USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 957 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 119 SER OG : rot -167:sc= 0.00816 USER MOD Set 1.2: A 129 MET CE :methyl 165:sc= -0.137 (180deg=-0.637) USER MOD Set 2.1: A 77 HIS : no HD1:sc= -0.994 K(o=-2,f=-5.6!) USER MOD Set 2.2: A 84 SER OG : rot 170:sc= 0.00407 USER MOD Set 2.3: A 108 ASN : amide:sc= -1.02 K(o=-2,f=-6.6!) USER MOD Set 3.1: A 76 HIS : no HE2:sc= 2.36 K(o=3.7,f=-8.1!) USER MOD Set 3.2: A 114 THR OG1 : rot 112:sc= 1.33 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0766 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 168:sc= -1.47 USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= -2.21! (180deg=-3.44!) USER MOD Single : A 67 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 68 SER OG : rot -160:sc= 0 USER MOD Single : A 69 ASN : amide:sc=-0.00353 X(o=-0.0035,f=-0.12) USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= 1.15 (180deg=0.677) USER MOD Single : A 73 MET CE :methyl 135:sc= -1.77 (180deg=-2.2) USER MOD Single : A 81 CYS SG : rot -11:sc= -1.36 USER MOD Single : A 83 HIS : no HD1:sc= 1.09 K(o=1.1,f=-4.6!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 169:sc=-0.00468 (180deg=-0.127) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.146 F(o=-1.9,f=-0.15) USER MOD Single : A 95 LYS NZ :NH3+ -167:sc= -0.0339 (180deg=-0.266) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -164:sc= -0.0979 (180deg=-0.403) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot -164:sc= 0.817 USER MOD Single : A 116 LYS NZ :NH3+ 153:sc= 1.21 (180deg=1.07) USER MOD Single : A 117 HIS : no HE2:sc= 1.05 K(o=1,f=-3.8!) USER MOD Single : A 123 GLN : amide:sc= -0.402 K(o=-0.4,f=-1.1) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 98:sc= 1.24 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 SER OG : rot 180:sc= 0.0764 USER MOD Single : A 147 ASN : amide:sc= -0.137 K(o=-0.14,f=-4.2!) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 157 THR OG1 : rot -108:sc= 1.3 USER MOD Single : A 163 ASN : amide:sc= -0.597 X(o=-0.6,f=-0.7) USER MOD Single : A 164 MET CE :methyl -153:sc= -0.925 (180deg=-3.1!) USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 286 N TRP A 54 -16.127 -0.271 3.369 1.00 0.00 N ATOM 287 CA TRP A 54 -17.238 0.613 3.708 1.00 0.00 C ATOM 288 C TRP A 54 -16.843 1.596 4.799 1.00 0.00 C ATOM 289 O TRP A 54 -16.454 1.190 5.895 1.00 0.00 O ATOM 290 CB TRP A 54 -18.463 -0.188 4.149 1.00 0.00 C ATOM 291 CG TRP A 54 -19.178 -0.864 3.023 1.00 0.00 C ATOM 292 CD1 TRP A 54 -19.079 -2.171 2.651 1.00 0.00 C ATOM 293 CD2 TRP A 54 -20.108 -0.258 2.119 1.00 0.00 C ATOM 294 NE1 TRP A 54 -19.893 -2.416 1.573 1.00 0.00 N ATOM 295 CE2 TRP A 54 -20.536 -1.258 1.229 1.00 0.00 C ATOM 296 CE3 TRP A 54 -20.621 1.035 1.979 1.00 0.00 C ATOM 297 CZ2 TRP A 54 -21.452 -1.007 0.213 1.00 0.00 C ATOM 298 CZ3 TRP A 54 -21.529 1.283 0.971 1.00 0.00 C ATOM 299 CH2 TRP A 54 -21.938 0.267 0.100 1.00 0.00 C ATOM 0 HA TRP A 54 -17.493 1.174 2.809 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -18.152 -0.940 4.874 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -19.157 0.479 4.660 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -18.452 -2.906 3.133 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -20.001 -3.315 1.104 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -20.312 1.825 2.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -21.768 -1.789 -0.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -21.931 2.278 0.852 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -22.652 0.493 -0.678 1.00 0.00 H new ATOM 310 N THR A 55 -16.969 2.888 4.487 1.00 0.00 N ATOM 311 CA THR A 55 -16.623 3.967 5.410 1.00 0.00 C ATOM 312 C THR A 55 -15.116 3.992 5.684 1.00 0.00 C ATOM 313 O THR A 55 -14.628 3.374 6.631 1.00 0.00 O ATOM 314 CB THR A 55 -17.406 3.856 6.742 1.00 0.00 C ATOM 315 OG1 THR A 55 -18.799 3.621 6.460 1.00 0.00 O ATOM 316 CG2 THR A 55 -17.270 5.136 7.558 1.00 0.00 C ATOM 0 H THR A 55 -17.315 3.214 3.585 1.00 0.00 H new ATOM 0 HA THR A 55 -16.908 4.903 4.930 1.00 0.00 H new ATOM 0 HB THR A 55 -16.994 3.027 7.318 1.00 0.00 H new ATOM 0 HG1 THR A 55 -19.296 3.549 7.302 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.828 5.035 8.489 1.00 0.00 H new ATOM 0 HG22 THR A 55 -16.218 5.314 7.783 1.00 0.00 H new ATOM 0 HG23 THR A 55 -17.666 5.975 6.987 1.00 0.00 H new ATOM 324 N GLN A 56 -14.381 4.697 4.836 1.00 0.00 N ATOM 325 CA GLN A 56 -12.940 4.772 4.972 1.00 0.00 C ATOM 326 C GLN A 56 -12.510 5.943 5.861 1.00 0.00 C ATOM 327 O GLN A 56 -12.289 7.063 5.391 1.00 0.00 O ATOM 328 CB GLN A 56 -12.252 4.829 3.596 1.00 0.00 C ATOM 329 CG GLN A 56 -12.762 5.930 2.678 1.00 0.00 C ATOM 330 CD GLN A 56 -12.065 5.934 1.336 1.00 0.00 C ATOM 331 OE1 GLN A 56 -11.036 6.589 1.158 1.00 0.00 O ATOM 332 NE2 GLN A 56 -12.617 5.208 0.385 1.00 0.00 N ATOM 0 H GLN A 56 -14.761 5.223 4.049 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.615 3.858 5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.181 4.966 3.745 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.384 3.868 3.098 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.834 5.805 2.527 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.619 6.897 3.161 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.469 4.681 0.575 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.192 5.173 -0.542 1.00 0.00 H new ATOM 341 N THR A 57 -12.439 5.676 7.148 1.00 0.00 N ATOM 342 CA THR A 57 -11.989 6.648 8.121 1.00 0.00 C ATOM 343 C THR A 57 -11.003 5.979 9.067 1.00 0.00 C ATOM 344 O THR A 57 -10.818 4.767 8.996 1.00 0.00 O ATOM 345 CB THR A 57 -13.170 7.234 8.932 1.00 0.00 C ATOM 346 OG1 THR A 57 -13.910 6.180 9.553 1.00 0.00 O ATOM 347 CG2 THR A 57 -14.097 8.045 8.038 1.00 0.00 C ATOM 0 H THR A 57 -12.693 4.774 7.550 1.00 0.00 H new ATOM 0 HA THR A 57 -11.511 7.471 7.590 1.00 0.00 H new ATOM 0 HB THR A 57 -12.759 7.893 9.697 1.00 0.00 H new ATOM 0 HG1 THR A 57 -14.654 6.560 10.065 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.918 8.445 8.633 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.541 8.867 7.588 1.00 0.00 H new ATOM 0 HG23 THR A 57 -14.497 7.404 7.252 1.00 0.00 H new ATOM 355 N TYR A 58 -10.380 6.746 9.947 1.00 0.00 N ATOM 356 CA TYR A 58 -9.404 6.183 10.871 1.00 0.00 C ATOM 357 C TYR A 58 -10.075 5.216 11.845 1.00 0.00 C ATOM 358 O TYR A 58 -9.728 4.032 11.888 1.00 0.00 O ATOM 359 CB TYR A 58 -8.666 7.298 11.626 1.00 0.00 C ATOM 360 CG TYR A 58 -7.681 6.795 12.657 1.00 0.00 C ATOM 361 CD1 TYR A 58 -6.624 5.970 12.293 1.00 0.00 C ATOM 362 CD2 TYR A 58 -7.802 7.153 13.993 1.00 0.00 C ATOM 363 CE1 TYR A 58 -5.720 5.516 13.231 1.00 0.00 C ATOM 364 CE2 TYR A 58 -6.903 6.702 14.936 1.00 0.00 C ATOM 365 CZ TYR A 58 -5.864 5.885 14.552 1.00 0.00 C ATOM 366 OH TYR A 58 -4.960 5.437 15.490 1.00 0.00 O ATOM 0 H TYR A 58 -10.529 7.751 10.042 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.670 5.623 10.292 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.136 7.921 10.906 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.399 7.935 12.120 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.508 5.679 11.259 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.614 7.796 14.299 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.904 4.875 12.932 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.014 6.989 15.971 1.00 0.00 H new ATOM 0 HH TYR A 58 -5.203 5.788 16.372 1.00 0.00 H new ATOM 376 N GLU A 59 -11.013 5.733 12.638 1.00 0.00 N ATOM 377 CA GLU A 59 -11.779 4.926 13.589 1.00 0.00 C ATOM 378 C GLU A 59 -12.326 3.645 12.941 1.00 0.00 C ATOM 379 O GLU A 59 -12.078 2.539 13.429 1.00 0.00 O ATOM 380 CB GLU A 59 -12.936 5.764 14.141 1.00 0.00 C ATOM 381 CG GLU A 59 -13.591 5.188 15.385 1.00 0.00 C ATOM 382 CD GLU A 59 -12.656 5.171 16.573 1.00 0.00 C ATOM 383 OE1 GLU A 59 -12.256 6.258 17.034 1.00 0.00 O ATOM 384 OE2 GLU A 59 -12.322 4.072 17.060 1.00 0.00 O ATOM 0 H GLU A 59 -11.264 6.722 12.640 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.111 4.626 14.396 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.568 6.764 14.369 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.693 5.873 13.364 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.476 5.775 15.631 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.929 4.173 15.177 1.00 0.00 H new ATOM 391 N ALA A 60 -13.059 3.809 11.845 1.00 0.00 N ATOM 392 CA ALA A 60 -13.667 2.677 11.140 1.00 0.00 C ATOM 393 C ALA A 60 -12.623 1.669 10.658 1.00 0.00 C ATOM 394 O ALA A 60 -12.834 0.457 10.752 1.00 0.00 O ATOM 395 CB ALA A 60 -14.513 3.161 9.977 1.00 0.00 C ATOM 0 H ALA A 60 -13.249 4.717 11.421 1.00 0.00 H new ATOM 0 HA ALA A 60 -14.310 2.163 11.855 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -14.955 2.305 9.467 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -15.305 3.811 10.349 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -13.887 3.716 9.278 1.00 0.00 H new ATOM 401 N ALA A 61 -11.497 2.167 10.158 1.00 0.00 N ATOM 402 CA ALA A 61 -10.443 1.300 9.641 1.00 0.00 C ATOM 403 C ALA A 61 -9.879 0.391 10.725 1.00 0.00 C ATOM 404 O ALA A 61 -9.719 -0.807 10.512 1.00 0.00 O ATOM 405 CB ALA A 61 -9.337 2.119 9.007 1.00 0.00 C ATOM 0 H ALA A 61 -11.291 3.164 10.100 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.890 0.665 8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.562 1.453 8.628 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.745 2.706 8.184 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.907 2.789 9.752 1.00 0.00 H new ATOM 411 N LEU A 62 -9.598 0.954 11.897 1.00 0.00 N ATOM 412 CA LEU A 62 -9.047 0.167 12.999 1.00 0.00 C ATOM 413 C LEU A 62 -10.116 -0.711 13.631 1.00 0.00 C ATOM 414 O LEU A 62 -9.815 -1.717 14.279 1.00 0.00 O ATOM 415 CB LEU A 62 -8.387 1.054 14.058 1.00 0.00 C ATOM 416 CG LEU A 62 -7.064 1.722 13.658 1.00 0.00 C ATOM 417 CD1 LEU A 62 -6.462 2.451 14.848 1.00 0.00 C ATOM 418 CD2 LEU A 62 -6.073 0.698 13.115 1.00 0.00 C ATOM 0 H LEU A 62 -9.740 1.942 12.108 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.275 -0.477 12.578 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.094 1.835 14.338 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.210 0.450 14.948 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.276 2.443 12.868 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.524 2.920 14.551 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.156 3.216 15.195 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.273 1.740 15.653 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.145 1.200 12.840 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.867 -0.051 13.880 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.497 0.212 12.236 1.00 0.00 H new ATOM 430 N TYR A 63 -11.361 -0.322 13.469 1.00 0.00 N ATOM 431 CA TYR A 63 -12.467 -1.108 13.973 1.00 0.00 C ATOM 432 C TYR A 63 -12.626 -2.367 13.126 1.00 0.00 C ATOM 433 O TYR A 63 -12.863 -3.460 13.643 1.00 0.00 O ATOM 434 CB TYR A 63 -13.759 -0.287 13.952 1.00 0.00 C ATOM 435 CG TYR A 63 -14.951 -1.001 14.546 1.00 0.00 C ATOM 436 CD1 TYR A 63 -15.089 -1.128 15.919 1.00 0.00 C ATOM 437 CD2 TYR A 63 -15.940 -1.544 13.734 1.00 0.00 C ATOM 438 CE1 TYR A 63 -16.172 -1.774 16.471 1.00 0.00 C ATOM 439 CE2 TYR A 63 -17.030 -2.192 14.279 1.00 0.00 C ATOM 440 CZ TYR A 63 -17.140 -2.306 15.647 1.00 0.00 C ATOM 441 OH TYR A 63 -18.223 -2.951 16.196 1.00 0.00 O ATOM 0 H TYR A 63 -11.634 0.536 12.991 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.260 -1.394 15.004 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -13.596 0.642 14.498 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -13.988 -0.015 12.922 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -14.333 -0.712 16.568 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -15.854 -1.458 12.661 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -16.263 -1.863 17.543 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -17.792 -2.607 13.636 1.00 0.00 H new ATOM 0 HH TYR A 63 -18.813 -3.267 15.480 1.00 0.00 H new ATOM 451 N LYS A 64 -12.472 -2.202 11.823 1.00 0.00 N ATOM 452 CA LYS A 64 -12.603 -3.302 10.886 1.00 0.00 C ATOM 453 C LYS A 64 -11.349 -4.186 10.892 1.00 0.00 C ATOM 454 O LYS A 64 -11.437 -5.406 10.722 1.00 0.00 O ATOM 455 CB LYS A 64 -12.854 -2.757 9.470 1.00 0.00 C ATOM 456 CG LYS A 64 -13.140 -3.831 8.421 1.00 0.00 C ATOM 457 CD LYS A 64 -14.490 -4.508 8.652 1.00 0.00 C ATOM 458 CE LYS A 64 -15.649 -3.551 8.405 1.00 0.00 C ATOM 459 NZ LYS A 64 -16.963 -4.200 8.631 1.00 0.00 N ATOM 0 H LYS A 64 -12.254 -1.306 11.388 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.451 -3.913 11.195 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.696 -2.066 9.504 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.983 -2.182 9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.124 -3.382 7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.349 -4.581 8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.583 -5.370 7.991 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.539 -4.883 9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.553 -2.688 9.064 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.600 -3.178 7.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.724 -3.514 8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.066 -5.009 7.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.021 -4.533 9.615 1.00 0.00 H new ATOM 473 N SER A 65 -10.193 -3.570 11.122 1.00 0.00 N ATOM 474 CA SER A 65 -8.917 -4.278 11.074 1.00 0.00 C ATOM 475 C SER A 65 -8.823 -5.381 12.127 1.00 0.00 C ATOM 476 O SER A 65 -8.350 -6.469 11.838 1.00 0.00 O ATOM 477 CB SER A 65 -7.748 -3.300 11.214 1.00 0.00 C ATOM 478 OG SER A 65 -7.826 -2.579 12.425 1.00 0.00 O ATOM 0 H SER A 65 -10.114 -2.578 11.344 1.00 0.00 H new ATOM 0 HA SER A 65 -8.859 -4.760 10.098 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.806 -3.847 11.174 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.749 -2.606 10.374 1.00 0.00 H new ATOM 0 HG SER A 65 -6.980 -2.109 12.581 1.00 0.00 H new ATOM 484 N LYS A 66 -9.265 -5.100 13.343 1.00 0.00 N ATOM 485 CA LYS A 66 -9.199 -6.100 14.405 1.00 0.00 C ATOM 486 C LYS A 66 -10.372 -7.080 14.343 1.00 0.00 C ATOM 487 O LYS A 66 -10.297 -8.181 14.876 1.00 0.00 O ATOM 488 CB LYS A 66 -9.092 -5.432 15.794 1.00 0.00 C ATOM 489 CG LYS A 66 -10.315 -4.619 16.228 1.00 0.00 C ATOM 490 CD LYS A 66 -11.402 -5.485 16.878 1.00 0.00 C ATOM 491 CE LYS A 66 -11.066 -5.872 18.326 1.00 0.00 C ATOM 492 NZ LYS A 66 -9.889 -6.782 18.440 1.00 0.00 N ATOM 0 H LYS A 66 -9.667 -4.204 13.620 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.292 -6.682 14.245 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.910 -6.207 16.538 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.221 -4.776 15.797 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.002 -3.847 16.931 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.733 -4.109 15.360 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.349 -4.945 16.861 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.541 -6.390 16.287 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.872 -4.966 18.900 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.934 -6.355 18.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.914 -7.269 19.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.919 -7.486 17.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.013 -6.227 18.366 1.00 0.00 H new ATOM 506 N THR A 67 -11.453 -6.663 13.712 1.00 0.00 N ATOM 507 CA THR A 67 -12.631 -7.507 13.601 1.00 0.00 C ATOM 508 C THR A 67 -12.500 -8.538 12.470 1.00 0.00 C ATOM 509 O THR A 67 -12.720 -9.727 12.682 1.00 0.00 O ATOM 510 CB THR A 67 -13.911 -6.668 13.411 1.00 0.00 C ATOM 511 OG1 THR A 67 -14.018 -5.711 14.479 1.00 0.00 O ATOM 512 CG2 THR A 67 -15.146 -7.559 13.411 1.00 0.00 C ATOM 0 H THR A 67 -11.542 -5.748 13.269 1.00 0.00 H new ATOM 0 HA THR A 67 -12.710 -8.052 14.542 1.00 0.00 H new ATOM 0 HB THR A 67 -13.850 -6.154 12.452 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.361 -4.996 14.345 1.00 0.00 H new ATOM 0 HG21 THR A 67 -16.037 -6.946 13.276 1.00 0.00 H new ATOM 0 HG22 THR A 67 -15.074 -8.280 12.597 1.00 0.00 H new ATOM 0 HG23 THR A 67 -15.212 -8.090 14.361 1.00 0.00 H new ATOM 520 N SER A 68 -12.127 -8.082 11.283 1.00 0.00 N ATOM 521 CA SER A 68 -12.010 -8.970 10.131 1.00 0.00 C ATOM 522 C SER A 68 -10.551 -9.353 9.881 1.00 0.00 C ATOM 523 O SER A 68 -10.241 -10.058 8.921 1.00 0.00 O ATOM 524 CB SER A 68 -12.582 -8.280 8.896 1.00 0.00 C ATOM 525 OG SER A 68 -13.841 -7.695 9.186 1.00 0.00 O ATOM 0 H SER A 68 -11.900 -7.106 11.091 1.00 0.00 H new ATOM 0 HA SER A 68 -12.571 -9.881 10.337 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.890 -7.512 8.549 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.689 -9.002 8.087 1.00 0.00 H new ATOM 0 HG SER A 68 -14.331 -7.543 8.351 1.00 0.00 H new ATOM 531 N ASN A 69 -9.680 -8.895 10.775 1.00 0.00 N ATOM 532 CA ASN A 69 -8.231 -9.090 10.638 1.00 0.00 C ATOM 533 C ASN A 69 -7.780 -8.565 9.275 1.00 0.00 C ATOM 534 O ASN A 69 -7.669 -9.309 8.294 1.00 0.00 O ATOM 535 CB ASN A 69 -7.827 -10.566 10.831 1.00 0.00 C ATOM 536 CG ASN A 69 -6.335 -10.809 10.610 1.00 0.00 C ATOM 537 OD1 ASN A 69 -5.909 -11.173 9.513 1.00 0.00 O ATOM 538 ND2 ASN A 69 -5.541 -10.609 11.642 1.00 0.00 N ATOM 0 H ASN A 69 -9.952 -8.380 11.613 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.728 -8.528 11.425 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.096 -10.882 11.839 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.397 -11.187 10.140 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.536 -10.756 11.548 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.931 -10.308 12.535 1.00 0.00 H new ATOM 545 N LYS A 70 -7.582 -7.274 9.211 1.00 0.00 N ATOM 546 CA LYS A 70 -7.226 -6.622 7.972 1.00 0.00 C ATOM 547 C LYS A 70 -6.026 -5.716 8.161 1.00 0.00 C ATOM 548 O LYS A 70 -6.114 -4.704 8.859 1.00 0.00 O ATOM 549 CB LYS A 70 -8.420 -5.798 7.459 1.00 0.00 C ATOM 550 CG LYS A 70 -8.156 -5.047 6.155 1.00 0.00 C ATOM 551 CD LYS A 70 -8.143 -5.978 4.952 1.00 0.00 C ATOM 552 CE LYS A 70 -9.529 -6.540 4.670 1.00 0.00 C ATOM 553 NZ LYS A 70 -9.548 -7.403 3.468 1.00 0.00 N ATOM 0 H LYS A 70 -7.662 -6.645 10.010 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.967 -7.389 7.242 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.270 -6.465 7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.706 -5.079 8.227 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.922 -4.284 6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.199 -4.529 6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.782 -5.438 4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.446 -6.797 5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.869 -7.113 5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.232 -5.718 4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.507 -7.419 3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.883 -7.029 2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.267 -8.369 3.730 1.00 0.00 H new ATOM 567 N PRO A 71 -4.877 -6.079 7.572 1.00 0.00 N ATOM 568 CA PRO A 71 -3.693 -5.229 7.592 1.00 0.00 C ATOM 569 C PRO A 71 -3.991 -3.927 6.871 1.00 0.00 C ATOM 570 O PRO A 71 -4.525 -3.939 5.756 1.00 0.00 O ATOM 571 CB PRO A 71 -2.642 -6.044 6.818 1.00 0.00 C ATOM 572 CG PRO A 71 -3.146 -7.446 6.853 1.00 0.00 C ATOM 573 CD PRO A 71 -4.641 -7.346 6.859 1.00 0.00 C ATOM 0 HA PRO A 71 -3.363 -4.970 8.598 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.540 -5.686 5.794 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.659 -5.965 7.283 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.796 -8.008 5.987 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.786 -7.968 7.739 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.050 -7.324 5.849 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.101 -8.191 7.371 1.00 0.00 H new ATOM 581 N LEU A 72 -3.668 -2.810 7.487 1.00 0.00 N ATOM 582 CA LEU A 72 -3.987 -1.538 6.883 1.00 0.00 C ATOM 583 C LEU A 72 -2.772 -0.659 6.796 1.00 0.00 C ATOM 584 O LEU A 72 -2.020 -0.510 7.763 1.00 0.00 O ATOM 585 CB LEU A 72 -5.138 -0.814 7.626 1.00 0.00 C ATOM 586 CG LEU A 72 -4.820 -0.182 8.998 1.00 0.00 C ATOM 587 CD1 LEU A 72 -5.907 0.795 9.393 1.00 0.00 C ATOM 588 CD2 LEU A 72 -4.666 -1.238 10.083 1.00 0.00 C ATOM 0 H LEU A 72 -3.194 -2.757 8.389 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.333 -1.745 5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.516 -0.027 6.973 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.949 -1.529 7.766 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.871 0.346 8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.668 1.232 10.363 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.975 1.585 8.645 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.861 0.272 9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.443 -0.753 11.033 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.593 -1.805 10.173 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.852 -1.914 9.820 1.00 0.00 H new ATOM 600 N MET A 73 -2.574 -0.071 5.642 1.00 0.00 N ATOM 601 CA MET A 73 -1.454 0.789 5.436 1.00 0.00 C ATOM 602 C MET A 73 -1.909 2.216 5.526 1.00 0.00 C ATOM 603 O MET A 73 -2.769 2.657 4.759 1.00 0.00 O ATOM 604 CB MET A 73 -0.805 0.526 4.077 1.00 0.00 C ATOM 605 CG MET A 73 -0.236 -0.875 3.921 1.00 0.00 C ATOM 606 SD MET A 73 0.652 -1.098 2.370 1.00 0.00 S ATOM 607 CE MET A 73 1.974 0.093 2.574 1.00 0.00 C ATOM 0 H MET A 73 -3.183 -0.179 4.831 1.00 0.00 H new ATOM 0 HA MET A 73 -0.708 0.591 6.206 1.00 0.00 H new ATOM 0 HB2 MET A 73 -1.545 0.695 3.294 1.00 0.00 H new ATOM 0 HB3 MET A 73 -0.006 1.250 3.922 1.00 0.00 H new ATOM 0 HG2 MET A 73 0.437 -1.084 4.753 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.048 -1.600 3.977 1.00 0.00 H new ATOM 0 HE1 MET A 73 2.920 -0.358 2.273 1.00 0.00 H new ATOM 0 HE2 MET A 73 1.775 0.967 1.954 1.00 0.00 H new ATOM 0 HE3 MET A 73 2.033 0.396 3.619 1.00 0.00 H new ATOM 617 N ILE A 74 -1.364 2.930 6.463 1.00 0.00 N ATOM 618 CA ILE A 74 -1.727 4.300 6.645 1.00 0.00 C ATOM 619 C ILE A 74 -0.829 5.191 5.808 1.00 0.00 C ATOM 620 O ILE A 74 0.370 5.323 6.068 1.00 0.00 O ATOM 621 CB ILE A 74 -1.705 4.718 8.142 1.00 0.00 C ATOM 622 CG1 ILE A 74 -0.357 4.373 8.800 1.00 0.00 C ATOM 623 CG2 ILE A 74 -2.854 4.046 8.884 1.00 0.00 C ATOM 624 CD1 ILE A 74 -0.214 4.888 10.220 1.00 0.00 C ATOM 0 H ILE A 74 -0.662 2.583 7.117 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.756 4.423 6.306 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.830 5.799 8.198 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.232 3.290 8.803 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.448 4.785 8.192 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.833 4.343 9.933 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.802 4.350 8.440 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.750 2.963 8.811 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.762 4.604 10.613 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.305 5.974 10.224 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.996 4.456 10.844 1.00 0.00 H new ATOM 636 N ILE A 75 -1.410 5.778 4.782 1.00 0.00 N ATOM 637 CA ILE A 75 -0.654 6.649 3.889 1.00 0.00 C ATOM 638 C ILE A 75 -0.327 7.969 4.595 1.00 0.00 C ATOM 639 O ILE A 75 -1.204 8.812 4.831 1.00 0.00 O ATOM 640 CB ILE A 75 -1.394 6.914 2.531 1.00 0.00 C ATOM 641 CG1 ILE A 75 -1.393 5.655 1.634 1.00 0.00 C ATOM 642 CG2 ILE A 75 -0.756 8.084 1.783 1.00 0.00 C ATOM 643 CD1 ILE A 75 -2.281 4.521 2.120 1.00 0.00 C ATOM 0 H ILE A 75 -2.396 5.673 4.542 1.00 0.00 H new ATOM 0 HA ILE A 75 0.273 6.132 3.641 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.427 7.167 2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.710 5.941 0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.371 5.286 1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.286 8.249 0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.815 8.983 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.289 7.856 1.574 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.214 3.683 1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.953 4.200 3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.314 4.865 2.174 1.00 0.00 H new ATOM 655 N HIS A 76 0.940 8.125 4.937 1.00 0.00 N ATOM 656 CA HIS A 76 1.407 9.274 5.695 1.00 0.00 C ATOM 657 C HIS A 76 1.868 10.371 4.748 1.00 0.00 C ATOM 658 O HIS A 76 2.764 10.159 3.935 1.00 0.00 O ATOM 659 CB HIS A 76 2.569 8.842 6.605 1.00 0.00 C ATOM 660 CG HIS A 76 2.738 9.671 7.849 1.00 0.00 C ATOM 661 ND1 HIS A 76 3.053 9.121 9.074 1.00 0.00 N ATOM 662 CD2 HIS A 76 2.643 11.009 8.059 1.00 0.00 C ATOM 663 CE1 HIS A 76 3.144 10.075 9.977 1.00 0.00 C ATOM 664 NE2 HIS A 76 2.901 11.230 9.394 1.00 0.00 N ATOM 0 H HIS A 76 1.675 7.459 4.697 1.00 0.00 H new ATOM 0 HA HIS A 76 0.591 9.661 6.306 1.00 0.00 H new ATOM 0 HB2 HIS A 76 2.417 7.803 6.896 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.495 8.880 6.031 1.00 0.00 H new ATOM 0 HD1 HIS A 76 3.194 8.127 9.253 1.00 0.00 H new ATOM 0 HD2 HIS A 76 2.409 11.759 7.318 1.00 0.00 H new ATOM 0 HE1 HIS A 76 3.379 9.934 11.022 1.00 0.00 H new ATOM 673 N HIS A 77 1.252 11.542 4.853 1.00 0.00 N ATOM 674 CA HIS A 77 1.610 12.670 3.998 1.00 0.00 C ATOM 675 C HIS A 77 1.257 13.992 4.664 1.00 0.00 C ATOM 676 O HIS A 77 0.640 14.011 5.726 1.00 0.00 O ATOM 677 CB HIS A 77 0.909 12.572 2.629 1.00 0.00 C ATOM 678 CG HIS A 77 -0.588 12.677 2.688 1.00 0.00 C ATOM 679 ND1 HIS A 77 -1.278 13.820 2.353 1.00 0.00 N ATOM 680 CD2 HIS A 77 -1.524 11.769 3.023 1.00 0.00 C ATOM 681 CE1 HIS A 77 -2.565 13.604 2.478 1.00 0.00 C ATOM 682 NE2 HIS A 77 -2.746 12.366 2.881 1.00 0.00 N ATOM 0 H HIS A 77 0.504 11.736 5.519 1.00 0.00 H new ATOM 0 HA HIS A 77 2.688 12.632 3.842 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.291 13.362 1.982 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.176 11.623 2.165 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.343 10.754 3.345 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.346 14.323 2.282 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -3.648 11.924 3.058 1.00 0.00 H new ATOM 691 N LEU A 78 1.646 15.088 4.026 1.00 0.00 N ATOM 692 CA LEU A 78 1.351 16.424 4.517 1.00 0.00 C ATOM 693 C LEU A 78 1.198 17.372 3.327 1.00 0.00 C ATOM 694 O LEU A 78 1.732 17.103 2.252 1.00 0.00 O ATOM 695 CB LEU A 78 2.469 16.911 5.456 1.00 0.00 C ATOM 696 CG LEU A 78 2.213 18.235 6.184 1.00 0.00 C ATOM 697 CD1 LEU A 78 1.012 18.120 7.114 1.00 0.00 C ATOM 698 CD2 LEU A 78 3.449 18.668 6.956 1.00 0.00 C ATOM 0 H LEU A 78 2.175 15.074 3.154 1.00 0.00 H new ATOM 0 HA LEU A 78 0.421 16.405 5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.649 16.138 6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.385 17.012 4.874 1.00 0.00 H new ATOM 0 HG LEU A 78 1.990 18.996 5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.851 19.072 7.619 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.126 17.862 6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.199 17.343 7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.248 19.610 7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.705 17.905 7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.282 18.800 6.265 1.00 0.00 H new ATOM 710 N ASP A 79 0.459 18.464 3.513 1.00 0.00 N ATOM 711 CA ASP A 79 0.223 19.430 2.430 1.00 0.00 C ATOM 712 C ASP A 79 1.477 20.256 2.140 1.00 0.00 C ATOM 713 O ASP A 79 1.646 20.791 1.044 1.00 0.00 O ATOM 714 CB ASP A 79 -0.957 20.349 2.764 1.00 0.00 C ATOM 715 CG ASP A 79 -1.296 21.301 1.632 1.00 0.00 C ATOM 716 OD1 ASP A 79 -1.655 20.828 0.537 1.00 0.00 O ATOM 717 OD2 ASP A 79 -1.220 22.527 1.834 1.00 0.00 O ATOM 0 H ASP A 79 0.013 18.706 4.398 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.024 18.863 1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.831 19.741 2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.722 20.925 3.659 1.00 0.00 H new ATOM 722 N GLU A 80 2.367 20.331 3.118 1.00 0.00 N ATOM 723 CA GLU A 80 3.627 21.061 2.973 1.00 0.00 C ATOM 724 C GLU A 80 4.675 20.139 2.325 1.00 0.00 C ATOM 725 O GLU A 80 5.870 20.221 2.601 1.00 0.00 O ATOM 726 CB GLU A 80 4.109 21.528 4.355 1.00 0.00 C ATOM 727 CG GLU A 80 5.148 22.644 4.319 1.00 0.00 C ATOM 728 CD GLU A 80 4.600 23.930 3.732 1.00 0.00 C ATOM 729 OE1 GLU A 80 3.884 24.658 4.451 1.00 0.00 O ATOM 730 OE2 GLU A 80 4.887 24.227 2.556 1.00 0.00 O ATOM 0 H GLU A 80 2.242 19.892 4.030 1.00 0.00 H new ATOM 0 HA GLU A 80 3.480 21.934 2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.248 21.869 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.530 20.674 4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.507 22.834 5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.007 22.318 3.732 1.00 0.00 H new ATOM 737 N CYS A 81 4.198 19.278 1.448 1.00 0.00 N ATOM 738 CA CYS A 81 5.017 18.292 0.769 1.00 0.00 C ATOM 739 C CYS A 81 4.402 18.032 -0.594 1.00 0.00 C ATOM 740 O CYS A 81 3.270 18.477 -0.840 1.00 0.00 O ATOM 741 CB CYS A 81 5.049 16.979 1.568 1.00 0.00 C ATOM 742 SG CYS A 81 5.526 17.168 3.304 1.00 0.00 S ATOM 0 H CYS A 81 3.214 19.243 1.182 1.00 0.00 H new ATOM 0 HA CYS A 81 6.037 18.664 0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.063 16.517 1.524 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.745 16.292 1.086 1.00 0.00 H new ATOM 0 HG CYS A 81 5.985 18.368 3.500 1.00 0.00 H new ATOM 748 N PRO A 82 5.121 17.356 -1.522 1.00 0.00 N ATOM 749 CA PRO A 82 4.522 16.917 -2.781 1.00 0.00 C ATOM 750 C PRO A 82 3.284 16.139 -2.481 1.00 0.00 C ATOM 751 O PRO A 82 3.315 15.167 -1.722 1.00 0.00 O ATOM 752 CB PRO A 82 5.598 16.021 -3.389 1.00 0.00 C ATOM 753 CG PRO A 82 6.870 16.564 -2.839 1.00 0.00 C ATOM 754 CD PRO A 82 6.551 17.005 -1.438 1.00 0.00 C ATOM 0 HA PRO A 82 4.235 17.729 -3.449 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.455 14.978 -3.108 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.584 16.063 -4.478 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.653 15.806 -2.842 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.232 17.399 -3.440 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.730 16.211 -0.713 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.159 17.857 -1.134 1.00 0.00 H new ATOM 762 N HIS A 83 2.195 16.581 -3.046 1.00 0.00 N ATOM 763 CA HIS A 83 0.920 16.015 -2.758 1.00 0.00 C ATOM 764 C HIS A 83 0.879 14.530 -3.047 1.00 0.00 C ATOM 765 O HIS A 83 1.270 14.064 -4.140 1.00 0.00 O ATOM 766 CB HIS A 83 -0.180 16.766 -3.496 1.00 0.00 C ATOM 767 CG HIS A 83 -0.402 18.152 -2.973 1.00 0.00 C ATOM 768 ND1 HIS A 83 -0.012 19.289 -3.646 1.00 0.00 N ATOM 769 CD2 HIS A 83 -0.974 18.576 -1.826 1.00 0.00 C ATOM 770 CE1 HIS A 83 -0.333 20.351 -2.930 1.00 0.00 C ATOM 771 NE2 HIS A 83 -0.919 19.942 -1.822 1.00 0.00 N ATOM 0 H HIS A 83 2.174 17.346 -3.720 1.00 0.00 H new ATOM 0 HA HIS A 83 0.743 16.125 -1.688 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.074 16.820 -4.555 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -1.110 16.203 -3.420 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.397 17.951 -1.054 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.147 21.379 -3.205 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.274 20.547 -1.081 1.00 0.00 H new ATOM 780 N SER A 84 0.413 13.785 -2.061 1.00 0.00 N ATOM 781 CA SER A 84 0.283 12.355 -2.165 1.00 0.00 C ATOM 782 C SER A 84 -0.578 11.953 -3.368 1.00 0.00 C ATOM 783 O SER A 84 -0.634 10.790 -3.725 1.00 0.00 O ATOM 784 CB SER A 84 -0.292 11.779 -0.871 1.00 0.00 C ATOM 785 OG SER A 84 -1.418 12.522 -0.442 1.00 0.00 O ATOM 0 H SER A 84 0.114 14.164 -1.162 1.00 0.00 H new ATOM 0 HA SER A 84 1.278 11.939 -2.322 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.576 10.738 -1.027 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.472 11.788 -0.094 1.00 0.00 H new ATOM 0 HG SER A 84 -1.864 12.047 0.290 1.00 0.00 H new ATOM 791 N GLN A 85 -1.252 12.931 -3.988 1.00 0.00 N ATOM 792 CA GLN A 85 -2.079 12.663 -5.161 1.00 0.00 C ATOM 793 C GLN A 85 -1.218 12.165 -6.314 1.00 0.00 C ATOM 794 O GLN A 85 -1.627 11.291 -7.078 1.00 0.00 O ATOM 795 CB GLN A 85 -2.864 13.910 -5.597 1.00 0.00 C ATOM 796 CG GLN A 85 -2.000 15.134 -5.886 1.00 0.00 C ATOM 797 CD GLN A 85 -2.711 16.153 -6.745 1.00 0.00 C ATOM 798 OE1 GLN A 85 -2.640 16.104 -7.975 1.00 0.00 O ATOM 799 NE2 GLN A 85 -3.396 17.080 -6.115 1.00 0.00 N ATOM 0 H GLN A 85 -1.238 13.908 -3.695 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.797 11.890 -4.886 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.439 13.668 -6.491 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.581 14.164 -4.816 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.707 15.598 -4.944 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.084 14.819 -6.385 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.429 17.085 -5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.895 17.795 -6.645 1.00 0.00 H new ATOM 808 N ALA A 86 -0.008 12.710 -6.417 1.00 0.00 N ATOM 809 CA ALA A 86 0.914 12.313 -7.459 1.00 0.00 C ATOM 810 C ALA A 86 1.375 10.893 -7.213 1.00 0.00 C ATOM 811 O ALA A 86 1.562 10.108 -8.149 1.00 0.00 O ATOM 812 CB ALA A 86 2.102 13.262 -7.508 1.00 0.00 C ATOM 0 H ALA A 86 0.350 13.428 -5.787 1.00 0.00 H new ATOM 0 HA ALA A 86 0.406 12.359 -8.422 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.786 12.949 -8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.751 14.274 -7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.622 13.244 -6.550 1.00 0.00 H new ATOM 818 N LEU A 87 1.534 10.561 -5.942 1.00 0.00 N ATOM 819 CA LEU A 87 1.946 9.219 -5.546 1.00 0.00 C ATOM 820 C LEU A 87 0.775 8.227 -5.665 1.00 0.00 C ATOM 821 O LEU A 87 0.947 7.099 -6.108 1.00 0.00 O ATOM 822 CB LEU A 87 2.490 9.232 -4.112 1.00 0.00 C ATOM 823 CG LEU A 87 3.023 7.894 -3.582 1.00 0.00 C ATOM 824 CD1 LEU A 87 4.216 7.425 -4.405 1.00 0.00 C ATOM 825 CD2 LEU A 87 3.401 8.013 -2.113 1.00 0.00 C ATOM 0 H LEU A 87 1.384 11.202 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 87 2.738 8.892 -6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.292 9.968 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.697 9.574 -3.447 1.00 0.00 H new ATOM 0 HG LEU A 87 2.231 7.151 -3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.578 6.475 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.913 7.296 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.012 8.168 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.777 7.054 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.174 8.772 -1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.523 8.298 -1.533 1.00 0.00 H new ATOM 837 N LYS A 88 -0.413 8.677 -5.282 1.00 0.00 N ATOM 838 CA LYS A 88 -1.617 7.845 -5.320 1.00 0.00 C ATOM 839 C LYS A 88 -1.994 7.491 -6.757 1.00 0.00 C ATOM 840 O LYS A 88 -2.623 6.459 -7.011 1.00 0.00 O ATOM 841 CB LYS A 88 -2.785 8.565 -4.626 1.00 0.00 C ATOM 842 CG LYS A 88 -4.037 7.706 -4.447 1.00 0.00 C ATOM 843 CD LYS A 88 -5.156 8.473 -3.745 1.00 0.00 C ATOM 844 CE LYS A 88 -5.715 9.599 -4.614 1.00 0.00 C ATOM 845 NZ LYS A 88 -6.414 9.083 -5.823 1.00 0.00 N ATOM 0 H LYS A 88 -0.573 9.624 -4.937 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.405 6.919 -4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.453 8.911 -3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.046 9.451 -5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.386 7.365 -5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.788 6.816 -3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.959 7.784 -3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.779 8.890 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.408 10.200 -4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.902 10.257 -4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.933 9.859 -6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.716 8.694 -6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.082 8.336 -5.545 1.00 0.00 H new ATOM 859 N LYS A 89 -1.620 8.344 -7.692 1.00 0.00 N ATOM 860 CA LYS A 89 -1.918 8.096 -9.085 1.00 0.00 C ATOM 861 C LYS A 89 -1.033 6.981 -9.630 1.00 0.00 C ATOM 862 O LYS A 89 -1.537 5.986 -10.140 1.00 0.00 O ATOM 863 CB LYS A 89 -1.768 9.368 -9.912 1.00 0.00 C ATOM 864 CG LYS A 89 -2.215 9.216 -11.362 1.00 0.00 C ATOM 865 CD LYS A 89 -2.236 10.555 -12.086 1.00 0.00 C ATOM 866 CE LYS A 89 -3.281 11.496 -11.493 1.00 0.00 C ATOM 867 NZ LYS A 89 -3.278 12.819 -12.160 1.00 0.00 N ATOM 0 H LYS A 89 -1.112 9.210 -7.511 1.00 0.00 H new ATOM 0 HA LYS A 89 -2.957 7.774 -9.159 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -2.347 10.164 -9.445 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.724 9.681 -9.894 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.543 8.532 -11.881 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -3.209 8.770 -11.392 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.251 11.018 -12.025 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.448 10.395 -13.143 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -4.269 11.045 -11.586 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.089 11.626 -10.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.002 13.428 -11.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.343 13.261 -12.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.487 12.698 -13.172 1.00 0.00 H new ATOM 881 N VAL A 90 0.293 7.135 -9.488 1.00 0.00 N ATOM 882 CA VAL A 90 1.236 6.111 -9.956 1.00 0.00 C ATOM 883 C VAL A 90 0.991 4.779 -9.229 1.00 0.00 C ATOM 884 O VAL A 90 1.279 3.701 -9.755 1.00 0.00 O ATOM 885 CB VAL A 90 2.718 6.562 -9.797 1.00 0.00 C ATOM 886 CG1 VAL A 90 3.102 6.687 -8.341 1.00 0.00 C ATOM 887 CG2 VAL A 90 3.659 5.615 -10.531 1.00 0.00 C ATOM 0 H VAL A 90 0.731 7.949 -9.058 1.00 0.00 H new ATOM 0 HA VAL A 90 1.057 5.968 -11.022 1.00 0.00 H new ATOM 0 HB VAL A 90 2.813 7.549 -10.249 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.142 7.003 -8.265 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.462 7.425 -7.858 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.979 5.723 -7.848 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.687 5.953 -10.404 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.554 4.610 -10.123 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.409 5.604 -11.592 1.00 0.00 H new ATOM 897 N PHE A 91 0.439 4.882 -8.025 1.00 0.00 N ATOM 898 CA PHE A 91 0.056 3.734 -7.218 1.00 0.00 C ATOM 899 C PHE A 91 -0.907 2.841 -8.014 1.00 0.00 C ATOM 900 O PHE A 91 -0.701 1.638 -8.147 1.00 0.00 O ATOM 901 CB PHE A 91 -0.630 4.249 -5.934 1.00 0.00 C ATOM 902 CG PHE A 91 -0.984 3.203 -4.906 1.00 0.00 C ATOM 903 CD1 PHE A 91 -2.059 2.348 -5.100 1.00 0.00 C ATOM 904 CD2 PHE A 91 -0.247 3.091 -3.737 1.00 0.00 C ATOM 905 CE1 PHE A 91 -2.385 1.401 -4.153 1.00 0.00 C ATOM 906 CE2 PHE A 91 -0.572 2.147 -2.782 1.00 0.00 C ATOM 907 CZ PHE A 91 -1.643 1.299 -2.991 1.00 0.00 C ATOM 0 H PHE A 91 0.243 5.778 -7.578 1.00 0.00 H new ATOM 0 HA PHE A 91 0.935 3.145 -6.955 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.026 4.983 -5.465 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.542 4.773 -6.219 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.647 2.425 -6.003 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.592 3.750 -3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.221 0.738 -4.319 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.009 2.072 -1.875 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.900 0.558 -2.248 1.00 0.00 H new ATOM 917 N ALA A 92 -1.937 3.459 -8.569 1.00 0.00 N ATOM 918 CA ALA A 92 -2.958 2.745 -9.327 1.00 0.00 C ATOM 919 C ALA A 92 -2.515 2.473 -10.765 1.00 0.00 C ATOM 920 O ALA A 92 -3.149 1.699 -11.484 1.00 0.00 O ATOM 921 CB ALA A 92 -4.262 3.527 -9.313 1.00 0.00 C ATOM 0 H ALA A 92 -2.091 4.466 -8.509 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.113 1.779 -8.846 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.017 2.985 -9.882 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.601 3.650 -8.285 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.103 4.507 -9.763 1.00 0.00 H new ATOM 927 N GLU A 93 -1.441 3.122 -11.186 1.00 0.00 N ATOM 928 CA GLU A 93 -0.932 2.961 -12.543 1.00 0.00 C ATOM 929 C GLU A 93 -0.070 1.704 -12.686 1.00 0.00 C ATOM 930 O GLU A 93 0.258 1.290 -13.802 1.00 0.00 O ATOM 931 CB GLU A 93 -0.134 4.194 -12.971 1.00 0.00 C ATOM 932 CG GLU A 93 -0.977 5.454 -13.094 1.00 0.00 C ATOM 933 CD GLU A 93 -2.026 5.352 -14.177 1.00 0.00 C ATOM 934 OE1 GLU A 93 -1.700 5.635 -15.349 1.00 0.00 O ATOM 935 OE2 GLU A 93 -3.183 4.989 -13.872 1.00 0.00 O ATOM 0 H GLU A 93 -0.902 3.767 -10.608 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.796 2.849 -13.198 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.663 4.369 -12.248 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.344 3.992 -13.930 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.464 5.654 -12.140 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.326 6.303 -13.304 1.00 0.00 H new ATOM 942 N ASN A 94 0.305 1.105 -11.564 1.00 0.00 N ATOM 943 CA ASN A 94 1.105 -0.115 -11.587 1.00 0.00 C ATOM 944 C ASN A 94 0.260 -1.292 -11.105 1.00 0.00 C ATOM 945 O ASN A 94 -0.318 -1.241 -10.023 1.00 0.00 O ATOM 946 CB ASN A 94 2.357 0.053 -10.717 1.00 0.00 C ATOM 947 CG ASN A 94 3.408 -1.017 -10.973 1.00 0.00 C ATOM 948 OD1 ASN A 94 3.402 -2.072 -10.175 1.00 0.00 O flip ATOM 949 ND2 ASN A 94 4.239 -0.877 -11.871 1.00 0.00 N flip ATOM 0 H ASN A 94 0.070 1.441 -10.630 1.00 0.00 H new ATOM 0 HA ASN A 94 1.429 -0.314 -12.608 1.00 0.00 H new ATOM 0 HB2 ASN A 94 2.793 1.034 -10.903 1.00 0.00 H new ATOM 0 HB3 ASN A 94 2.068 0.027 -9.666 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.212 -0.049 -12.467 1.00 0.00 H new ATOM 0 HD22 ASN A 94 4.954 -1.589 -12.019 1.00 0.00 H new ATOM 956 N LYS A 95 0.207 -2.355 -11.904 1.00 0.00 N ATOM 957 CA LYS A 95 -0.655 -3.509 -11.615 1.00 0.00 C ATOM 958 C LYS A 95 -0.370 -4.151 -10.255 1.00 0.00 C ATOM 959 O LYS A 95 -1.297 -4.433 -9.503 1.00 0.00 O ATOM 960 CB LYS A 95 -0.556 -4.559 -12.726 1.00 0.00 C ATOM 961 CG LYS A 95 -1.034 -4.071 -14.088 1.00 0.00 C ATOM 962 CD LYS A 95 -2.494 -3.641 -14.051 1.00 0.00 C ATOM 963 CE LYS A 95 -2.953 -3.114 -15.402 1.00 0.00 C ATOM 964 NZ LYS A 95 -2.185 -1.913 -15.821 1.00 0.00 N ATOM 0 H LYS A 95 0.752 -2.445 -12.762 1.00 0.00 H new ATOM 0 HA LYS A 95 -1.673 -3.121 -11.574 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.481 -4.885 -12.812 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.142 -5.432 -12.439 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.416 -3.234 -14.412 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.907 -4.865 -14.824 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.116 -4.487 -13.758 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.628 -2.869 -13.293 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.841 -3.896 -16.153 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.014 -2.867 -15.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.663 -1.458 -16.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.128 -1.243 -15.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.225 -2.196 -16.105 1.00 0.00 H new ATOM 978 N GLU A 96 0.903 -4.363 -9.934 1.00 0.00 N ATOM 979 CA GLU A 96 1.259 -4.998 -8.659 1.00 0.00 C ATOM 980 C GLU A 96 0.803 -4.166 -7.469 1.00 0.00 C ATOM 981 O GLU A 96 0.405 -4.709 -6.442 1.00 0.00 O ATOM 982 CB GLU A 96 2.759 -5.279 -8.563 1.00 0.00 C ATOM 983 CG GLU A 96 3.224 -6.449 -9.411 1.00 0.00 C ATOM 984 CD GLU A 96 4.606 -6.931 -9.016 1.00 0.00 C ATOM 985 OE1 GLU A 96 4.730 -7.605 -7.962 1.00 0.00 O ATOM 986 OE2 GLU A 96 5.566 -6.645 -9.748 1.00 0.00 O ATOM 0 H GLU A 96 1.696 -4.111 -10.524 1.00 0.00 H new ATOM 0 HA GLU A 96 0.733 -5.952 -8.631 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.306 -4.385 -8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.016 -5.474 -7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.514 -7.270 -9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.230 -6.155 -10.460 1.00 0.00 H new ATOM 993 N ILE A 97 0.834 -2.856 -7.620 1.00 0.00 N ATOM 994 CA ILE A 97 0.428 -1.969 -6.547 1.00 0.00 C ATOM 995 C ILE A 97 -1.095 -1.893 -6.501 1.00 0.00 C ATOM 996 O ILE A 97 -1.694 -1.707 -5.440 1.00 0.00 O ATOM 997 CB ILE A 97 1.024 -0.550 -6.722 1.00 0.00 C ATOM 998 CG1 ILE A 97 2.514 -0.626 -7.033 1.00 0.00 C ATOM 999 CG2 ILE A 97 0.816 0.257 -5.466 1.00 0.00 C ATOM 1000 CD1 ILE A 97 3.190 0.735 -7.131 1.00 0.00 C ATOM 0 H ILE A 97 1.135 -2.383 -8.472 1.00 0.00 H new ATOM 0 HA ILE A 97 0.808 -2.373 -5.609 1.00 0.00 H new ATOM 0 HB ILE A 97 0.513 -0.067 -7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.008 -1.212 -6.258 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.653 -1.159 -7.973 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.239 1.253 -5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.251 0.340 -5.259 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.310 -0.238 -4.630 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.248 0.600 -7.354 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.723 1.317 -7.925 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.084 1.263 -6.183 1.00 0.00 H new ATOM 1012 N GLN A 98 -1.715 -2.064 -7.665 1.00 0.00 N ATOM 1013 CA GLN A 98 -3.165 -2.072 -7.779 1.00 0.00 C ATOM 1014 C GLN A 98 -3.742 -3.244 -6.985 1.00 0.00 C ATOM 1015 O GLN A 98 -4.790 -3.122 -6.350 1.00 0.00 O ATOM 1016 CB GLN A 98 -3.573 -2.191 -9.248 1.00 0.00 C ATOM 1017 CG GLN A 98 -5.061 -2.001 -9.500 1.00 0.00 C ATOM 1018 CD GLN A 98 -5.460 -2.377 -10.912 1.00 0.00 C ATOM 1019 OE1 GLN A 98 -5.414 -1.552 -11.829 1.00 0.00 O ATOM 1020 NE2 GLN A 98 -5.872 -3.616 -11.096 1.00 0.00 N ATOM 0 H GLN A 98 -1.227 -2.200 -8.550 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.557 -1.139 -7.375 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.021 -1.452 -9.828 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.276 -3.172 -9.617 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -5.627 -2.606 -8.792 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.328 -0.961 -9.315 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.895 -4.268 -10.312 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.168 -3.923 -12.023 1.00 0.00 H new ATOM 1029 N LYS A 99 -3.035 -4.381 -7.020 1.00 0.00 N ATOM 1030 CA LYS A 99 -3.449 -5.569 -6.275 1.00 0.00 C ATOM 1031 C LYS A 99 -3.507 -5.273 -4.785 1.00 0.00 C ATOM 1032 O LYS A 99 -4.410 -5.739 -4.078 1.00 0.00 O ATOM 1033 CB LYS A 99 -2.501 -6.751 -6.527 1.00 0.00 C ATOM 1034 CG LYS A 99 -2.926 -7.692 -7.653 1.00 0.00 C ATOM 1035 CD LYS A 99 -2.837 -7.034 -9.020 1.00 0.00 C ATOM 1036 CE LYS A 99 -3.159 -8.023 -10.132 1.00 0.00 C ATOM 1037 NZ LYS A 99 -2.241 -9.193 -10.127 1.00 0.00 N ATOM 0 H LYS A 99 -2.176 -4.500 -7.556 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.443 -5.843 -6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.510 -6.360 -6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.411 -7.328 -5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.295 -8.581 -7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.949 -8.025 -7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.529 -6.193 -9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.835 -6.631 -9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.187 -8.369 -10.022 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.095 -7.517 -11.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.311 -9.693 -11.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.264 -8.867 -9.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.505 -9.838 -9.356 1.00 0.00 H new ATOM 1051 N LEU A 100 -2.534 -4.512 -4.306 1.00 0.00 N ATOM 1052 CA LEU A 100 -2.491 -4.134 -2.900 1.00 0.00 C ATOM 1053 C LEU A 100 -3.763 -3.410 -2.455 1.00 0.00 C ATOM 1054 O LEU A 100 -4.277 -3.681 -1.382 1.00 0.00 O ATOM 1055 CB LEU A 100 -1.243 -3.292 -2.584 1.00 0.00 C ATOM 1056 CG LEU A 100 0.023 -4.075 -2.150 1.00 0.00 C ATOM 1057 CD1 LEU A 100 -0.153 -4.669 -0.755 1.00 0.00 C ATOM 1058 CD2 LEU A 100 0.363 -5.169 -3.151 1.00 0.00 C ATOM 0 H LEU A 100 -1.766 -4.145 -4.868 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.430 -5.061 -2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.995 -2.703 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.497 -2.587 -1.792 1.00 0.00 H new ATOM 0 HG LEU A 100 0.853 -3.368 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.749 -5.213 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.331 -3.867 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.003 -5.351 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.255 -5.701 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.470 -5.868 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.548 -4.723 -4.128 1.00 0.00 H new ATOM 1070 N ALA A 101 -4.302 -2.517 -3.285 1.00 0.00 N ATOM 1071 CA ALA A 101 -5.507 -1.772 -2.909 1.00 0.00 C ATOM 1072 C ALA A 101 -6.775 -2.596 -3.125 1.00 0.00 C ATOM 1073 O ALA A 101 -7.867 -2.172 -2.761 1.00 0.00 O ATOM 1074 CB ALA A 101 -5.586 -0.487 -3.719 1.00 0.00 C ATOM 0 H ALA A 101 -3.932 -2.293 -4.209 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.439 -1.540 -1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.483 0.066 -3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.706 0.124 -3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.626 -0.728 -4.781 1.00 0.00 H new ATOM 1080 N GLU A 102 -6.624 -3.761 -3.718 1.00 0.00 N ATOM 1081 CA GLU A 102 -7.758 -4.628 -3.994 1.00 0.00 C ATOM 1082 C GLU A 102 -8.303 -5.241 -2.700 1.00 0.00 C ATOM 1083 O GLU A 102 -9.509 -5.221 -2.450 1.00 0.00 O ATOM 1084 CB GLU A 102 -7.340 -5.737 -4.973 1.00 0.00 C ATOM 1085 CG GLU A 102 -8.463 -6.669 -5.401 1.00 0.00 C ATOM 1086 CD GLU A 102 -9.507 -5.982 -6.253 1.00 0.00 C ATOM 1087 OE1 GLU A 102 -9.237 -5.739 -7.445 1.00 0.00 O ATOM 1088 OE2 GLU A 102 -10.610 -5.700 -5.741 1.00 0.00 O ATOM 0 H GLU A 102 -5.724 -4.134 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 102 -8.550 -4.031 -4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.912 -5.274 -5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.551 -6.330 -4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.041 -7.506 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.941 -7.084 -4.514 1.00 0.00 H new ATOM 1095 N GLN A 103 -7.410 -5.782 -1.880 1.00 0.00 N ATOM 1096 CA GLN A 103 -7.833 -6.453 -0.648 1.00 0.00 C ATOM 1097 C GLN A 103 -7.406 -5.717 0.624 1.00 0.00 C ATOM 1098 O GLN A 103 -7.654 -6.206 1.728 1.00 0.00 O ATOM 1099 CB GLN A 103 -7.286 -7.881 -0.601 1.00 0.00 C ATOM 1100 CG GLN A 103 -7.734 -8.766 -1.751 1.00 0.00 C ATOM 1101 CD GLN A 103 -7.213 -10.182 -1.618 1.00 0.00 C ATOM 1102 OE1 GLN A 103 -7.868 -11.049 -1.032 1.00 0.00 O ATOM 1103 NE2 GLN A 103 -6.030 -10.428 -2.145 1.00 0.00 N ATOM 0 H GLN A 103 -6.402 -5.772 -2.038 1.00 0.00 H new ATOM 0 HA GLN A 103 -8.923 -6.459 -0.673 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.197 -7.839 -0.595 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.593 -8.343 0.337 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -8.823 -8.783 -1.791 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -7.387 -8.340 -2.692 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -5.519 -9.685 -2.622 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -5.625 -11.362 -2.076 1.00 0.00 H new ATOM 1112 N PHE A 104 -6.779 -4.559 0.491 1.00 0.00 N ATOM 1113 CA PHE A 104 -6.284 -3.849 1.673 1.00 0.00 C ATOM 1114 C PHE A 104 -6.839 -2.433 1.772 1.00 0.00 C ATOM 1115 O PHE A 104 -7.539 -1.970 0.873 1.00 0.00 O ATOM 1116 CB PHE A 104 -4.751 -3.874 1.710 1.00 0.00 C ATOM 1117 CG PHE A 104 -4.217 -5.285 1.745 1.00 0.00 C ATOM 1118 CD1 PHE A 104 -4.326 -6.047 2.898 1.00 0.00 C ATOM 1119 CD2 PHE A 104 -3.643 -5.859 0.620 1.00 0.00 C ATOM 1120 CE1 PHE A 104 -3.868 -7.353 2.930 1.00 0.00 C ATOM 1121 CE2 PHE A 104 -3.188 -7.162 0.645 1.00 0.00 C ATOM 1122 CZ PHE A 104 -3.298 -7.908 1.802 1.00 0.00 C ATOM 0 H PHE A 104 -6.601 -4.094 -0.399 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.650 -4.375 2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.357 -3.357 0.835 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.399 -3.330 2.586 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -4.774 -5.617 3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.551 -5.279 -0.287 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.956 -7.936 3.835 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.747 -7.598 -0.239 1.00 0.00 H new ATOM 0 HZ PHE A 104 -2.938 -8.926 1.824 1.00 0.00 H new ATOM 1132 N VAL A 105 -6.528 -1.749 2.871 1.00 0.00 N ATOM 1133 CA VAL A 105 -7.078 -0.417 3.122 1.00 0.00 C ATOM 1134 C VAL A 105 -6.086 0.665 2.772 1.00 0.00 C ATOM 1135 O VAL A 105 -4.879 0.508 2.972 1.00 0.00 O ATOM 1136 CB VAL A 105 -7.469 -0.211 4.608 1.00 0.00 C ATOM 1137 CG1 VAL A 105 -8.517 0.890 4.741 1.00 0.00 C ATOM 1138 CG2 VAL A 105 -7.955 -1.507 5.244 1.00 0.00 C ATOM 0 H VAL A 105 -5.901 -2.092 3.599 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.965 -0.348 2.492 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.574 0.100 5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.778 1.019 5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -8.115 1.824 4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.408 0.614 4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.220 -1.324 6.285 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.830 -1.871 4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.163 -2.255 5.197 1.00 0.00 H new ATOM 1148 N LEU A 106 -6.603 1.764 2.273 1.00 0.00 N ATOM 1149 CA LEU A 106 -5.800 2.922 1.975 1.00 0.00 C ATOM 1150 C LEU A 106 -6.319 4.075 2.806 1.00 0.00 C ATOM 1151 O LEU A 106 -7.457 4.512 2.623 1.00 0.00 O ATOM 1152 CB LEU A 106 -5.878 3.295 0.475 1.00 0.00 C ATOM 1153 CG LEU A 106 -5.471 2.213 -0.544 1.00 0.00 C ATOM 1154 CD1 LEU A 106 -4.127 1.591 -0.187 1.00 0.00 C ATOM 1155 CD2 LEU A 106 -6.556 1.151 -0.678 1.00 0.00 C ATOM 0 H LEU A 106 -7.595 1.878 2.063 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.758 2.704 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.902 3.597 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.246 4.168 0.311 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.358 2.697 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.870 0.832 -0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.359 2.364 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.189 1.131 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.243 0.400 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.721 0.675 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.482 1.617 -1.015 1.00 0.00 H new ATOM 1167 N LEU A 107 -5.514 4.553 3.723 1.00 0.00 N ATOM 1168 CA LEU A 107 -5.926 5.657 4.568 1.00 0.00 C ATOM 1169 C LEU A 107 -5.192 6.913 4.186 1.00 0.00 C ATOM 1170 O LEU A 107 -3.979 7.002 4.349 1.00 0.00 O ATOM 1171 CB LEU A 107 -5.702 5.352 6.058 1.00 0.00 C ATOM 1172 CG LEU A 107 -6.543 4.221 6.655 1.00 0.00 C ATOM 1173 CD1 LEU A 107 -5.938 2.863 6.332 1.00 0.00 C ATOM 1174 CD2 LEU A 107 -6.698 4.404 8.156 1.00 0.00 C ATOM 0 H LEU A 107 -4.575 4.201 3.906 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.995 5.802 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.650 5.108 6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.899 6.261 6.626 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.534 4.260 6.203 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.555 2.077 6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.894 2.732 5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.931 2.805 6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.299 3.590 8.562 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.715 4.399 8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.192 5.355 8.358 1.00 0.00 H new ATOM 1186 N ASN A 108 -5.916 7.869 3.659 1.00 0.00 N ATOM 1187 CA ASN A 108 -5.328 9.131 3.275 1.00 0.00 C ATOM 1188 C ASN A 108 -5.415 10.107 4.448 1.00 0.00 C ATOM 1189 O ASN A 108 -6.467 10.687 4.705 1.00 0.00 O ATOM 1190 CB ASN A 108 -6.046 9.704 2.046 1.00 0.00 C ATOM 1191 CG ASN A 108 -5.216 10.743 1.322 1.00 0.00 C ATOM 1192 OD1 ASN A 108 -3.994 10.672 1.311 1.00 0.00 O ATOM 1193 ND2 ASN A 108 -5.871 11.713 0.720 1.00 0.00 N ATOM 0 H ASN A 108 -6.919 7.798 3.485 1.00 0.00 H new ATOM 0 HA ASN A 108 -4.281 8.976 3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -6.287 8.893 1.359 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -6.991 10.150 2.356 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -5.359 12.441 0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -6.890 11.737 0.752 1.00 0.00 H new ATOM 1200 N LEU A 109 -4.311 10.269 5.166 1.00 0.00 N ATOM 1201 CA LEU A 109 -4.297 11.130 6.346 1.00 0.00 C ATOM 1202 C LEU A 109 -3.964 12.571 5.992 1.00 0.00 C ATOM 1203 O LEU A 109 -2.808 12.907 5.733 1.00 0.00 O ATOM 1204 CB LEU A 109 -3.307 10.616 7.413 1.00 0.00 C ATOM 1205 CG LEU A 109 -3.698 9.330 8.170 1.00 0.00 C ATOM 1206 CD1 LEU A 109 -5.120 9.419 8.704 1.00 0.00 C ATOM 1207 CD2 LEU A 109 -3.518 8.099 7.296 1.00 0.00 C ATOM 0 H LEU A 109 -3.419 9.820 4.956 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.305 11.100 6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.346 10.445 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.158 11.409 8.146 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.026 9.232 9.023 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -5.368 8.499 9.233 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.199 10.264 9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.812 9.558 7.874 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.802 7.209 7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.148 8.186 6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.475 8.018 6.992 1.00 0.00 H new ATOM 1219 N VAL A 110 -4.976 13.422 5.996 1.00 0.00 N ATOM 1220 CA VAL A 110 -4.795 14.842 5.707 1.00 0.00 C ATOM 1221 C VAL A 110 -4.509 15.617 6.996 1.00 0.00 C ATOM 1222 O VAL A 110 -5.116 16.656 7.265 1.00 0.00 O ATOM 1223 CB VAL A 110 -6.032 15.447 4.986 1.00 0.00 C ATOM 1224 CG1 VAL A 110 -6.131 14.910 3.570 1.00 0.00 C ATOM 1225 CG2 VAL A 110 -7.316 15.150 5.753 1.00 0.00 C ATOM 0 H VAL A 110 -5.940 13.155 6.197 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.941 14.932 5.036 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.903 16.529 4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.002 15.342 3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -5.231 15.177 3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -6.231 13.825 3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.164 15.585 5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -7.452 14.071 5.831 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -7.251 15.581 6.752 1.00 0.00 H new ATOM 1235 N TYR A 111 -3.579 15.074 7.787 1.00 0.00 N ATOM 1236 CA TYR A 111 -3.158 15.641 9.071 1.00 0.00 C ATOM 1237 C TYR A 111 -4.162 15.296 10.165 1.00 0.00 C ATOM 1238 O TYR A 111 -5.039 16.086 10.517 1.00 0.00 O ATOM 1239 CB TYR A 111 -2.888 17.162 9.003 1.00 0.00 C ATOM 1240 CG TYR A 111 -2.337 17.740 10.293 1.00 0.00 C ATOM 1241 CD1 TYR A 111 -1.036 17.466 10.702 1.00 0.00 C ATOM 1242 CD2 TYR A 111 -3.120 18.556 11.104 1.00 0.00 C ATOM 1243 CE1 TYR A 111 -0.533 17.984 11.879 1.00 0.00 C ATOM 1244 CE2 TYR A 111 -2.623 19.079 12.280 1.00 0.00 C ATOM 1245 CZ TYR A 111 -1.330 18.790 12.664 1.00 0.00 C ATOM 1246 OH TYR A 111 -0.831 19.309 13.843 1.00 0.00 O ATOM 0 H TYR A 111 -3.089 14.212 7.548 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.202 15.182 9.322 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -2.184 17.362 8.195 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -3.816 17.676 8.751 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -0.408 16.837 10.088 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -4.133 18.784 10.808 1.00 0.00 H new ATOM 0 HE1 TYR A 111 0.479 17.759 12.183 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -3.244 19.712 12.897 1.00 0.00 H new ATOM 0 HH TYR A 111 -1.519 19.856 14.276 1.00 0.00 H new ATOM 1256 N GLU A 112 -4.041 14.084 10.663 1.00 0.00 N ATOM 1257 CA GLU A 112 -4.899 13.578 11.715 1.00 0.00 C ATOM 1258 C GLU A 112 -4.132 12.550 12.530 1.00 0.00 C ATOM 1259 O GLU A 112 -3.653 12.842 13.626 1.00 0.00 O ATOM 1260 CB GLU A 112 -6.175 12.958 11.109 1.00 0.00 C ATOM 1261 CG GLU A 112 -7.107 12.298 12.119 1.00 0.00 C ATOM 1262 CD GLU A 112 -7.561 13.241 13.205 1.00 0.00 C ATOM 1263 OE1 GLU A 112 -8.536 13.982 12.987 1.00 0.00 O ATOM 1264 OE2 GLU A 112 -6.950 13.237 14.291 1.00 0.00 O ATOM 0 H GLU A 112 -3.338 13.416 10.347 1.00 0.00 H new ATOM 0 HA GLU A 112 -5.202 14.396 12.369 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -6.726 13.737 10.583 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.884 12.216 10.366 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.980 11.906 11.597 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.598 11.448 12.573 1.00 0.00 H new ATOM 1271 N THR A 113 -3.982 11.365 11.980 1.00 0.00 N ATOM 1272 CA THR A 113 -3.242 10.326 12.639 1.00 0.00 C ATOM 1273 C THR A 113 -1.760 10.438 12.301 1.00 0.00 C ATOM 1274 O THR A 113 -1.289 9.899 11.297 1.00 0.00 O ATOM 1275 CB THR A 113 -3.767 8.940 12.251 1.00 0.00 C ATOM 1276 OG1 THR A 113 -5.195 8.927 12.376 1.00 0.00 O ATOM 1277 CG2 THR A 113 -3.172 7.873 13.156 1.00 0.00 C ATOM 0 H THR A 113 -4.367 11.102 11.073 1.00 0.00 H new ATOM 0 HA THR A 113 -3.373 10.450 13.714 1.00 0.00 H new ATOM 0 HB THR A 113 -3.479 8.727 11.222 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.514 8.000 12.386 1.00 0.00 H new ATOM 0 HG21 THR A 113 -3.556 6.895 12.866 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.086 7.879 13.061 1.00 0.00 H new ATOM 0 HG23 THR A 113 -3.447 8.079 14.191 1.00 0.00 H new ATOM 1285 N THR A 114 -1.056 11.185 13.114 1.00 0.00 N ATOM 1286 CA THR A 114 0.363 11.403 12.942 1.00 0.00 C ATOM 1287 C THR A 114 0.966 11.791 14.290 1.00 0.00 C ATOM 1288 O THR A 114 2.012 12.434 14.366 1.00 0.00 O ATOM 1289 CB THR A 114 0.628 12.518 11.884 1.00 0.00 C ATOM 1290 OG1 THR A 114 2.035 12.676 11.655 1.00 0.00 O ATOM 1291 CG2 THR A 114 0.026 13.851 12.323 1.00 0.00 C ATOM 0 H THR A 114 -1.453 11.664 13.922 1.00 0.00 H new ATOM 0 HA THR A 114 0.829 10.487 12.580 1.00 0.00 H new ATOM 0 HB THR A 114 0.148 12.209 10.956 1.00 0.00 H new ATOM 0 HG1 THR A 114 2.253 12.383 10.746 1.00 0.00 H new ATOM 0 HG21 THR A 114 0.227 14.608 11.565 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.051 13.740 12.448 1.00 0.00 H new ATOM 0 HG23 THR A 114 0.472 14.157 13.269 1.00 0.00 H new ATOM 1299 N ASP A 115 0.290 11.356 15.344 1.00 0.00 N ATOM 1300 CA ASP A 115 0.676 11.660 16.711 1.00 0.00 C ATOM 1301 C ASP A 115 1.963 10.947 17.117 1.00 0.00 C ATOM 1302 O ASP A 115 2.404 9.992 16.460 1.00 0.00 O ATOM 1303 CB ASP A 115 -0.461 11.324 17.677 1.00 0.00 C ATOM 1304 CG ASP A 115 -0.970 9.913 17.504 1.00 0.00 C ATOM 1305 OD1 ASP A 115 -1.868 9.701 16.659 1.00 0.00 O ATOM 1306 OD2 ASP A 115 -0.482 9.016 18.209 1.00 0.00 O ATOM 0 H ASP A 115 -0.547 10.778 15.272 1.00 0.00 H new ATOM 0 HA ASP A 115 0.874 12.731 16.763 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -0.114 11.458 18.702 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.282 12.024 17.524 1.00 0.00 H new ATOM 1311 N LYS A 116 2.543 11.410 18.219 1.00 0.00 N ATOM 1312 CA LYS A 116 3.838 10.936 18.707 1.00 0.00 C ATOM 1313 C LYS A 116 3.824 9.442 19.102 1.00 0.00 C ATOM 1314 O LYS A 116 4.884 8.846 19.317 1.00 0.00 O ATOM 1315 CB LYS A 116 4.276 11.801 19.898 1.00 0.00 C ATOM 1316 CG LYS A 116 5.759 11.734 20.218 1.00 0.00 C ATOM 1317 CD LYS A 116 6.109 12.621 21.404 1.00 0.00 C ATOM 1318 CE LYS A 116 7.611 12.661 21.654 1.00 0.00 C ATOM 1319 NZ LYS A 116 8.339 13.368 20.568 1.00 0.00 N ATOM 0 H LYS A 116 2.125 12.132 18.806 1.00 0.00 H new ATOM 0 HA LYS A 116 4.552 11.029 17.889 1.00 0.00 H new ATOM 0 HB2 LYS A 116 4.008 12.838 19.695 1.00 0.00 H new ATOM 0 HB3 LYS A 116 3.713 11.494 20.780 1.00 0.00 H new ATOM 0 HG2 LYS A 116 6.040 10.704 20.436 1.00 0.00 H new ATOM 0 HG3 LYS A 116 6.336 12.044 19.347 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.743 13.632 21.223 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.601 12.253 22.296 1.00 0.00 H new ATOM 0 HE2 LYS A 116 7.807 13.157 22.604 1.00 0.00 H new ATOM 0 HE3 LYS A 116 7.991 11.643 21.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 9.218 13.774 20.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 8.567 12.696 19.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 7.741 14.130 20.188 1.00 0.00 H new ATOM 1333 N HIS A 117 2.638 8.841 19.194 1.00 0.00 N ATOM 1334 CA HIS A 117 2.540 7.421 19.557 1.00 0.00 C ATOM 1335 C HIS A 117 3.056 6.548 18.426 1.00 0.00 C ATOM 1336 O HIS A 117 3.723 5.538 18.660 1.00 0.00 O ATOM 1337 CB HIS A 117 1.101 7.014 19.886 1.00 0.00 C ATOM 1338 CG HIS A 117 0.485 7.755 21.030 1.00 0.00 C ATOM 1339 ND1 HIS A 117 -0.478 8.715 20.860 1.00 0.00 N ATOM 1340 CD2 HIS A 117 0.676 7.652 22.365 1.00 0.00 C ATOM 1341 CE1 HIS A 117 -0.855 9.176 22.031 1.00 0.00 C ATOM 1342 NE2 HIS A 117 -0.172 8.547 22.962 1.00 0.00 N ATOM 0 H HIS A 117 1.744 9.302 19.026 1.00 0.00 H new ATOM 0 HA HIS A 117 3.152 7.276 20.448 1.00 0.00 H new ATOM 0 HB2 HIS A 117 0.484 7.164 19.000 1.00 0.00 H new ATOM 0 HB3 HIS A 117 1.082 5.947 20.110 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -0.846 9.025 19.961 1.00 0.00 H new ATOM 0 HD2 HIS A 117 1.366 6.989 22.866 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -1.599 9.941 22.200 1.00 0.00 H new ATOM 1351 N LEU A 118 2.747 6.939 17.196 1.00 0.00 N ATOM 1352 CA LEU A 118 3.181 6.186 16.030 1.00 0.00 C ATOM 1353 C LEU A 118 4.672 6.307 15.852 1.00 0.00 C ATOM 1354 O LEU A 118 5.377 5.309 15.728 1.00 0.00 O ATOM 1355 CB LEU A 118 2.473 6.687 14.771 1.00 0.00 C ATOM 1356 CG LEU A 118 0.999 6.325 14.637 1.00 0.00 C ATOM 1357 CD1 LEU A 118 0.401 7.000 13.416 1.00 0.00 C ATOM 1358 CD2 LEU A 118 0.833 4.817 14.539 1.00 0.00 C ATOM 0 H LEU A 118 2.198 7.772 16.982 1.00 0.00 H new ATOM 0 HA LEU A 118 2.923 5.139 16.188 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.563 7.773 14.737 1.00 0.00 H new ATOM 0 HB3 LEU A 118 3.002 6.295 13.902 1.00 0.00 H new ATOM 0 HG LEU A 118 0.472 6.677 15.524 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.652 6.733 13.332 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.494 8.081 13.516 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.931 6.671 12.522 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -0.225 4.573 14.444 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.371 4.448 13.666 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.234 4.348 15.437 1.00 0.00 H new ATOM 1370 N SER A 119 5.148 7.527 15.865 1.00 0.00 N ATOM 1371 CA SER A 119 6.549 7.805 15.717 1.00 0.00 C ATOM 1372 C SER A 119 6.923 8.996 16.596 1.00 0.00 C ATOM 1373 O SER A 119 6.340 10.071 16.458 1.00 0.00 O ATOM 1374 CB SER A 119 6.865 8.103 14.251 1.00 0.00 C ATOM 1375 OG SER A 119 6.506 7.011 13.416 1.00 0.00 O ATOM 0 H SER A 119 4.568 8.358 15.979 1.00 0.00 H new ATOM 0 HA SER A 119 7.131 6.937 16.028 1.00 0.00 H new ATOM 0 HB2 SER A 119 6.328 8.998 13.935 1.00 0.00 H new ATOM 0 HB3 SER A 119 7.929 8.314 14.141 1.00 0.00 H new ATOM 0 HG SER A 119 6.905 7.132 12.529 1.00 0.00 H new ATOM 1381 N PRO A 120 7.892 8.823 17.522 1.00 0.00 N ATOM 1382 CA PRO A 120 8.290 9.890 18.449 1.00 0.00 C ATOM 1383 C PRO A 120 8.819 11.131 17.731 1.00 0.00 C ATOM 1384 O PRO A 120 8.491 12.253 18.097 1.00 0.00 O ATOM 1385 CB PRO A 120 9.394 9.246 19.302 1.00 0.00 C ATOM 1386 CG PRO A 120 9.848 8.053 18.529 1.00 0.00 C ATOM 1387 CD PRO A 120 8.665 7.589 17.732 1.00 0.00 C ATOM 0 HA PRO A 120 7.441 10.247 19.033 1.00 0.00 H new ATOM 0 HB2 PRO A 120 10.216 9.941 19.470 1.00 0.00 H new ATOM 0 HB3 PRO A 120 9.015 8.958 20.282 1.00 0.00 H new ATOM 0 HG2 PRO A 120 10.681 8.309 17.874 1.00 0.00 H new ATOM 0 HG3 PRO A 120 10.198 7.267 19.198 1.00 0.00 H new ATOM 0 HD2 PRO A 120 8.969 7.139 16.787 1.00 0.00 H new ATOM 0 HD3 PRO A 120 8.086 6.839 18.271 1.00 0.00 H new ATOM 1395 N ASP A 121 9.637 10.914 16.724 1.00 0.00 N ATOM 1396 CA ASP A 121 10.190 12.005 15.925 1.00 0.00 C ATOM 1397 C ASP A 121 9.706 11.903 14.482 1.00 0.00 C ATOM 1398 O ASP A 121 10.424 12.253 13.548 1.00 0.00 O ATOM 1399 CB ASP A 121 11.725 11.982 15.983 1.00 0.00 C ATOM 1400 CG ASP A 121 12.317 10.747 15.335 1.00 0.00 C ATOM 1401 OD1 ASP A 121 12.043 9.625 15.812 1.00 0.00 O ATOM 1402 OD2 ASP A 121 13.064 10.888 14.348 1.00 0.00 O ATOM 0 H ASP A 121 9.941 9.985 16.431 1.00 0.00 H new ATOM 0 HA ASP A 121 9.843 12.952 16.338 1.00 0.00 H new ATOM 0 HB2 ASP A 121 12.116 12.870 15.487 1.00 0.00 H new ATOM 0 HB3 ASP A 121 12.046 12.030 17.024 1.00 0.00 H new ATOM 1407 N GLY A 122 8.467 11.446 14.326 1.00 0.00 N ATOM 1408 CA GLY A 122 7.878 11.250 13.007 1.00 0.00 C ATOM 1409 C GLY A 122 7.832 12.513 12.157 1.00 0.00 C ATOM 1410 O GLY A 122 6.900 13.307 12.256 1.00 0.00 O ATOM 0 H GLY A 122 7.850 11.204 15.101 1.00 0.00 H new ATOM 0 HA2 GLY A 122 8.447 10.487 12.476 1.00 0.00 H new ATOM 0 HA3 GLY A 122 6.864 10.867 13.126 1.00 0.00 H new ATOM 1414 N GLN A 123 8.837 12.679 11.314 1.00 0.00 N ATOM 1415 CA GLN A 123 8.923 13.813 10.398 1.00 0.00 C ATOM 1416 C GLN A 123 8.809 13.325 8.965 1.00 0.00 C ATOM 1417 O GLN A 123 9.291 13.970 8.035 1.00 0.00 O ATOM 1418 CB GLN A 123 10.235 14.580 10.594 1.00 0.00 C ATOM 1419 CG GLN A 123 10.322 15.326 11.915 1.00 0.00 C ATOM 1420 CD GLN A 123 9.157 16.280 12.128 1.00 0.00 C ATOM 1421 OE1 GLN A 123 8.572 16.798 11.167 1.00 0.00 O ATOM 1422 NE2 GLN A 123 8.822 16.529 13.377 1.00 0.00 N ATOM 0 H GLN A 123 9.621 12.031 11.242 1.00 0.00 H new ATOM 0 HA GLN A 123 8.100 14.494 10.613 1.00 0.00 H new ATOM 0 HB2 GLN A 123 11.067 13.879 10.529 1.00 0.00 H new ATOM 0 HB3 GLN A 123 10.353 15.292 9.777 1.00 0.00 H new ATOM 0 HG2 GLN A 123 10.351 14.606 12.733 1.00 0.00 H new ATOM 0 HG3 GLN A 123 11.256 15.886 11.950 1.00 0.00 H new ATOM 0 HE21 GLN A 123 9.330 16.081 14.140 1.00 0.00 H new ATOM 0 HE22 GLN A 123 8.055 17.169 13.581 1.00 0.00 H new ATOM 1431 N TYR A 124 8.150 12.183 8.811 1.00 0.00 N ATOM 1432 CA TYR A 124 8.001 11.515 7.521 1.00 0.00 C ATOM 1433 C TYR A 124 7.379 12.411 6.438 1.00 0.00 C ATOM 1434 O TYR A 124 6.756 13.434 6.718 1.00 0.00 O ATOM 1435 CB TYR A 124 7.153 10.243 7.673 1.00 0.00 C ATOM 1436 CG TYR A 124 7.833 9.114 8.419 1.00 0.00 C ATOM 1437 CD1 TYR A 124 7.824 9.062 9.807 1.00 0.00 C ATOM 1438 CD2 TYR A 124 8.473 8.092 7.729 1.00 0.00 C ATOM 1439 CE1 TYR A 124 8.437 8.023 10.485 1.00 0.00 C ATOM 1440 CE2 TYR A 124 9.088 7.052 8.399 1.00 0.00 C ATOM 1441 CZ TYR A 124 9.069 7.022 9.774 1.00 0.00 C ATOM 1442 OH TYR A 124 9.674 5.983 10.446 1.00 0.00 O ATOM 0 H TYR A 124 7.700 11.690 9.582 1.00 0.00 H new ATOM 0 HA TYR A 124 9.010 11.264 7.193 1.00 0.00 H new ATOM 0 HB2 TYR A 124 6.229 10.499 8.192 1.00 0.00 H new ATOM 0 HB3 TYR A 124 6.874 9.888 6.681 1.00 0.00 H new ATOM 0 HD1 TYR A 124 7.331 9.844 10.365 1.00 0.00 H new ATOM 0 HD2 TYR A 124 8.490 8.111 6.649 1.00 0.00 H new ATOM 0 HE1 TYR A 124 8.421 7.995 11.565 1.00 0.00 H new ATOM 0 HE2 TYR A 124 9.581 6.266 7.846 1.00 0.00 H new ATOM 0 HH TYR A 124 10.072 5.363 9.800 1.00 0.00 H new ATOM 1452 N VAL A 125 7.531 11.956 5.215 1.00 0.00 N ATOM 1453 CA VAL A 125 7.064 12.648 4.025 1.00 0.00 C ATOM 1454 C VAL A 125 6.248 11.652 3.195 1.00 0.00 C ATOM 1455 O VAL A 125 6.478 10.450 3.328 1.00 0.00 O ATOM 1456 CB VAL A 125 8.286 13.178 3.195 1.00 0.00 C ATOM 1457 CG1 VAL A 125 9.102 12.028 2.623 1.00 0.00 C ATOM 1458 CG2 VAL A 125 7.858 14.142 2.089 1.00 0.00 C ATOM 0 H VAL A 125 7.995 11.071 5.010 1.00 0.00 H new ATOM 0 HA VAL A 125 6.448 13.504 4.299 1.00 0.00 H new ATOM 0 HB VAL A 125 8.918 13.737 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 125 9.942 12.426 2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 125 9.477 11.408 3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 125 8.472 11.425 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 125 8.737 14.482 1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 125 7.180 13.632 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 125 7.351 15.000 2.530 1.00 0.00 H new ATOM 1468 N PRO A 126 5.231 12.131 2.390 1.00 0.00 N ATOM 1469 CA PRO A 126 4.412 11.297 1.506 1.00 0.00 C ATOM 1470 C PRO A 126 5.101 10.012 1.050 1.00 0.00 C ATOM 1471 O PRO A 126 5.937 10.012 0.148 1.00 0.00 O ATOM 1472 CB PRO A 126 4.160 12.232 0.335 1.00 0.00 C ATOM 1473 CG PRO A 126 4.100 13.605 0.954 1.00 0.00 C ATOM 1474 CD PRO A 126 4.771 13.522 2.321 1.00 0.00 C ATOM 0 HA PRO A 126 3.513 10.931 2.002 1.00 0.00 H new ATOM 0 HB2 PRO A 126 4.957 12.165 -0.405 1.00 0.00 H new ATOM 0 HB3 PRO A 126 3.229 11.986 -0.176 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.608 14.333 0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 126 3.066 13.936 1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 126 5.601 14.224 2.405 1.00 0.00 H new ATOM 0 HD3 PRO A 126 4.074 13.755 3.126 1.00 0.00 H new ATOM 1482 N ARG A 127 4.737 8.936 1.708 1.00 0.00 N ATOM 1483 CA ARG A 127 5.284 7.620 1.472 1.00 0.00 C ATOM 1484 C ARG A 127 4.323 6.627 2.110 1.00 0.00 C ATOM 1485 O ARG A 127 3.179 6.988 2.427 1.00 0.00 O ATOM 1486 CB ARG A 127 6.676 7.509 2.135 1.00 0.00 C ATOM 1487 CG ARG A 127 7.783 6.982 1.219 1.00 0.00 C ATOM 1488 CD ARG A 127 7.620 5.498 0.915 1.00 0.00 C ATOM 1489 NE ARG A 127 8.680 4.992 0.035 1.00 0.00 N ATOM 1490 CZ ARG A 127 9.692 4.217 0.431 1.00 0.00 C ATOM 1491 NH1 ARG A 127 9.787 3.829 1.696 1.00 0.00 N ATOM 1492 NH2 ARG A 127 10.594 3.817 -0.444 1.00 0.00 N ATOM 0 H ARG A 127 4.031 8.953 2.444 1.00 0.00 H new ATOM 0 HA ARG A 127 5.399 7.423 0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.967 8.493 2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 127 6.599 6.853 3.002 1.00 0.00 H new ATOM 0 HG2 ARG A 127 7.779 7.545 0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 127 8.752 7.151 1.689 1.00 0.00 H new ATOM 0 HD2 ARG A 127 7.626 4.935 1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 127 6.650 5.329 0.447 1.00 0.00 H new ATOM 0 HE ARG A 127 8.640 5.251 -0.951 1.00 0.00 H new ATOM 0 HH11 ARG A 127 9.084 4.123 2.374 1.00 0.00 H new ATOM 0 HH12 ARG A 127 10.563 3.237 1.991 1.00 0.00 H new ATOM 0 HH21 ARG A 127 10.517 4.100 -1.421 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.368 3.225 -0.144 1.00 0.00 H new ATOM 1506 N ILE A 128 4.760 5.420 2.331 1.00 0.00 N ATOM 1507 CA ILE A 128 3.908 4.422 2.925 1.00 0.00 C ATOM 1508 C ILE A 128 4.315 4.117 4.360 1.00 0.00 C ATOM 1509 O ILE A 128 5.501 4.068 4.692 1.00 0.00 O ATOM 1510 CB ILE A 128 3.896 3.125 2.104 1.00 0.00 C ATOM 1511 CG1 ILE A 128 5.324 2.665 1.814 1.00 0.00 C ATOM 1512 CG2 ILE A 128 3.114 3.325 0.810 1.00 0.00 C ATOM 1513 CD1 ILE A 128 5.402 1.338 1.099 1.00 0.00 C ATOM 0 H ILE A 128 5.703 5.100 2.109 1.00 0.00 H new ATOM 0 HA ILE A 128 2.901 4.839 2.931 1.00 0.00 H new ATOM 0 HB ILE A 128 3.401 2.347 2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 128 5.825 3.422 1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 128 5.871 2.594 2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 128 3.114 2.397 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 128 2.088 3.607 1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.581 4.114 0.221 1.00 0.00 H new ATOM 0 HD11 ILE A 128 6.447 1.078 0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 128 4.931 0.567 1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 128 4.884 1.409 0.142 1.00 0.00 H new ATOM 1525 N MET A 129 3.319 3.934 5.196 1.00 0.00 N ATOM 1526 CA MET A 129 3.506 3.587 6.589 1.00 0.00 C ATOM 1527 C MET A 129 2.474 2.520 6.922 1.00 0.00 C ATOM 1528 O MET A 129 1.449 2.442 6.251 1.00 0.00 O ATOM 1529 CB MET A 129 3.320 4.838 7.464 1.00 0.00 C ATOM 1530 CG MET A 129 3.692 4.653 8.924 1.00 0.00 C ATOM 1531 SD MET A 129 3.578 6.194 9.863 1.00 0.00 S ATOM 1532 CE MET A 129 4.133 5.643 11.477 1.00 0.00 C ATOM 0 H MET A 129 2.340 4.023 4.924 1.00 0.00 H new ATOM 0 HA MET A 129 4.510 3.207 6.778 1.00 0.00 H new ATOM 0 HB2 MET A 129 3.922 5.647 7.050 1.00 0.00 H new ATOM 0 HB3 MET A 129 2.278 5.154 7.406 1.00 0.00 H new ATOM 0 HG2 MET A 129 3.035 3.908 9.372 1.00 0.00 H new ATOM 0 HG3 MET A 129 4.708 4.264 8.991 1.00 0.00 H new ATOM 0 HE1 MET A 129 4.375 6.509 12.094 1.00 0.00 H new ATOM 0 HE2 MET A 129 3.342 5.065 11.956 1.00 0.00 H new ATOM 0 HE3 MET A 129 5.020 5.020 11.364 1.00 0.00 H new ATOM 1542 N PHE A 130 2.715 1.695 7.922 1.00 0.00 N ATOM 1543 CA PHE A 130 1.795 0.605 8.192 1.00 0.00 C ATOM 1544 C PHE A 130 1.580 0.383 9.676 1.00 0.00 C ATOM 1545 O PHE A 130 2.520 0.415 10.470 1.00 0.00 O ATOM 1546 CB PHE A 130 2.313 -0.685 7.538 1.00 0.00 C ATOM 1547 CG PHE A 130 1.621 -1.949 7.993 1.00 0.00 C ATOM 1548 CD1 PHE A 130 0.428 -2.348 7.420 1.00 0.00 C ATOM 1549 CD2 PHE A 130 2.175 -2.739 8.995 1.00 0.00 C ATOM 1550 CE1 PHE A 130 -0.202 -3.507 7.830 1.00 0.00 C ATOM 1551 CE2 PHE A 130 1.551 -3.898 9.411 1.00 0.00 C ATOM 1552 CZ PHE A 130 0.359 -4.283 8.827 1.00 0.00 C ATOM 0 H PHE A 130 3.518 1.754 8.548 1.00 0.00 H new ATOM 0 HA PHE A 130 0.830 0.879 7.765 1.00 0.00 H new ATOM 0 HB2 PHE A 130 2.204 -0.597 6.457 1.00 0.00 H new ATOM 0 HB3 PHE A 130 3.379 -0.777 7.744 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -0.017 -1.746 6.642 1.00 0.00 H new ATOM 0 HD2 PHE A 130 3.106 -2.441 9.454 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -1.133 -3.807 7.372 1.00 0.00 H new ATOM 0 HE2 PHE A 130 1.993 -4.502 10.190 1.00 0.00 H new ATOM 0 HZ PHE A 130 -0.133 -5.189 9.149 1.00 0.00 H new ATOM 1562 N VAL A 131 0.329 0.186 10.033 1.00 0.00 N ATOM 1563 CA VAL A 131 -0.032 -0.176 11.379 1.00 0.00 C ATOM 1564 C VAL A 131 -0.598 -1.598 11.388 1.00 0.00 C ATOM 1565 O VAL A 131 -1.468 -1.951 10.567 1.00 0.00 O ATOM 1566 CB VAL A 131 -1.031 0.839 12.020 1.00 0.00 C ATOM 1567 CG1 VAL A 131 -2.253 1.049 11.139 1.00 0.00 C ATOM 1568 CG2 VAL A 131 -1.449 0.386 13.420 1.00 0.00 C ATOM 0 H VAL A 131 -0.463 0.273 9.396 1.00 0.00 H new ATOM 0 HA VAL A 131 0.868 -0.143 11.994 1.00 0.00 H new ATOM 0 HB VAL A 131 -0.514 1.795 12.108 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -2.927 1.761 11.615 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -1.940 1.438 10.170 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -2.769 0.099 10.999 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -2.145 1.110 13.844 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.933 -0.589 13.358 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -0.568 0.313 14.057 1.00 0.00 H new ATOM 1578 N ASP A 132 -0.070 -2.417 12.282 1.00 0.00 N ATOM 1579 CA ASP A 132 -0.465 -3.813 12.378 1.00 0.00 C ATOM 1580 C ASP A 132 -1.920 -3.919 12.825 1.00 0.00 C ATOM 1581 O ASP A 132 -2.360 -3.147 13.688 1.00 0.00 O ATOM 1582 CB ASP A 132 0.453 -4.544 13.376 1.00 0.00 C ATOM 1583 CG ASP A 132 0.331 -6.056 13.307 1.00 0.00 C ATOM 1584 OD1 ASP A 132 -0.702 -6.601 13.737 1.00 0.00 O ATOM 1585 OD2 ASP A 132 1.273 -6.712 12.815 1.00 0.00 O ATOM 0 H ASP A 132 0.640 -2.136 12.958 1.00 0.00 H new ATOM 0 HA ASP A 132 -0.369 -4.279 11.398 1.00 0.00 H new ATOM 0 HB2 ASP A 132 1.488 -4.261 13.182 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.216 -4.213 14.387 1.00 0.00 H new ATOM 1590 N PRO A 133 -2.696 -4.863 12.237 1.00 0.00 N ATOM 1591 CA PRO A 133 -4.108 -5.079 12.601 1.00 0.00 C ATOM 1592 C PRO A 133 -4.293 -5.416 14.088 1.00 0.00 C ATOM 1593 O PRO A 133 -5.411 -5.426 14.593 1.00 0.00 O ATOM 1594 CB PRO A 133 -4.543 -6.266 11.721 1.00 0.00 C ATOM 1595 CG PRO A 133 -3.273 -6.884 11.235 1.00 0.00 C ATOM 1596 CD PRO A 133 -2.267 -5.773 11.163 1.00 0.00 C ATOM 0 HA PRO A 133 -4.701 -4.178 12.441 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -5.135 -6.982 12.291 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -5.162 -5.932 10.888 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.938 -7.669 11.913 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -3.414 -7.345 10.258 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -1.252 -6.137 11.325 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -2.278 -5.282 10.190 1.00 0.00 H new ATOM 1604 N SER A 134 -3.189 -5.688 14.777 1.00 0.00 N ATOM 1605 CA SER A 134 -3.217 -5.971 16.203 1.00 0.00 C ATOM 1606 C SER A 134 -3.186 -4.660 17.013 1.00 0.00 C ATOM 1607 O SER A 134 -2.918 -4.672 18.216 1.00 0.00 O ATOM 1608 CB SER A 134 -2.023 -6.848 16.579 1.00 0.00 C ATOM 1609 OG SER A 134 -1.873 -7.920 15.657 1.00 0.00 O ATOM 0 H SER A 134 -2.257 -5.718 14.364 1.00 0.00 H new ATOM 0 HA SER A 134 -4.140 -6.501 16.438 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.114 -6.246 16.594 1.00 0.00 H new ATOM 0 HB3 SER A 134 -2.160 -7.244 17.585 1.00 0.00 H new ATOM 0 HG SER A 134 -1.188 -7.689 14.995 1.00 0.00 H new ATOM 1615 N LEU A 135 -3.451 -3.532 16.326 1.00 0.00 N ATOM 1616 CA LEU A 135 -3.491 -2.205 16.958 1.00 0.00 C ATOM 1617 C LEU A 135 -2.136 -1.849 17.552 1.00 0.00 C ATOM 1618 O LEU A 135 -2.045 -1.370 18.686 1.00 0.00 O ATOM 1619 CB LEU A 135 -4.587 -2.143 18.052 1.00 0.00 C ATOM 1620 CG LEU A 135 -6.048 -1.997 17.575 1.00 0.00 C ATOM 1621 CD1 LEU A 135 -6.235 -0.713 16.795 1.00 0.00 C ATOM 1622 CD2 LEU A 135 -6.491 -3.192 16.745 1.00 0.00 C ATOM 0 H LEU A 135 -3.642 -3.518 15.324 1.00 0.00 H new ATOM 0 HA LEU A 135 -3.735 -1.476 16.185 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -4.516 -3.049 18.654 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -4.361 -1.305 18.711 1.00 0.00 H new ATOM 0 HG LEU A 135 -6.677 -1.959 18.465 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -7.272 -0.633 16.470 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -5.987 0.138 17.430 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -5.581 -0.718 15.923 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -7.524 -3.052 16.428 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -5.851 -3.282 15.867 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.415 -4.099 17.344 1.00 0.00 H new ATOM 1634 N THR A 136 -1.087 -2.037 16.766 1.00 0.00 N ATOM 1635 CA THR A 136 0.273 -1.818 17.240 1.00 0.00 C ATOM 1636 C THR A 136 1.223 -1.469 16.099 1.00 0.00 C ATOM 1637 O THR A 136 0.930 -1.717 14.926 1.00 0.00 O ATOM 1638 CB THR A 136 0.817 -3.073 17.967 1.00 0.00 C ATOM 1639 OG1 THR A 136 0.421 -4.251 17.258 1.00 0.00 O ATOM 1640 CG2 THR A 136 0.317 -3.145 19.399 1.00 0.00 C ATOM 0 H THR A 136 -1.151 -2.341 15.795 1.00 0.00 H new ATOM 0 HA THR A 136 0.227 -0.978 17.933 1.00 0.00 H new ATOM 0 HB THR A 136 1.905 -3.004 17.992 1.00 0.00 H new ATOM 0 HG1 THR A 136 0.768 -5.043 17.719 1.00 0.00 H new ATOM 0 HG21 THR A 136 0.718 -4.037 19.880 1.00 0.00 H new ATOM 0 HG22 THR A 136 0.646 -2.260 19.944 1.00 0.00 H new ATOM 0 HG23 THR A 136 -0.772 -3.189 19.402 1.00 0.00 H new ATOM 1648 N VAL A 137 2.351 -0.873 16.451 1.00 0.00 N ATOM 1649 CA VAL A 137 3.393 -0.577 15.493 1.00 0.00 C ATOM 1650 C VAL A 137 4.462 -1.649 15.618 1.00 0.00 C ATOM 1651 O VAL A 137 5.017 -1.852 16.700 1.00 0.00 O ATOM 1652 CB VAL A 137 4.026 0.816 15.743 1.00 0.00 C ATOM 1653 CG1 VAL A 137 5.067 1.136 14.677 1.00 0.00 C ATOM 1654 CG2 VAL A 137 2.953 1.895 15.788 1.00 0.00 C ATOM 0 H VAL A 137 2.565 -0.584 17.405 1.00 0.00 H new ATOM 0 HA VAL A 137 2.961 -0.564 14.492 1.00 0.00 H new ATOM 0 HB VAL A 137 4.527 0.792 16.711 1.00 0.00 H new ATOM 0 HG11 VAL A 137 5.498 2.118 14.872 1.00 0.00 H new ATOM 0 HG12 VAL A 137 5.855 0.383 14.700 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.594 1.136 13.695 1.00 0.00 H new ATOM 0 HG21 VAL A 137 3.419 2.864 15.964 1.00 0.00 H new ATOM 0 HG22 VAL A 137 2.419 1.917 14.838 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.252 1.678 16.594 1.00 0.00 H new ATOM 1664 N ARG A 138 4.751 -2.328 14.536 1.00 0.00 N ATOM 1665 CA ARG A 138 5.687 -3.426 14.573 1.00 0.00 C ATOM 1666 C ARG A 138 6.869 -3.124 13.684 1.00 0.00 C ATOM 1667 O ARG A 138 6.804 -3.309 12.491 1.00 0.00 O ATOM 1668 CB ARG A 138 4.992 -4.710 14.131 1.00 0.00 C ATOM 1669 CG ARG A 138 5.847 -5.949 14.248 1.00 0.00 C ATOM 1670 CD ARG A 138 5.170 -7.007 15.098 1.00 0.00 C ATOM 1671 NE ARG A 138 3.871 -7.407 14.544 1.00 0.00 N ATOM 1672 CZ ARG A 138 3.260 -8.553 14.832 1.00 0.00 C ATOM 1673 NH1 ARG A 138 3.817 -9.415 15.671 1.00 0.00 N ATOM 1674 NH2 ARG A 138 2.087 -8.828 14.284 1.00 0.00 N ATOM 0 H ARG A 138 4.351 -2.140 13.617 1.00 0.00 H new ATOM 0 HA ARG A 138 6.049 -3.560 15.592 1.00 0.00 H new ATOM 0 HB2 ARG A 138 4.091 -4.846 14.729 1.00 0.00 H new ATOM 0 HB3 ARG A 138 4.673 -4.599 13.095 1.00 0.00 H new ATOM 0 HG2 ARG A 138 6.047 -6.351 13.255 1.00 0.00 H new ATOM 0 HG3 ARG A 138 6.810 -5.689 14.686 1.00 0.00 H new ATOM 0 HD2 ARG A 138 5.817 -7.881 15.173 1.00 0.00 H new ATOM 0 HD3 ARG A 138 5.031 -6.626 16.110 1.00 0.00 H new ATOM 0 HE ARG A 138 3.408 -6.767 13.899 1.00 0.00 H new ATOM 0 HH11 ARG A 138 4.718 -9.201 16.099 1.00 0.00 H new ATOM 0 HH12 ARG A 138 3.345 -10.292 15.889 1.00 0.00 H new ATOM 0 HH21 ARG A 138 1.655 -8.162 13.643 1.00 0.00 H new ATOM 0 HH22 ARG A 138 1.615 -9.706 14.502 1.00 0.00 H new ATOM 1688 N ALA A 139 7.943 -2.659 14.276 1.00 0.00 N ATOM 1689 CA ALA A 139 9.107 -2.246 13.521 1.00 0.00 C ATOM 1690 C ALA A 139 10.294 -3.162 13.796 1.00 0.00 C ATOM 1691 O ALA A 139 11.283 -2.758 14.412 1.00 0.00 O ATOM 1692 CB ALA A 139 9.444 -0.796 13.832 1.00 0.00 C ATOM 0 H ALA A 139 8.037 -2.556 15.286 1.00 0.00 H new ATOM 0 HA ALA A 139 8.877 -2.325 12.458 1.00 0.00 H new ATOM 0 HB1 ALA A 139 10.321 -0.495 13.259 1.00 0.00 H new ATOM 0 HB2 ALA A 139 8.600 -0.161 13.564 1.00 0.00 H new ATOM 0 HB3 ALA A 139 9.653 -0.691 14.897 1.00 0.00 H new ATOM 1698 N ASP A 140 10.180 -4.398 13.357 1.00 0.00 N ATOM 1699 CA ASP A 140 11.225 -5.396 13.578 1.00 0.00 C ATOM 1700 C ASP A 140 12.058 -5.605 12.330 1.00 0.00 C ATOM 1701 O ASP A 140 13.159 -6.155 12.392 1.00 0.00 O ATOM 1702 CB ASP A 140 10.610 -6.731 14.004 1.00 0.00 C ATOM 1703 CG ASP A 140 9.915 -6.667 15.347 1.00 0.00 C ATOM 1704 OD1 ASP A 140 8.810 -6.101 15.421 1.00 0.00 O ATOM 1705 OD2 ASP A 140 10.472 -7.190 16.334 1.00 0.00 O ATOM 0 H ASP A 140 9.371 -4.745 12.841 1.00 0.00 H new ATOM 0 HA ASP A 140 11.871 -5.022 14.372 1.00 0.00 H new ATOM 0 HB2 ASP A 140 9.894 -7.052 13.247 1.00 0.00 H new ATOM 0 HB3 ASP A 140 11.393 -7.488 14.043 1.00 0.00 H new ATOM 1710 N ILE A 141 11.539 -5.161 11.205 1.00 0.00 N ATOM 1711 CA ILE A 141 12.216 -5.324 9.931 1.00 0.00 C ATOM 1712 C ILE A 141 13.452 -4.458 9.867 1.00 0.00 C ATOM 1713 O ILE A 141 13.420 -3.278 10.228 1.00 0.00 O ATOM 1714 CB ILE A 141 11.274 -4.982 8.754 1.00 0.00 C ATOM 1715 CG1 ILE A 141 10.151 -6.004 8.680 1.00 0.00 C ATOM 1716 CG2 ILE A 141 12.037 -4.919 7.427 1.00 0.00 C ATOM 1717 CD1 ILE A 141 8.980 -5.538 7.864 1.00 0.00 C ATOM 0 H ILE A 141 10.642 -4.680 11.145 1.00 0.00 H new ATOM 0 HA ILE A 141 12.513 -6.369 9.846 1.00 0.00 H new ATOM 0 HB ILE A 141 10.847 -3.995 8.932 1.00 0.00 H new ATOM 0 HG12 ILE A 141 10.538 -6.929 8.253 1.00 0.00 H new ATOM 0 HG13 ILE A 141 9.813 -6.236 9.690 1.00 0.00 H new ATOM 0 HG21 ILE A 141 11.345 -4.676 6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 141 12.808 -4.151 7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 141 12.502 -5.885 7.228 1.00 0.00 H new ATOM 0 HD11 ILE A 141 8.214 -6.313 7.851 1.00 0.00 H new ATOM 0 HD12 ILE A 141 8.569 -4.629 8.303 1.00 0.00 H new ATOM 0 HD13 ILE A 141 9.306 -5.333 6.844 1.00 0.00 H new ATOM 1729 N THR A 142 14.538 -5.042 9.418 1.00 0.00 N ATOM 1730 CA THR A 142 15.771 -4.330 9.278 1.00 0.00 C ATOM 1731 C THR A 142 15.911 -3.872 7.831 1.00 0.00 C ATOM 1732 O THR A 142 15.463 -4.568 6.910 1.00 0.00 O ATOM 1733 CB THR A 142 16.959 -5.220 9.666 1.00 0.00 C ATOM 1734 OG1 THR A 142 16.637 -5.938 10.870 1.00 0.00 O ATOM 1735 CG2 THR A 142 18.191 -4.373 9.915 1.00 0.00 C ATOM 0 H THR A 142 14.584 -6.023 9.142 1.00 0.00 H new ATOM 0 HA THR A 142 15.766 -3.466 9.943 1.00 0.00 H new ATOM 0 HB THR A 142 17.161 -5.916 8.852 1.00 0.00 H new ATOM 0 HG1 THR A 142 17.392 -6.510 11.122 1.00 0.00 H new ATOM 0 HG21 THR A 142 19.026 -5.017 10.189 1.00 0.00 H new ATOM 0 HG22 THR A 142 18.441 -3.820 9.010 1.00 0.00 H new ATOM 0 HG23 THR A 142 17.993 -3.671 10.725 1.00 0.00 H new ATOM 1743 N GLY A 143 16.513 -2.720 7.626 1.00 0.00 N ATOM 1744 CA GLY A 143 16.607 -2.195 6.294 1.00 0.00 C ATOM 1745 C GLY A 143 17.991 -1.717 5.936 1.00 0.00 C ATOM 1746 O GLY A 143 18.826 -1.451 6.802 1.00 0.00 O ATOM 0 H GLY A 143 16.935 -2.143 8.354 1.00 0.00 H new ATOM 0 HA2 GLY A 143 16.302 -2.965 5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 143 15.906 -1.367 6.187 1.00 0.00 H new ATOM 1750 N ARG A 144 18.219 -1.635 4.656 1.00 0.00 N ATOM 1751 CA ARG A 144 19.429 -1.098 4.082 1.00 0.00 C ATOM 1752 C ARG A 144 18.956 -0.167 2.991 1.00 0.00 C ATOM 1753 O ARG A 144 17.818 -0.287 2.588 1.00 0.00 O ATOM 1754 CB ARG A 144 20.287 -2.236 3.520 1.00 0.00 C ATOM 1755 CG ARG A 144 21.659 -1.807 3.041 1.00 0.00 C ATOM 1756 CD ARG A 144 22.499 -3.004 2.633 1.00 0.00 C ATOM 1757 NE ARG A 144 21.843 -3.818 1.602 1.00 0.00 N ATOM 1758 CZ ARG A 144 22.479 -4.350 0.552 1.00 0.00 C ATOM 1759 NH1 ARG A 144 23.788 -4.154 0.394 1.00 0.00 N ATOM 1760 NH2 ARG A 144 21.809 -5.084 -0.332 1.00 0.00 N ATOM 0 H ARG A 144 17.547 -1.950 3.956 1.00 0.00 H new ATOM 0 HA ARG A 144 20.051 -0.574 4.808 1.00 0.00 H new ATOM 0 HB2 ARG A 144 20.406 -2.999 4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 144 19.755 -2.701 2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 144 21.555 -1.127 2.195 1.00 0.00 H new ATOM 0 HG3 ARG A 144 22.167 -1.256 3.832 1.00 0.00 H new ATOM 0 HD2 ARG A 144 23.464 -2.659 2.261 1.00 0.00 H new ATOM 0 HD3 ARG A 144 22.698 -3.622 3.509 1.00 0.00 H new ATOM 0 HE ARG A 144 20.841 -3.988 1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 144 24.306 -3.598 1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 144 24.271 -4.560 -0.407 1.00 0.00 H new ATOM 0 HH21 ARG A 144 20.809 -5.242 -0.210 1.00 0.00 H new ATOM 0 HH22 ARG A 144 22.295 -5.489 -1.132 1.00 0.00 H new ATOM 1774 N TYR A 145 19.774 0.713 2.464 1.00 0.00 N ATOM 1775 CA TYR A 145 19.264 1.694 1.544 1.00 0.00 C ATOM 1776 C TYR A 145 19.840 1.453 0.171 1.00 0.00 C ATOM 1777 O TYR A 145 20.927 1.920 -0.151 1.00 0.00 O ATOM 1778 CB TYR A 145 19.572 3.123 2.043 1.00 0.00 C ATOM 1779 CG TYR A 145 20.968 3.291 2.635 1.00 0.00 C ATOM 1780 CD1 TYR A 145 21.251 2.861 3.927 1.00 0.00 C ATOM 1781 CD2 TYR A 145 21.996 3.876 1.903 1.00 0.00 C ATOM 1782 CE1 TYR A 145 22.508 3.007 4.471 1.00 0.00 C ATOM 1783 CE2 TYR A 145 23.259 4.023 2.444 1.00 0.00 C ATOM 1784 CZ TYR A 145 23.507 3.586 3.726 1.00 0.00 C ATOM 1785 OH TYR A 145 24.762 3.725 4.265 1.00 0.00 O ATOM 0 H TYR A 145 20.775 0.769 2.653 1.00 0.00 H new ATOM 0 HA TYR A 145 18.180 1.597 1.483 1.00 0.00 H new ATOM 0 HB2 TYR A 145 19.456 3.819 1.212 1.00 0.00 H new ATOM 0 HB3 TYR A 145 18.834 3.400 2.796 1.00 0.00 H new ATOM 0 HD1 TYR A 145 20.470 2.403 4.516 1.00 0.00 H new ATOM 0 HD2 TYR A 145 21.804 4.220 0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 145 22.707 2.668 5.477 1.00 0.00 H new ATOM 0 HE2 TYR A 145 24.048 4.479 1.864 1.00 0.00 H new ATOM 0 HH TYR A 145 25.354 4.152 3.611 1.00 0.00 H new ATOM 1795 N SER A 146 19.141 0.672 -0.614 1.00 0.00 N ATOM 1796 CA SER A 146 19.606 0.347 -1.931 1.00 0.00 C ATOM 1797 C SER A 146 19.469 1.546 -2.863 1.00 0.00 C ATOM 1798 O SER A 146 20.462 2.118 -3.318 1.00 0.00 O ATOM 1799 CB SER A 146 18.843 -0.863 -2.463 1.00 0.00 C ATOM 1800 OG SER A 146 17.475 -0.789 -2.090 1.00 0.00 O ATOM 0 H SER A 146 18.247 0.251 -0.360 1.00 0.00 H new ATOM 0 HA SER A 146 20.665 0.092 -1.883 1.00 0.00 H new ATOM 0 HB2 SER A 146 18.929 -0.906 -3.549 1.00 0.00 H new ATOM 0 HB3 SER A 146 19.284 -1.780 -2.072 1.00 0.00 H new ATOM 0 HG SER A 146 16.998 -1.570 -2.439 1.00 0.00 H new ATOM 1806 N ASN A 147 18.247 1.928 -3.110 1.00 0.00 N ATOM 1807 CA ASN A 147 17.951 3.083 -3.929 1.00 0.00 C ATOM 1808 C ASN A 147 16.987 3.965 -3.206 1.00 0.00 C ATOM 1809 O ASN A 147 15.788 3.812 -3.372 1.00 0.00 O ATOM 1810 CB ASN A 147 17.370 2.694 -5.304 1.00 0.00 C ATOM 1811 CG ASN A 147 18.393 2.080 -6.253 1.00 0.00 C ATOM 1812 OD1 ASN A 147 19.301 1.367 -5.844 1.00 0.00 O ATOM 1813 ND2 ASN A 147 18.249 2.364 -7.529 1.00 0.00 N ATOM 0 H ASN A 147 17.421 1.449 -2.750 1.00 0.00 H new ATOM 0 HA ASN A 147 18.888 3.610 -4.111 1.00 0.00 H new ATOM 0 HB2 ASN A 147 16.555 1.986 -5.156 1.00 0.00 H new ATOM 0 HB3 ASN A 147 16.941 3.581 -5.771 1.00 0.00 H new ATOM 0 HD21 ASN A 147 18.905 1.987 -8.213 1.00 0.00 H new ATOM 0 HD22 ASN A 147 17.481 2.961 -7.835 1.00 0.00 H new ATOM 1820 N ARG A 148 17.532 4.871 -2.369 1.00 0.00 N ATOM 1821 CA ARG A 148 16.733 5.814 -1.560 1.00 0.00 C ATOM 1822 C ARG A 148 15.565 5.106 -0.882 1.00 0.00 C ATOM 1823 O ARG A 148 14.463 5.022 -1.412 1.00 0.00 O ATOM 1824 CB ARG A 148 16.284 7.044 -2.380 1.00 0.00 C ATOM 1825 CG ARG A 148 15.394 6.743 -3.578 1.00 0.00 C ATOM 1826 CD ARG A 148 15.264 7.952 -4.475 1.00 0.00 C ATOM 1827 NE ARG A 148 14.763 9.118 -3.756 1.00 0.00 N ATOM 1828 CZ ARG A 148 14.474 10.282 -4.326 1.00 0.00 C ATOM 1829 NH1 ARG A 148 14.658 10.450 -5.629 1.00 0.00 N ATOM 1830 NH2 ARG A 148 14.006 11.279 -3.594 1.00 0.00 N ATOM 0 H ARG A 148 18.538 4.970 -2.235 1.00 0.00 H new ATOM 0 HA ARG A 148 17.377 6.197 -0.768 1.00 0.00 H new ATOM 0 HB2 ARG A 148 15.753 7.727 -1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 148 17.172 7.568 -2.732 1.00 0.00 H new ATOM 0 HG2 ARG A 148 15.810 5.909 -4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 148 14.407 6.434 -3.234 1.00 0.00 H new ATOM 0 HD2 ARG A 148 16.235 8.185 -4.911 1.00 0.00 H new ATOM 0 HD3 ARG A 148 14.592 7.719 -5.301 1.00 0.00 H new ATOM 0 HE ARG A 148 14.626 9.034 -2.749 1.00 0.00 H new ATOM 0 HH11 ARG A 148 15.022 9.684 -6.196 1.00 0.00 H new ATOM 0 HH12 ARG A 148 14.435 11.345 -6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 148 13.867 11.154 -2.591 1.00 0.00 H new ATOM 0 HH22 ARG A 148 13.784 12.173 -4.032 1.00 0.00 H new ATOM 1844 N LEU A 149 15.821 4.621 0.306 1.00 0.00 N ATOM 1845 CA LEU A 149 14.896 3.758 1.001 1.00 0.00 C ATOM 1846 C LEU A 149 13.556 4.407 1.345 1.00 0.00 C ATOM 1847 O LEU A 149 12.623 3.702 1.747 1.00 0.00 O ATOM 1848 CB LEU A 149 15.537 3.151 2.238 1.00 0.00 C ATOM 1849 CG LEU A 149 14.994 1.775 2.629 1.00 0.00 C ATOM 1850 CD1 LEU A 149 15.329 0.737 1.547 1.00 0.00 C ATOM 1851 CD2 LEU A 149 15.537 1.349 3.983 1.00 0.00 C ATOM 0 H LEU A 149 16.680 4.813 0.822 1.00 0.00 H new ATOM 0 HA LEU A 149 14.660 2.965 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 149 16.611 3.069 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 149 15.396 3.834 3.076 1.00 0.00 H new ATOM 0 HG LEU A 149 13.909 1.841 2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 149 14.935 -0.236 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 149 14.879 1.039 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 149 16.411 0.670 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 149 15.139 0.368 4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 149 16.625 1.299 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 149 15.237 2.074 4.740 1.00 0.00 H new ATOM 1863 N TYR A 150 13.423 5.732 1.195 1.00 0.00 N ATOM 1864 CA TYR A 150 12.158 6.393 1.496 1.00 0.00 C ATOM 1865 C TYR A 150 11.951 7.526 0.492 1.00 0.00 C ATOM 1866 O TYR A 150 12.656 8.541 0.539 1.00 0.00 O ATOM 1867 CB TYR A 150 12.167 6.977 2.927 1.00 0.00 C ATOM 1868 CG TYR A 150 12.575 5.990 4.008 1.00 0.00 C ATOM 1869 CD1 TYR A 150 11.697 5.010 4.453 1.00 0.00 C ATOM 1870 CD2 TYR A 150 13.842 6.043 4.576 1.00 0.00 C ATOM 1871 CE1 TYR A 150 12.072 4.111 5.434 1.00 0.00 C ATOM 1872 CE2 TYR A 150 14.223 5.148 5.556 1.00 0.00 C ATOM 1873 CZ TYR A 150 13.337 4.185 5.982 1.00 0.00 C ATOM 1874 OH TYR A 150 13.716 3.289 6.957 1.00 0.00 O ATOM 0 H TYR A 150 14.165 6.353 0.872 1.00 0.00 H new ATOM 0 HA TYR A 150 11.351 5.664 1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 150 12.848 7.828 2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 150 11.172 7.357 3.157 1.00 0.00 H new ATOM 0 HD1 TYR A 150 10.707 4.949 4.026 1.00 0.00 H new ATOM 0 HD2 TYR A 150 14.541 6.797 4.245 1.00 0.00 H new ATOM 0 HE1 TYR A 150 11.379 3.354 5.770 1.00 0.00 H new ATOM 0 HE2 TYR A 150 15.212 5.203 5.986 1.00 0.00 H new ATOM 0 HH TYR A 150 14.637 3.478 7.235 1.00 0.00 H new ATOM 1884 N ALA A 151 10.994 7.357 -0.408 1.00 0.00 N ATOM 1885 CA ALA A 151 10.727 8.373 -1.422 1.00 0.00 C ATOM 1886 C ALA A 151 9.373 8.197 -2.092 1.00 0.00 C ATOM 1887 O ALA A 151 8.645 7.242 -1.820 1.00 0.00 O ATOM 1888 CB ALA A 151 11.823 8.350 -2.475 1.00 0.00 C ATOM 0 H ALA A 151 10.393 6.535 -0.460 1.00 0.00 H new ATOM 0 HA ALA A 151 10.711 9.336 -0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 151 11.619 9.110 -3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 151 12.784 8.555 -2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 151 11.853 7.368 -2.948 1.00 0.00 H new ATOM 1894 N TYR A 152 9.045 9.154 -2.948 1.00 0.00 N ATOM 1895 CA TYR A 152 7.857 9.101 -3.774 1.00 0.00 C ATOM 1896 C TYR A 152 8.288 8.980 -5.233 1.00 0.00 C ATOM 1897 O TYR A 152 9.159 8.154 -5.513 1.00 0.00 O ATOM 1898 CB TYR A 152 6.912 10.285 -3.491 1.00 0.00 C ATOM 1899 CG TYR A 152 7.611 11.536 -3.007 1.00 0.00 C ATOM 1900 CD1 TYR A 152 8.064 12.486 -3.895 1.00 0.00 C ATOM 1901 CD2 TYR A 152 7.817 11.757 -1.649 1.00 0.00 C ATOM 1902 CE1 TYR A 152 8.708 13.625 -3.455 1.00 0.00 C ATOM 1903 CE2 TYR A 152 8.458 12.890 -1.201 1.00 0.00 C ATOM 1904 CZ TYR A 152 8.903 13.821 -2.109 1.00 0.00 C ATOM 1905 OH TYR A 152 9.542 14.959 -1.672 1.00 0.00 O ATOM 0 H TYR A 152 9.604 9.996 -3.087 1.00 0.00 H new ATOM 0 HA TYR A 152 7.263 8.221 -3.529 1.00 0.00 H new ATOM 0 HB2 TYR A 152 6.360 10.520 -4.401 1.00 0.00 H new ATOM 0 HB3 TYR A 152 6.179 9.980 -2.744 1.00 0.00 H new ATOM 0 HD1 TYR A 152 7.913 12.337 -4.954 1.00 0.00 H new ATOM 0 HD2 TYR A 152 7.468 11.027 -0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 152 9.057 14.359 -4.166 1.00 0.00 H new ATOM 0 HE2 TYR A 152 8.610 13.046 -0.143 1.00 0.00 H new ATOM 0 HH TYR A 152 9.599 14.947 -0.694 1.00 0.00 H new ATOM 1915 N GLU A 153 7.780 9.813 -6.179 1.00 0.00 N ATOM 1916 CA GLU A 153 8.133 9.647 -7.606 1.00 0.00 C ATOM 1917 C GLU A 153 7.899 8.221 -8.164 1.00 0.00 C ATOM 1918 O GLU A 153 7.666 7.268 -7.427 1.00 0.00 O ATOM 1919 CB GLU A 153 9.590 10.075 -7.835 1.00 0.00 C ATOM 1920 CG GLU A 153 9.780 11.555 -8.100 1.00 0.00 C ATOM 1921 CD GLU A 153 9.259 12.450 -7.007 1.00 0.00 C ATOM 1922 OE1 GLU A 153 8.034 12.685 -6.951 1.00 0.00 O ATOM 1923 OE2 GLU A 153 10.083 12.947 -6.210 1.00 0.00 O ATOM 0 H GLU A 153 7.142 10.585 -5.984 1.00 0.00 H new ATOM 0 HA GLU A 153 7.452 10.292 -8.161 1.00 0.00 H new ATOM 0 HB2 GLU A 153 10.178 9.798 -6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 153 9.991 9.514 -8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 153 10.842 11.754 -8.241 1.00 0.00 H new ATOM 0 HG3 GLU A 153 9.280 11.812 -9.034 1.00 0.00 H new ATOM 1930 N PRO A 154 7.920 8.074 -9.504 1.00 0.00 N ATOM 1931 CA PRO A 154 7.865 6.765 -10.145 1.00 0.00 C ATOM 1932 C PRO A 154 9.222 6.057 -10.044 1.00 0.00 C ATOM 1933 O PRO A 154 9.369 4.905 -10.424 1.00 0.00 O ATOM 1934 CB PRO A 154 7.535 7.090 -11.618 1.00 0.00 C ATOM 1935 CG PRO A 154 7.183 8.544 -11.633 1.00 0.00 C ATOM 1936 CD PRO A 154 7.936 9.154 -10.498 1.00 0.00 C ATOM 0 HA PRO A 154 7.136 6.100 -9.683 1.00 0.00 H new ATOM 0 HB2 PRO A 154 8.387 6.885 -12.266 1.00 0.00 H new ATOM 0 HB3 PRO A 154 6.706 6.481 -11.979 1.00 0.00 H new ATOM 0 HG2 PRO A 154 7.462 9.005 -12.581 1.00 0.00 H new ATOM 0 HG3 PRO A 154 6.109 8.688 -11.513 1.00 0.00 H new ATOM 0 HD2 PRO A 154 8.951 9.430 -10.784 1.00 0.00 H new ATOM 0 HD3 PRO A 154 7.452 10.057 -10.126 1.00 0.00 H new ATOM 1944 N ALA A 155 10.205 6.774 -9.516 1.00 0.00 N ATOM 1945 CA ALA A 155 11.552 6.258 -9.358 1.00 0.00 C ATOM 1946 C ALA A 155 11.643 5.288 -8.192 1.00 0.00 C ATOM 1947 O ALA A 155 12.513 4.413 -8.169 1.00 0.00 O ATOM 1948 CB ALA A 155 12.531 7.405 -9.161 1.00 0.00 C ATOM 0 H ALA A 155 10.087 7.732 -9.185 1.00 0.00 H new ATOM 0 HA ALA A 155 11.811 5.714 -10.267 1.00 0.00 H new ATOM 0 HB1 ALA A 155 13.539 7.007 -9.043 1.00 0.00 H new ATOM 0 HB2 ALA A 155 12.500 8.063 -10.029 1.00 0.00 H new ATOM 0 HB3 ALA A 155 12.257 7.968 -8.269 1.00 0.00 H new ATOM 1954 N ASP A 156 10.749 5.430 -7.216 1.00 0.00 N ATOM 1955 CA ASP A 156 10.758 4.557 -6.052 1.00 0.00 C ATOM 1956 C ASP A 156 9.737 3.426 -6.229 1.00 0.00 C ATOM 1957 O ASP A 156 9.393 2.746 -5.293 1.00 0.00 O ATOM 1958 CB ASP A 156 10.445 5.387 -4.778 1.00 0.00 C ATOM 1959 CG ASP A 156 10.599 4.605 -3.496 1.00 0.00 C ATOM 1960 OD1 ASP A 156 11.709 4.129 -3.220 1.00 0.00 O ATOM 1961 OD2 ASP A 156 9.613 4.492 -2.744 1.00 0.00 O ATOM 0 H ASP A 156 10.015 6.138 -7.210 1.00 0.00 H new ATOM 0 HA ASP A 156 11.745 4.108 -5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 156 11.106 6.253 -4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 156 9.425 5.766 -4.843 1.00 0.00 H new ATOM 1966 N THR A 157 9.321 3.192 -7.475 1.00 0.00 N ATOM 1967 CA THR A 157 8.268 2.212 -7.765 1.00 0.00 C ATOM 1968 C THR A 157 8.594 0.796 -7.293 1.00 0.00 C ATOM 1969 O THR A 157 7.696 0.058 -6.888 1.00 0.00 O ATOM 1970 CB THR A 157 7.907 2.172 -9.260 1.00 0.00 C ATOM 1971 OG1 THR A 157 9.092 2.324 -10.062 1.00 0.00 O ATOM 1972 CG2 THR A 157 6.896 3.253 -9.602 1.00 0.00 C ATOM 0 H THR A 157 9.694 3.665 -8.298 1.00 0.00 H new ATOM 0 HA THR A 157 7.410 2.563 -7.192 1.00 0.00 H new ATOM 0 HB THR A 157 7.456 1.204 -9.477 1.00 0.00 H new ATOM 0 HG1 THR A 157 9.090 3.208 -10.485 1.00 0.00 H new ATOM 0 HG21 THR A 157 6.657 3.204 -10.664 1.00 0.00 H new ATOM 0 HG22 THR A 157 5.988 3.100 -9.018 1.00 0.00 H new ATOM 0 HG23 THR A 157 7.317 4.231 -9.369 1.00 0.00 H new ATOM 1980 N ALA A 158 9.864 0.406 -7.320 1.00 0.00 N ATOM 1981 CA ALA A 158 10.228 -0.939 -6.918 1.00 0.00 C ATOM 1982 C ALA A 158 10.340 -1.032 -5.408 1.00 0.00 C ATOM 1983 O ALA A 158 9.802 -1.949 -4.793 1.00 0.00 O ATOM 1984 CB ALA A 158 11.536 -1.354 -7.577 1.00 0.00 C ATOM 0 H ALA A 158 10.644 0.995 -7.612 1.00 0.00 H new ATOM 0 HA ALA A 158 9.444 -1.621 -7.246 1.00 0.00 H new ATOM 0 HB1 ALA A 158 11.796 -2.366 -7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 158 11.422 -1.326 -8.661 1.00 0.00 H new ATOM 0 HB3 ALA A 158 12.328 -0.668 -7.278 1.00 0.00 H new ATOM 1990 N LEU A 159 11.053 -0.083 -4.821 1.00 0.00 N ATOM 1991 CA LEU A 159 11.221 -0.030 -3.373 1.00 0.00 C ATOM 1992 C LEU A 159 9.870 0.153 -2.710 1.00 0.00 C ATOM 1993 O LEU A 159 9.567 -0.513 -1.744 1.00 0.00 O ATOM 1994 CB LEU A 159 12.173 1.114 -2.979 1.00 0.00 C ATOM 1995 CG LEU A 159 13.036 0.893 -1.714 1.00 0.00 C ATOM 1996 CD1 LEU A 159 12.184 0.695 -0.468 1.00 0.00 C ATOM 1997 CD2 LEU A 159 13.956 -0.291 -1.914 1.00 0.00 C ATOM 0 H LEU A 159 11.528 0.665 -5.326 1.00 0.00 H new ATOM 0 HA LEU A 159 11.661 -0.968 -3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 159 12.842 1.305 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 159 11.579 2.016 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 159 13.631 1.793 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 159 12.832 0.543 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 159 11.565 1.577 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 159 11.545 -0.178 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 159 14.559 -0.438 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 159 13.362 -1.185 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 159 14.610 -0.104 -2.765 1.00 0.00 H new ATOM 2009 N LEU A 160 9.074 1.056 -3.254 1.00 0.00 N ATOM 2010 CA LEU A 160 7.718 1.300 -2.771 1.00 0.00 C ATOM 2011 C LEU A 160 6.972 -0.035 -2.723 1.00 0.00 C ATOM 2012 O LEU A 160 6.347 -0.381 -1.722 1.00 0.00 O ATOM 2013 CB LEU A 160 6.988 2.271 -3.730 1.00 0.00 C ATOM 2014 CG LEU A 160 5.861 3.138 -3.137 1.00 0.00 C ATOM 2015 CD1 LEU A 160 4.842 2.299 -2.412 1.00 0.00 C ATOM 2016 CD2 LEU A 160 6.423 4.207 -2.223 1.00 0.00 C ATOM 0 H LEU A 160 9.345 1.643 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 160 7.751 1.746 -1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 160 7.732 2.938 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 160 6.568 1.685 -4.547 1.00 0.00 H new ATOM 0 HG LEU A 160 5.355 3.630 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.062 2.944 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.399 1.585 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 160 5.327 1.760 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 160 5.607 4.805 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 160 6.969 3.736 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 160 7.098 4.850 -2.787 1.00 0.00 H new ATOM 2028 N LEU A 161 7.093 -0.793 -3.804 1.00 0.00 N ATOM 2029 CA LEU A 161 6.441 -2.084 -3.922 1.00 0.00 C ATOM 2030 C LEU A 161 6.980 -3.096 -2.921 1.00 0.00 C ATOM 2031 O LEU A 161 6.209 -3.782 -2.247 1.00 0.00 O ATOM 2032 CB LEU A 161 6.573 -2.623 -5.342 1.00 0.00 C ATOM 2033 CG LEU A 161 5.311 -2.520 -6.201 1.00 0.00 C ATOM 2034 CD1 LEU A 161 5.600 -2.924 -7.626 1.00 0.00 C ATOM 2035 CD2 LEU A 161 4.191 -3.384 -5.629 1.00 0.00 C ATOM 0 H LEU A 161 7.645 -0.529 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 161 5.386 -1.931 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 161 7.378 -2.086 -5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 161 6.872 -3.670 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 161 4.985 -1.480 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 161 4.689 -2.843 -8.219 1.00 0.00 H new ATOM 0 HD12 LEU A 161 6.364 -2.267 -8.043 1.00 0.00 H new ATOM 0 HD13 LEU A 161 5.957 -3.954 -7.647 1.00 0.00 H new ATOM 0 HD21 LEU A 161 3.305 -3.294 -6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 161 4.512 -4.425 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 161 3.955 -3.051 -4.618 1.00 0.00 H new ATOM 2047 N ASP A 162 8.293 -3.215 -2.836 1.00 0.00 N ATOM 2048 CA ASP A 162 8.909 -4.146 -1.901 1.00 0.00 C ATOM 2049 C ASP A 162 8.620 -3.736 -0.462 1.00 0.00 C ATOM 2050 O ASP A 162 8.302 -4.568 0.375 1.00 0.00 O ATOM 2051 CB ASP A 162 10.423 -4.208 -2.142 1.00 0.00 C ATOM 2052 CG ASP A 162 11.124 -5.219 -1.256 1.00 0.00 C ATOM 2053 OD1 ASP A 162 11.054 -6.431 -1.556 1.00 0.00 O ATOM 2054 OD2 ASP A 162 11.770 -4.807 -0.272 1.00 0.00 O ATOM 0 H ASP A 162 8.954 -2.681 -3.401 1.00 0.00 H new ATOM 0 HA ASP A 162 8.483 -5.135 -2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 162 10.609 -4.458 -3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 162 10.853 -3.222 -1.969 1.00 0.00 H new ATOM 2059 N ASN A 163 8.703 -2.443 -0.202 1.00 0.00 N ATOM 2060 CA ASN A 163 8.466 -1.891 1.130 1.00 0.00 C ATOM 2061 C ASN A 163 7.012 -2.083 1.549 1.00 0.00 C ATOM 2062 O ASN A 163 6.738 -2.389 2.703 1.00 0.00 O ATOM 2063 CB ASN A 163 8.855 -0.399 1.172 1.00 0.00 C ATOM 2064 CG ASN A 163 8.625 0.264 2.527 1.00 0.00 C ATOM 2065 OD1 ASN A 163 8.303 1.448 2.604 1.00 0.00 O ATOM 2066 ND2 ASN A 163 8.821 -0.471 3.596 1.00 0.00 N ATOM 0 H ASN A 163 8.936 -1.742 -0.905 1.00 0.00 H new ATOM 0 HA ASN A 163 9.093 -2.431 1.840 1.00 0.00 H new ATOM 0 HB2 ASN A 163 9.907 -0.301 0.905 1.00 0.00 H new ATOM 0 HB3 ASN A 163 8.282 0.137 0.415 1.00 0.00 H new ATOM 0 HD21 ASN A 163 8.707 -0.063 4.524 1.00 0.00 H new ATOM 0 HD22 ASN A 163 9.088 -1.451 3.499 1.00 0.00 H new ATOM 2073 N MET A 164 6.082 -1.924 0.612 1.00 0.00 N ATOM 2074 CA MET A 164 4.666 -2.118 0.923 1.00 0.00 C ATOM 2075 C MET A 164 4.382 -3.594 1.142 1.00 0.00 C ATOM 2076 O MET A 164 3.427 -3.963 1.816 1.00 0.00 O ATOM 2077 CB MET A 164 3.753 -1.528 -0.166 1.00 0.00 C ATOM 2078 CG MET A 164 3.610 -2.367 -1.421 1.00 0.00 C ATOM 2079 SD MET A 164 2.771 -1.477 -2.750 1.00 0.00 S ATOM 2080 CE MET A 164 1.370 -0.783 -1.867 1.00 0.00 C ATOM 0 H MET A 164 6.277 -1.665 -0.355 1.00 0.00 H new ATOM 0 HA MET A 164 4.443 -1.578 1.843 1.00 0.00 H new ATOM 0 HB2 MET A 164 2.762 -1.371 0.260 1.00 0.00 H new ATOM 0 HB3 MET A 164 4.138 -0.548 -0.447 1.00 0.00 H new ATOM 0 HG2 MET A 164 4.598 -2.678 -1.762 1.00 0.00 H new ATOM 0 HG3 MET A 164 3.054 -3.275 -1.187 1.00 0.00 H new ATOM 0 HE1 MET A 164 0.542 -0.633 -2.559 1.00 0.00 H new ATOM 0 HE2 MET A 164 1.063 -1.468 -1.076 1.00 0.00 H new ATOM 0 HE3 MET A 164 1.654 0.174 -1.429 1.00 0.00 H new ATOM 2090 N LYS A 165 5.232 -4.435 0.573 1.00 0.00 N ATOM 2091 CA LYS A 165 5.144 -5.862 0.764 1.00 0.00 C ATOM 2092 C LYS A 165 5.696 -6.193 2.145 1.00 0.00 C ATOM 2093 O LYS A 165 5.125 -7.001 2.888 1.00 0.00 O ATOM 2094 CB LYS A 165 5.946 -6.573 -0.323 1.00 0.00 C ATOM 2095 CG LYS A 165 5.944 -8.084 -0.235 1.00 0.00 C ATOM 2096 CD LYS A 165 6.769 -8.672 -1.360 1.00 0.00 C ATOM 2097 CE LYS A 165 6.814 -10.184 -1.298 1.00 0.00 C ATOM 2098 NZ LYS A 165 7.583 -10.749 -2.432 1.00 0.00 N ATOM 0 H LYS A 165 5.999 -4.141 -0.032 1.00 0.00 H new ATOM 0 HA LYS A 165 4.109 -6.196 0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 165 5.550 -6.280 -1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 165 6.977 -6.223 -0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 165 6.348 -8.401 0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 165 4.922 -8.458 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 165 6.351 -8.360 -2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 165 7.784 -8.277 -1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 165 7.267 -10.498 -0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 165 5.799 -10.581 -1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 7.595 -11.786 -2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 7.136 -10.469 -3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 8.558 -10.389 -2.404 1.00 0.00 H new ATOM 2112 N LYS A 166 6.811 -5.540 2.486 1.00 0.00 N ATOM 2113 CA LYS A 166 7.393 -5.669 3.810 1.00 0.00 C ATOM 2114 C LYS A 166 6.360 -5.257 4.834 1.00 0.00 C ATOM 2115 O LYS A 166 6.123 -5.963 5.805 1.00 0.00 O ATOM 2116 CB LYS A 166 8.629 -4.762 3.964 1.00 0.00 C ATOM 2117 CG LYS A 166 9.759 -5.031 2.984 1.00 0.00 C ATOM 2118 CD LYS A 166 10.351 -6.412 3.169 1.00 0.00 C ATOM 2119 CE LYS A 166 11.550 -6.610 2.261 1.00 0.00 C ATOM 2120 NZ LYS A 166 12.103 -7.976 2.364 1.00 0.00 N ATOM 0 H LYS A 166 7.322 -4.919 1.859 1.00 0.00 H new ATOM 0 HA LYS A 166 7.700 -6.704 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 166 8.314 -3.724 3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 166 9.015 -4.871 4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 166 9.387 -4.929 1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 166 10.539 -4.281 3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 166 10.650 -6.548 4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 166 9.596 -7.168 2.953 1.00 0.00 H new ATOM 0 HE2 LYS A 166 11.260 -6.413 1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 166 12.323 -5.886 2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 12.920 -8.069 1.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 12.404 -8.156 3.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 11.374 -8.667 2.094 1.00 0.00 H new ATOM 2134 N ALA A 167 5.718 -4.114 4.565 1.00 0.00 N ATOM 2135 CA ALA A 167 4.699 -3.547 5.437 1.00 0.00 C ATOM 2136 C ALA A 167 3.469 -4.437 5.515 1.00 0.00 C ATOM 2137 O ALA A 167 2.716 -4.375 6.469 1.00 0.00 O ATOM 2138 CB ALA A 167 4.317 -2.157 4.958 1.00 0.00 C ATOM 0 H ALA A 167 5.897 -3.558 3.729 1.00 0.00 H new ATOM 0 HA ALA A 167 5.119 -3.477 6.441 1.00 0.00 H new ATOM 0 HB1 ALA A 167 3.554 -1.742 5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 167 5.197 -1.513 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 167 3.926 -2.217 3.942 1.00 0.00 H new ATOM 2144 N LEU A 168 3.278 -5.274 4.512 1.00 0.00 N ATOM 2145 CA LEU A 168 2.150 -6.191 4.498 1.00 0.00 C ATOM 2146 C LEU A 168 2.390 -7.299 5.530 1.00 0.00 C ATOM 2147 O LEU A 168 1.504 -8.097 5.852 1.00 0.00 O ATOM 2148 CB LEU A 168 1.970 -6.781 3.095 1.00 0.00 C ATOM 2149 CG LEU A 168 0.612 -7.399 2.804 1.00 0.00 C ATOM 2150 CD1 LEU A 168 -0.460 -6.330 2.846 1.00 0.00 C ATOM 2151 CD2 LEU A 168 0.625 -8.094 1.451 1.00 0.00 C ATOM 0 H LEU A 168 3.888 -5.339 3.697 1.00 0.00 H new ATOM 0 HA LEU A 168 1.237 -5.656 4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 168 2.153 -5.993 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 168 2.735 -7.542 2.941 1.00 0.00 H new ATOM 0 HG LEU A 168 0.391 -8.145 3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 168 -1.431 -6.780 2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 168 -0.478 -5.872 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 168 -0.244 -5.568 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 168 -0.354 -8.531 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 168 0.859 -7.369 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 168 1.380 -8.881 1.453 1.00 0.00 H new ATOM 2163 N LYS A 169 3.608 -7.321 6.028 1.00 0.00 N ATOM 2164 CA LYS A 169 4.019 -8.249 7.060 1.00 0.00 C ATOM 2165 C LYS A 169 4.265 -7.490 8.374 1.00 0.00 C ATOM 2166 O LYS A 169 3.544 -7.664 9.357 1.00 0.00 O ATOM 2167 CB LYS A 169 5.289 -8.991 6.641 1.00 0.00 C ATOM 2168 CG LYS A 169 5.187 -9.702 5.300 1.00 0.00 C ATOM 2169 CD LYS A 169 6.488 -10.410 4.950 1.00 0.00 C ATOM 2170 CE LYS A 169 6.766 -11.566 5.898 1.00 0.00 C ATOM 2171 NZ LYS A 169 8.098 -12.173 5.662 1.00 0.00 N ATOM 0 H LYS A 169 4.348 -6.688 5.725 1.00 0.00 H new ATOM 0 HA LYS A 169 3.224 -8.980 7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 169 6.114 -8.280 6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 169 5.538 -9.723 7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 169 4.373 -10.426 5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 169 4.942 -8.980 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 169 6.437 -10.782 3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 169 7.313 -9.699 4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 169 6.706 -11.212 6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 169 5.995 -12.327 5.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 8.246 -12.957 6.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 8.147 -12.534 4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 8.837 -11.455 5.803 1.00 0.00 H new