATOM 1379 CE2 PHE A 90 -0.146 10.212 9.546 1.00 0.00 C ATOM 1380 CZ PHE A 90 0.901 11.086 9.334 1.00 0.00 C ATOM 0 H PHE A 90 0.961 6.682 8.154 1.00 0.00 H new ATOM 0 HA PHE A 90 0.444 6.544 5.240 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.300 8.835 5.331 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.215 7.912 6.507 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.762 10.144 6.215 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.324 8.628 8.733 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.410 11.740 7.967 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.685 10.232 10.482 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.182 11.790 10.103 1.00 0.00 H new ATOM 1390 N SER A 91 3.003 7.600 6.905 1.00 0.00 N ATOM 1391 CA SER A 91 4.387 8.058 6.811 1.00 0.00 C ATOM 1392 C SER A 91 5.332 6.891 6.514 1.00 0.00 C ATOM 1393 O SER A 91 4.941 5.728 6.602 1.00 0.00 O ATOM 1394 CB SER A 91 4.810 8.751 8.108 1.00 0.00 C ATOM 1395 OG SER A 91 4.085 9.951 8.304 1.00 0.00 O ATOM 0 H SER A 91 2.741 7.250 7.827 1.00 0.00 H new ATOM 0 HA SER A 91 4.448 8.771 5.989 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.646 8.081 8.952 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.878 8.968 8.076 1.00 0.00 H new ATOM 0 HG SER A 91 3.209 9.878 7.872 1.00 0.00 H new ATOM 1401 N PRO A 92 6.589 7.194 6.140 1.00 0.00 N ATOM 1402 CA PRO A 92 7.597 6.204 5.808 1.00 0.00 C ATOM 1403 C PRO A 92 8.620 6.009 6.936 1.00 0.00 C ATOM 1404 O PRO A 92 8.310 5.409 7.965 1.00 0.00 O ATOM 1405 CB PRO A 92 8.233 6.865 4.586 1.00 0.00 C ATOM 1406 CG PRO A 92 8.184 8.339 4.887 1.00 0.00 C ATOM 1407 CD PRO A 92 7.148 8.539 5.978 1.00 0.00 C ATOM 0 HA PRO A 92 7.203 5.201 5.642 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.258 6.524 4.438 1.00 0.00 H new ATOM 0 HB3 PRO A 92 7.684 6.627 3.675 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.160 8.698 5.213 1.00 0.00 H new ATOM 0 HG3 PRO A 92 7.918 8.905 3.995 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.597 8.905 6.901 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.386 9.262 5.686 1.00 0.00 H new ATOM 1415 N ASP A 93 9.836 6.527 6.741 1.00 0.00 N ATOM 1416 CA ASP A 93 10.891 6.422 7.739 1.00 0.00 C ATOM 1417 C ASP A 93 11.374 7.814 8.157 1.00 0.00 C ATOM 1418 O ASP A 93 12.197 7.951 9.061 1.00 0.00 O ATOM 1419 CB ASP A 93 12.059 5.599 7.183 1.00 0.00 C ATOM 1420 CG ASP A 93 12.819 6.324 6.089 1.00 0.00 C ATOM 1421 OD1 ASP A 93 13.454 7.356 6.392 1.00 0.00 O ATOM 1422 OD2 ASP A 93 12.780 5.859 4.931 1.00 0.00 O ATOM 0 H ASP A 93 10.110 7.025 5.894 1.00 0.00 H new ATOM 0 HA ASP A 93 10.491 5.918 8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 93 12.744 5.354 7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 93 11.679 4.655 6.791 1.00 0.00 H new ATOM 1427 N GLY A 94 10.844 8.843 7.493 1.00 0.00 N ATOM 1428 CA GLY A 94 11.214 10.209 7.803 1.00 0.00 C ATOM 1429 C GLY A 94 10.013 11.031 8.221 1.00 0.00 C ATOM 1430 O GLY A 94 9.950 11.514 9.353 1.00 0.00 O ATOM 0 H GLY A 94 10.161 8.749 6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 94 11.955 10.213 8.603 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.683 10.666 6.932 1.00 0.00 H new ATOM 1434 N GLY A 95 9.046 11.175 7.316 1.00 0.00 N ATOM 1435 CA GLY A 95 7.850 11.929 7.642 1.00 0.00 C ATOM 1436 C GLY A 95 7.321 12.774 6.494 1.00 0.00 C ATOM 1437 O GLY A 95 7.239 13.996 6.615 1.00 0.00 O ATOM 0 H GLY A 95 9.070 10.787 6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.071 11.236 7.959 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.063 12.579 8.491 1.00 0.00 H new ATOM 1441 N TYR A 96 6.927 12.134 5.392 1.00 0.00 N ATOM 1442 CA TYR A 96 6.373 12.872 4.261 1.00 0.00 C ATOM 1443 C TYR A 96 4.859 13.006 4.432 1.00 0.00 C ATOM 1444 O TYR A 96 4.354 12.843 5.542 1.00 0.00 O ATOM 1445 CB TYR A 96 6.737 12.218 2.922 1.00 0.00 C ATOM 1446 CG TYR A 96 6.482 10.728 2.835 1.00 0.00 C ATOM 1447 CD1 TYR A 96 5.528 10.102 3.628 1.00 0.00 C ATOM 1448 CD2 TYR A 96 7.198 9.949 1.935 1.00 0.00 C ATOM 1449 CE1 TYR A 96 5.300 8.742 3.526 1.00 0.00 C ATOM 1450 CE2 TYR A 96 6.972 8.591 1.827 1.00 0.00 C ATOM 1451 CZ TYR A 96 6.023 7.996 2.625 1.00 0.00 C ATOM 1452 OH TYR A 96 5.795 6.646 2.522 1.00 0.00 O ATOM 0 H TYR A 96 6.980 11.124 5.261 1.00 0.00 H new ATOM 0 HA TYR A 96 6.813 13.869 4.245 1.00 0.00 H new ATOM 0 HB2 TYR A 96 6.174 12.712 2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.793 12.401 2.723 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.956 10.686 4.334 1.00 0.00 H new ATOM 0 HD2 TYR A 96 7.945 10.414 1.308 1.00 0.00 H new ATOM 0 HE1 TYR A 96 4.558 8.268 4.151 1.00 0.00 H new ATOM 0 HE2 TYR A 96 7.537 8.000 1.121 1.00 0.00 H new ATOM 0 HH TYR A 96 5.260 6.465 1.721 1.00 0.00 H new ATOM 1462 N ILE A 97 4.130 13.321 3.361 1.00 0.00 N ATOM 1463 CA ILE A 97 2.684 13.485 3.486 1.00 0.00 C ATOM 1464 C ILE A 97 1.922 13.266 2.138 1.00 0.00 C ATOM 1465 O ILE A 97 1.329 14.285 1.782 1.00 0.00 O ATOM 1466 CB ILE A 97 2.365 14.901 3.983 1.00 0.00 C ATOM 1467 CG1 ILE A 97 3.053 15.914 3.075 1.00 0.00 C ATOM 1468 CG2 ILE A 97 2.816 15.079 5.423 1.00 0.00 C ATOM 1469 CD1 ILE A 97 2.267 17.186 2.878 1.00 0.00 C ATOM 0 H ILE A 97 4.504 13.464 2.423 1.00 0.00 H new ATOM 0 HA ILE A 97 2.350 12.725 4.193 1.00 0.00 H new ATOM 0 HB ILE A 97 1.287 15.060 3.951 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.028 16.162 3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.232 15.454 2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.580 16.090 5.756 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.300 14.359 6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.892 14.916 5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.820 17.857 2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.302 16.952 2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.110 17.670 3.842 1.00 0.00 H new ATOM 1481 N PRO A 98 1.180 12.123 2.105 1.00 0.00 N ATOM 1482 CA PRO A 98 1.287 10.650 2.368 1.00 0.00 C ATOM 1483 C PRO A 98 1.693 9.917 1.103 1.00 0.00 C ATOM 1484 O PRO A 98 1.383 10.379 -0.003 1.00 0.00 O ATOM 1485 CB PRO A 98 -0.118 10.222 2.760 1.00 0.00 C ATOM 1486 CG PRO A 98 -0.412 11.268 3.691 1.00 0.00 C ATOM 1487 CD PRO A 98 0.850 12.064 3.602 1.00 0.00 C ATOM 0 HA PRO A 98 2.030 10.428 3.134 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -0.805 10.204 1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -0.146 9.232 3.215 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -1.290 11.847 3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.595 10.890 4.697 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.716 13.063 4.016 1.00 0.00 H new ATOM 0 HD3 PRO A 98 1.655 11.591 4.165 1.00 0.00 H new ATOM 1495 N ARG A 99 2.398 8.795 1.264 1.00 0.00 N ATOM 1496 CA ARG A 99 2.871 8.012 0.133 1.00 0.00 C ATOM 1497 C ARG A 99 2.579 6.515 0.302 1.00 0.00 C ATOM 1498 O ARG A 99 1.766 6.132 1.144 1.00 0.00 O ATOM 1499 CB ARG A 99 4.344 8.291 -0.093 1.00 0.00 C ATOM 1500 CG ARG A 99 4.553 9.509 -0.968 1.00 0.00 C ATOM 1501 CD ARG A 99 5.738 10.343 -0.518 1.00 0.00 C ATOM 1502 NE ARG A 99 6.076 11.387 -1.483 1.00 0.00 N ATOM 1503 CZ ARG A 99 5.367 12.501 -1.648 1.00 0.00 C ATOM 1504 NH1 ARG A 99 4.284 12.725 -0.913 1.00 0.00 N ATOM 1505 NH2 ARG A 99 5.745 13.398 -2.549 1.00 0.00 N ATOM 0 H ARG A 99 2.652 8.411 2.174 1.00 0.00 H new ATOM 0 HA ARG A 99 2.321 8.317 -0.757 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.838 8.443 0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.812 7.423 -0.558 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.706 9.191 -1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.653 10.123 -0.954 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.513 10.800 0.446 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.601 9.694 -0.370 1.00 0.00 H new ATOM 0 HE ARG A 99 6.904 11.254 -2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.990 12.041 -0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.746 13.581 -1.045 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.578 13.233 -3.114 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.203 14.252 -2.677 1.00 0.00 H new ATOM 1519 N ILE A 100 3.190 5.676 -0.543 1.00 0.00 N ATOM 1520 CA ILE A 100 2.925 4.230 -0.512 1.00 0.00 C ATOM 1521 C ILE A 100 3.774 3.462 0.508 1.00 0.00 C ATOM 1522 O ILE A 100 5.000 3.453 0.434 1.00 0.00 O ATOM 1523 CB ILE A 100 3.112 3.603 -1.914 1.00 0.00 C ATOM 1524 CG1 ILE A 100 4.596 3.505 -2.283 1.00 0.00 C ATOM 1525 CG2 ILE A 100 2.364 4.418 -2.961 1.00 0.00 C ATOM 1526 CD1 ILE A 100 5.105 2.082 -2.360 1.00 0.00 C ATOM 0 H ILE A 100 3.865 5.968 -1.250 1.00 0.00 H new ATOM 0 HA ILE A 100 1.887 4.136 -0.194 1.00 0.00 H new ATOM 0 HB ILE A 100 2.701 2.594 -1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.756 3.993 -3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.183 4.053 -1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.504 3.966 -3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.302 4.435 -2.718 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.750 5.437 -2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.162 2.088 -2.626 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.976 1.597 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.544 1.535 -3.118 1.00 0.00 H new ATOM 1538 N LEU A 101 3.093 2.804 1.456 1.00 0.00 N ATOM 1539 CA LEU A 101 3.758 2.008 2.496 1.00 0.00 C ATOM 1540 C LEU A 101 3.265 0.558 2.447 1.00 0.00 C ATOM 1541 O LEU A 101 2.058 0.318 2.455 1.00 0.00 O ATOM 1542 CB LEU A 101 3.471 2.543 3.917 1.00 0.00 C ATOM 1543 CG LEU A 101 3.706 4.040 4.219 1.00 0.00 C ATOM 1544 CD1 LEU A 101 3.815 4.888 2.965 1.00 0.00 C ATOM 1545 CD2 LEU A 101 2.586 4.568 5.106 1.00 0.00 C ATOM 0 H LEU A 101 2.075 2.808 1.524 1.00 0.00 H new ATOM 0 HA LEU A 101 4.828 2.073 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.429 2.321 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.081 1.968 4.614 1.00 0.00 H new ATOM 0 HG LEU A 101 4.663 4.114 4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.980 5.929 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.651 4.537 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.893 4.807 2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.756 5.624 5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.630 4.449 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.569 4.010 6.042 1.00 0.00 H new ATOM 1557 N PHE A 102 4.178 -0.411 2.425 1.00 0.00 N ATOM 1558 CA PHE A 102 3.768 -1.819 2.404 1.00 0.00 C ATOM 1559 C PHE A 102 3.543 -2.327 3.829 1.00 0.00 C ATOM 1560 O PHE A 102 4.111 -1.787 4.781 1.00 0.00 O ATOM 1561 CB PHE A 102 4.818 -2.683 1.696 1.00 0.00 C ATOM 1562 CG PHE A 102 4.304 -3.390 0.471 1.00 0.00 C ATOM 1563 CD1 PHE A 102 3.027 -3.929 0.445 1.00 0.00 C ATOM 1564 CD2 PHE A 102 5.103 -3.520 -0.655 1.00 0.00 C ATOM 1565 CE1 PHE A 102 2.557 -4.582 -0.677 1.00 0.00 C ATOM 1566 CE2 PHE A 102 4.637 -4.174 -1.781 1.00 0.00 C ATOM 1567 CZ PHE A 102 3.362 -4.705 -1.791 1.00 0.00 C ATOM 0 H PHE A 102 5.186 -0.256 2.421 1.00 0.00 H new ATOM 0 HA PHE A 102 2.832 -1.893 1.850 1.00 0.00 H new ATOM 0 HB2 PHE A 102 5.661 -2.053 1.412 1.00 0.00 H new ATOM 0 HB3 PHE A 102 5.197 -3.425 2.399 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.392 -3.837 1.314 1.00 0.00 H new ATOM 0 HD2 PHE A 102 6.100 -3.106 -0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.560 -4.996 -0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.269 -4.269 -2.651 1.00 0.00 H new ATOM 0 HZ PHE A 102 2.996 -5.216 -2.669 1.00 0.00 H new ATOM 1577 N LEU A 103 2.711 -3.359 3.979 1.00 0.00 N ATOM 1578 CA LEU A 103 2.427 -3.907 5.303 1.00 0.00 C ATOM 1579 C LEU A 103 2.015 -5.370 5.255 1.00 0.00 C ATOM 1580 O LEU A 103 1.903 -5.971 4.186 1.00 0.00 O ATOM 1581 CB LEU A 103 1.326 -3.111 5.994 1.00 0.00 C ATOM 1582 CG LEU A 103 0.223 -2.566 5.088 1.00 0.00 C ATOM 1583 CD1 LEU A 103 -0.976 -2.117 5.898 1.00 0.00 C ATOM 1584 CD2 LEU A 103 0.740 -1.434 4.213 1.00 0.00 C ATOM 0 H LEU A 103 2.229 -3.826 3.211 1.00 0.00 H new ATOM 0 HA LEU A 103 3.357 -3.832 5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.866 -3.747 6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.785 -2.273 6.518 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.097 -3.376 4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.745 -1.734 5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.373 -2.963 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.674 -1.331 6.590 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.067 -1.066 3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.104 -0.623 4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.554 -1.800 3.588 1.00 0.00 H new ATOM 1596 N ASP A 104 1.778 -5.928 6.443 1.00 0.00 N ATOM 1597 CA ASP A 104 1.367 -7.322 6.572 1.00 0.00 C ATOM 1598 C ASP A 104 -0.113 -7.490 6.227 1.00 0.00 C ATOM 1599 O ASP A 104 -0.921 -6.587 6.477 1.00 0.00 O ATOM 1600 CB ASP A 104 1.637 -7.825 7.993 1.00 0.00 C ATOM 1601 CG ASP A 104 2.565 -9.024 8.012 1.00 0.00 C ATOM 1602 OD1 ASP A 104 3.442 -9.111 7.129 1.00 0.00 O ATOM 1603 OD2 ASP A 104 2.414 -9.876 8.914 1.00 0.00 O ATOM 0 H ASP A 104 1.865 -5.432 7.330 1.00 0.00 H new ATOM 0 HA ASP A 104 1.952 -7.915 5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 104 2.074 -7.020 8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.693 -8.092 8.467 1.00 0.00 H new ATOM 1608 N PRO A 105 -0.487 -8.653 5.647 1.00 0.00 N ATOM 1609 CA PRO A 105 -1.872 -8.946 5.261 1.00 0.00 C ATOM 1610 C PRO A 105 -2.841 -8.819 6.428 1.00 0.00 C ATOM 1611 O PRO A 105 -3.028 -9.757 7.203 1.00 0.00 O ATOM 1612 CB PRO A 105 -1.827 -10.395 4.754 1.00 0.00 C ATOM 1613 CG PRO A 105 -0.519 -10.943 5.220 1.00 0.00 C ATOM 1614 CD PRO A 105 0.415 -9.772 5.325 1.00 0.00 C ATOM 0 HA PRO A 105 -2.232 -8.240 4.513 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.659 -10.976 5.152 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.903 -10.433 3.667 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.627 -11.442 6.183 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -0.136 -11.684 4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.164 -9.922 6.102 1.00 0.00 H new ATOM 0 HD3 PRO A 105 0.953 -9.601 4.393 1.00 0.00 H new ATOM 1622 N SER A 106 -3.451 -7.645 6.539 1.00 0.00 N ATOM 1623 CA SER A 106 -4.410 -7.349 7.602 1.00 0.00 C ATOM 1624 C SER A 106 -4.574 -5.842 7.741 1.00 0.00 C ATOM 1625 O SER A 106 -5.643 -5.346 8.095 1.00 0.00 O ATOM 1626 CB SER A 106 -3.954 -7.944 8.938 1.00 0.00 C ATOM 1627 OG SER A 106 -4.545 -9.214 9.159 1.00 0.00 O ATOM 0 H SER A 106 -3.296 -6.869 5.895 1.00 0.00 H new ATOM 0 HA SER A 106 -5.366 -7.800 7.335 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.868 -8.038 8.946 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.221 -7.269 9.751 1.00 0.00 H new ATOM 0 HG SER A 106 -4.031 -9.901 8.686 1.00 0.00 H new ATOM 1633 N GLY A 107 -3.492 -5.120 7.461 1.00 0.00 N ATOM 1634 CA GLY A 107 -3.509 -3.674 7.557 1.00 0.00 C ATOM 1635 C GLY A 107 -2.504 -3.170 8.572 1.00 0.00 C ATOM 1636 O GLY A 107 -2.837 -2.343 9.420 1.00 0.00 O ATOM 0 H GLY A 107 -2.599 -5.516 7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.289 -3.242 6.581 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.508 -3.339 7.836 1.00 0.00 H new ATOM 1640 N LYS A 108 -1.276 -3.684 8.504 1.00 0.00 N ATOM 1641 CA LYS A 108 -0.242 -3.283 9.455 1.00 0.00 C ATOM 1642 C LYS A 108 0.947 -2.583 8.789 1.00 0.00 C ATOM 1643 O LYS A 108 2.023 -3.174 8.659 1.00 0.00 O ATOM 1644 CB LYS A 108 0.248 -4.503 10.234 1.00 0.00 C ATOM 1645 CG LYS A 108 -0.437 -4.679 11.577 1.00 0.00 C ATOM 1646 CD LYS A 108 0.422 -5.485 12.537 1.00 0.00 C ATOM 1647 CE LYS A 108 0.003 -6.946 12.567 1.00 0.00 C ATOM 1648 NZ LYS A 108 1.137 -7.842 12.926 1.00 0.00 N ATOM 0 H LYS A 108 -0.976 -4.369 7.810 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.699 -2.560 10.131 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.086 -5.397 9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.323 -4.416 10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.649 -3.701 12.010 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.395 -5.180 11.436 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.468 -5.411 12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.344 -5.062 13.539 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.805 -7.077 13.287 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.390 -7.231 11.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.810 -8.829 12.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.898 -7.736 12.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.496 -7.587 13.868 1.00 0.00 H new ATOM 1662 N VAL A 109 0.750 -1.324 8.378 1.00 0.00 N ATOM 1663 CA VAL A 109 1.798 -0.532 7.755 1.00 0.00 C ATOM 1664 C VAL A 109 3.055 -0.506 8.609 1.00 0.00 C ATOM 1665 O VAL A 109 3.102 0.144 9.652 1.00 0.00 O ATOM 1666 CB VAL A 109 1.323 0.908 7.525 1.00 0.00 C ATOM 1667 CG1 VAL A 109 2.434 1.741 6.931 1.00 0.00 C ATOM 1668 CG2 VAL A 109 0.092 0.934 6.631 1.00 0.00 C ATOM 0 H VAL A 109 -0.140 -0.834 8.471 1.00 0.00 H new ATOM 0 HA VAL A 109 2.030 -1.000 6.798 1.00 0.00 H new ATOM 0 HB VAL A 109 1.049 1.337 8.489 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.081 2.760 6.774 1.00 0.00 H new ATOM 0 HG12 VAL A 109 3.284 1.753 7.613 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.740 1.312 5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.227 1.965 6.481 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.333 0.485 5.667 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.712 0.370 7.103 1.00 0.00 H new ATOM 1678 N HIS A 110 4.077 -1.198 8.135 1.00 0.00 N ATOM 1679 CA HIS A 110 5.351 -1.242 8.825 1.00 0.00 C ATOM 1680 C HIS A 110 6.416 -0.588 7.955 1.00 0.00 C ATOM 1681 O HIS A 110 6.556 -0.932 6.782 1.00 0.00 O ATOM 1682 CB HIS A 110 5.741 -2.686 9.141 1.00 0.00 C ATOM 1683 CG HIS A 110 6.500 -2.833 10.424 1.00 0.00 C ATOM 1684 ND1 HIS A 110 7.841 -2.532 10.544 1.00 0.00 N ATOM 1685 CD2 HIS A 110 6.100 -3.251 11.649 1.00 0.00 C ATOM 1686 CE1 HIS A 110 8.231 -2.758 11.785 1.00 0.00 C ATOM 1687 NE2 HIS A 110 7.194 -3.194 12.476 1.00 0.00 N ATOM 0 H HIS A 110 4.047 -1.739 7.271 1.00 0.00 H new ATOM 0 HA HIS A 110 5.266 -0.699 9.766 1.00 0.00 H new ATOM 0 HB2 HIS A 110 4.838 -3.295 9.190 1.00 0.00 H new ATOM 0 HB3 HIS A 110 6.346 -3.078 8.323 1.00 0.00 H new ATOM 0 HD2 HIS A 110 5.105 -3.570 11.924 1.00 0.00 H new ATOM 0 HE1 HIS A 110 9.229 -2.611 12.170 1.00 0.00 H new ATOM 0 HE2 HIS A 110 7.204 -3.447 13.464 1.00 0.00 H new ATOM 1696 N PRO A 111 7.176 0.372 8.504 1.00 0.00 N ATOM 1697 CA PRO A 111 8.224 1.068 7.753 1.00 0.00 C ATOM 1698 C PRO A 111 9.397 0.154 7.431 1.00 0.00 C ATOM 1699 O PRO A 111 10.557 0.545 7.552 1.00 0.00 O ATOM 1700 CB PRO A 111 8.657 2.193 8.693 1.00 0.00 C ATOM 1701 CG PRO A 111 8.298 1.710 10.056 1.00 0.00 C ATOM 1702 CD PRO A 111 7.074 0.855 9.890 1.00 0.00 C ATOM 0 HA PRO A 111 7.867 1.426 6.788 1.00 0.00 H new ATOM 0 HB2 PRO A 111 9.726 2.387 8.611 1.00 0.00 H new ATOM 0 HB3 PRO A 111 8.145 3.125 8.456 1.00 0.00 H new ATOM 0 HG2 PRO A 111 9.116 1.138 10.494 1.00 0.00 H new ATOM 0 HG3 PRO A 111 8.100 2.547 10.726 1.00 0.00 H new ATOM 0 HD2 PRO A 111 7.061 0.030 10.602 1.00 0.00 H new ATOM 0 HD3 PRO A 111 6.160 1.428 10.049 1.00 0.00 H new ATOM 1710 N GLU A 112 9.083 -1.071 7.024 1.00 0.00 N ATOM 1711 CA GLU A 112 10.109 -2.052 6.686 1.00 0.00 C ATOM 1712 C GLU A 112 10.166 -2.288 5.181 1.00 0.00 C ATOM 1713 O GLU A 112 11.244 -2.438 4.607 1.00 0.00 O ATOM 1714 CB GLU A 112 9.838 -3.371 7.409 1.00 0.00 C ATOM 1715 CG GLU A 112 11.030 -4.311 7.417 1.00 0.00 C ATOM 1716 CD GLU A 112 10.969 -5.339 6.304 1.00 0.00 C ATOM 1717 OE1 GLU A 112 9.859 -5.828 6.008 1.00 0.00 O ATOM 1718 OE2 GLU A 112 12.032 -5.653 5.729 1.00 0.00 O ATOM 0 H GLU A 112 8.126 -1.409 6.920 1.00 0.00 H new ATOM 0 HA GLU A 112 11.072 -1.657 7.009 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.545 -3.159 8.437 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.994 -3.871 6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.947 -3.730 7.320 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.078 -4.823 8.378 1.00 0.00 H new ATOM 1725 N ILE A 113 8.999 -2.323 4.546 1.00 0.00 N ATOM 1726 CA ILE A 113 8.921 -2.545 3.108 1.00 0.00 C ATOM 1727 C ILE A 113 8.766 -1.230 2.354 1.00 0.00 C ATOM 1728 O ILE A 113 7.673 -0.655 2.290 1.00 0.00 O ATOM 1729 CB ILE A 113 7.751 -3.478 2.745 1.00 0.00 C ATOM 1730 CG1 ILE A 113 7.939 -4.848 3.390 1.00 0.00 C ATOM 1731 CG2 ILE A 113 7.623 -3.620 1.234 1.00 0.00 C ATOM 1732 CD1 ILE A 113 6.659 -5.648 3.465 1.00 0.00 C ATOM 0 H ILE A 113 8.096 -2.201 5.004 1.00 0.00 H new ATOM 0 HA ILE A 113 9.857 -3.019 2.811 1.00 0.00 H new ATOM 0 HB ILE A 113 6.832 -3.035 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.680 -5.411 2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.339 -4.718 4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.790 -4.283 1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.442 -2.641 0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.545 -4.038 0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.859 -6.612 3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.923 -5.103 4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.270 -5.807 2.459 1.00 0.00 H new ATOM 1744 N ILE A 114 9.871 -0.769 1.776 1.00 0.00 N ATOM 1745 CA ILE A 114 9.883 0.469 1.012 1.00 0.00 C ATOM 1746 C ILE A 114 9.766 0.182 -0.484 1.00 0.00 C ATOM 1747 O ILE A 114 9.419 -0.929 -0.884 1.00 0.00 O ATOM 1748 CB ILE A 114 11.167 1.291 1.289 1.00 0.00 C ATOM 1749 CG1 ILE A 114 12.387 0.694 0.568 1.00 0.00 C ATOM 1750 CG2 ILE A 114 11.426 1.383 2.787 1.00 0.00 C ATOM 1751 CD1 ILE A 114 12.847 -0.637 1.124 1.00 0.00 C ATOM 0 H ILE A 114 10.775 -1.240 1.824 1.00 0.00 H new ATOM 0 HA ILE A 114 9.022 1.057 1.331 1.00 0.00 H new ATOM 0 HB ILE A 114 11.009 2.295 0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 114 12.146 0.570 -0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 114 13.212 1.404 0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 114 12.331 1.963 2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.581 1.871 3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 114 11.551 0.381 3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.711 -0.988 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 114 13.122 -0.518 2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.040 -1.365 1.041 1.00 0.00 H new ATOM 1763 N ASN A 115 10.062 1.183 -1.305 1.00 0.00 N ATOM 1764 CA ASN A 115 9.995 1.021 -2.752 1.00 0.00 C ATOM 1765 C ASN A 115 11.289 0.414 -3.285 1.00 0.00 C ATOM 1766 O ASN A 115 11.265 -0.468 -4.144 1.00 0.00 O ATOM 1767 CB ASN A 115 9.724 2.368 -3.432 1.00 0.00 C ATOM 1768 CG ASN A 115 9.789 2.275 -4.948 1.00 0.00 C ATOM 1769 OD1 ASN A 115 10.068 1.214 -5.504 1.00 0.00 O ATOM 1770 ND2 ASN A 115 9.524 3.382 -5.631 1.00 0.00 N ATOM 0 H ASN A 115 10.349 2.111 -0.995 1.00 0.00 H new ATOM 0 HA ASN A 115 9.173 0.343 -2.981 1.00 0.00 H new ATOM 0 HB2 ASN A 115 8.740 2.731 -3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 115 10.452 3.101 -3.084 1.00 0.00 H new ATOM 0 HD21 ASN A 115 9.548 3.370 -6.651 1.00 0.00 H new ATOM 0 HD22 ASN A 115 9.296 4.244 -5.136 1.00 0.00 H new ATOM 1777 N GLU A 116 12.415 0.900 -2.770 1.00 0.00 N ATOM 1778 CA GLU A 116 13.735 0.423 -3.185 1.00 0.00 C ATOM 1779 C GLU A 116 14.181 1.105 -4.474 1.00 0.00 C ATOM 1780 O GLU A 116 15.261 1.694 -4.533 1.00 0.00 O ATOM 1781 CB GLU A 116 13.736 -1.101 -3.369 1.00 0.00 C ATOM 1782 CG GLU A 116 14.942 -1.786 -2.750 1.00 0.00 C ATOM 1783 CD GLU A 116 16.255 -1.199 -3.229 1.00 0.00 C ATOM 1784 OE1 GLU A 116 16.668 -0.150 -2.691 1.00 0.00 O ATOM 1785 OE2 GLU A 116 16.872 -1.789 -4.142 1.00 0.00 O ATOM 0 H GLU A 116 12.441 1.630 -2.058 1.00 0.00 H new ATOM 0 HA GLU A 116 14.441 0.678 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.828 -1.513 -2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.705 -1.330 -4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 116 14.885 -1.703 -1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 116 14.914 -2.849 -2.990 1.00 0.00 H new ATOM 1792 N ASN A 117 13.345 1.026 -5.506 1.00 0.00 N ATOM 1793 CA ASN A 117 13.660 1.643 -6.790 1.00 0.00 C ATOM 1794 C ASN A 117 13.030 3.030 -6.904 1.00 0.00 C ATOM 1795 O ASN A 117 12.845 3.547 -8.006 1.00 0.00 O ATOM 1796 CB ASN A 117 13.176 0.750 -7.936 1.00 0.00 C ATOM 1797 CG ASN A 117 14.300 0.357 -8.877 1.00 0.00 C ATOM 1798 OD1 ASN A 117 14.550 1.029 -9.877 1.00 0.00 O ATOM 1799 ND2 ASN A 117 14.983 -0.736 -8.557 1.00 0.00 N ATOM 0 H ASN A 117 12.447 0.542 -5.478 1.00 0.00 H new ATOM 0 HA ASN A 117 14.742 1.755 -6.855 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.719 -0.150 -7.524 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.401 1.272 -8.498 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.751 -1.050 -9.151 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.740 -1.262 -7.717 1.00 0.00 H new ATOM 1806 N GLY A 118 12.702 3.629 -5.762 1.00 0.00 N ATOM 1807 CA GLY A 118 12.097 4.947 -5.764 1.00 0.00 C ATOM 1808 C GLY A 118 13.120 6.061 -5.853 1.00 0.00 C ATOM 1809 O GLY A 118 13.281 6.687 -6.901 1.00 0.00 O ATOM 0 H GLY A 118 12.845 3.224 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 118 11.408 5.024 -6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 118 11.507 5.073 -4.856 1.00 0.00 H new ATOM 1813 N ASN A 119 13.809 6.313 -4.747 1.00 0.00 N ATOM 1814 CA ASN A 119 14.820 7.363 -4.692 1.00 0.00 C ATOM 1815 C ASN A 119 15.589 7.304 -3.372 1.00 0.00 C ATOM 1816 O ASN A 119 15.022 6.963 -2.336 1.00 0.00 O ATOM 1817 CB ASN A 119 14.156 8.733 -4.845 1.00 0.00 C ATOM 1818 CG ASN A 119 14.984 9.694 -5.675 1.00 0.00 C ATOM 1819 OD1 ASN A 119 15.515 9.329 -6.723 1.00 0.00 O ATOM 1820 ND2 ASN A 119 15.097 10.932 -5.207 1.00 0.00 N ATOM 0 H ASN A 119 13.686 5.803 -3.872 1.00 0.00 H new ATOM 0 HA ASN A 119 15.524 7.209 -5.510 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.178 8.608 -5.309 1.00 0.00 H new ATOM 0 HB3 ASN A 119 13.988 9.163 -3.858 1.00 0.00 H new ATOM 0 HD21 ASN A 119 15.642 11.624 -5.722 1.00 0.00 H new ATOM 0 HD22 ASN A 119 14.639 11.191 -4.333 1.00 0.00 H new ATOM 1827 N PRO A 120 16.894 7.637 -3.387 1.00 0.00 N ATOM 1828 CA PRO A 120 17.726 7.619 -2.179 1.00 0.00 C ATOM 1829 C PRO A 120 17.473 8.826 -1.275 1.00 0.00 C ATOM 1830 O PRO A 120 18.411 9.473 -0.809 1.00 0.00 O ATOM 1831 CB PRO A 120 19.146 7.658 -2.740 1.00 0.00 C ATOM 1832 CG PRO A 120 19.022 8.395 -4.027 1.00 0.00 C ATOM 1833 CD PRO A 120 17.658 8.060 -4.577 1.00 0.00 C ATOM 0 HA PRO A 120 17.520 6.752 -1.551 1.00 0.00 H new ATOM 0 HB2 PRO A 120 19.828 8.165 -2.057 1.00 0.00 H new ATOM 0 HB3 PRO A 120 19.539 6.653 -2.895 1.00 0.00 H new ATOM 0 HG2 PRO A 120 19.126 9.469 -3.872 1.00 0.00 H new ATOM 0 HG3 PRO A 120 19.806 8.097 -4.723 1.00 0.00 H new ATOM 0 HD2 PRO A 120 17.199 8.922 -5.062 1.00 0.00 H new ATOM 0 HD3 PRO A 120 17.711 7.266 -5.322 1.00 0.00 H new ATOM 1841 N SER A 121 16.199 9.120 -1.035 1.00 0.00 N ATOM 1842 CA SER A 121 15.800 10.240 -0.192 1.00 0.00 C ATOM 1843 C SER A 121 14.291 10.401 -0.254 1.00 0.00 C ATOM 1844 O SER A 121 13.769 11.512 -0.352 1.00 0.00 O ATOM 1845 CB SER A 121 16.482 11.533 -0.648 1.00 0.00 C ATOM 1846 OG SER A 121 17.720 11.718 0.017 1.00 0.00 O ATOM 0 H SER A 121 15.417 8.590 -1.419 1.00 0.00 H new ATOM 0 HA SER A 121 16.107 10.036 0.834 1.00 0.00 H new ATOM 0 HB2 SER A 121 16.645 11.501 -1.725 1.00 0.00 H new ATOM 0 HB3 SER A 121 15.828 12.382 -0.449 1.00 0.00 H new ATOM 0 HG SER A 121 18.248 10.895 -0.040 1.00 0.00 H new ATOM 1852 N TYR A 122 13.597 9.269 -0.223 1.00 0.00 N ATOM 1853 CA TYR A 122 12.146 9.255 -0.303 1.00 0.00 C ATOM 1854 C TYR A 122 11.622 7.826 -0.179 1.00 0.00 C ATOM 1855 O TYR A 122 10.623 7.571 0.491 1.00 0.00 O ATOM 1856 CB TYR A 122 11.711 9.869 -1.632 1.00 0.00 C ATOM 1857 CG TYR A 122 11.025 11.208 -1.494 1.00 0.00 C ATOM 1858 CD1 TYR A 122 9.867 11.347 -0.741 1.00 0.00 C ATOM 1859 CD2 TYR A 122 11.540 12.337 -2.118 1.00 0.00 C ATOM 1860 CE1 TYR A 122 9.240 12.573 -0.616 1.00 0.00 C ATOM 1861 CE2 TYR A 122 10.922 13.565 -1.998 1.00 0.00 C ATOM 1862 CZ TYR A 122 9.771 13.678 -1.246 1.00 0.00 C ATOM 1863 OH TYR A 122 9.151 14.900 -1.124 1.00 0.00 O ATOM 0 H TYR A 122 14.022 8.345 -0.142 1.00 0.00 H new ATOM 0 HA TYR A 122 11.732 9.841 0.518 1.00 0.00 H new ATOM 0 HB2 TYR A 122 12.586 9.985 -2.271 1.00 0.00 H new ATOM 0 HB3 TYR A 122 11.037 9.177 -2.137 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.449 10.484 -0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 122 12.441 12.252 -2.708 1.00 0.00 H new ATOM 0 HE1 TYR A 122 8.339 12.664 -0.028 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.337 14.432 -2.490 1.00 0.00 H new ATOM 0 HH TYR A 122 9.654 15.574 -1.628 1.00 0.00 H new ATOM 1873 N LYS A 123 12.322 6.899 -0.827 1.00 0.00 N ATOM 1874 CA LYS A 123 11.963 5.482 -0.795 1.00 0.00 C ATOM 1875 C LYS A 123 10.487 5.250 -1.141 1.00 0.00 C ATOM 1876 O LYS A 123 10.136 5.034 -2.300 1.00 0.00 O ATOM 1877 CB LYS A 123 12.279 4.898 0.589 1.00 0.00 C ATOM 1878 CG LYS A 123 13.714 4.414 0.753 1.00 0.00 C ATOM 1879 CD LYS A 123 14.140 3.496 -0.385 1.00 0.00 C ATOM 1880 CE LYS A 123 15.147 4.173 -1.300 1.00 0.00 C ATOM 1881 NZ LYS A 123 14.782 4.027 -2.735 1.00 0.00 N ATOM 0 H LYS A 123 13.150 7.106 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 123 12.557 4.974 -1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 123 12.075 5.656 1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 123 11.603 4.065 0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 123 14.384 5.273 0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 123 13.812 3.886 1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 123 14.575 2.584 0.025 1.00 0.00 H new ATOM 0 HD3 LYS A 123 13.264 3.200 -0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 123 15.211 5.232 -1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 123 16.135 3.745 -1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 15.256 4.767 -3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 15.082 3.092 -3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 13.752 4.120 -2.842 1.00 0.00 H new ATOM 1895 N TYR A 124 9.632 5.277 -0.120 1.00 0.00 N ATOM 1896 CA TYR A 124 8.195 5.049 -0.285 1.00 0.00 C ATOM 1897 C TYR A 124 7.552 5.970 -1.330 1.00 0.00 C ATOM 1898 O TYR A 124 6.374 5.801 -1.671 1.00 0.00 O ATOM 1899 CB TYR A 124 7.494 5.212 1.062 1.00 0.00 C ATOM 1900 CG TYR A 124 7.996 4.260 2.127 1.00 0.00 C ATOM 1901 CD1 TYR A 124 9.088 4.592 2.919 1.00 0.00 C ATOM 1902 CD2 TYR A 124 7.379 3.035 2.341 1.00 0.00 C ATOM 1903 CE1 TYR A 124 9.549 3.729 3.895 1.00 0.00 C ATOM 1904 CE2 TYR A 124 7.833 2.167 3.317 1.00 0.00 C ATOM 1905 CZ TYR A 124 8.918 2.520 4.090 1.00 0.00 C ATOM 1906 OH TYR A 124 9.373 1.659 5.062 1.00 0.00 O ATOM 0 H TYR A 124 9.914 5.457 0.844 1.00 0.00 H new ATOM 0 HA TYR A 124 8.073 4.031 -0.655 1.00 0.00 H new ATOM 0 HB2 TYR A 124 7.628 6.236 1.410 1.00 0.00 H new ATOM 0 HB3 TYR A 124 6.423 5.059 0.926 1.00 0.00 H new ATOM 0 HD1 TYR A 124 9.584 5.539 2.770 1.00 0.00 H new ATOM 0 HD2 TYR A 124 6.530 2.755 1.735 1.00 0.00 H new ATOM 0 HE1 TYR A 124 10.400 4.001 4.502 1.00 0.00 H new ATOM 0 HE2 TYR A 124 7.340 1.219 3.473 1.00 0.00 H new ATOM 0 HH TYR A 124 9.976 2.139 5.668 1.00 0.00 H new ATOM 1916 N PHE A 125 8.313 6.933 -1.846 1.00 0.00 N ATOM 1917 CA PHE A 125 7.793 7.842 -2.862 1.00 0.00 C ATOM 1918 C PHE A 125 7.649 7.103 -4.188 1.00 0.00 C ATOM 1919 O PHE A 125 8.628 6.585 -4.726 1.00 0.00 O ATOM 1920 CB PHE A 125 8.726 9.041 -3.035 1.00 0.00 C ATOM 1921 CG PHE A 125 8.331 9.965 -4.154 1.00 0.00 C ATOM 1922 CD1 PHE A 125 7.019 10.385 -4.296 1.00 0.00 C ATOM 1923 CD2 PHE A 125 9.277 10.409 -5.065 1.00 0.00 C ATOM 1924 CE1 PHE A 125 6.658 11.233 -5.327 1.00 0.00 C ATOM 1925 CE2 PHE A 125 8.920 11.257 -6.095 1.00 0.00 C ATOM 1926 CZ PHE A 125 7.609 11.670 -6.227 1.00 0.00 C ATOM 0 H PHE A 125 9.283 7.102 -1.580 1.00 0.00 H new ATOM 0 HA PHE A 125 6.816 8.204 -2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.752 9.606 -2.103 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.738 8.678 -3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 125 6.270 10.047 -3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 125 10.304 10.088 -4.968 1.00 0.00 H new ATOM 0 HE1 PHE A 125 5.632 11.553 -5.428 1.00 0.00 H new ATOM 0 HE2 PHE A 125 9.666 11.597 -6.797 1.00 0.00 H new ATOM 0 HZ PHE A 125 7.329 12.333 -7.032 1.00 0.00 H new ATOM 1936 N TYR A 126 6.429 7.044 -4.707 1.00 0.00 N ATOM 1937 CA TYR A 126 6.180 6.353 -5.964 1.00 0.00 C ATOM 1938 C TYR A 126 6.109 7.327 -7.132 1.00 0.00 C ATOM 1939 O TYR A 126 5.817 8.509 -6.955 1.00 0.00 O ATOM 1940 CB TYR A 126 4.887 5.539 -5.880 1.00 0.00 C ATOM 1941 CG TYR A 126 5.116 4.048 -5.751 1.00 0.00 C ATOM 1942 CD1 TYR A 126 6.261 3.545 -5.143 1.00 0.00 C ATOM 1943 CD2 TYR A 126 4.180 3.145 -6.232 1.00 0.00 C ATOM 1944 CE1 TYR A 126 6.464 2.185 -5.020 1.00 0.00 C ATOM 1945 CE2 TYR A 126 4.375 1.783 -6.109 1.00 0.00 C ATOM 1946 CZ TYR A 126 5.518 1.309 -5.503 1.00 0.00 C ATOM 1947 OH TYR A 126 5.715 -0.047 -5.382 1.00 0.00 O ATOM 0 H TYR A 126 5.603 7.463 -4.280 1.00 0.00 H new ATOM 0 HA TYR A 126 7.017 5.677 -6.139 1.00 0.00 H new ATOM 0 HB2 TYR A 126 4.305 5.884 -5.025 1.00 0.00 H new ATOM 0 HB3 TYR A 126 4.289 5.730 -6.771 1.00 0.00 H new ATOM 0 HD1 TYR A 126 7.004 4.230 -4.761 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.284 3.512 -6.710 1.00 0.00 H new ATOM 0 HE1 TYR A 126 7.360 1.810 -4.547 1.00 0.00 H new ATOM 0 HE2 TYR A 126 3.635 1.093 -6.486 1.00 0.00 H new ATOM 0 HH TYR A 126 4.871 -0.516 -5.548 1.00 0.00 H new ATOM 1957 N VAL A 127 6.374 6.807 -8.325 1.00 0.00 N ATOM 1958 CA VAL A 127 6.345 7.596 -9.547 1.00 0.00 C ATOM 1959 C VAL A 127 6.395 6.680 -10.761 1.00 0.00 C ATOM 1960 O VAL A 127 7.460 6.194 -11.135 1.00 0.00 O ATOM 1961 CB VAL A 127 7.526 8.588 -9.628 1.00 0.00 C ATOM 1962 CG1 VAL A 127 7.283 9.789 -8.729 1.00 0.00 C ATOM 1963 CG2 VAL A 127 8.835 7.900 -9.272 1.00 0.00 C ATOM 0 H VAL A 127 6.615 5.827 -8.470 1.00 0.00 H new ATOM 0 HA VAL A 127 5.416 8.166 -9.535 1.00 0.00 H new ATOM 0 HB VAL A 127 7.601 8.944 -10.655 1.00 0.00 H new ATOM 0 HG11 VAL A 127 8.127 10.475 -8.802 1.00 0.00 H new ATOM 0 HG12 VAL A 127 6.373 10.300 -9.043 1.00 0.00 H new ATOM 0 HG13 VAL A 127 7.175 9.455 -7.697 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.653 8.618 -9.336 1.00 0.00 H new ATOM 0 HG22 VAL A 127 8.775 7.507 -8.257 1.00 0.00 H new ATOM 0 HG23 VAL A 127 9.016 7.081 -9.968 1.00 0.00 H new ATOM 1973 N SER A 128 5.230 6.451 -11.368 1.00 0.00 N ATOM 1974 CA SER A 128 5.110 5.591 -12.554 1.00 0.00 C ATOM 1975 C SER A 128 4.726 4.157 -12.185 1.00 0.00 C ATOM 1976 O SER A 128 5.203 3.594 -11.192 1.00 0.00 O ATOM 1977 CB SER A 128 6.406 5.581 -13.377 1.00 0.00 C ATOM 1978 OG SER A 128 7.274 4.540 -12.956 1.00 0.00 O ATOM 0 H SER A 128 4.345 6.852 -11.056 1.00 0.00 H new ATOM 0 HA SER A 128 4.310 6.016 -13.161 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.168 5.455 -14.433 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.911 6.542 -13.277 1.00 0.00 H new ATOM 0 HG SER A 128 7.665 4.771 -12.088 1.00 0.00 H new ATOM 1984 N ALA A 129 3.868 3.569 -13.015 1.00 0.00 N ATOM 1985 CA ALA A 129 3.414 2.200 -12.816 1.00 0.00 C ATOM 1986 C ALA A 129 4.560 1.208 -13.000 1.00 0.00 C ATOM 1987 O ALA A 129 4.451 0.043 -12.620 1.00 0.00 O ATOM 1988 CB ALA A 129 2.277 1.879 -13.776 1.00 0.00 C ATOM 0 H ALA A 129 3.472 4.025 -13.837 1.00 0.00 H new ATOM 0 HA ALA A 129 3.050 2.108 -11.793 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.946 0.853 -13.618 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.445 2.560 -13.596 1.00 0.00 H new ATOM 0 HB3 ALA A 129 2.624 1.994 -14.803 1.00 0.00 H new ATOM 1994 N GLU A 130 5.655 1.671 -13.593 1.00 0.00 N ATOM 1995 CA GLU A 130 6.811 0.818 -13.832 1.00 0.00 C ATOM 1996 C GLU A 130 7.429 0.335 -12.521 1.00 0.00 C ATOM 1997 O GLU A 130 7.785 -0.840 -12.382 1.00 0.00 O ATOM 1998 CB GLU A 130 7.858 1.566 -14.660 1.00 0.00 C ATOM 1999 CG GLU A 130 8.339 0.791 -15.874 1.00 0.00 C ATOM 2000 CD GLU A 130 7.250 0.595 -16.912 1.00 0.00 C ATOM 2001 OE1 GLU A 130 6.853 1.592 -17.550 1.00 0.00 O ATOM 2002 OE2 GLU A 130 6.795 -0.555 -17.087 1.00 0.00 O ATOM 0 H GLU A 130 5.765 2.632 -13.917 1.00 0.00 H new ATOM 0 HA GLU A 130 6.471 -0.056 -14.387 1.00 0.00 H new ATOM 0 HB2 GLU A 130 7.438 2.516 -14.989 1.00 0.00 H new ATOM 0 HB3 GLU A 130 8.713 1.798 -14.025 1.00 0.00 H new ATOM 0 HG2 GLU A 130 9.178 1.319 -16.328 1.00 0.00 H new ATOM 0 HG3 GLU A 130 8.711 -0.183 -15.555 1.00 0.00 H new ATOM 2009 N GLN A 131 7.563 1.231 -11.551 1.00 0.00 N ATOM 2010 CA GLN A 131 8.146 0.838 -10.285 1.00 0.00 C ATOM 2011 C GLN A 131 7.137 0.112 -9.413 1.00 0.00 C ATOM 2012 O GLN A 131 7.482 -0.839 -8.713 1.00 0.00 O ATOM 2013 CB GLN A 131 8.727 2.014 -9.522 1.00 0.00 C ATOM 2014 CG GLN A 131 7.808 3.218 -9.408 1.00 0.00 C ATOM 2015 CD GLN A 131 8.556 4.471 -8.998 1.00 0.00 C ATOM 2016 OE1 GLN A 131 9.220 5.107 -9.817 1.00 0.00 O ATOM 2017 NE2 GLN A 131 8.460 4.826 -7.723 1.00 0.00 N ATOM 0 H GLN A 131 7.282 2.209 -11.617 1.00 0.00 H new ATOM 0 HA GLN A 131 8.964 0.159 -10.527 1.00 0.00 H new ATOM 0 HB2 GLN A 131 8.993 1.682 -8.519 1.00 0.00 H new ATOM 0 HB3 GLN A 131 9.651 2.325 -10.010 1.00 0.00 H new ATOM 0 HG2 GLN A 131 7.314 3.388 -10.365 1.00 0.00 H new ATOM 0 HG3 GLN A 131 7.026 3.008 -8.678 1.00 0.00 H new ATOM 0 HE21 GLN A 131 7.898 4.269 -7.079 1.00 0.00 H new ATOM 0 HE22 GLN A 131 8.948 5.656 -7.387 1.00 0.00 H new ATOM 2026 N VAL A 132 5.887 0.557 -9.454 1.00 0.00 N ATOM 2027 CA VAL A 132 4.849 -0.073 -8.655 1.00 0.00 C ATOM 2028 C VAL A 132 4.793 -1.572 -8.930 1.00 0.00 C ATOM 2029 O VAL A 132 4.422 -2.356 -8.056 1.00 0.00 O ATOM 2030 CB VAL A 132 3.462 0.558 -8.902 1.00 0.00 C ATOM 2031 CG1 VAL A 132 3.573 2.071 -9.027 1.00 0.00 C ATOM 2032 CG2 VAL A 132 2.791 -0.048 -10.128 1.00 0.00 C ATOM 0 H VAL A 132 5.572 1.342 -10.025 1.00 0.00 H new ATOM 0 HA VAL A 132 5.109 0.092 -7.609 1.00 0.00 H new ATOM 0 HB VAL A 132 2.833 0.336 -8.040 1.00 0.00 H new ATOM 0 HG11 VAL A 132 2.584 2.495 -9.201 1.00 0.00 H new ATOM 0 HG12 VAL A 132 3.988 2.483 -8.107 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.227 2.320 -9.863 1.00 0.00 H new ATOM 0 HG21 VAL A 132 1.816 0.416 -10.276 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.413 0.126 -11.006 1.00 0.00 H new ATOM 0 HG23 VAL A 132 2.663 -1.120 -9.980 1.00 0.00 H new ATOM 2042 N VAL A 133 5.174 -1.965 -10.142 1.00 0.00 N ATOM 2043 CA VAL A 133 5.170 -3.371 -10.507 1.00 0.00 C ATOM 2044 C VAL A 133 6.409 -4.071 -9.971 1.00 0.00 C ATOM 2045 O VAL A 133 6.324 -5.216 -9.537 1.00 0.00 O ATOM 2046 CB VAL A 133 5.077 -3.591 -12.029 1.00 0.00 C ATOM 2047 CG1 VAL A 133 6.257 -2.955 -12.733 1.00 0.00 C ATOM 2048 CG2 VAL A 133 5.000 -5.079 -12.351 1.00 0.00 C ATOM 0 H VAL A 133 5.486 -1.333 -10.880 1.00 0.00 H new ATOM 0 HA VAL A 133 4.277 -3.801 -10.054 1.00 0.00 H new ATOM 0 HB VAL A 133 4.166 -3.114 -12.389 1.00 0.00 H new ATOM 0 HG11 VAL A 133 6.173 -3.121 -13.807 1.00 0.00 H new ATOM 0 HG12 VAL A 133 6.267 -1.884 -12.531 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.182 -3.401 -12.368 1.00 0.00 H new ATOM 0 HG21 VAL A 133 4.935 -5.215 -13.431 1.00 0.00 H new ATOM 0 HG22 VAL A 133 5.893 -5.579 -11.976 1.00 0.00 H new ATOM 0 HG23 VAL A 133 4.117 -5.509 -11.877 1.00 0.00 H new ATOM 2058 N GLN A 134 7.561 -3.388 -9.973 1.00 0.00 N ATOM 2059 CA GLN A 134 8.771 -4.016 -9.443 1.00 0.00 C ATOM 2060 C GLN A 134 8.670 -4.095 -7.929 1.00 0.00 C ATOM 2061 O GLN A 134 9.305 -4.935 -7.290 1.00 0.00 O ATOM 2062 CB GLN A 134 10.046 -3.275 -9.861 1.00 0.00 C ATOM 2063 CG GLN A 134 9.879 -1.777 -9.990 1.00 0.00 C ATOM 2064 CD GLN A 134 11.151 -1.084 -10.439 1.00 0.00 C ATOM 2065 OE1 GLN A 134 12.176 -1.141 -9.761 1.00 0.00 O ATOM 2066 NE2 GLN A 134 11.090 -0.425 -11.589 1.00 0.00 N ATOM 0 H GLN A 134 7.678 -2.437 -10.322 1.00 0.00 H new ATOM 0 HA GLN A 134 8.843 -5.019 -9.864 1.00 0.00 H new ATOM 0 HB2 GLN A 134 10.828 -3.480 -9.130 1.00 0.00 H new ATOM 0 HB3 GLN A 134 10.389 -3.675 -10.815 1.00 0.00 H new ATOM 0 HG2 GLN A 134 9.083 -1.564 -10.703 1.00 0.00 H new ATOM 0 HG3 GLN A 134 9.565 -1.366 -9.030 1.00 0.00 H new ATOM 0 HE21 GLN A 134 10.219 -0.404 -12.119 1.00 0.00 H new ATOM 0 HE22 GLN A 134 11.914 0.060 -11.943 1.00 0.00 H new ATOM 2075 N GLY A 135 7.824 -3.237 -7.368 1.00 0.00 N ATOM 2076 CA GLY A 135 7.597 -3.236 -5.942 1.00 0.00 C ATOM 2077 C GLY A 135 6.534 -4.248 -5.575 1.00 0.00 C ATOM 2078 O GLY A 135 6.533 -4.790 -4.470 1.00 0.00 O ATOM 0 H GLY A 135 7.289 -2.538 -7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 135 8.525 -3.469 -5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 135 7.289 -2.242 -5.617 1.00 0.00 H new ATOM 2082 N MET A 136 5.640 -4.522 -6.527 1.00 0.00 N ATOM 2083 CA MET A 136 4.583 -5.500 -6.316 1.00 0.00 C ATOM 2084 C MET A 136 5.165 -6.901 -6.437 1.00 0.00 C ATOM 2085 O MET A 136 4.899 -7.782 -5.617 1.00 0.00 O ATOM 2086 CB MET A 136 3.463 -5.310 -7.341 1.00 0.00 C ATOM 2087 CG MET A 136 2.105 -5.788 -6.853 1.00 0.00 C ATOM 2088 SD MET A 136 0.749 -4.765 -7.456 1.00 0.00 S ATOM 2089 CE MET A 136 0.550 -5.410 -9.116 1.00 0.00 C ATOM 0 H MET A 136 5.631 -4.080 -7.446 1.00 0.00 H new ATOM 0 HA MET A 136 4.163 -5.361 -5.320 1.00 0.00 H new ATOM 0 HB2 MET A 136 3.395 -4.254 -7.601 1.00 0.00 H new ATOM 0 HB3 MET A 136 3.722 -5.847 -8.253 1.00 0.00 H new ATOM 0 HG2 MET A 136 1.949 -6.817 -7.176 1.00 0.00 H new ATOM 0 HG3 MET A 136 2.096 -5.791 -5.763 1.00 0.00 H new ATOM 0 HE1 MET A 136 -0.459 -5.198 -9.470 1.00 0.00 H new ATOM 0 HE2 MET A 136 1.274 -4.937 -9.779 1.00 0.00 H new ATOM 0 HE3 MET A 136 0.714 -6.488 -9.110 1.00 0.00 H new ATOM 2099 N LYS A 137 5.981 -7.081 -7.468 1.00 0.00 N ATOM 2100 CA LYS A 137 6.636 -8.351 -7.727 1.00 0.00 C ATOM 2101 C LYS A 137 7.808 -8.567 -6.767 1.00 0.00 C ATOM 2102 O LYS A 137 8.307 -9.682 -6.627 1.00 0.00 O ATOM 2103 CB LYS A 137 7.096 -8.413 -9.187 1.00 0.00 C ATOM 2104 CG LYS A 137 8.143 -7.376 -9.566 1.00 0.00 C ATOM 2105 CD LYS A 137 8.028 -6.931 -11.030 1.00 0.00 C ATOM 2106 CE LYS A 137 7.389 -7.984 -11.928 1.00 0.00 C ATOM 2107 NZ LYS A 137 5.916 -7.802 -12.053 1.00 0.00 N ATOM 0 H LYS A 137 6.205 -6.351 -8.145 1.00 0.00 H new ATOM 0 HA LYS A 137 5.921 -9.156 -7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 137 7.499 -9.406 -9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 137 6.228 -8.286 -9.833 1.00 0.00 H new ATOM 0 HG2 LYS A 137 8.040 -6.507 -8.916 1.00 0.00 H new ATOM 0 HG3 LYS A 137 9.137 -7.788 -9.392 1.00 0.00 H new ATOM 0 HD2 LYS A 137 7.440 -6.015 -11.080 1.00 0.00 H new ATOM 0 HD3 LYS A 137 9.021 -6.693 -11.410 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.844 -7.939 -12.918 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.598 -8.976 -11.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 5.449 -8.731 -12.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 5.569 -7.224 -11.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 5.700 -7.324 -12.951 1.00 0.00 H new ATOM 2121 N GLU A 138 8.226 -7.495 -6.091 1.00 0.00 N ATOM 2122 CA GLU A 138 9.318 -7.578 -5.128 1.00 0.00 C ATOM 2123 C GLU A 138 8.854 -8.325 -3.887 1.00 0.00 C ATOM 2124 O GLU A 138 9.343 -9.411 -3.579 1.00 0.00 O ATOM 2125 CB GLU A 138 9.805 -6.177 -4.745 1.00 0.00 C ATOM 2126 CG GLU A 138 11.207 -5.866 -5.247 1.00 0.00 C ATOM 2127 CD GLU A 138 12.272 -6.144 -4.204 1.00 0.00 C ATOM 2128 OE1 GLU A 138 12.574 -7.332 -3.967 1.00 0.00 O ATOM 2129 OE2 GLU A 138 12.805 -5.174 -3.625 1.00 0.00 O ATOM 0 H GLU A 138 7.824 -6.563 -6.194 1.00 0.00 H new ATOM 0 HA GLU A 138 10.147 -8.119 -5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 138 9.112 -5.437 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 138 9.785 -6.078 -3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 138 11.411 -6.461 -6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 138 11.259 -4.819 -5.545 1.00 0.00 H new ATOM 2136 N ALA A 139 7.882 -7.743 -3.196 1.00 0.00 N ATOM 2137 CA ALA A 139 7.321 -8.359 -2.003 1.00 0.00 C ATOM 2138 C ALA A 139 6.683 -9.702 -2.354 1.00 0.00 C ATOM 2139 O ALA A 139 6.475 -10.549 -1.491 1.00 0.00 O ATOM 2140 CB ALA A 139 6.296 -7.435 -1.365 1.00 0.00 C ATOM 0 H ALA A 139 7.466 -6.845 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 139 8.124 -8.532 -1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 139 5.884 -7.908 -0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 139 6.775 -6.496 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 139 5.493 -7.237 -2.075 1.00 0.00 H new ATOM 2146 N GLN A 140 6.376 -9.888 -3.634 1.00 0.00 N ATOM 2147 CA GLN A 140 5.766 -11.125 -4.100 1.00 0.00 C ATOM 2148 C GLN A 140 6.589 -12.355 -3.707 1.00 0.00 C ATOM 2149 O GLN A 140 6.102 -13.481 -3.793 1.00 0.00 O ATOM 2150 CB GLN A 140 5.591 -11.086 -5.619 1.00 0.00 C ATOM 2151 CG GLN A 140 4.176 -10.749 -6.059 1.00 0.00 C ATOM 2152 CD GLN A 140 3.555 -11.838 -6.911 1.00 0.00 C ATOM 2153 OE1 GLN A 140 3.669 -11.823 -8.137 1.00 0.00 O ATOM 2154 NE2 GLN A 140 2.896 -12.789 -6.263 1.00 0.00 N ATOM 0 H GLN A 140 6.540 -9.197 -4.366 1.00 0.00 H new ATOM 0 HA GLN A 140 4.792 -11.208 -3.618 1.00 0.00 H new ATOM 0 HB2 GLN A 140 6.278 -10.350 -6.037 1.00 0.00 H new ATOM 0 HB3 GLN A 140 5.871 -12.054 -6.034 1.00 0.00 H new ATOM 0 HG2 GLN A 140 3.555 -10.584 -5.178 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.187 -9.815 -6.621 1.00 0.00 H new ATOM 0 HE21 GLN A 140 2.828 -12.760 -5.246 1.00 0.00 H new ATOM 0 HE22 GLN A 140 2.457 -13.550 -6.782 1.00 0.00 H new ATOM 2163 N GLU A 141 7.840 -12.143 -3.302 1.00 0.00 N ATOM 2164 CA GLU A 141 8.714 -13.251 -2.930 1.00 0.00 C ATOM 2165 C GLU A 141 9.114 -13.209 -1.452 1.00 0.00 C ATOM 2166 O GLU A 141 9.062 -14.228 -0.761 1.00 0.00 O ATOM 2167 CB GLU A 141 9.964 -13.239 -3.823 1.00 0.00 C ATOM 2168 CG GLU A 141 11.235 -13.704 -3.128 1.00 0.00 C ATOM 2169 CD GLU A 141 12.442 -13.681 -4.045 1.00 0.00 C ATOM 2170 OE1 GLU A 141 12.809 -12.584 -4.516 1.00 0.00 O ATOM 2171 OE2 GLU A 141 13.023 -14.759 -4.291 1.00 0.00 O ATOM 0 H GLU A 141 8.268 -11.220 -3.224 1.00 0.00 H new ATOM 0 HA GLU A 141 8.159 -14.177 -3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.784 -13.876 -4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.118 -12.227 -4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 141 11.427 -13.067 -2.265 1.00 0.00 H new ATOM 0 HG3 GLU A 141 11.089 -14.716 -2.751 1.00 0.00 H new ATOM 2178 N ARG A 142 9.543 -12.044 -0.979 1.00 0.00 N ATOM 2179 CA ARG A 142 9.985 -11.900 0.409 1.00 0.00 C ATOM 2180 C ARG A 142 8.829 -11.623 1.369 1.00 0.00 C ATOM 2181 O ARG A 142 8.989 -11.734 2.584 1.00 0.00 O ATOM 2182 CB ARG A 142 11.017 -10.777 0.513 1.00 0.00 C ATOM 2183 CG ARG A 142 10.464 -9.413 0.142 1.00 0.00 C ATOM 2184 CD ARG A 142 11.546 -8.346 0.171 1.00 0.00 C ATOM 2185 NE ARG A 142 12.690 -8.702 -0.668 1.00 0.00 N ATOM 2186 CZ ARG A 142 13.736 -9.409 -0.241 1.00 0.00 C ATOM 2187 NH1 ARG A 142 13.790 -9.851 1.009 1.00 0.00 N ATOM 2188 NH2 ARG A 142 14.733 -9.680 -1.073 1.00 0.00 N ATOM 0 H ARG A 142 9.595 -11.188 -1.531 1.00 0.00 H new ATOM 0 HA ARG A 142 10.431 -12.851 0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 142 11.401 -10.740 1.532 1.00 0.00 H new ATOM 0 HB3 ARG A 142 11.861 -11.008 -0.137 1.00 0.00 H new ATOM 0 HG2 ARG A 142 10.022 -9.457 -0.853 1.00 0.00 H new ATOM 0 HG3 ARG A 142 9.666 -9.142 0.834 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.129 -7.398 -0.168 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.881 -8.198 1.197 1.00 0.00 H new ATOM 0 HE ARG A 142 12.687 -8.390 -1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 142 13.026 -9.651 1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 142 14.596 -10.391 1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 142 14.698 -9.347 -2.037 1.00 0.00 H new ATOM 0 HH22 ARG A 142 15.535 -10.221 -0.749 1.00 0.00 H new ATOM 2202 N LEU A 143 7.676 -11.250 0.832 1.00 0.00 N ATOM 2203 CA LEU A 143 6.516 -10.950 1.664 1.00 0.00 C ATOM 2204 C LEU A 143 5.508 -12.095 1.663 1.00 0.00 C ATOM 2205 O LEU A 143 5.043 -12.523 2.720 1.00 0.00 O ATOM 2206 CB LEU A 143 5.848 -9.659 1.188 1.00 0.00 C ATOM 2207 CG LEU A 143 6.109 -8.438 2.065 1.00 0.00 C ATOM 2208 CD1 LEU A 143 5.452 -8.603 3.428 1.00 0.00 C ATOM 2209 CD2 LEU A 143 7.607 -8.205 2.210 1.00 0.00 C ATOM 0 H LEU A 143 7.518 -11.148 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 143 6.867 -10.820 2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 143 6.191 -9.441 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 143 4.772 -9.824 1.131 1.00 0.00 H new ATOM 0 HG LEU A 143 5.669 -7.564 1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 143 5.651 -7.721 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 143 4.376 -8.721 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 143 5.858 -9.485 3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 143 7.780 -7.331 2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 143 8.068 -9.079 2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 143 8.046 -8.038 1.226 1.00 0.00 H new ATOM 2221 N THR A 144 5.169 -12.585 0.475 1.00 0.00 N ATOM 2222 CA THR A 144 4.213 -13.677 0.341 1.00 0.00 C ATOM 2223 C THR A 144 4.548 -14.828 1.287 1.00 0.00 C ATOM 2224 O THR A 144 3.665 -15.582 1.699 1.00 0.00 O ATOM 2225 CB THR A 144 4.197 -14.174 -1.100 1.00 0.00 C ATOM 2226 OG1 THR A 144 5.513 -14.414 -1.564 1.00 0.00 O ATOM 2227 CG2 THR A 144 3.538 -13.206 -2.061 1.00 0.00 C ATOM 0 H THR A 144 5.543 -12.242 -0.410 1.00 0.00 H new ATOM 0 HA THR A 144 3.226 -13.300 0.608 1.00 0.00 H new ATOM 0 HB THR A 144 3.613 -15.094 -1.081 1.00 0.00 H new ATOM 0 HG1 THR A 144 5.530 -14.361 -2.542 1.00 0.00 H new ATOM 0 HG21 THR A 144 3.561 -13.621 -3.069 1.00 0.00 H new ATOM 0 HG22 THR A 144 2.504 -13.042 -1.760 1.00 0.00 H new ATOM 0 HG23 THR A 144 4.075 -12.258 -2.047 1.00 0.00 H new