USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 693 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 55 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -4.23! C(o=-4.2!,f=-15!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 89:sc= 0.499 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -56:sc= 1.14 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0276 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0268 USER MOD Single : A 62 SER OG : rot -170:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -131:sc= 0.149 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 135:sc= -0.413 (180deg=-1.48!) USER MOD Single : A 68 CYS SG : rot 31:sc= 0.144 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.073 USER MOD Single : A 75 TYR OH : rot -64:sc= 0.605 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 143:sc= -0.0595 (180deg=-0.905) USER MOD Single : A 79 TYR OH : rot -149:sc= 0.544 USER MOD Single : A 80 THR OG1 : rot 160:sc= -0.0239 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.456 K(o=-0.46,f=0.14) USER MOD Single : A 87 TYR OH : rot 33:sc= 0.358 USER MOD Single : A 90 SER OG : rot -61:sc= 0.313 USER MOD Single : A 93 TYR OH : rot -123:sc= 1.03 USER MOD Single : A 97 ASN : amide:sc= -0.215 X(o=-0.21,f=-0.3) USER MOD Single : A 98 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.12) USER MOD Single : A 102 SER OG : rot -140:sc= -0.951 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.0321 X(o=-0.032,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 241 N ASN A 20 2.738 18.650 0.548 1.00 0.00 N ATOM 242 CA ASN A 20 1.708 18.055 1.392 1.00 0.00 C ATOM 243 C ASN A 20 1.345 16.656 0.902 1.00 0.00 C ATOM 244 O ASN A 20 0.959 16.455 -0.250 1.00 0.00 O ATOM 245 CB ASN A 20 0.461 18.940 1.412 1.00 0.00 C ATOM 246 CG ASN A 20 -0.726 18.253 2.060 1.00 0.00 C ATOM 247 OD1 ASN A 20 -0.562 17.350 2.880 1.00 0.00 O ATOM 248 ND2 ASN A 20 -1.929 18.679 1.694 1.00 0.00 N ATOM 0 HA ASN A 20 2.104 17.975 2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.682 19.862 1.950 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.202 19.221 0.391 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.765 18.254 2.096 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.018 19.431 1.010 1.00 0.00 H new ATOM 255 N PRO A 21 1.470 15.665 1.797 1.00 0.00 N ATOM 256 CA PRO A 21 1.159 14.268 1.480 1.00 0.00 C ATOM 257 C PRO A 21 -0.336 14.037 1.286 1.00 0.00 C ATOM 258 O PRO A 21 -0.744 13.159 0.526 1.00 0.00 O ATOM 259 CB PRO A 21 1.663 13.504 2.707 1.00 0.00 C ATOM 260 CG PRO A 21 1.621 14.499 3.815 1.00 0.00 C ATOM 261 CD PRO A 21 1.924 15.831 3.188 1.00 0.00 C ATOM 0 HA PRO A 21 1.620 13.950 0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.031 12.643 2.924 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.674 13.127 2.551 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.642 14.507 4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.352 14.255 4.586 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.394 16.641 3.690 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.987 16.066 3.238 1.00 0.00 H new ATOM 269 N ALA A 22 -1.148 14.830 1.978 1.00 0.00 N ATOM 270 CA ALA A 22 -2.597 14.712 1.879 1.00 0.00 C ATOM 271 C ALA A 22 -3.065 14.883 0.438 1.00 0.00 C ATOM 272 O ALA A 22 -4.037 14.259 0.012 1.00 0.00 O ATOM 273 CB ALA A 22 -3.272 15.736 2.780 1.00 0.00 C ATOM 0 H ALA A 22 -0.827 15.561 2.613 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.879 13.712 2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.354 15.637 2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.971 15.566 3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.975 16.740 2.476 1.00 0.00 H new ATOM 279 N LEU A 23 -2.368 15.733 -0.309 1.00 0.00 N ATOM 280 CA LEU A 23 -2.712 15.986 -1.704 1.00 0.00 C ATOM 281 C LEU A 23 -2.573 14.717 -2.538 1.00 0.00 C ATOM 282 O LEU A 23 -3.306 14.515 -3.507 1.00 0.00 O ATOM 283 CB LEU A 23 -1.820 17.088 -2.277 1.00 0.00 C ATOM 284 CG LEU A 23 -2.124 18.511 -1.807 1.00 0.00 C ATOM 285 CD1 LEU A 23 -0.978 19.446 -2.161 1.00 0.00 C ATOM 286 CD2 LEU A 23 -3.428 19.007 -2.415 1.00 0.00 C ATOM 0 H LEU A 23 -1.561 16.258 0.028 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.752 16.311 -1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.785 16.857 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.897 17.062 -3.364 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.234 18.499 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.212 20.454 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.064 19.101 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.835 19.454 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.628 20.021 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.347 19.003 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.244 18.352 -2.110 1.00 0.00 H new ATOM 298 N VAL A 24 -1.630 13.863 -2.155 1.00 0.00 N ATOM 299 CA VAL A 24 -1.397 12.612 -2.865 1.00 0.00 C ATOM 300 C VAL A 24 -2.494 11.597 -2.565 1.00 0.00 C ATOM 301 O VAL A 24 -2.823 11.348 -1.405 1.00 0.00 O ATOM 302 CB VAL A 24 -0.032 12.001 -2.494 1.00 0.00 C ATOM 303 CG1 VAL A 24 0.101 10.600 -3.072 1.00 0.00 C ATOM 304 CG2 VAL A 24 1.100 12.896 -2.976 1.00 0.00 C ATOM 0 H VAL A 24 -1.014 14.015 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.404 12.847 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 24 0.031 11.927 -1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.071 10.185 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.690 9.965 -2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.017 10.645 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.057 12.450 -2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.043 13.004 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.012 13.877 -2.509 1.00 0.00 H new ATOM 314 N SER A 25 -3.056 11.013 -3.618 1.00 0.00 N ATOM 315 CA SER A 25 -4.120 10.026 -3.468 1.00 0.00 C ATOM 316 C SER A 25 -3.727 8.702 -4.116 1.00 0.00 C ATOM 317 O SER A 25 -2.874 8.660 -5.002 1.00 0.00 O ATOM 318 CB SER A 25 -5.418 10.546 -4.089 1.00 0.00 C ATOM 319 OG SER A 25 -6.146 11.334 -3.163 1.00 0.00 O ATOM 0 H SER A 25 -2.793 11.206 -4.584 1.00 0.00 H new ATOM 0 HA SER A 25 -4.278 9.857 -2.403 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.189 11.139 -4.975 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.030 9.706 -4.417 1.00 0.00 H new ATOM 0 HG SER A 25 -6.970 11.656 -3.584 1.00 0.00 H new ATOM 325 N ALA A 26 -4.357 7.621 -3.666 1.00 0.00 N ATOM 326 CA ALA A 26 -4.076 6.295 -4.202 1.00 0.00 C ATOM 327 C ALA A 26 -5.360 5.491 -4.378 1.00 0.00 C ATOM 328 O ALA A 26 -6.173 5.392 -3.459 1.00 0.00 O ATOM 329 CB ALA A 26 -3.106 5.553 -3.295 1.00 0.00 C ATOM 0 H ALA A 26 -5.065 7.638 -2.932 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.617 6.417 -5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.906 4.564 -3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.173 6.113 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.543 5.450 -2.302 1.00 0.00 H new ATOM 335 N TYR A 27 -5.536 4.919 -5.564 1.00 0.00 N ATOM 336 CA TYR A 27 -6.723 4.126 -5.861 1.00 0.00 C ATOM 337 C TYR A 27 -6.416 3.055 -6.903 1.00 0.00 C ATOM 338 O TYR A 27 -5.437 3.154 -7.642 1.00 0.00 O ATOM 339 CB TYR A 27 -7.854 5.028 -6.359 1.00 0.00 C ATOM 340 CG TYR A 27 -7.499 5.812 -7.602 1.00 0.00 C ATOM 341 CD1 TYR A 27 -6.920 7.072 -7.511 1.00 0.00 C ATOM 342 CD2 TYR A 27 -7.745 5.295 -8.868 1.00 0.00 C ATOM 343 CE1 TYR A 27 -6.595 7.793 -8.644 1.00 0.00 C ATOM 344 CE2 TYR A 27 -7.423 6.008 -10.006 1.00 0.00 C ATOM 345 CZ TYR A 27 -6.848 7.256 -9.889 1.00 0.00 C ATOM 346 OH TYR A 27 -6.526 7.970 -11.020 1.00 0.00 O ATOM 0 H TYR A 27 -4.872 4.990 -6.335 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.038 3.633 -4.941 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.732 4.416 -6.564 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.128 5.724 -5.566 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.721 7.495 -6.538 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.196 4.318 -8.964 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.146 8.771 -8.555 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.620 5.591 -10.982 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.768 7.450 -11.815 1.00 0.00 H new ATOM 356 N GLY A 28 -7.262 2.030 -6.956 1.00 0.00 N ATOM 357 CA GLY A 28 -7.065 0.954 -7.911 1.00 0.00 C ATOM 358 C GLY A 28 -7.867 -0.284 -7.562 1.00 0.00 C ATOM 359 O GLY A 28 -8.956 -0.189 -6.995 1.00 0.00 O ATOM 0 H GLY A 28 -8.080 1.926 -6.355 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.348 1.298 -8.906 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.006 0.698 -7.952 1.00 0.00 H new ATOM 363 N THR A 29 -7.330 -1.451 -7.904 1.00 0.00 N ATOM 364 CA THR A 29 -8.004 -2.713 -7.627 1.00 0.00 C ATOM 365 C THR A 29 -7.243 -3.525 -6.585 1.00 0.00 C ATOM 366 O THR A 29 -7.805 -4.411 -5.943 1.00 0.00 O ATOM 367 CB THR A 29 -8.162 -3.558 -8.905 1.00 0.00 C ATOM 368 OG1 THR A 29 -8.631 -2.737 -9.981 1.00 0.00 O ATOM 369 CG2 THR A 29 -9.132 -4.707 -8.678 1.00 0.00 C ATOM 0 H THR A 29 -6.430 -1.548 -8.374 1.00 0.00 H new ATOM 0 HA THR A 29 -8.992 -2.465 -7.240 1.00 0.00 H new ATOM 0 HB THR A 29 -7.187 -3.972 -9.162 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.727 -3.282 -10.790 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.227 -5.289 -9.595 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.758 -5.347 -7.879 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.108 -4.310 -8.398 1.00 0.00 H new ATOM 377 N GLY A 30 -5.960 -3.217 -6.422 1.00 0.00 N ATOM 378 CA GLY A 30 -5.143 -3.928 -5.456 1.00 0.00 C ATOM 379 C GLY A 30 -5.537 -3.619 -4.025 1.00 0.00 C ATOM 380 O GLY A 30 -5.421 -4.472 -3.144 1.00 0.00 O ATOM 0 H GLY A 30 -5.472 -2.488 -6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.230 -5.000 -5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.096 -3.665 -5.606 1.00 0.00 H new ATOM 384 N LEU A 31 -6.004 -2.398 -3.792 1.00 0.00 N ATOM 385 CA LEU A 31 -6.415 -1.978 -2.457 1.00 0.00 C ATOM 386 C LEU A 31 -7.765 -2.585 -2.087 1.00 0.00 C ATOM 387 O LEU A 31 -8.032 -2.859 -0.918 1.00 0.00 O ATOM 388 CB LEU A 31 -6.492 -0.452 -2.382 1.00 0.00 C ATOM 389 CG LEU A 31 -5.299 0.310 -2.960 1.00 0.00 C ATOM 390 CD1 LEU A 31 -5.669 1.760 -3.227 1.00 0.00 C ATOM 391 CD2 LEU A 31 -4.106 0.227 -2.019 1.00 0.00 C ATOM 0 H LEU A 31 -6.108 -1.681 -4.510 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.670 -2.334 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.392 -0.128 -2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.609 -0.165 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.022 -0.153 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.807 2.286 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.492 1.800 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.973 2.236 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.266 0.775 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.371 0.663 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.825 -0.817 -1.879 1.00 0.00 H new ATOM 403 N GLU A 32 -8.609 -2.794 -3.092 1.00 0.00 N ATOM 404 CA GLU A 32 -9.930 -3.371 -2.871 1.00 0.00 C ATOM 405 C GLU A 32 -9.839 -4.623 -2.004 1.00 0.00 C ATOM 406 O GLU A 32 -10.750 -4.926 -1.234 1.00 0.00 O ATOM 407 CB GLU A 32 -10.594 -3.710 -4.207 1.00 0.00 C ATOM 408 CG GLU A 32 -10.824 -2.499 -5.097 1.00 0.00 C ATOM 409 CD GLU A 32 -12.081 -1.736 -4.729 1.00 0.00 C ATOM 410 OE1 GLU A 32 -13.148 -2.375 -4.606 1.00 0.00 O ATOM 411 OE2 GLU A 32 -12.000 -0.501 -4.565 1.00 0.00 O ATOM 0 H GLU A 32 -8.402 -2.573 -4.066 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.538 -2.632 -2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.972 -4.429 -4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.550 -4.196 -4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.965 -1.832 -5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.891 -2.823 -6.135 1.00 0.00 H new ATOM 418 N GLY A 33 -8.732 -5.348 -2.135 1.00 0.00 N ATOM 419 CA GLY A 33 -8.542 -6.559 -1.359 1.00 0.00 C ATOM 420 C GLY A 33 -7.358 -7.375 -1.839 1.00 0.00 C ATOM 421 O GLY A 33 -6.648 -6.971 -2.759 1.00 0.00 O ATOM 0 H GLY A 33 -7.963 -5.118 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.398 -6.296 -0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.445 -7.167 -1.414 1.00 0.00 H new ATOM 425 N GLY A 34 -7.144 -8.529 -1.213 1.00 0.00 N ATOM 426 CA GLY A 34 -6.036 -9.385 -1.595 1.00 0.00 C ATOM 427 C GLY A 34 -6.487 -10.604 -2.374 1.00 0.00 C ATOM 428 O GLY A 34 -7.039 -11.546 -1.805 1.00 0.00 O ATOM 0 H GLY A 34 -7.718 -8.886 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.330 -8.813 -2.198 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.504 -9.706 -0.700 1.00 0.00 H new ATOM 432 N THR A 35 -6.253 -10.588 -3.683 1.00 0.00 N ATOM 433 CA THR A 35 -6.642 -11.699 -4.542 1.00 0.00 C ATOM 434 C THR A 35 -5.451 -12.602 -4.846 1.00 0.00 C ATOM 435 O THR A 35 -4.575 -12.248 -5.635 1.00 0.00 O ATOM 436 CB THR A 35 -7.243 -11.199 -5.870 1.00 0.00 C ATOM 437 OG1 THR A 35 -7.933 -9.962 -5.659 1.00 0.00 O ATOM 438 CG2 THR A 35 -8.202 -12.227 -6.451 1.00 0.00 C ATOM 0 H THR A 35 -5.796 -9.818 -4.171 1.00 0.00 H new ATOM 0 HA THR A 35 -7.398 -12.268 -4.000 1.00 0.00 H new ATOM 0 HB THR A 35 -6.428 -11.045 -6.577 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.311 -9.649 -6.507 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.614 -11.852 -7.388 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.668 -13.159 -6.637 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.013 -12.408 -5.745 1.00 0.00 H new ATOM 446 N THR A 36 -5.426 -13.772 -4.214 1.00 0.00 N ATOM 447 CA THR A 36 -4.342 -14.726 -4.416 1.00 0.00 C ATOM 448 C THR A 36 -4.472 -15.427 -5.763 1.00 0.00 C ATOM 449 O THR A 36 -5.349 -16.268 -5.955 1.00 0.00 O ATOM 450 CB THR A 36 -4.312 -15.786 -3.299 1.00 0.00 C ATOM 451 OG1 THR A 36 -4.822 -15.230 -2.082 1.00 0.00 O ATOM 452 CG2 THR A 36 -2.896 -16.296 -3.075 1.00 0.00 C ATOM 0 H THR A 36 -6.144 -14.081 -3.558 1.00 0.00 H new ATOM 0 HA THR A 36 -3.412 -14.158 -4.393 1.00 0.00 H new ATOM 0 HB THR A 36 -4.939 -16.623 -3.606 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.794 -15.353 -2.048 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.900 -17.044 -2.282 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.521 -16.745 -3.995 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.251 -15.465 -2.788 1.00 0.00 H new ATOM 460 N GLY A 37 -3.590 -15.076 -6.695 1.00 0.00 N ATOM 461 CA GLY A 37 -3.623 -15.683 -8.013 1.00 0.00 C ATOM 462 C GLY A 37 -3.784 -14.658 -9.119 1.00 0.00 C ATOM 463 O GLY A 37 -3.397 -14.903 -10.262 1.00 0.00 O ATOM 0 H GLY A 37 -2.854 -14.383 -6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.703 -16.245 -8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.445 -16.397 -8.061 1.00 0.00 H new ATOM 467 N ILE A 38 -4.359 -13.509 -8.779 1.00 0.00 N ATOM 468 CA ILE A 38 -4.571 -12.445 -9.753 1.00 0.00 C ATOM 469 C ILE A 38 -3.647 -11.262 -9.484 1.00 0.00 C ATOM 470 O ILE A 38 -3.262 -11.010 -8.343 1.00 0.00 O ATOM 471 CB ILE A 38 -6.031 -11.955 -9.741 1.00 0.00 C ATOM 472 CG1 ILE A 38 -6.992 -13.145 -9.714 1.00 0.00 C ATOM 473 CG2 ILE A 38 -6.304 -11.075 -10.952 1.00 0.00 C ATOM 474 CD1 ILE A 38 -8.450 -12.747 -9.769 1.00 0.00 C ATOM 0 H ILE A 38 -4.686 -13.291 -7.838 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.345 -12.864 -10.734 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.192 -11.362 -8.841 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.771 -13.799 -10.557 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.816 -13.723 -8.807 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.340 -10.736 -10.930 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.639 -10.211 -10.931 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.129 -11.646 -11.864 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -9.072 -13.642 -9.746 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.688 -12.117 -8.912 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.642 -12.195 -10.689 1.00 0.00 H new ATOM 486 N GLN A 39 -3.298 -10.539 -10.543 1.00 0.00 N ATOM 487 CA GLN A 39 -2.420 -9.382 -10.420 1.00 0.00 C ATOM 488 C GLN A 39 -3.225 -8.087 -10.405 1.00 0.00 C ATOM 489 O GLN A 39 -4.026 -7.831 -11.304 1.00 0.00 O ATOM 490 CB GLN A 39 -1.412 -9.356 -11.571 1.00 0.00 C ATOM 491 CG GLN A 39 -0.662 -8.038 -11.694 1.00 0.00 C ATOM 492 CD GLN A 39 0.409 -8.074 -12.766 1.00 0.00 C ATOM 493 OE1 GLN A 39 1.595 -8.217 -12.470 1.00 0.00 O ATOM 494 NE2 GLN A 39 -0.005 -7.944 -14.021 1.00 0.00 N ATOM 0 H GLN A 39 -3.609 -10.734 -11.495 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.882 -9.465 -9.476 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.692 -10.162 -11.431 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.936 -9.555 -12.506 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.370 -7.241 -11.920 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.203 -7.794 -10.736 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.998 -7.828 -14.221 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.670 -7.961 -14.785 1.00 0.00 H new ATOM 503 N SER A 40 -3.008 -7.272 -9.377 1.00 0.00 N ATOM 504 CA SER A 40 -3.717 -6.005 -9.242 1.00 0.00 C ATOM 505 C SER A 40 -2.777 -4.828 -9.485 1.00 0.00 C ATOM 506 O SER A 40 -1.556 -4.978 -9.447 1.00 0.00 O ATOM 507 CB SER A 40 -4.344 -5.893 -7.852 1.00 0.00 C ATOM 508 OG SER A 40 -5.027 -7.085 -7.502 1.00 0.00 O ATOM 0 H SER A 40 -2.347 -7.467 -8.625 1.00 0.00 H new ATOM 0 HA SER A 40 -4.507 -5.977 -9.992 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.568 -5.685 -7.115 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.038 -5.053 -7.829 1.00 0.00 H new ATOM 0 HG SER A 40 -5.417 -6.988 -6.608 1.00 0.00 H new ATOM 514 N GLU A 41 -3.356 -3.658 -9.734 1.00 0.00 N ATOM 515 CA GLU A 41 -2.570 -2.455 -9.983 1.00 0.00 C ATOM 516 C GLU A 41 -3.286 -1.217 -9.451 1.00 0.00 C ATOM 517 O GLU A 41 -4.497 -1.069 -9.615 1.00 0.00 O ATOM 518 CB GLU A 41 -2.300 -2.297 -11.481 1.00 0.00 C ATOM 519 CG GLU A 41 -3.527 -2.525 -12.348 1.00 0.00 C ATOM 520 CD GLU A 41 -3.867 -3.994 -12.503 1.00 0.00 C ATOM 521 OE1 GLU A 41 -3.227 -4.666 -13.339 1.00 0.00 O ATOM 522 OE2 GLU A 41 -4.774 -4.472 -11.790 1.00 0.00 O ATOM 0 H GLU A 41 -4.366 -3.517 -9.769 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.620 -2.557 -9.458 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.914 -1.295 -11.668 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.521 -2.999 -11.777 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.378 -2.003 -11.911 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.358 -2.089 -13.333 1.00 0.00 H new ATOM 529 N PHE A 42 -2.529 -0.332 -8.812 1.00 0.00 N ATOM 530 CA PHE A 42 -3.090 0.893 -8.254 1.00 0.00 C ATOM 531 C PHE A 42 -2.209 2.095 -8.584 1.00 0.00 C ATOM 532 O PHE A 42 -1.029 2.128 -8.235 1.00 0.00 O ATOM 533 CB PHE A 42 -3.247 0.762 -6.738 1.00 0.00 C ATOM 534 CG PHE A 42 -1.956 0.915 -5.986 1.00 0.00 C ATOM 535 CD1 PHE A 42 -1.488 2.171 -5.634 1.00 0.00 C ATOM 536 CD2 PHE A 42 -1.209 -0.197 -5.632 1.00 0.00 C ATOM 537 CE1 PHE A 42 -0.300 2.315 -4.942 1.00 0.00 C ATOM 538 CE2 PHE A 42 -0.021 -0.059 -4.940 1.00 0.00 C ATOM 539 CZ PHE A 42 0.435 1.199 -4.595 1.00 0.00 C ATOM 0 H PHE A 42 -1.525 -0.440 -8.667 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.071 1.051 -8.702 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.954 1.514 -6.388 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.679 -0.212 -6.508 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.058 3.048 -5.904 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.559 -1.183 -5.900 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.053 3.300 -4.673 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.551 -0.934 -4.669 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.364 1.309 -4.055 1.00 0.00 H new ATOM 549 N PHE A 43 -2.792 3.080 -9.260 1.00 0.00 N ATOM 550 CA PHE A 43 -2.061 4.283 -9.639 1.00 0.00 C ATOM 551 C PHE A 43 -2.093 5.315 -8.516 1.00 0.00 C ATOM 552 O PHE A 43 -3.126 5.521 -7.877 1.00 0.00 O ATOM 553 CB PHE A 43 -2.652 4.883 -10.916 1.00 0.00 C ATOM 554 CG PHE A 43 -2.703 3.917 -12.065 1.00 0.00 C ATOM 555 CD1 PHE A 43 -1.628 3.791 -12.929 1.00 0.00 C ATOM 556 CD2 PHE A 43 -3.826 3.135 -12.281 1.00 0.00 C ATOM 557 CE1 PHE A 43 -1.671 2.903 -13.987 1.00 0.00 C ATOM 558 CE2 PHE A 43 -3.875 2.245 -13.336 1.00 0.00 C ATOM 559 CZ PHE A 43 -2.797 2.129 -14.192 1.00 0.00 C ATOM 0 H PHE A 43 -3.768 3.068 -9.556 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.023 4.005 -9.823 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.660 5.240 -10.707 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.061 5.751 -11.208 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.745 4.394 -12.774 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.673 3.222 -11.617 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.825 2.814 -14.653 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.756 1.640 -13.492 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.834 1.435 -15.019 1.00 0.00 H new ATOM 569 N ILE A 44 -0.956 5.961 -8.281 1.00 0.00 N ATOM 570 CA ILE A 44 -0.854 6.972 -7.236 1.00 0.00 C ATOM 571 C ILE A 44 -0.906 8.378 -7.824 1.00 0.00 C ATOM 572 O ILE A 44 -0.015 8.783 -8.569 1.00 0.00 O ATOM 573 CB ILE A 44 0.447 6.814 -6.425 1.00 0.00 C ATOM 574 CG1 ILE A 44 0.486 5.445 -5.744 1.00 0.00 C ATOM 575 CG2 ILE A 44 0.567 7.928 -5.396 1.00 0.00 C ATOM 576 CD1 ILE A 44 1.861 5.058 -5.245 1.00 0.00 C ATOM 0 H ILE A 44 -0.092 5.802 -8.800 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.706 6.827 -6.572 1.00 0.00 H new ATOM 0 HB ILE A 44 1.294 6.883 -7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.210 5.446 -4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.137 4.688 -6.447 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.491 7.803 -4.831 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.580 8.892 -5.904 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.283 7.888 -4.715 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.814 4.076 -4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.556 5.025 -6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.205 5.794 -4.518 1.00 0.00 H new ATOM 588 N ASN A 45 -1.955 9.118 -7.482 1.00 0.00 N ATOM 589 CA ASN A 45 -2.124 10.480 -7.975 1.00 0.00 C ATOM 590 C ASN A 45 -1.258 11.456 -7.184 1.00 0.00 C ATOM 591 O ASN A 45 -1.482 11.678 -5.994 1.00 0.00 O ATOM 592 CB ASN A 45 -3.593 10.898 -7.889 1.00 0.00 C ATOM 593 CG ASN A 45 -3.900 12.110 -8.747 1.00 0.00 C ATOM 594 OD1 ASN A 45 -3.874 13.245 -8.270 1.00 0.00 O ATOM 595 ND2 ASN A 45 -4.194 11.875 -10.020 1.00 0.00 N ATOM 0 H ASN A 45 -2.701 8.797 -6.865 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.808 10.504 -9.018 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.224 10.066 -8.202 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.845 11.117 -6.852 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.410 12.651 -10.645 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.204 10.918 -10.373 1.00 0.00 H new ATOM 602 N THR A 46 -0.268 12.038 -7.854 1.00 0.00 N ATOM 603 CA THR A 46 0.632 12.989 -7.215 1.00 0.00 C ATOM 604 C THR A 46 0.840 14.221 -8.088 1.00 0.00 C ATOM 605 O THR A 46 1.891 14.861 -8.038 1.00 0.00 O ATOM 606 CB THR A 46 2.001 12.352 -6.912 1.00 0.00 C ATOM 607 OG1 THR A 46 2.885 13.331 -6.354 1.00 0.00 O ATOM 608 CG2 THR A 46 2.616 11.766 -8.174 1.00 0.00 C ATOM 0 H THR A 46 -0.070 11.867 -8.840 1.00 0.00 H new ATOM 0 HA THR A 46 0.163 13.286 -6.277 1.00 0.00 H new ATOM 0 HB THR A 46 1.851 11.547 -6.192 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.960 14.092 -6.968 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.582 11.322 -7.935 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.955 11.000 -8.579 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.752 12.556 -8.913 1.00 0.00 H new ATOM 616 N THR A 47 -0.169 14.551 -8.889 1.00 0.00 N ATOM 617 CA THR A 47 -0.096 15.707 -9.773 1.00 0.00 C ATOM 618 C THR A 47 -0.422 16.994 -9.025 1.00 0.00 C ATOM 619 O THR A 47 -0.256 18.092 -9.557 1.00 0.00 O ATOM 620 CB THR A 47 -1.060 15.562 -10.966 1.00 0.00 C ATOM 621 OG1 THR A 47 -2.327 15.071 -10.516 1.00 0.00 O ATOM 622 CG2 THR A 47 -0.488 14.619 -12.013 1.00 0.00 C ATOM 0 H THR A 47 -1.046 14.033 -8.943 1.00 0.00 H new ATOM 0 HA THR A 47 0.927 15.756 -10.145 1.00 0.00 H new ATOM 0 HB THR A 47 -1.192 16.545 -11.419 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.934 14.983 -11.280 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.186 14.533 -12.845 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.462 15.011 -12.376 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.329 13.636 -11.569 1.00 0.00 H new ATOM 630 N ARG A 48 -0.886 16.852 -7.787 1.00 0.00 N ATOM 631 CA ARG A 48 -1.235 18.004 -6.965 1.00 0.00 C ATOM 632 C ARG A 48 -0.132 18.306 -5.955 1.00 0.00 C ATOM 633 O ARG A 48 0.068 19.456 -5.564 1.00 0.00 O ATOM 634 CB ARG A 48 -2.556 17.755 -6.235 1.00 0.00 C ATOM 635 CG ARG A 48 -3.778 17.870 -7.131 1.00 0.00 C ATOM 636 CD ARG A 48 -4.217 19.317 -7.291 1.00 0.00 C ATOM 637 NE ARG A 48 -5.149 19.726 -6.244 1.00 0.00 N ATOM 638 CZ ARG A 48 -6.447 19.444 -6.264 1.00 0.00 C ATOM 639 NH1 ARG A 48 -6.964 18.756 -7.272 1.00 0.00 N ATOM 640 NH2 ARG A 48 -7.231 19.851 -5.273 1.00 0.00 N ATOM 0 H ARG A 48 -1.029 15.950 -7.332 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.348 18.866 -7.622 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.534 16.760 -5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.648 18.468 -5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.554 17.446 -8.110 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.596 17.285 -6.710 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.341 19.966 -7.270 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.687 19.447 -8.266 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.783 20.257 -5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.365 18.441 -8.035 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.961 18.541 -7.284 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.837 20.381 -4.496 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.228 19.634 -5.289 1.00 0.00 H new ATOM 654 N ALA A 49 0.581 17.265 -5.537 1.00 0.00 N ATOM 655 CA ALA A 49 1.665 17.419 -4.574 1.00 0.00 C ATOM 656 C ALA A 49 2.972 17.782 -5.271 1.00 0.00 C ATOM 657 O ALA A 49 3.664 18.716 -4.867 1.00 0.00 O ATOM 658 CB ALA A 49 1.834 16.144 -3.762 1.00 0.00 C ATOM 0 H ALA A 49 0.428 16.306 -5.850 1.00 0.00 H new ATOM 0 HA ALA A 49 1.405 18.235 -3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.647 16.273 -3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.910 15.929 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.067 15.315 -4.430 1.00 0.00 H new ATOM 664 N GLY A 50 3.304 17.037 -6.321 1.00 0.00 N ATOM 665 CA GLY A 50 4.528 17.296 -7.057 1.00 0.00 C ATOM 666 C GLY A 50 5.331 16.036 -7.308 1.00 0.00 C ATOM 667 O GLY A 50 5.331 15.104 -6.503 1.00 0.00 O ATOM 0 H GLY A 50 2.747 16.259 -6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.283 17.763 -8.011 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.139 18.008 -6.501 1.00 0.00 H new ATOM 671 N PRO A 51 6.035 15.995 -8.449 1.00 0.00 N ATOM 672 CA PRO A 51 6.859 14.844 -8.830 1.00 0.00 C ATOM 673 C PRO A 51 8.094 14.697 -7.948 1.00 0.00 C ATOM 674 O PRO A 51 9.069 15.431 -8.102 1.00 0.00 O ATOM 675 CB PRO A 51 7.266 15.161 -10.271 1.00 0.00 C ATOM 676 CG PRO A 51 7.200 16.646 -10.366 1.00 0.00 C ATOM 677 CD PRO A 51 6.082 17.070 -9.454 1.00 0.00 C ATOM 0 HA PRO A 51 6.319 13.903 -8.722 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.269 14.795 -10.489 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.592 14.688 -10.986 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.144 17.099 -10.063 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.009 16.963 -11.391 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.282 18.039 -8.997 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.138 17.160 -9.991 1.00 0.00 H new ATOM 685 N GLY A 52 8.045 13.744 -7.023 1.00 0.00 N ATOM 686 CA GLY A 52 9.167 13.518 -6.130 1.00 0.00 C ATOM 687 C GLY A 52 9.774 12.140 -6.299 1.00 0.00 C ATOM 688 O GLY A 52 9.604 11.500 -7.338 1.00 0.00 O ATOM 0 H GLY A 52 7.249 13.124 -6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.931 14.273 -6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.837 13.642 -5.099 1.00 0.00 H new ATOM 692 N THR A 53 10.488 11.680 -5.276 1.00 0.00 N ATOM 693 CA THR A 53 11.126 10.370 -5.317 1.00 0.00 C ATOM 694 C THR A 53 10.092 9.252 -5.248 1.00 0.00 C ATOM 695 O THR A 53 9.064 9.384 -4.583 1.00 0.00 O ATOM 696 CB THR A 53 12.130 10.197 -4.161 1.00 0.00 C ATOM 697 OG1 THR A 53 13.057 11.289 -4.151 1.00 0.00 O ATOM 698 CG2 THR A 53 12.886 8.884 -4.293 1.00 0.00 C ATOM 0 H THR A 53 10.639 12.196 -4.409 1.00 0.00 H new ATOM 0 HA THR A 53 11.661 10.309 -6.265 1.00 0.00 H new ATOM 0 HB THR A 53 11.574 10.184 -3.224 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.691 11.173 -3.413 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.589 8.784 -3.466 1.00 0.00 H new ATOM 0 HG22 THR A 53 12.180 8.054 -4.272 1.00 0.00 H new ATOM 0 HG23 THR A 53 13.432 8.872 -5.236 1.00 0.00 H new ATOM 706 N LEU A 54 10.370 8.152 -5.938 1.00 0.00 N ATOM 707 CA LEU A 54 9.463 7.009 -5.955 1.00 0.00 C ATOM 708 C LEU A 54 9.803 6.028 -4.837 1.00 0.00 C ATOM 709 O LEU A 54 10.842 5.368 -4.873 1.00 0.00 O ATOM 710 CB LEU A 54 9.528 6.301 -7.309 1.00 0.00 C ATOM 711 CG LEU A 54 8.246 5.600 -7.762 1.00 0.00 C ATOM 712 CD1 LEU A 54 8.359 5.169 -9.216 1.00 0.00 C ATOM 713 CD2 LEU A 54 7.949 4.403 -6.870 1.00 0.00 C ATOM 0 H LEU A 54 11.216 8.027 -6.493 1.00 0.00 H new ATOM 0 HA LEU A 54 8.450 7.378 -5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.805 7.034 -8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.329 5.562 -7.272 1.00 0.00 H new ATOM 0 HG LEU A 54 7.419 6.305 -7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.438 4.672 -9.521 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.524 6.045 -9.843 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.197 4.480 -9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.034 3.916 -7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.777 3.696 -6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.824 4.739 -5.841 1.00 0.00 H new ATOM 725 N SER A 55 8.920 5.936 -3.848 1.00 0.00 N ATOM 726 CA SER A 55 9.128 5.036 -2.720 1.00 0.00 C ATOM 727 C SER A 55 7.896 4.168 -2.483 1.00 0.00 C ATOM 728 O SER A 55 6.815 4.674 -2.179 1.00 0.00 O ATOM 729 CB SER A 55 9.453 5.835 -1.456 1.00 0.00 C ATOM 730 OG SER A 55 9.589 4.981 -0.334 1.00 0.00 O ATOM 0 H SER A 55 8.054 6.473 -3.805 1.00 0.00 H new ATOM 0 HA SER A 55 9.970 4.385 -2.957 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.376 6.396 -1.604 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.664 6.563 -1.269 1.00 0.00 H new ATOM 0 HG SER A 55 9.798 5.515 0.460 1.00 0.00 H new ATOM 736 N VAL A 56 8.067 2.858 -2.625 1.00 0.00 N ATOM 737 CA VAL A 56 6.970 1.918 -2.427 1.00 0.00 C ATOM 738 C VAL A 56 7.450 0.654 -1.721 1.00 0.00 C ATOM 739 O VAL A 56 8.492 0.094 -2.066 1.00 0.00 O ATOM 740 CB VAL A 56 6.316 1.528 -3.765 1.00 0.00 C ATOM 741 CG1 VAL A 56 7.373 1.107 -4.774 1.00 0.00 C ATOM 742 CG2 VAL A 56 5.295 0.419 -3.556 1.00 0.00 C ATOM 0 H VAL A 56 8.955 2.423 -2.876 1.00 0.00 H new ATOM 0 HA VAL A 56 6.231 2.421 -1.803 1.00 0.00 H new ATOM 0 HB VAL A 56 5.796 2.400 -4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.891 0.835 -5.713 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.062 1.934 -4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.924 0.250 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.843 0.156 -4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.790 -0.457 -3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.520 0.762 -2.870 1.00 0.00 H new ATOM 752 N THR A 57 6.684 0.209 -0.730 1.00 0.00 N ATOM 753 CA THR A 57 7.031 -0.989 0.025 1.00 0.00 C ATOM 754 C THR A 57 5.781 -1.717 0.506 1.00 0.00 C ATOM 755 O THR A 57 4.797 -1.088 0.896 1.00 0.00 O ATOM 756 CB THR A 57 7.913 -0.650 1.241 1.00 0.00 C ATOM 757 OG1 THR A 57 9.035 0.138 0.828 1.00 0.00 O ATOM 758 CG2 THR A 57 8.402 -1.917 1.925 1.00 0.00 C ATOM 0 H THR A 57 5.819 0.660 -0.431 1.00 0.00 H new ATOM 0 HA THR A 57 7.589 -1.638 -0.650 1.00 0.00 H new ATOM 0 HB THR A 57 7.312 -0.082 1.951 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.590 0.351 1.607 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.023 -1.652 2.781 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.546 -2.501 2.264 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.988 -2.508 1.221 1.00 0.00 H new ATOM 766 N ILE A 58 5.826 -3.044 0.475 1.00 0.00 N ATOM 767 CA ILE A 58 4.697 -3.857 0.910 1.00 0.00 C ATOM 768 C ILE A 58 5.138 -4.921 1.910 1.00 0.00 C ATOM 769 O ILE A 58 6.196 -5.531 1.755 1.00 0.00 O ATOM 770 CB ILE A 58 4.006 -4.545 -0.282 1.00 0.00 C ATOM 771 CG1 ILE A 58 3.405 -3.499 -1.224 1.00 0.00 C ATOM 772 CG2 ILE A 58 2.932 -5.504 0.209 1.00 0.00 C ATOM 773 CD1 ILE A 58 2.842 -4.087 -2.499 1.00 0.00 C ATOM 0 H ILE A 58 6.632 -3.580 0.153 1.00 0.00 H new ATOM 0 HA ILE A 58 3.989 -3.182 1.390 1.00 0.00 H new ATOM 0 HB ILE A 58 4.751 -5.118 -0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.614 -2.962 -0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.172 -2.767 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.453 -5.982 -0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.386 -6.265 0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.186 -4.953 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.433 -3.289 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.635 -4.599 -3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.052 -4.797 -2.254 1.00 0.00 H new ATOM 785 N GLU A 59 4.319 -5.138 2.934 1.00 0.00 N ATOM 786 CA GLU A 59 4.625 -6.129 3.959 1.00 0.00 C ATOM 787 C GLU A 59 3.591 -7.251 3.957 1.00 0.00 C ATOM 788 O GLU A 59 2.444 -7.052 3.560 1.00 0.00 O ATOM 789 CB GLU A 59 4.675 -5.470 5.339 1.00 0.00 C ATOM 790 CG GLU A 59 5.396 -6.303 6.385 1.00 0.00 C ATOM 791 CD GLU A 59 6.887 -6.404 6.125 1.00 0.00 C ATOM 792 OE1 GLU A 59 7.550 -5.348 6.060 1.00 0.00 O ATOM 793 OE2 GLU A 59 7.389 -7.539 5.986 1.00 0.00 O ATOM 0 H GLU A 59 3.439 -4.642 3.076 1.00 0.00 H new ATOM 0 HA GLU A 59 5.602 -6.557 3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.170 -4.503 5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.657 -5.278 5.678 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.232 -5.865 7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.966 -7.304 6.406 1.00 0.00 H new ATOM 800 N GLY A 60 4.007 -8.433 4.402 1.00 0.00 N ATOM 801 CA GLY A 60 3.106 -9.570 4.443 1.00 0.00 C ATOM 802 C GLY A 60 3.808 -10.852 4.845 1.00 0.00 C ATOM 803 O GLY A 60 5.027 -10.890 5.018 1.00 0.00 O ATOM 0 H GLY A 60 4.952 -8.623 4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.299 -9.365 5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.648 -9.702 3.463 1.00 0.00 H new ATOM 807 N PRO A 61 3.030 -11.933 5.003 1.00 0.00 N ATOM 808 CA PRO A 61 3.563 -13.242 5.392 1.00 0.00 C ATOM 809 C PRO A 61 4.394 -13.881 4.284 1.00 0.00 C ATOM 810 O PRO A 61 5.247 -14.728 4.546 1.00 0.00 O ATOM 811 CB PRO A 61 2.305 -14.071 5.662 1.00 0.00 C ATOM 812 CG PRO A 61 1.243 -13.427 4.839 1.00 0.00 C ATOM 813 CD PRO A 61 1.570 -11.960 4.815 1.00 0.00 C ATOM 0 HA PRO A 61 4.235 -13.171 6.247 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.449 -15.113 5.377 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.045 -14.063 6.721 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.227 -13.840 3.830 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.257 -13.600 5.270 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.278 -11.499 3.872 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.053 -11.420 5.608 1.00 0.00 H new ATOM 821 N SER A 62 4.138 -13.469 3.046 1.00 0.00 N ATOM 822 CA SER A 62 4.861 -14.005 1.899 1.00 0.00 C ATOM 823 C SER A 62 5.269 -12.887 0.944 1.00 0.00 C ATOM 824 O SER A 62 4.441 -12.347 0.210 1.00 0.00 O ATOM 825 CB SER A 62 4.000 -15.031 1.161 1.00 0.00 C ATOM 826 OG SER A 62 4.134 -16.319 1.738 1.00 0.00 O ATOM 0 H SER A 62 3.436 -12.767 2.812 1.00 0.00 H new ATOM 0 HA SER A 62 5.763 -14.494 2.266 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.955 -14.722 1.191 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.291 -15.067 0.111 1.00 0.00 H new ATOM 0 HG SER A 62 3.704 -16.983 1.160 1.00 0.00 H new ATOM 832 N LYS A 63 6.553 -12.543 0.960 1.00 0.00 N ATOM 833 CA LYS A 63 7.075 -11.491 0.096 1.00 0.00 C ATOM 834 C LYS A 63 6.496 -11.605 -1.311 1.00 0.00 C ATOM 835 O LYS A 63 6.039 -12.672 -1.720 1.00 0.00 O ATOM 836 CB LYS A 63 8.602 -11.561 0.038 1.00 0.00 C ATOM 837 CG LYS A 63 9.274 -11.311 1.377 1.00 0.00 C ATOM 838 CD LYS A 63 9.158 -9.855 1.796 1.00 0.00 C ATOM 839 CE LYS A 63 9.730 -9.628 3.187 1.00 0.00 C ATOM 840 NZ LYS A 63 9.450 -8.253 3.684 1.00 0.00 N ATOM 0 H LYS A 63 7.251 -12.978 1.563 1.00 0.00 H new ATOM 0 HA LYS A 63 6.777 -10.530 0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.899 -12.543 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.964 -10.828 -0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.820 -11.947 2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.326 -11.590 1.315 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.684 -9.226 1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.111 -9.552 1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.306 -10.357 3.877 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.807 -9.795 3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.328 -7.830 4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.082 -7.670 2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.744 -8.297 4.447 1.00 0.00 H new ATOM 854 N VAL A 64 6.520 -10.498 -2.047 1.00 0.00 N ATOM 855 CA VAL A 64 6.000 -10.475 -3.409 1.00 0.00 C ATOM 856 C VAL A 64 6.917 -9.681 -4.333 1.00 0.00 C ATOM 857 O VAL A 64 7.604 -8.756 -3.900 1.00 0.00 O ATOM 858 CB VAL A 64 4.586 -9.866 -3.460 1.00 0.00 C ATOM 859 CG1 VAL A 64 3.549 -10.887 -3.017 1.00 0.00 C ATOM 860 CG2 VAL A 64 4.514 -8.614 -2.600 1.00 0.00 C ATOM 0 H VAL A 64 6.894 -9.606 -1.723 1.00 0.00 H new ATOM 0 HA VAL A 64 5.954 -11.510 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 64 4.367 -9.585 -4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.556 -10.439 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.585 -11.753 -3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.762 -11.202 -1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.508 -8.197 -2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.753 -8.868 -1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.229 -7.878 -2.968 1.00 0.00 H new ATOM 870 N LYS A 65 6.922 -10.048 -5.610 1.00 0.00 N ATOM 871 CA LYS A 65 7.752 -9.370 -6.599 1.00 0.00 C ATOM 872 C LYS A 65 6.974 -8.254 -7.289 1.00 0.00 C ATOM 873 O LYS A 65 6.165 -8.509 -8.180 1.00 0.00 O ATOM 874 CB LYS A 65 8.262 -10.370 -7.639 1.00 0.00 C ATOM 875 CG LYS A 65 7.284 -11.495 -7.932 1.00 0.00 C ATOM 876 CD LYS A 65 7.718 -12.311 -9.137 1.00 0.00 C ATOM 877 CE LYS A 65 7.189 -11.716 -10.433 1.00 0.00 C ATOM 878 NZ LYS A 65 7.244 -12.693 -11.556 1.00 0.00 N ATOM 0 H LYS A 65 6.360 -10.812 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 65 8.603 -8.929 -6.081 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.480 -9.839 -8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.201 -10.798 -7.289 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.204 -12.145 -7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.293 -11.079 -8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.806 -12.357 -9.174 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.359 -13.335 -9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.160 -11.387 -10.288 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.773 -10.832 -10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.875 -12.249 -12.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.229 -12.988 -11.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.667 -13.525 -11.321 1.00 0.00 H new ATOM 892 N MET A 66 7.227 -7.018 -6.872 1.00 0.00 N ATOM 893 CA MET A 66 6.551 -5.863 -7.453 1.00 0.00 C ATOM 894 C MET A 66 7.256 -5.405 -8.726 1.00 0.00 C ATOM 895 O MET A 66 8.409 -5.760 -8.970 1.00 0.00 O ATOM 896 CB MET A 66 6.499 -4.715 -6.443 1.00 0.00 C ATOM 897 CG MET A 66 5.693 -5.038 -5.196 1.00 0.00 C ATOM 898 SD MET A 66 6.686 -5.823 -3.911 1.00 0.00 S ATOM 899 CE MET A 66 7.909 -4.551 -3.604 1.00 0.00 C ATOM 0 H MET A 66 7.894 -6.790 -6.135 1.00 0.00 H new ATOM 0 HA MET A 66 5.533 -6.159 -7.709 1.00 0.00 H new ATOM 0 HB2 MET A 66 7.516 -4.453 -6.151 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.070 -3.837 -6.925 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.256 -4.120 -4.802 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.866 -5.696 -5.463 1.00 0.00 H new ATOM 0 HE1 MET A 66 8.040 -4.424 -2.529 1.00 0.00 H new ATOM 0 HE2 MET A 66 8.858 -4.843 -4.053 1.00 0.00 H new ATOM 0 HE3 MET A 66 7.574 -3.611 -4.043 1.00 0.00 H new ATOM 909 N ASP A 67 6.556 -4.615 -9.532 1.00 0.00 N ATOM 910 CA ASP A 67 7.115 -4.108 -10.780 1.00 0.00 C ATOM 911 C ASP A 67 7.166 -2.583 -10.772 1.00 0.00 C ATOM 912 O ASP A 67 6.154 -1.917 -10.995 1.00 0.00 O ATOM 913 CB ASP A 67 6.289 -4.597 -11.970 1.00 0.00 C ATOM 914 CG ASP A 67 6.357 -6.102 -12.143 1.00 0.00 C ATOM 915 OD1 ASP A 67 6.728 -6.794 -11.173 1.00 0.00 O ATOM 916 OD2 ASP A 67 6.039 -6.587 -13.249 1.00 0.00 O ATOM 0 H ASP A 67 5.601 -4.312 -9.344 1.00 0.00 H new ATOM 0 HA ASP A 67 8.132 -4.487 -10.874 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.250 -4.296 -11.835 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.646 -4.113 -12.879 1.00 0.00 H new ATOM 921 N CYS A 68 8.349 -2.037 -10.514 1.00 0.00 N ATOM 922 CA CYS A 68 8.532 -0.591 -10.476 1.00 0.00 C ATOM 923 C CYS A 68 8.610 -0.015 -11.886 1.00 0.00 C ATOM 924 O CYS A 68 9.398 -0.475 -12.711 1.00 0.00 O ATOM 925 CB CYS A 68 9.799 -0.236 -9.696 1.00 0.00 C ATOM 926 SG CYS A 68 11.313 -0.942 -10.388 1.00 0.00 S ATOM 0 H CYS A 68 9.196 -2.574 -10.328 1.00 0.00 H new ATOM 0 HA CYS A 68 7.670 -0.154 -9.972 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.899 0.849 -9.661 1.00 0.00 H new ATOM 0 HB3 CYS A 68 9.688 -0.579 -8.667 1.00 0.00 H new ATOM 0 HG CYS A 68 11.194 -1.045 -11.678 1.00 0.00 H new ATOM 932 N GLN A 69 7.786 0.993 -12.154 1.00 0.00 N ATOM 933 CA GLN A 69 7.761 1.630 -13.466 1.00 0.00 C ATOM 934 C GLN A 69 7.197 3.044 -13.374 1.00 0.00 C ATOM 935 O GLN A 69 6.046 3.239 -12.984 1.00 0.00 O ATOM 936 CB GLN A 69 6.928 0.799 -14.444 1.00 0.00 C ATOM 937 CG GLN A 69 6.770 1.445 -15.810 1.00 0.00 C ATOM 938 CD GLN A 69 5.770 0.718 -16.688 1.00 0.00 C ATOM 939 OE1 GLN A 69 5.744 -0.512 -16.731 1.00 0.00 O ATOM 940 NE2 GLN A 69 4.940 1.477 -17.394 1.00 0.00 N ATOM 0 H GLN A 69 7.128 1.386 -11.481 1.00 0.00 H new ATOM 0 HA GLN A 69 8.786 1.690 -13.832 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.394 -0.179 -14.566 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.940 0.630 -14.015 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.452 2.480 -15.684 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.738 1.468 -16.311 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.997 2.493 -17.328 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.245 1.044 -18.003 1.00 0.00 H new ATOM 949 N GLU A 70 8.016 4.027 -13.734 1.00 0.00 N ATOM 950 CA GLU A 70 7.598 5.423 -13.691 1.00 0.00 C ATOM 951 C GLU A 70 6.509 5.698 -14.723 1.00 0.00 C ATOM 952 O GLU A 70 6.507 5.119 -15.811 1.00 0.00 O ATOM 953 CB GLU A 70 8.794 6.345 -13.938 1.00 0.00 C ATOM 954 CG GLU A 70 9.259 6.365 -15.384 1.00 0.00 C ATOM 955 CD GLU A 70 10.154 5.190 -15.726 1.00 0.00 C ATOM 956 OE1 GLU A 70 11.018 4.842 -14.894 1.00 0.00 O ATOM 957 OE2 GLU A 70 9.992 4.619 -16.825 1.00 0.00 O ATOM 0 H GLU A 70 8.972 3.882 -14.058 1.00 0.00 H new ATOM 0 HA GLU A 70 7.193 5.623 -12.699 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.529 7.358 -13.636 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.622 6.030 -13.303 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.390 6.358 -16.041 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.796 7.294 -15.576 1.00 0.00 H new ATOM 964 N THR A 71 5.582 6.585 -14.376 1.00 0.00 N ATOM 965 CA THR A 71 4.486 6.935 -15.270 1.00 0.00 C ATOM 966 C THR A 71 4.284 8.445 -15.327 1.00 0.00 C ATOM 967 O THR A 71 4.645 9.179 -14.407 1.00 0.00 O ATOM 968 CB THR A 71 3.168 6.269 -14.832 1.00 0.00 C ATOM 969 OG1 THR A 71 3.020 6.364 -13.411 1.00 0.00 O ATOM 970 CG2 THR A 71 3.133 4.808 -15.254 1.00 0.00 C ATOM 0 H THR A 71 5.569 7.074 -13.481 1.00 0.00 H new ATOM 0 HA THR A 71 4.758 6.569 -16.260 1.00 0.00 H new ATOM 0 HB THR A 71 2.344 6.791 -15.319 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.179 5.940 -13.141 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.193 4.359 -14.934 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.216 4.740 -16.339 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.965 4.276 -14.792 1.00 0.00 H new ATOM 978 N PRO A 72 3.693 8.923 -16.432 1.00 0.00 N ATOM 979 CA PRO A 72 3.429 10.351 -16.635 1.00 0.00 C ATOM 980 C PRO A 72 2.339 10.876 -15.707 1.00 0.00 C ATOM 981 O PRO A 72 2.091 12.079 -15.646 1.00 0.00 O ATOM 982 CB PRO A 72 2.971 10.423 -18.093 1.00 0.00 C ATOM 983 CG PRO A 72 2.420 9.070 -18.385 1.00 0.00 C ATOM 984 CD PRO A 72 3.237 8.106 -17.569 1.00 0.00 C ATOM 0 HA PRO A 72 4.305 10.963 -16.419 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.216 11.196 -18.233 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.801 10.664 -18.757 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.365 9.012 -18.117 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.492 8.840 -19.448 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.642 7.254 -17.239 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.076 7.707 -18.139 1.00 0.00 H new ATOM 992 N GLU A 73 1.693 9.965 -14.986 1.00 0.00 N ATOM 993 CA GLU A 73 0.629 10.339 -14.061 1.00 0.00 C ATOM 994 C GLU A 73 1.117 10.275 -12.616 1.00 0.00 C ATOM 995 O GLU A 73 0.748 11.106 -11.788 1.00 0.00 O ATOM 996 CB GLU A 73 -0.581 9.420 -14.243 1.00 0.00 C ATOM 997 CG GLU A 73 -1.789 9.835 -13.420 1.00 0.00 C ATOM 998 CD GLU A 73 -2.925 8.834 -13.507 1.00 0.00 C ATOM 999 OE1 GLU A 73 -2.697 7.647 -13.193 1.00 0.00 O ATOM 1000 OE2 GLU A 73 -4.043 9.239 -13.889 1.00 0.00 O ATOM 0 H GLU A 73 1.887 8.964 -15.024 1.00 0.00 H new ATOM 0 HA GLU A 73 0.334 11.365 -14.282 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.858 9.403 -15.297 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.299 8.403 -13.971 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.491 9.952 -12.378 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.140 10.808 -13.762 1.00 0.00 H new ATOM 1007 N GLY A 74 1.949 9.281 -12.322 1.00 0.00 N ATOM 1008 CA GLY A 74 2.473 9.125 -10.977 1.00 0.00 C ATOM 1009 C GLY A 74 3.368 7.909 -10.841 1.00 0.00 C ATOM 1010 O GLY A 74 4.484 7.889 -11.360 1.00 0.00 O ATOM 0 H GLY A 74 2.270 8.581 -12.991 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.035 10.018 -10.703 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.644 9.042 -10.275 1.00 0.00 H new ATOM 1014 N TYR A 75 2.878 6.893 -10.139 1.00 0.00 N ATOM 1015 CA TYR A 75 3.643 5.669 -9.932 1.00 0.00 C ATOM 1016 C TYR A 75 2.723 4.452 -9.890 1.00 0.00 C ATOM 1017 O TYR A 75 1.969 4.262 -8.936 1.00 0.00 O ATOM 1018 CB TYR A 75 4.447 5.759 -8.634 1.00 0.00 C ATOM 1019 CG TYR A 75 5.092 7.108 -8.414 1.00 0.00 C ATOM 1020 CD1 TYR A 75 6.016 7.615 -9.319 1.00 0.00 C ATOM 1021 CD2 TYR A 75 4.778 7.877 -7.300 1.00 0.00 C ATOM 1022 CE1 TYR A 75 6.608 8.848 -9.122 1.00 0.00 C ATOM 1023 CE2 TYR A 75 5.364 9.111 -7.095 1.00 0.00 C ATOM 1024 CZ TYR A 75 6.278 9.592 -8.008 1.00 0.00 C ATOM 1025 OH TYR A 75 6.865 10.820 -7.807 1.00 0.00 O ATOM 0 H TYR A 75 1.955 6.893 -9.704 1.00 0.00 H new ATOM 0 HA TYR A 75 4.330 5.554 -10.770 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.789 5.539 -7.793 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.222 4.992 -8.642 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.276 7.035 -10.192 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.063 7.503 -6.582 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.325 9.227 -9.836 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.107 9.696 -6.224 1.00 0.00 H new ATOM 0 HH TYR A 75 7.829 10.704 -7.674 1.00 0.00 H new ATOM 1035 N LYS A 76 2.791 3.631 -10.932 1.00 0.00 N ATOM 1036 CA LYS A 76 1.967 2.431 -11.016 1.00 0.00 C ATOM 1037 C LYS A 76 2.727 1.212 -10.503 1.00 0.00 C ATOM 1038 O LYS A 76 3.790 0.868 -11.020 1.00 0.00 O ATOM 1039 CB LYS A 76 1.519 2.195 -12.460 1.00 0.00 C ATOM 1040 CG LYS A 76 0.718 0.918 -12.648 1.00 0.00 C ATOM 1041 CD LYS A 76 0.785 0.424 -14.083 1.00 0.00 C ATOM 1042 CE LYS A 76 -0.450 -0.383 -14.453 1.00 0.00 C ATOM 1043 NZ LYS A 76 -0.630 -0.478 -15.928 1.00 0.00 N ATOM 0 H LYS A 76 3.409 3.775 -11.731 1.00 0.00 H new ATOM 0 HA LYS A 76 1.088 2.580 -10.389 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.917 3.043 -12.788 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.398 2.160 -13.103 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.099 0.147 -11.979 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.321 1.095 -12.371 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.881 1.275 -14.758 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.676 -0.190 -14.216 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.368 -1.385 -14.032 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.332 0.079 -14.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.482 -1.036 -16.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.733 0.477 -16.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.200 -0.942 -16.350 1.00 0.00 H new ATOM 1057 N VAL A 77 2.174 0.562 -9.484 1.00 0.00 N ATOM 1058 CA VAL A 77 2.799 -0.621 -8.903 1.00 0.00 C ATOM 1059 C VAL A 77 1.912 -1.849 -9.071 1.00 0.00 C ATOM 1060 O VAL A 77 0.687 -1.755 -9.019 1.00 0.00 O ATOM 1061 CB VAL A 77 3.098 -0.418 -7.405 1.00 0.00 C ATOM 1062 CG1 VAL A 77 3.602 -1.711 -6.782 1.00 0.00 C ATOM 1063 CG2 VAL A 77 4.105 0.705 -7.211 1.00 0.00 C ATOM 0 H VAL A 77 1.295 0.834 -9.044 1.00 0.00 H new ATOM 0 HA VAL A 77 3.737 -0.778 -9.436 1.00 0.00 H new ATOM 0 HB VAL A 77 2.173 -0.136 -6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.808 -1.549 -5.724 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.844 -2.486 -6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.516 -2.025 -7.286 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.305 0.835 -6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.032 0.455 -7.726 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.701 1.631 -7.620 1.00 0.00 H new ATOM 1073 N MET A 78 2.541 -3.003 -9.273 1.00 0.00 N ATOM 1074 CA MET A 78 1.809 -4.252 -9.447 1.00 0.00 C ATOM 1075 C MET A 78 2.358 -5.337 -8.527 1.00 0.00 C ATOM 1076 O MET A 78 3.562 -5.596 -8.506 1.00 0.00 O ATOM 1077 CB MET A 78 1.886 -4.714 -10.904 1.00 0.00 C ATOM 1078 CG MET A 78 1.454 -3.653 -11.902 1.00 0.00 C ATOM 1079 SD MET A 78 1.959 -4.039 -13.589 1.00 0.00 S ATOM 1080 CE MET A 78 3.343 -2.921 -13.793 1.00 0.00 C ATOM 0 H MET A 78 3.555 -3.099 -9.320 1.00 0.00 H new ATOM 0 HA MET A 78 0.766 -4.073 -9.185 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.909 -5.016 -11.127 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.259 -5.597 -11.030 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.370 -3.547 -11.867 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.878 -2.692 -11.611 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.119 -3.407 -14.384 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.009 -2.018 -14.304 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.744 -2.656 -12.815 1.00 0.00 H new ATOM 1090 N TYR A 79 1.469 -5.969 -7.768 1.00 0.00 N ATOM 1091 CA TYR A 79 1.866 -7.024 -6.844 1.00 0.00 C ATOM 1092 C TYR A 79 0.872 -8.181 -6.878 1.00 0.00 C ATOM 1093 O TYR A 79 -0.342 -7.972 -6.908 1.00 0.00 O ATOM 1094 CB TYR A 79 1.974 -6.472 -5.422 1.00 0.00 C ATOM 1095 CG TYR A 79 0.638 -6.305 -4.734 1.00 0.00 C ATOM 1096 CD1 TYR A 79 0.074 -7.347 -4.007 1.00 0.00 C ATOM 1097 CD2 TYR A 79 -0.062 -5.108 -4.812 1.00 0.00 C ATOM 1098 CE1 TYR A 79 -1.146 -7.200 -3.377 1.00 0.00 C ATOM 1099 CE2 TYR A 79 -1.283 -4.951 -4.184 1.00 0.00 C ATOM 1100 CZ TYR A 79 -1.821 -6.000 -3.468 1.00 0.00 C ATOM 1101 OH TYR A 79 -3.037 -5.849 -2.843 1.00 0.00 O ATOM 0 H TYR A 79 0.469 -5.769 -7.775 1.00 0.00 H new ATOM 0 HA TYR A 79 2.841 -7.397 -7.157 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.598 -7.140 -4.828 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.480 -5.507 -5.453 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.599 -8.288 -3.934 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.355 -4.285 -5.373 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.570 -8.020 -2.816 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.813 -4.012 -4.253 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.590 -5.219 -3.351 1.00 0.00 H new ATOM 1111 N THR A 80 1.395 -9.403 -6.874 1.00 0.00 N ATOM 1112 CA THR A 80 0.555 -10.594 -6.905 1.00 0.00 C ATOM 1113 C THR A 80 0.934 -11.562 -5.790 1.00 0.00 C ATOM 1114 O THR A 80 1.914 -12.302 -5.884 1.00 0.00 O ATOM 1115 CB THR A 80 0.661 -11.320 -8.259 1.00 0.00 C ATOM 1116 OG1 THR A 80 0.678 -10.366 -9.327 1.00 0.00 O ATOM 1117 CG2 THR A 80 -0.502 -12.282 -8.449 1.00 0.00 C ATOM 0 H THR A 80 2.397 -9.594 -6.850 1.00 0.00 H new ATOM 0 HA THR A 80 -0.473 -10.261 -6.759 1.00 0.00 H new ATOM 0 HB THR A 80 1.589 -11.891 -8.269 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.058 -10.780 -10.130 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.406 -12.783 -9.412 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.494 -13.025 -7.651 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.441 -11.728 -8.420 1.00 0.00 H new ATOM 1125 N PRO A 81 0.140 -11.562 -4.709 1.00 0.00 N ATOM 1126 CA PRO A 81 0.371 -12.436 -3.556 1.00 0.00 C ATOM 1127 C PRO A 81 0.099 -13.902 -3.876 1.00 0.00 C ATOM 1128 O PRO A 81 -0.852 -14.225 -4.588 1.00 0.00 O ATOM 1129 CB PRO A 81 -0.626 -11.922 -2.515 1.00 0.00 C ATOM 1130 CG PRO A 81 -1.711 -11.285 -3.312 1.00 0.00 C ATOM 1131 CD PRO A 81 -1.046 -10.707 -4.530 1.00 0.00 C ATOM 0 HA PRO A 81 1.409 -12.406 -3.223 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.012 -12.736 -1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -0.159 -11.206 -1.839 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.470 -12.016 -3.592 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.213 -10.508 -2.736 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.701 -10.742 -5.400 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.770 -9.663 -4.380 1.00 0.00 H new ATOM 1139 N MET A 82 0.939 -14.785 -3.347 1.00 0.00 N ATOM 1140 CA MET A 82 0.786 -16.217 -3.575 1.00 0.00 C ATOM 1141 C MET A 82 0.133 -16.893 -2.374 1.00 0.00 C ATOM 1142 O MET A 82 -0.608 -17.864 -2.524 1.00 0.00 O ATOM 1143 CB MET A 82 2.147 -16.858 -3.858 1.00 0.00 C ATOM 1144 CG MET A 82 2.649 -16.618 -5.273 1.00 0.00 C ATOM 1145 SD MET A 82 4.449 -16.593 -5.376 1.00 0.00 S ATOM 1146 CE MET A 82 4.734 -14.903 -5.899 1.00 0.00 C ATOM 0 H MET A 82 1.733 -14.534 -2.757 1.00 0.00 H new ATOM 0 HA MET A 82 0.140 -16.354 -4.442 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.878 -16.467 -3.151 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.077 -17.932 -3.683 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.262 -17.398 -5.929 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.255 -15.670 -5.638 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.805 -14.731 -6.007 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.240 -14.730 -6.855 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.331 -14.218 -5.153 1.00 0.00 H new ATOM 1156 N ALA A 83 0.414 -16.374 -1.183 1.00 0.00 N ATOM 1157 CA ALA A 83 -0.148 -16.926 0.043 1.00 0.00 C ATOM 1158 C ALA A 83 -1.088 -15.931 0.713 1.00 0.00 C ATOM 1159 O ALA A 83 -0.852 -14.722 0.717 1.00 0.00 O ATOM 1160 CB ALA A 83 0.965 -17.330 0.999 1.00 0.00 C ATOM 0 H ALA A 83 1.028 -15.572 -1.042 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.726 -17.812 -0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.531 -17.741 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.595 -18.083 0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.568 -16.456 1.246 1.00 0.00 H new ATOM 1166 N PRO A 84 -2.182 -16.447 1.294 1.00 0.00 N ATOM 1167 CA PRO A 84 -3.180 -15.620 1.978 1.00 0.00 C ATOM 1168 C PRO A 84 -2.649 -15.028 3.279 1.00 0.00 C ATOM 1169 O PRO A 84 -1.582 -15.410 3.756 1.00 0.00 O ATOM 1170 CB PRO A 84 -4.320 -16.601 2.263 1.00 0.00 C ATOM 1171 CG PRO A 84 -3.664 -17.938 2.310 1.00 0.00 C ATOM 1172 CD PRO A 84 -2.528 -17.878 1.327 1.00 0.00 C ATOM 0 HA PRO A 84 -3.479 -14.762 1.376 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.816 -16.369 3.206 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.082 -16.560 1.484 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.300 -18.159 3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.368 -18.727 2.045 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.684 -18.488 1.650 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.827 -18.242 0.344 1.00 0.00 H new ATOM 1180 N GLY A 85 -3.403 -14.092 3.849 1.00 0.00 N ATOM 1181 CA GLY A 85 -2.991 -13.463 5.090 1.00 0.00 C ATOM 1182 C GLY A 85 -3.224 -11.965 5.086 1.00 0.00 C ATOM 1183 O GLY A 85 -4.100 -11.468 4.379 1.00 0.00 O ATOM 0 H GLY A 85 -4.291 -13.759 3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.538 -13.910 5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.933 -13.663 5.261 1.00 0.00 H new ATOM 1187 N ASN A 86 -2.438 -11.243 5.879 1.00 0.00 N ATOM 1188 CA ASN A 86 -2.564 -9.793 5.965 1.00 0.00 C ATOM 1189 C ASN A 86 -1.388 -9.103 5.281 1.00 0.00 C ATOM 1190 O ASN A 86 -0.229 -9.441 5.526 1.00 0.00 O ATOM 1191 CB ASN A 86 -2.648 -9.354 7.428 1.00 0.00 C ATOM 1192 CG ASN A 86 -1.620 -10.049 8.300 1.00 0.00 C ATOM 1193 OD1 ASN A 86 -0.415 -9.886 8.109 1.00 0.00 O ATOM 1194 ND2 ASN A 86 -2.093 -10.830 9.264 1.00 0.00 N ATOM 0 H ASN A 86 -1.708 -11.639 6.471 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.481 -9.501 5.452 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.503 -8.275 7.490 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.647 -9.564 7.811 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.449 -11.324 9.882 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.100 -10.936 9.386 1.00 0.00 H new ATOM 1201 N TYR A 87 -1.694 -8.135 4.425 1.00 0.00 N ATOM 1202 CA TYR A 87 -0.662 -7.398 3.705 1.00 0.00 C ATOM 1203 C TYR A 87 -0.783 -5.899 3.962 1.00 0.00 C ATOM 1204 O TYR A 87 -1.877 -5.383 4.195 1.00 0.00 O ATOM 1205 CB TYR A 87 -0.760 -7.678 2.204 1.00 0.00 C ATOM 1206 CG TYR A 87 -0.178 -9.013 1.798 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -0.683 -10.199 2.317 1.00 0.00 C ATOM 1208 CD2 TYR A 87 0.878 -9.089 0.898 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -0.154 -11.422 1.950 1.00 0.00 C ATOM 1210 CE2 TYR A 87 1.412 -10.307 0.524 1.00 0.00 C ATOM 1211 CZ TYR A 87 0.893 -11.470 1.053 1.00 0.00 C ATOM 1212 OH TYR A 87 1.423 -12.685 0.684 1.00 0.00 O ATOM 0 H TYR A 87 -2.648 -7.842 4.213 1.00 0.00 H new ATOM 0 HA TYR A 87 0.309 -7.734 4.069 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.807 -7.641 1.904 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.245 -6.886 1.661 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.503 -10.165 3.019 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.288 -8.180 0.484 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.558 -12.335 2.363 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.231 -10.348 -0.179 1.00 0.00 H new ATOM 0 HH TYR A 87 0.716 -13.364 0.685 1.00 0.00 H new ATOM 1222 N LEU A 88 0.349 -5.205 3.919 1.00 0.00 N ATOM 1223 CA LEU A 88 0.372 -3.764 4.146 1.00 0.00 C ATOM 1224 C LEU A 88 1.080 -3.044 3.003 1.00 0.00 C ATOM 1225 O LEU A 88 2.114 -3.500 2.514 1.00 0.00 O ATOM 1226 CB LEU A 88 1.068 -3.449 5.471 1.00 0.00 C ATOM 1227 CG LEU A 88 0.619 -2.169 6.178 1.00 0.00 C ATOM 1228 CD1 LEU A 88 -0.592 -2.442 7.057 1.00 0.00 C ATOM 1229 CD2 LEU A 88 1.758 -1.586 7.002 1.00 0.00 C ATOM 0 H LEU A 88 1.263 -5.617 3.729 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.658 -3.411 4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.912 -4.288 6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.140 -3.382 5.288 1.00 0.00 H new ATOM 0 HG LEU A 88 0.336 -1.439 5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.897 -1.520 7.552 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.412 -2.812 6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.336 -3.189 7.808 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.420 -0.676 7.498 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.073 -2.312 7.752 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.598 -1.352 6.348 1.00 0.00 H new ATOM 1241 N ILE A 89 0.517 -1.915 2.584 1.00 0.00 N ATOM 1242 CA ILE A 89 1.096 -1.130 1.500 1.00 0.00 C ATOM 1243 C ILE A 89 1.418 0.287 1.961 1.00 0.00 C ATOM 1244 O ILE A 89 0.522 1.059 2.302 1.00 0.00 O ATOM 1245 CB ILE A 89 0.150 -1.062 0.287 1.00 0.00 C ATOM 1246 CG1 ILE A 89 -0.313 -2.466 -0.106 1.00 0.00 C ATOM 1247 CG2 ILE A 89 0.840 -0.379 -0.884 1.00 0.00 C ATOM 1248 CD1 ILE A 89 -1.579 -2.475 -0.934 1.00 0.00 C ATOM 0 H ILE A 89 -0.339 -1.524 2.978 1.00 0.00 H new ATOM 0 HA ILE A 89 2.017 -1.631 1.203 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.726 -0.475 0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.482 -2.958 -0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.476 -3.053 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.159 -0.338 -1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.125 0.634 -0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.731 -0.942 -1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.848 -3.503 -1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.387 -2.012 -0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.415 -1.916 -1.855 1.00 0.00 H new ATOM 1260 N SER A 90 2.704 0.624 1.965 1.00 0.00 N ATOM 1261 CA SER A 90 3.145 1.949 2.385 1.00 0.00 C ATOM 1262 C SER A 90 3.190 2.908 1.199 1.00 0.00 C ATOM 1263 O SER A 90 3.582 2.530 0.094 1.00 0.00 O ATOM 1264 CB SER A 90 4.525 1.866 3.041 1.00 0.00 C ATOM 1265 OG SER A 90 5.505 1.431 2.114 1.00 0.00 O ATOM 0 H SER A 90 3.458 -0.002 1.682 1.00 0.00 H new ATOM 0 HA SER A 90 2.427 2.331 3.111 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.802 2.843 3.437 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.489 1.179 3.886 1.00 0.00 H new ATOM 0 HG SER A 90 5.270 0.539 1.784 1.00 0.00 H new ATOM 1271 N VAL A 91 2.787 4.152 1.436 1.00 0.00 N ATOM 1272 CA VAL A 91 2.781 5.167 0.389 1.00 0.00 C ATOM 1273 C VAL A 91 3.359 6.483 0.896 1.00 0.00 C ATOM 1274 O VAL A 91 2.923 7.013 1.918 1.00 0.00 O ATOM 1275 CB VAL A 91 1.358 5.415 -0.145 1.00 0.00 C ATOM 1276 CG1 VAL A 91 1.388 6.387 -1.314 1.00 0.00 C ATOM 1277 CG2 VAL A 91 0.704 4.103 -0.549 1.00 0.00 C ATOM 0 H VAL A 91 2.460 4.482 2.344 1.00 0.00 H new ATOM 0 HA VAL A 91 3.404 4.789 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 91 0.763 5.861 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.374 6.550 -1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.813 7.336 -0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.999 5.973 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.301 4.298 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.297 3.626 -1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.647 3.443 0.317 1.00 0.00 H new ATOM 1287 N LYS A 92 4.344 7.008 0.174 1.00 0.00 N ATOM 1288 CA LYS A 92 4.982 8.264 0.549 1.00 0.00 C ATOM 1289 C LYS A 92 5.346 9.079 -0.688 1.00 0.00 C ATOM 1290 O LYS A 92 5.562 8.526 -1.766 1.00 0.00 O ATOM 1291 CB LYS A 92 6.237 7.994 1.382 1.00 0.00 C ATOM 1292 CG LYS A 92 5.947 7.350 2.727 1.00 0.00 C ATOM 1293 CD LYS A 92 7.211 6.801 3.367 1.00 0.00 C ATOM 1294 CE LYS A 92 7.495 5.379 2.910 1.00 0.00 C ATOM 1295 NZ LYS A 92 8.889 4.962 3.227 1.00 0.00 N ATOM 0 H LYS A 92 4.718 6.582 -0.674 1.00 0.00 H new ATOM 0 HA LYS A 92 4.274 8.838 1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.907 7.347 0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.764 8.934 1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.491 8.084 3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 92 5.224 6.544 2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.056 7.441 3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.109 6.822 4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.794 4.696 3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.329 5.303 1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.043 3.987 2.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.559 5.598 2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.040 5.010 4.255 1.00 0.00 H new ATOM 1309 N TYR A 93 5.414 10.396 -0.524 1.00 0.00 N ATOM 1310 CA TYR A 93 5.751 11.287 -1.627 1.00 0.00 C ATOM 1311 C TYR A 93 7.000 12.103 -1.306 1.00 0.00 C ATOM 1312 O TYR A 93 7.004 12.915 -0.382 1.00 0.00 O ATOM 1313 CB TYR A 93 4.580 12.223 -1.931 1.00 0.00 C ATOM 1314 CG TYR A 93 4.606 13.504 -1.128 1.00 0.00 C ATOM 1315 CD1 TYR A 93 4.120 13.542 0.173 1.00 0.00 C ATOM 1316 CD2 TYR A 93 5.116 14.677 -1.671 1.00 0.00 C ATOM 1317 CE1 TYR A 93 4.141 14.711 0.910 1.00 0.00 C ATOM 1318 CE2 TYR A 93 5.142 15.850 -0.942 1.00 0.00 C ATOM 1319 CZ TYR A 93 4.653 15.862 0.348 1.00 0.00 C ATOM 1320 OH TYR A 93 4.677 17.028 1.079 1.00 0.00 O ATOM 0 H TYR A 93 5.240 10.870 0.363 1.00 0.00 H new ATOM 0 HA TYR A 93 5.955 10.675 -2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.588 12.469 -2.993 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.645 11.698 -1.733 1.00 0.00 H new ATOM 0 HD1 TYR A 93 3.719 12.642 0.616 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.499 14.671 -2.681 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.759 14.723 1.920 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.543 16.752 -1.379 1.00 0.00 H new ATOM 0 HH TYR A 93 4.191 17.728 0.595 1.00 0.00 H new ATOM 1330 N GLY A 94 8.059 11.881 -2.079 1.00 0.00 N ATOM 1331 CA GLY A 94 9.299 12.603 -1.863 1.00 0.00 C ATOM 1332 C GLY A 94 9.524 12.944 -0.403 1.00 0.00 C ATOM 1333 O GLY A 94 9.747 14.104 -0.057 1.00 0.00 O ATOM 0 H GLY A 94 8.080 11.214 -2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.133 12.003 -2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.288 13.521 -2.450 1.00 0.00 H new ATOM 1337 N GLY A 95 9.464 11.932 0.457 1.00 0.00 N ATOM 1338 CA GLY A 95 9.663 12.151 1.877 1.00 0.00 C ATOM 1339 C GLY A 95 9.186 10.983 2.717 1.00 0.00 C ATOM 1340 O GLY A 95 8.470 10.101 2.242 1.00 0.00 O ATOM 0 H GLY A 95 9.281 10.963 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.722 12.324 2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.132 13.053 2.180 1.00 0.00 H new ATOM 1344 N PRO A 96 9.588 10.966 3.997 1.00 0.00 N ATOM 1345 CA PRO A 96 9.209 9.902 4.931 1.00 0.00 C ATOM 1346 C PRO A 96 7.729 9.949 5.294 1.00 0.00 C ATOM 1347 O PRO A 96 7.131 8.929 5.633 1.00 0.00 O ATOM 1348 CB PRO A 96 10.071 10.189 6.163 1.00 0.00 C ATOM 1349 CG PRO A 96 10.358 11.649 6.093 1.00 0.00 C ATOM 1350 CD PRO A 96 10.442 11.985 4.630 1.00 0.00 C ATOM 0 HA PRO A 96 9.365 8.911 4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.545 9.933 7.083 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.990 9.604 6.148 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.572 12.225 6.581 1.00 0.00 H new ATOM 0 HG3 PRO A 96 11.291 11.888 6.602 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.081 12.994 4.428 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.467 11.934 4.264 1.00 0.00 H new ATOM 1358 N ASN A 97 7.144 11.140 5.221 1.00 0.00 N ATOM 1359 CA ASN A 97 5.732 11.320 5.542 1.00 0.00 C ATOM 1360 C ASN A 97 4.855 10.456 4.641 1.00 0.00 C ATOM 1361 O ASN A 97 5.161 10.258 3.464 1.00 0.00 O ATOM 1362 CB ASN A 97 5.338 12.791 5.398 1.00 0.00 C ATOM 1363 CG ASN A 97 6.432 13.731 5.867 1.00 0.00 C ATOM 1364 OD1 ASN A 97 7.143 14.327 5.058 1.00 0.00 O ATOM 1365 ND2 ASN A 97 6.571 13.868 7.180 1.00 0.00 N ATOM 0 H ASN A 97 7.625 11.995 4.942 1.00 0.00 H new ATOM 0 HA ASN A 97 5.578 11.009 6.575 1.00 0.00 H new ATOM 0 HB2 ASN A 97 5.105 13.001 4.354 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.430 12.979 5.972 1.00 0.00 H new ATOM 0 HD21 ASN A 97 7.290 14.487 7.555 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.959 13.354 7.814 1.00 0.00 H new ATOM 1372 N HIS A 98 3.763 9.945 5.201 1.00 0.00 N ATOM 1373 CA HIS A 98 2.841 9.103 4.447 1.00 0.00 C ATOM 1374 C HIS A 98 1.607 9.894 4.022 1.00 0.00 C ATOM 1375 O HIS A 98 1.364 10.995 4.517 1.00 0.00 O ATOM 1376 CB HIS A 98 2.421 7.894 5.284 1.00 0.00 C ATOM 1377 CG HIS A 98 1.864 8.258 6.626 1.00 0.00 C ATOM 1378 ND1 HIS A 98 0.519 8.458 6.853 1.00 0.00 N ATOM 1379 CD2 HIS A 98 2.479 8.456 7.815 1.00 0.00 C ATOM 1380 CE1 HIS A 98 0.330 8.766 8.124 1.00 0.00 C ATOM 1381 NE2 HIS A 98 1.504 8.771 8.730 1.00 0.00 N ATOM 0 H HIS A 98 3.495 10.099 6.173 1.00 0.00 H new ATOM 0 HA HIS A 98 3.355 8.755 3.551 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.674 7.323 4.733 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.283 7.241 5.423 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.539 8.380 8.009 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -0.622 8.978 8.588 1.00 0.00 H new ATOM 0 HE2 HIS A 98 1.661 8.976 9.717 1.00 0.00 H new ATOM 1389 N ILE A 99 0.834 9.327 3.102 1.00 0.00 N ATOM 1390 CA ILE A 99 -0.373 9.979 2.611 1.00 0.00 C ATOM 1391 C ILE A 99 -1.611 9.460 3.334 1.00 0.00 C ATOM 1392 O ILE A 99 -1.558 8.445 4.028 1.00 0.00 O ATOM 1393 CB ILE A 99 -0.551 9.768 1.096 1.00 0.00 C ATOM 1394 CG1 ILE A 99 -0.838 8.296 0.795 1.00 0.00 C ATOM 1395 CG2 ILE A 99 0.688 10.235 0.347 1.00 0.00 C ATOM 1396 CD1 ILE A 99 -1.660 8.084 -0.458 1.00 0.00 C ATOM 0 H ILE A 99 1.022 8.417 2.682 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.259 11.045 2.810 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.401 10.361 0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.108 7.763 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.363 7.856 1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.547 10.079 -0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.852 11.295 0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.554 9.666 0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.825 7.017 -0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.621 8.588 -0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.127 8.494 -1.316 1.00 0.00 H new ATOM 1408 N VAL A 100 -2.726 10.164 3.166 1.00 0.00 N ATOM 1409 CA VAL A 100 -3.980 9.774 3.800 1.00 0.00 C ATOM 1410 C VAL A 100 -4.422 8.390 3.337 1.00 0.00 C ATOM 1411 O VAL A 100 -4.314 8.055 2.158 1.00 0.00 O ATOM 1412 CB VAL A 100 -5.100 10.787 3.499 1.00 0.00 C ATOM 1413 CG1 VAL A 100 -6.457 10.209 3.873 1.00 0.00 C ATOM 1414 CG2 VAL A 100 -4.848 12.094 4.235 1.00 0.00 C ATOM 0 H VAL A 100 -2.786 11.008 2.596 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.799 9.754 4.875 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.101 10.993 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.236 10.939 3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.637 9.301 3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -6.471 9.972 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.649 12.798 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.819 11.907 5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.895 12.514 3.914 1.00 0.00 H new ATOM 1424 N GLY A 101 -4.923 7.590 4.273 1.00 0.00 N ATOM 1425 CA GLY A 101 -5.375 6.252 3.941 1.00 0.00 C ATOM 1426 C GLY A 101 -4.353 5.190 4.296 1.00 0.00 C ATOM 1427 O GLY A 101 -4.696 4.156 4.870 1.00 0.00 O ATOM 0 H GLY A 101 -5.024 7.845 5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.307 6.046 4.467 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.593 6.200 2.874 1.00 0.00 H new ATOM 1431 N SER A 102 -3.094 5.444 3.954 1.00 0.00 N ATOM 1432 CA SER A 102 -2.020 4.499 4.235 1.00 0.00 C ATOM 1433 C SER A 102 -1.601 4.573 5.700 1.00 0.00 C ATOM 1434 O SER A 102 -1.748 5.600 6.363 1.00 0.00 O ATOM 1435 CB SER A 102 -0.816 4.780 3.334 1.00 0.00 C ATOM 1436 OG SER A 102 0.398 4.458 3.989 1.00 0.00 O ATOM 0 H SER A 102 -2.793 6.296 3.482 1.00 0.00 H new ATOM 0 HA SER A 102 -2.391 3.494 4.031 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.902 4.200 2.415 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.810 5.832 3.047 1.00 0.00 H new ATOM 0 HG SER A 102 1.073 5.137 3.780 1.00 0.00 H new ATOM 1442 N PRO A 103 -1.066 3.457 6.218 1.00 0.00 N ATOM 1443 CA PRO A 103 -0.887 2.229 5.439 1.00 0.00 C ATOM 1444 C PRO A 103 -2.214 1.555 5.105 1.00 0.00 C ATOM 1445 O PRO A 103 -3.214 1.755 5.795 1.00 0.00 O ATOM 1446 CB PRO A 103 -0.053 1.340 6.365 1.00 0.00 C ATOM 1447 CG PRO A 103 -0.360 1.830 7.738 1.00 0.00 C ATOM 1448 CD PRO A 103 -0.596 3.309 7.606 1.00 0.00 C ATOM 0 HA PRO A 103 -0.417 2.423 4.475 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -0.320 0.289 6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.011 1.425 6.143 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.239 1.329 8.144 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.466 1.626 8.419 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -1.338 3.663 8.321 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.316 3.879 7.784 1.00 0.00 H new ATOM 1456 N PHE A 104 -2.216 0.756 4.044 1.00 0.00 N ATOM 1457 CA PHE A 104 -3.420 0.053 3.619 1.00 0.00 C ATOM 1458 C PHE A 104 -3.468 -1.352 4.212 1.00 0.00 C ATOM 1459 O PHE A 104 -2.618 -2.193 3.917 1.00 0.00 O ATOM 1460 CB PHE A 104 -3.479 -0.024 2.092 1.00 0.00 C ATOM 1461 CG PHE A 104 -3.893 1.265 1.442 1.00 0.00 C ATOM 1462 CD1 PHE A 104 -5.191 1.734 1.566 1.00 0.00 C ATOM 1463 CD2 PHE A 104 -2.984 2.010 0.708 1.00 0.00 C ATOM 1464 CE1 PHE A 104 -5.575 2.920 0.969 1.00 0.00 C ATOM 1465 CE2 PHE A 104 -3.362 3.197 0.108 1.00 0.00 C ATOM 1466 CZ PHE A 104 -4.659 3.652 0.240 1.00 0.00 C ATOM 0 H PHE A 104 -1.397 0.579 3.462 1.00 0.00 H new ATOM 0 HA PHE A 104 -4.283 0.611 3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.499 -0.314 1.713 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.178 -0.808 1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.911 1.166 2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.968 1.659 0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.590 3.274 1.073 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.644 3.767 -0.463 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.957 4.579 -0.226 1.00 0.00 H new ATOM 1476 N LYS A 105 -4.468 -1.600 5.052 1.00 0.00 N ATOM 1477 CA LYS A 105 -4.629 -2.902 5.687 1.00 0.00 C ATOM 1478 C LYS A 105 -5.580 -3.785 4.885 1.00 0.00 C ATOM 1479 O LYS A 105 -6.762 -3.892 5.207 1.00 0.00 O ATOM 1480 CB LYS A 105 -5.154 -2.734 7.115 1.00 0.00 C ATOM 1481 CG LYS A 105 -4.091 -2.297 8.107 1.00 0.00 C ATOM 1482 CD LYS A 105 -4.705 -1.637 9.330 1.00 0.00 C ATOM 1483 CE LYS A 105 -5.173 -2.669 10.344 1.00 0.00 C ATOM 1484 NZ LYS A 105 -6.285 -2.151 11.189 1.00 0.00 N ATOM 0 H LYS A 105 -5.179 -0.915 5.308 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.653 -3.386 5.719 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.960 -2.000 7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.584 -3.679 7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.503 -3.162 8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.405 -1.602 7.623 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.973 -0.976 9.794 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.548 -1.016 9.025 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.502 -3.568 9.822 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.337 -2.958 10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.576 -2.884 11.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.964 -1.308 11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.093 -1.899 10.584 1.00 0.00 H new ATOM 1498 N ALA A 106 -5.054 -4.416 3.841 1.00 0.00 N ATOM 1499 CA ALA A 106 -5.855 -5.293 2.995 1.00 0.00 C ATOM 1500 C ALA A 106 -5.766 -6.741 3.466 1.00 0.00 C ATOM 1501 O ALA A 106 -4.864 -7.105 4.221 1.00 0.00 O ATOM 1502 CB ALA A 106 -5.410 -5.179 1.545 1.00 0.00 C ATOM 0 H ALA A 106 -4.077 -4.337 3.560 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.896 -4.977 3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.017 -5.839 0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.532 -4.150 1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.362 -5.466 1.462 1.00 0.00 H new ATOM 1508 N LYS A 107 -6.708 -7.563 3.016 1.00 0.00 N ATOM 1509 CA LYS A 107 -6.736 -8.972 3.389 1.00 0.00 C ATOM 1510 C LYS A 107 -6.628 -9.864 2.157 1.00 0.00 C ATOM 1511 O LYS A 107 -7.314 -9.646 1.158 1.00 0.00 O ATOM 1512 CB LYS A 107 -8.023 -9.292 4.152 1.00 0.00 C ATOM 1513 CG LYS A 107 -8.147 -10.753 4.550 1.00 0.00 C ATOM 1514 CD LYS A 107 -7.483 -11.024 5.890 1.00 0.00 C ATOM 1515 CE LYS A 107 -7.430 -12.513 6.194 1.00 0.00 C ATOM 1516 NZ LYS A 107 -6.461 -12.823 7.282 1.00 0.00 N ATOM 0 H LYS A 107 -7.463 -7.277 2.392 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.879 -9.169 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -8.066 -8.675 5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.879 -9.018 3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.200 -11.029 4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.691 -11.380 3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.472 -10.616 5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.031 -10.510 6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.422 -12.860 6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.150 -13.058 5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -6.454 -13.848 7.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -5.509 -12.515 6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -6.742 -12.323 8.150 1.00 0.00 H new ATOM 1530 N VAL A 108 -5.763 -10.870 2.234 1.00 0.00 N ATOM 1531 CA VAL A 108 -5.567 -11.797 1.126 1.00 0.00 C ATOM 1532 C VAL A 108 -6.172 -13.161 1.437 1.00 0.00 C ATOM 1533 O VAL A 108 -5.709 -13.870 2.331 1.00 0.00 O ATOM 1534 CB VAL A 108 -4.072 -11.974 0.800 1.00 0.00 C ATOM 1535 CG1 VAL A 108 -3.892 -12.484 -0.622 1.00 0.00 C ATOM 1536 CG2 VAL A 108 -3.324 -10.665 1.004 1.00 0.00 C ATOM 0 H VAL A 108 -5.186 -11.064 3.053 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.072 -11.367 0.261 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.655 -12.715 1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.829 -12.603 -0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.393 -13.446 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.324 -11.769 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.269 -10.808 0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.741 -9.901 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.425 -10.346 2.041 1.00 0.00 H new ATOM 1546 N THR A 109 -7.212 -13.525 0.692 1.00 0.00 N ATOM 1547 CA THR A 109 -7.882 -14.804 0.887 1.00 0.00 C ATOM 1548 C THR A 109 -7.703 -15.710 -0.326 1.00 0.00 C ATOM 1549 O THR A 109 -7.466 -15.237 -1.436 1.00 0.00 O ATOM 1550 CB THR A 109 -9.387 -14.614 1.155 1.00 0.00 C ATOM 1551 OG1 THR A 109 -9.962 -13.775 0.148 1.00 0.00 O ATOM 1552 CG2 THR A 109 -9.619 -14.001 2.527 1.00 0.00 C ATOM 0 H THR A 109 -7.608 -12.951 -0.052 1.00 0.00 H new ATOM 0 HA THR A 109 -7.422 -15.273 1.757 1.00 0.00 H new ATOM 0 HB THR A 109 -9.865 -15.593 1.127 1.00 0.00 H new ATOM 0 HG1 THR A 109 -10.919 -13.661 0.325 1.00 0.00 H new ATOM 0 HG21 THR A 109 -10.689 -13.876 2.694 1.00 0.00 H new ATOM 0 HG22 THR A 109 -9.206 -14.657 3.293 1.00 0.00 H new ATOM 0 HG23 THR A 109 -9.128 -13.029 2.579 1.00 0.00 H new ATOM 1560 N GLY A 110 -7.819 -17.016 -0.106 1.00 0.00 N ATOM 1561 CA GLY A 110 -7.668 -17.967 -1.191 1.00 0.00 C ATOM 1562 C GLY A 110 -6.616 -19.018 -0.899 1.00 0.00 C ATOM 1563 O GLY A 110 -5.469 -18.689 -0.598 1.00 0.00 O ATOM 0 H GLY A 110 -8.015 -17.432 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.624 -18.456 -1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.401 -17.433 -2.103 1.00 0.00 H new ATOM 1567 N GLN A 111 -7.007 -20.286 -0.987 1.00 0.00 N ATOM 1568 CA GLN A 111 -6.088 -21.388 -0.726 1.00 0.00 C ATOM 1569 C GLN A 111 -4.784 -21.203 -1.496 1.00 0.00 C ATOM 1570 O GLN A 111 -4.791 -21.030 -2.715 1.00 0.00 O ATOM 1571 CB GLN A 111 -6.735 -22.720 -1.109 1.00 0.00 C ATOM 1572 CG GLN A 111 -7.622 -23.300 -0.019 1.00 0.00 C ATOM 1573 CD GLN A 111 -9.011 -22.693 -0.012 1.00 0.00 C ATOM 1574 OE1 GLN A 111 -9.647 -22.558 -1.057 1.00 0.00 O ATOM 1575 NE2 GLN A 111 -9.490 -22.325 1.171 1.00 0.00 N ATOM 0 H GLN A 111 -7.953 -20.575 -1.237 1.00 0.00 H new ATOM 0 HA GLN A 111 -5.862 -21.395 0.340 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -7.328 -22.580 -2.013 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -5.952 -23.439 -1.350 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -7.702 -24.378 -0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -7.153 -23.136 0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -8.928 -22.456 2.012 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -10.420 -21.912 1.238 1.00 0.00 H new ATOM 1584 N ARG A 112 -3.668 -21.240 -0.776 1.00 0.00 N ATOM 1585 CA ARG A 112 -2.356 -21.075 -1.391 1.00 0.00 C ATOM 1586 C ARG A 112 -2.326 -21.699 -2.783 1.00 0.00 C ATOM 1587 O ARG A 112 -2.962 -22.725 -3.029 1.00 0.00 O ATOM 1588 CB ARG A 112 -1.274 -21.706 -0.513 1.00 0.00 C ATOM 1589 CG ARG A 112 -1.253 -23.225 -0.572 1.00 0.00 C ATOM 1590 CD ARG A 112 -0.216 -23.804 0.378 1.00 0.00 C ATOM 1591 NE ARG A 112 -0.144 -25.260 0.288 1.00 0.00 N ATOM 1592 CZ ARG A 112 0.862 -25.978 0.775 1.00 0.00 C ATOM 1593 NH1 ARG A 112 1.875 -25.377 1.384 1.00 0.00 N ATOM 1594 NH2 ARG A 112 0.855 -27.299 0.655 1.00 0.00 N ATOM 0 H ARG A 112 -3.646 -21.383 0.234 1.00 0.00 H new ATOM 0 HA ARG A 112 -2.159 -20.007 -1.486 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.300 -21.325 -0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.427 -21.393 0.520 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -2.239 -23.614 -0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.036 -23.548 -1.590 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.761 -23.378 0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.460 -23.516 1.400 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.908 -25.753 -0.174 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.883 -24.361 1.479 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.646 -25.930 1.757 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.077 -27.765 0.188 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.628 -27.849 1.029 1.00 0.00 H new ATOM 1608 N LEU A 113 -1.584 -21.074 -3.690 1.00 0.00 N ATOM 1609 CA LEU A 113 -1.471 -21.568 -5.058 1.00 0.00 C ATOM 1610 C LEU A 113 -0.187 -22.372 -5.243 1.00 0.00 C ATOM 1611 O LEU A 113 0.912 -21.818 -5.229 1.00 0.00 O ATOM 1612 CB LEU A 113 -1.502 -20.401 -6.047 1.00 0.00 C ATOM 1613 CG LEU A 113 -2.825 -19.641 -6.146 1.00 0.00 C ATOM 1614 CD1 LEU A 113 -2.584 -18.206 -6.590 1.00 0.00 C ATOM 1615 CD2 LEU A 113 -3.775 -20.345 -7.103 1.00 0.00 C ATOM 0 H LEU A 113 -1.052 -20.224 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.320 -22.224 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.720 -19.694 -5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -1.250 -20.782 -7.036 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.286 -19.622 -5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.537 -17.680 -6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.941 -17.704 -5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.101 -18.204 -7.567 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.711 -19.790 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.322 -20.396 -8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.973 -21.354 -6.742 1.00 0.00 H new