USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=26 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 Single : A 20 ASN :FLIP amide:sc= -4.55! C(o=-9.9!,f=-4.5!) 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= 0.0367 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0141 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 -54:sc= 0.852 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 40:sc= 0.142 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0146 USER MOD Single : A 62 SER OG : rot -179:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -117:sc= -5.18! (180deg=-11.3!) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.611 USER MOD Single : A 69 GLN : amide:sc= -0.234 K(o=-0.23,f=-1) USER MOD Single : A 71 THR OG1 : rot -20:sc= 0.888 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -131:sc= -0.0644 (180deg=-1.69) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -121:sc= 0.354 USER MOD Single : A 80 THR OG1 : rot 170:sc= -0.743 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.45 K(o=-0.45,f=-5.3!) USER MOD Single : A 87 TYR OH : rot -166:sc= 0.0691 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0544 X(o=-0.054,f=-0.31) USER MOD Single : A 98 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.3) USER MOD Single : A 102 SER OG : rot 19:sc= 0.846 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -129:sc= -0.508 (180deg=-2.73!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 241 N ASN A 20 4.075 17.010 -1.415 1.00 0.00 N ATOM 242 CA ASN A 20 3.022 17.094 -0.409 1.00 0.00 C ATOM 243 C ASN A 20 2.119 15.866 -0.463 1.00 0.00 C ATOM 244 O ASN A 20 1.472 15.583 -1.472 1.00 0.00 O ATOM 245 CB ASN A 20 2.190 18.362 -0.616 1.00 0.00 C ATOM 246 CG ASN A 20 1.886 18.622 -2.079 1.00 0.00 C ATOM 247 OD1 ASN A 20 0.964 17.847 -2.638 1.00 0.00 O flip ATOM 248 ND2 ASN A 20 2.474 19.509 -2.698 1.00 0.00 N flip ATOM 0 HA ASN A 20 3.494 17.133 0.573 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.255 18.274 -0.064 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.725 19.216 -0.202 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.176 20.080 -2.227 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.260 19.673 -3.682 1.00 0.00 H new ATOM 255 N PRO A 21 2.071 15.117 0.649 1.00 0.00 N ATOM 256 CA PRO A 21 1.250 13.907 0.754 1.00 0.00 C ATOM 257 C PRO A 21 -0.242 14.221 0.783 1.00 0.00 C ATOM 258 O PRO A 21 -1.065 13.407 0.365 1.00 0.00 O ATOM 259 CB PRO A 21 1.693 13.292 2.084 1.00 0.00 C ATOM 260 CG PRO A 21 2.206 14.442 2.881 1.00 0.00 C ATOM 261 CD PRO A 21 2.815 15.394 1.889 1.00 0.00 C ATOM 0 HA PRO A 21 1.385 13.246 -0.102 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.862 12.800 2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.466 12.538 1.934 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.401 14.921 3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.946 14.112 3.610 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.699 16.431 2.204 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.883 15.216 1.765 1.00 0.00 H new ATOM 269 N ALA A 22 -0.584 15.405 1.280 1.00 0.00 N ATOM 270 CA ALA A 22 -1.977 15.826 1.361 1.00 0.00 C ATOM 271 C ALA A 22 -2.675 15.679 0.013 1.00 0.00 C ATOM 272 O ALA A 22 -3.775 15.131 -0.072 1.00 0.00 O ATOM 273 CB ALA A 22 -2.066 17.265 1.849 1.00 0.00 C ATOM 0 H ALA A 22 0.085 16.090 1.633 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.485 15.179 2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.112 17.566 1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.613 17.343 2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.537 17.918 1.155 1.00 0.00 H new ATOM 279 N LEU A 23 -2.029 16.172 -1.038 1.00 0.00 N ATOM 280 CA LEU A 23 -2.588 16.095 -2.384 1.00 0.00 C ATOM 281 C LEU A 23 -2.485 14.678 -2.937 1.00 0.00 C ATOM 282 O LEU A 23 -3.405 14.187 -3.592 1.00 0.00 O ATOM 283 CB LEU A 23 -1.866 17.072 -3.314 1.00 0.00 C ATOM 284 CG LEU A 23 -1.855 18.536 -2.873 1.00 0.00 C ATOM 285 CD1 LEU A 23 -1.062 19.383 -3.855 1.00 0.00 C ATOM 286 CD2 LEU A 23 -3.277 19.062 -2.738 1.00 0.00 C ATOM 0 H LEU A 23 -1.119 16.629 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.642 16.367 -2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.834 16.740 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.329 17.014 -4.299 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.371 18.599 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.065 20.422 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.035 19.020 -3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.516 19.315 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.251 20.105 -2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.786 18.985 -3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.814 18.472 -1.995 1.00 0.00 H new ATOM 298 N VAL A 24 -1.360 14.023 -2.667 1.00 0.00 N ATOM 299 CA VAL A 24 -1.138 12.660 -3.134 1.00 0.00 C ATOM 300 C VAL A 24 -2.340 11.773 -2.834 1.00 0.00 C ATOM 301 O VAL A 24 -2.985 11.915 -1.795 1.00 0.00 O ATOM 302 CB VAL A 24 0.117 12.043 -2.488 1.00 0.00 C ATOM 303 CG1 VAL A 24 0.144 10.538 -2.706 1.00 0.00 C ATOM 304 CG2 VAL A 24 1.376 12.693 -3.041 1.00 0.00 C ATOM 0 H VAL A 24 -0.588 14.415 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.992 12.715 -4.213 1.00 0.00 H new ATOM 0 HB VAL A 24 0.081 12.230 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.037 10.119 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.742 10.089 -2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.156 10.325 -3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.253 12.245 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.421 12.539 -4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.358 13.762 -2.827 1.00 0.00 H new ATOM 314 N SER A 25 -2.636 10.856 -3.750 1.00 0.00 N ATOM 315 CA SER A 25 -3.764 9.946 -3.584 1.00 0.00 C ATOM 316 C SER A 25 -3.461 8.587 -4.207 1.00 0.00 C ATOM 317 O SER A 25 -2.668 8.483 -5.142 1.00 0.00 O ATOM 318 CB SER A 25 -5.023 10.541 -4.218 1.00 0.00 C ATOM 319 OG SER A 25 -5.355 11.784 -3.623 1.00 0.00 O ATOM 0 H SER A 25 -2.111 10.724 -4.614 1.00 0.00 H new ATOM 0 HA SER A 25 -3.934 9.807 -2.516 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.866 10.677 -5.288 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.855 9.846 -4.104 1.00 0.00 H new ATOM 0 HG SER A 25 -6.162 12.144 -4.047 1.00 0.00 H new ATOM 325 N ALA A 26 -4.100 7.547 -3.681 1.00 0.00 N ATOM 326 CA ALA A 26 -3.902 6.194 -4.186 1.00 0.00 C ATOM 327 C ALA A 26 -5.234 5.473 -4.361 1.00 0.00 C ATOM 328 O ALA A 26 -6.127 5.586 -3.521 1.00 0.00 O ATOM 329 CB ALA A 26 -2.994 5.410 -3.250 1.00 0.00 C ATOM 0 H ALA A 26 -4.759 7.616 -2.906 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.425 6.263 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.854 4.401 -3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.027 5.908 -3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.449 5.358 -2.261 1.00 0.00 H new ATOM 335 N TYR A 27 -5.360 4.732 -5.456 1.00 0.00 N ATOM 336 CA TYR A 27 -6.585 3.995 -5.743 1.00 0.00 C ATOM 337 C TYR A 27 -6.340 2.922 -6.799 1.00 0.00 C ATOM 338 O TYR A 27 -5.305 2.913 -7.464 1.00 0.00 O ATOM 339 CB TYR A 27 -7.682 4.951 -6.216 1.00 0.00 C ATOM 340 CG TYR A 27 -7.449 5.501 -7.605 1.00 0.00 C ATOM 341 CD1 TYR A 27 -6.695 6.652 -7.799 1.00 0.00 C ATOM 342 CD2 TYR A 27 -7.982 4.870 -8.722 1.00 0.00 C ATOM 343 CE1 TYR A 27 -6.480 7.159 -9.066 1.00 0.00 C ATOM 344 CE2 TYR A 27 -7.770 5.369 -9.993 1.00 0.00 C ATOM 345 CZ TYR A 27 -7.019 6.513 -10.160 1.00 0.00 C ATOM 346 OH TYR A 27 -6.807 7.014 -11.424 1.00 0.00 O ATOM 0 H TYR A 27 -4.629 4.626 -6.159 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.909 3.507 -4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.639 4.430 -6.197 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.756 5.781 -5.514 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.270 7.159 -6.945 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.572 3.974 -8.595 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.893 8.056 -9.200 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.190 4.866 -10.851 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.253 6.441 -12.082 1.00 0.00 H new ATOM 356 N GLY A 28 -7.303 2.017 -6.949 1.00 0.00 N ATOM 357 CA GLY A 28 -7.175 0.951 -7.926 1.00 0.00 C ATOM 358 C GLY A 28 -7.893 -0.314 -7.501 1.00 0.00 C ATOM 359 O GLY A 28 -8.947 -0.257 -6.867 1.00 0.00 O ATOM 0 H GLY A 28 -8.170 2.003 -6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.575 1.289 -8.882 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.119 0.731 -8.083 1.00 0.00 H new ATOM 363 N THR A 29 -7.323 -1.463 -7.852 1.00 0.00 N ATOM 364 CA THR A 29 -7.916 -2.748 -7.506 1.00 0.00 C ATOM 365 C THR A 29 -7.010 -3.538 -6.568 1.00 0.00 C ATOM 366 O THR A 29 -7.394 -4.588 -6.057 1.00 0.00 O ATOM 367 CB THR A 29 -8.198 -3.593 -8.762 1.00 0.00 C ATOM 368 OG1 THR A 29 -8.955 -2.829 -9.707 1.00 0.00 O ATOM 369 CG2 THR A 29 -8.958 -4.861 -8.402 1.00 0.00 C ATOM 0 H THR A 29 -6.451 -1.529 -8.376 1.00 0.00 H new ATOM 0 HA THR A 29 -8.858 -2.535 -7.001 1.00 0.00 H new ATOM 0 HB THR A 29 -7.243 -3.874 -9.205 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.129 -3.373 -10.503 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.146 -5.442 -9.305 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.366 -5.455 -7.706 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.908 -4.596 -7.937 1.00 0.00 H new ATOM 377 N GLY A 30 -5.803 -3.024 -6.347 1.00 0.00 N ATOM 378 CA GLY A 30 -4.861 -3.695 -5.470 1.00 0.00 C ATOM 379 C GLY A 30 -5.149 -3.438 -4.004 1.00 0.00 C ATOM 380 O GLY A 30 -4.946 -4.313 -3.161 1.00 0.00 O ATOM 0 H GLY A 30 -5.461 -2.156 -6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.893 -4.768 -5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.850 -3.360 -5.703 1.00 0.00 H new ATOM 384 N LEU A 31 -5.622 -2.235 -3.698 1.00 0.00 N ATOM 385 CA LEU A 31 -5.937 -1.864 -2.323 1.00 0.00 C ATOM 386 C LEU A 31 -7.268 -2.469 -1.887 1.00 0.00 C ATOM 387 O LEU A 31 -7.483 -2.731 -0.704 1.00 0.00 O ATOM 388 CB LEU A 31 -5.985 -0.341 -2.183 1.00 0.00 C ATOM 389 CG LEU A 31 -4.716 0.410 -2.586 1.00 0.00 C ATOM 390 CD1 LEU A 31 -5.001 1.897 -2.735 1.00 0.00 C ATOM 391 CD2 LEU A 31 -3.611 0.177 -1.567 1.00 0.00 C ATOM 0 H LEU A 31 -5.796 -1.500 -4.383 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.152 -2.257 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.812 0.033 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.213 -0.099 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.380 0.026 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.086 2.416 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.760 2.047 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.361 2.295 -1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.716 0.719 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.937 0.533 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.388 -0.888 -1.510 1.00 0.00 H new ATOM 403 N GLU A 32 -8.156 -2.688 -2.851 1.00 0.00 N ATOM 404 CA GLU A 32 -9.465 -3.264 -2.566 1.00 0.00 C ATOM 405 C GLU A 32 -9.330 -4.539 -1.739 1.00 0.00 C ATOM 406 O GLU A 32 -10.085 -4.762 -0.793 1.00 0.00 O ATOM 407 CB GLU A 32 -10.210 -3.563 -3.868 1.00 0.00 C ATOM 408 CG GLU A 32 -10.394 -2.345 -4.758 1.00 0.00 C ATOM 409 CD GLU A 32 -11.660 -1.575 -4.439 1.00 0.00 C ATOM 410 OE1 GLU A 32 -12.737 -1.978 -4.926 1.00 0.00 O ATOM 411 OE2 GLU A 32 -11.574 -0.570 -3.703 1.00 0.00 O ATOM 0 H GLU A 32 -7.993 -2.476 -3.835 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.036 -2.536 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.665 -4.328 -4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.189 -3.979 -3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.534 -1.685 -4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.419 -2.662 -5.801 1.00 0.00 H new ATOM 418 N GLY A 33 -8.363 -5.375 -2.105 1.00 0.00 N ATOM 419 CA GLY A 33 -8.147 -6.619 -1.389 1.00 0.00 C ATOM 420 C GLY A 33 -7.042 -7.456 -2.002 1.00 0.00 C ATOM 421 O GLY A 33 -6.532 -7.135 -3.074 1.00 0.00 O ATOM 0 H GLY A 33 -7.725 -5.213 -2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.898 -6.399 -0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.072 -7.195 -1.380 1.00 0.00 H new ATOM 425 N GLY A 34 -6.671 -8.535 -1.318 1.00 0.00 N ATOM 426 CA GLY A 34 -5.620 -9.403 -1.816 1.00 0.00 C ATOM 427 C GLY A 34 -6.167 -10.605 -2.562 1.00 0.00 C ATOM 428 O GLY A 34 -6.676 -11.546 -1.953 1.00 0.00 O ATOM 0 H GLY A 34 -7.079 -8.823 -0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.967 -8.835 -2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.009 -9.745 -0.981 1.00 0.00 H new ATOM 432 N THR A 35 -6.062 -10.574 -3.887 1.00 0.00 N ATOM 433 CA THR A 35 -6.552 -11.667 -4.718 1.00 0.00 C ATOM 434 C THR A 35 -5.417 -12.597 -5.128 1.00 0.00 C ATOM 435 O THR A 35 -4.591 -12.252 -5.974 1.00 0.00 O ATOM 436 CB THR A 35 -7.252 -11.140 -5.985 1.00 0.00 C ATOM 437 OG1 THR A 35 -6.672 -9.892 -6.382 1.00 0.00 O ATOM 438 CG2 THR A 35 -8.743 -10.958 -5.744 1.00 0.00 C ATOM 0 H THR A 35 -5.642 -9.804 -4.408 1.00 0.00 H new ATOM 0 HA THR A 35 -7.273 -12.221 -4.118 1.00 0.00 H new ATOM 0 HB THR A 35 -7.116 -11.873 -6.780 1.00 0.00 H new ATOM 0 HG1 THR A 35 -7.121 -9.564 -7.189 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.216 -10.585 -6.653 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.187 -11.915 -5.471 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.896 -10.243 -4.936 1.00 0.00 H new ATOM 446 N THR A 36 -5.381 -13.782 -4.525 1.00 0.00 N ATOM 447 CA THR A 36 -4.346 -14.763 -4.827 1.00 0.00 C ATOM 448 C THR A 36 -4.620 -15.460 -6.155 1.00 0.00 C ATOM 449 O THR A 36 -5.580 -16.219 -6.282 1.00 0.00 O ATOM 450 CB THR A 36 -4.236 -15.824 -3.716 1.00 0.00 C ATOM 451 OG1 THR A 36 -4.601 -15.252 -2.455 1.00 0.00 O ATOM 452 CG2 THR A 36 -2.822 -16.380 -3.637 1.00 0.00 C ATOM 0 H THR A 36 -6.057 -14.085 -3.824 1.00 0.00 H new ATOM 0 HA THR A 36 -3.404 -14.219 -4.893 1.00 0.00 H new ATOM 0 HB THR A 36 -4.917 -16.641 -3.955 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.530 -15.933 -1.754 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.769 -17.127 -2.845 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.558 -16.840 -4.589 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.125 -15.571 -3.420 1.00 0.00 H new ATOM 460 N GLY A 37 -3.771 -15.196 -7.143 1.00 0.00 N ATOM 461 CA GLY A 37 -3.939 -15.807 -8.449 1.00 0.00 C ATOM 462 C GLY A 37 -4.186 -14.784 -9.540 1.00 0.00 C ATOM 463 O GLY A 37 -3.931 -15.047 -10.716 1.00 0.00 O ATOM 0 H GLY A 37 -2.970 -14.570 -7.063 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.048 -16.386 -8.693 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.774 -16.506 -8.415 1.00 0.00 H new ATOM 467 N ILE A 38 -4.686 -13.616 -9.152 1.00 0.00 N ATOM 468 CA ILE A 38 -4.968 -12.551 -10.106 1.00 0.00 C ATOM 469 C ILE A 38 -3.969 -11.408 -9.965 1.00 0.00 C ATOM 470 O ILE A 38 -3.320 -11.262 -8.930 1.00 0.00 O ATOM 471 CB ILE A 38 -6.394 -11.997 -9.926 1.00 0.00 C ATOM 472 CG1 ILE A 38 -7.408 -13.142 -9.887 1.00 0.00 C ATOM 473 CG2 ILE A 38 -6.729 -11.024 -11.046 1.00 0.00 C ATOM 474 CD1 ILE A 38 -8.766 -12.729 -9.364 1.00 0.00 C ATOM 0 H ILE A 38 -4.904 -13.383 -8.183 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.879 -12.987 -11.101 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.443 -11.461 -8.978 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.523 -13.549 -10.892 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.015 -13.943 -9.261 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.740 -10.641 -10.905 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.022 -10.195 -11.031 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.666 -11.538 -12.005 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -9.434 -13.591 -9.364 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.664 -12.349 -8.347 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.180 -11.949 -10.003 1.00 0.00 H new ATOM 486 N GLN A 39 -3.853 -10.598 -11.013 1.00 0.00 N ATOM 487 CA GLN A 39 -2.934 -9.466 -11.005 1.00 0.00 C ATOM 488 C GLN A 39 -3.693 -8.149 -10.881 1.00 0.00 C ATOM 489 O GLN A 39 -4.632 -7.889 -11.633 1.00 0.00 O ATOM 490 CB GLN A 39 -2.086 -9.462 -12.278 1.00 0.00 C ATOM 491 CG GLN A 39 -1.444 -8.117 -12.577 1.00 0.00 C ATOM 492 CD GLN A 39 -0.560 -8.153 -13.808 1.00 0.00 C ATOM 493 OE1 GLN A 39 -0.934 -7.654 -14.870 1.00 0.00 O ATOM 494 NE2 GLN A 39 0.621 -8.745 -13.672 1.00 0.00 N ATOM 0 H GLN A 39 -4.384 -10.705 -11.878 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.278 -9.569 -10.140 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.304 -10.216 -12.186 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.711 -9.752 -13.122 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.225 -7.369 -12.717 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.851 -7.803 -11.718 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.890 -9.145 -12.773 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.259 -8.799 -14.466 1.00 0.00 H new ATOM 503 N SER A 40 -3.280 -7.321 -9.926 1.00 0.00 N ATOM 504 CA SER A 40 -3.924 -6.033 -9.701 1.00 0.00 C ATOM 505 C SER A 40 -2.917 -4.893 -9.824 1.00 0.00 C ATOM 506 O SER A 40 -1.707 -5.113 -9.778 1.00 0.00 O ATOM 507 CB SER A 40 -4.581 -6.001 -8.319 1.00 0.00 C ATOM 508 OG SER A 40 -5.487 -7.079 -8.161 1.00 0.00 O ATOM 0 H SER A 40 -2.503 -7.520 -9.296 1.00 0.00 H new ATOM 0 HA SER A 40 -4.692 -5.901 -10.463 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.814 -6.050 -7.547 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.108 -5.056 -8.185 1.00 0.00 H new ATOM 0 HG SER A 40 -5.892 -7.038 -7.270 1.00 0.00 H new ATOM 514 N GLU A 41 -3.426 -3.675 -9.980 1.00 0.00 N ATOM 515 CA GLU A 41 -2.571 -2.501 -10.110 1.00 0.00 C ATOM 516 C GLU A 41 -3.283 -1.251 -9.603 1.00 0.00 C ATOM 517 O GLU A 41 -4.460 -1.032 -9.892 1.00 0.00 O ATOM 518 CB GLU A 41 -2.153 -2.307 -11.569 1.00 0.00 C ATOM 519 CG GLU A 41 -3.178 -1.553 -12.401 1.00 0.00 C ATOM 520 CD GLU A 41 -2.971 -1.739 -13.891 1.00 0.00 C ATOM 521 OE1 GLU A 41 -2.331 -2.737 -14.282 1.00 0.00 O ATOM 522 OE2 GLU A 41 -3.449 -0.885 -14.667 1.00 0.00 O ATOM 0 H GLU A 41 -4.426 -3.476 -10.019 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.680 -2.662 -9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.206 -1.768 -11.598 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.978 -3.283 -12.021 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.179 -1.892 -12.132 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.125 -0.491 -12.161 1.00 0.00 H new ATOM 529 N PHE A 42 -2.561 -0.433 -8.844 1.00 0.00 N ATOM 530 CA PHE A 42 -3.123 0.795 -8.294 1.00 0.00 C ATOM 531 C PHE A 42 -2.297 2.007 -8.714 1.00 0.00 C ATOM 532 O PHE A 42 -1.068 1.988 -8.648 1.00 0.00 O ATOM 533 CB PHE A 42 -3.188 0.713 -6.767 1.00 0.00 C ATOM 534 CG PHE A 42 -1.839 0.746 -6.107 1.00 0.00 C ATOM 535 CD1 PHE A 42 -1.236 1.954 -5.795 1.00 0.00 C ATOM 536 CD2 PHE A 42 -1.174 -0.430 -5.801 1.00 0.00 C ATOM 537 CE1 PHE A 42 0.005 1.988 -5.187 1.00 0.00 C ATOM 538 CE2 PHE A 42 0.067 -0.401 -5.193 1.00 0.00 C ATOM 539 CZ PHE A 42 0.658 0.809 -4.887 1.00 0.00 C ATOM 0 H PHE A 42 -1.586 -0.598 -8.596 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.133 0.911 -8.688 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.788 1.542 -6.392 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.701 -0.206 -6.482 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.741 2.879 -6.029 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.630 -1.379 -6.040 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.463 2.936 -4.947 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.574 -1.325 -4.957 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.629 0.833 -4.414 1.00 0.00 H new ATOM 549 N PHE A 43 -2.982 3.060 -9.148 1.00 0.00 N ATOM 550 CA PHE A 43 -2.313 4.281 -9.582 1.00 0.00 C ATOM 551 C PHE A 43 -2.214 5.284 -8.435 1.00 0.00 C ATOM 552 O PHE A 43 -2.988 5.227 -7.479 1.00 0.00 O ATOM 553 CB PHE A 43 -3.062 4.908 -10.759 1.00 0.00 C ATOM 554 CG PHE A 43 -3.043 4.063 -12.000 1.00 0.00 C ATOM 555 CD1 PHE A 43 -1.850 3.790 -12.650 1.00 0.00 C ATOM 556 CD2 PHE A 43 -4.218 3.542 -12.518 1.00 0.00 C ATOM 557 CE1 PHE A 43 -1.828 3.012 -13.792 1.00 0.00 C ATOM 558 CE2 PHE A 43 -4.203 2.763 -13.660 1.00 0.00 C ATOM 559 CZ PHE A 43 -3.007 2.499 -14.298 1.00 0.00 C ATOM 0 H PHE A 43 -4.000 3.092 -9.208 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.304 4.019 -9.901 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.097 5.087 -10.467 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.621 5.879 -10.984 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.926 4.190 -12.259 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.156 3.747 -12.024 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.891 2.805 -14.288 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.125 2.361 -14.053 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.993 1.892 -15.191 1.00 0.00 H new ATOM 569 N ILE A 44 -1.257 6.199 -8.539 1.00 0.00 N ATOM 570 CA ILE A 44 -1.057 7.214 -7.512 1.00 0.00 C ATOM 571 C ILE A 44 -1.142 8.617 -8.102 1.00 0.00 C ATOM 572 O ILE A 44 -0.204 9.090 -8.743 1.00 0.00 O ATOM 573 CB ILE A 44 0.305 7.045 -6.811 1.00 0.00 C ATOM 574 CG1 ILE A 44 0.467 5.612 -6.302 1.00 0.00 C ATOM 575 CG2 ILE A 44 0.437 8.038 -5.666 1.00 0.00 C ATOM 576 CD1 ILE A 44 1.904 5.228 -6.025 1.00 0.00 C ATOM 0 H ILE A 44 -0.608 6.259 -9.324 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.853 7.082 -6.779 1.00 0.00 H new ATOM 0 HB ILE A 44 1.097 7.245 -7.533 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.115 5.491 -5.389 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.051 4.924 -7.038 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.404 7.907 -5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.361 9.054 -6.055 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.359 7.866 -4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.943 4.199 -5.667 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.487 5.316 -6.942 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.318 5.892 -5.266 1.00 0.00 H new ATOM 588 N ASN A 45 -2.272 9.280 -7.879 1.00 0.00 N ATOM 589 CA ASN A 45 -2.480 10.631 -8.387 1.00 0.00 C ATOM 590 C ASN A 45 -1.480 11.604 -7.770 1.00 0.00 C ATOM 591 O ASN A 45 -1.764 12.244 -6.756 1.00 0.00 O ATOM 592 CB ASN A 45 -3.908 11.095 -8.094 1.00 0.00 C ATOM 593 CG ASN A 45 -4.417 12.085 -9.124 1.00 0.00 C ATOM 594 OD1 ASN A 45 -3.994 13.240 -9.153 1.00 0.00 O ATOM 595 ND2 ASN A 45 -5.331 11.635 -9.976 1.00 0.00 N ATOM 0 H ASN A 45 -3.058 8.903 -7.349 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.325 10.614 -9.466 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.570 10.230 -8.068 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.943 11.553 -7.106 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.711 12.255 -10.691 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.653 10.669 -9.915 1.00 0.00 H new ATOM 602 N THR A 46 -0.308 11.712 -8.388 1.00 0.00 N ATOM 603 CA THR A 46 0.734 12.606 -7.900 1.00 0.00 C ATOM 604 C THR A 46 1.033 13.707 -8.912 1.00 0.00 C ATOM 605 O THR A 46 2.169 14.165 -9.030 1.00 0.00 O ATOM 606 CB THR A 46 2.034 11.839 -7.594 1.00 0.00 C ATOM 607 OG1 THR A 46 2.987 12.715 -6.981 1.00 0.00 O ATOM 608 CG2 THR A 46 2.625 11.248 -8.865 1.00 0.00 C ATOM 0 H THR A 46 -0.057 11.191 -9.228 1.00 0.00 H new ATOM 0 HA THR A 46 0.360 13.054 -6.980 1.00 0.00 H new ATOM 0 HB THR A 46 1.797 11.025 -6.909 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.111 13.508 -7.543 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.542 10.711 -8.624 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.909 10.560 -9.313 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.848 12.049 -9.569 1.00 0.00 H new ATOM 616 N THR A 47 0.004 14.128 -9.642 1.00 0.00 N ATOM 617 CA THR A 47 0.157 15.175 -10.645 1.00 0.00 C ATOM 618 C THR A 47 0.064 16.559 -10.013 1.00 0.00 C ATOM 619 O THR A 47 0.451 17.557 -10.622 1.00 0.00 O ATOM 620 CB THR A 47 -0.910 15.054 -11.749 1.00 0.00 C ATOM 621 OG1 THR A 47 -2.219 15.183 -11.182 1.00 0.00 O ATOM 622 CG2 THR A 47 -0.794 13.721 -12.471 1.00 0.00 C ATOM 0 H THR A 47 -0.944 13.760 -9.557 1.00 0.00 H new ATOM 0 HA THR A 47 1.144 15.047 -11.089 1.00 0.00 H new ATOM 0 HB THR A 47 -0.746 15.855 -12.470 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.891 15.106 -11.891 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.558 13.659 -13.246 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.193 13.639 -12.927 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.933 12.908 -11.759 1.00 0.00 H new ATOM 630 N ARG A 48 -0.450 16.612 -8.789 1.00 0.00 N ATOM 631 CA ARG A 48 -0.593 17.875 -8.075 1.00 0.00 C ATOM 632 C ARG A 48 0.576 18.096 -7.119 1.00 0.00 C ATOM 633 O ARG A 48 0.963 19.232 -6.848 1.00 0.00 O ATOM 634 CB ARG A 48 -1.911 17.900 -7.299 1.00 0.00 C ATOM 635 CG ARG A 48 -3.117 18.248 -8.157 1.00 0.00 C ATOM 636 CD ARG A 48 -3.136 19.725 -8.518 1.00 0.00 C ATOM 637 NE ARG A 48 -4.038 20.004 -9.632 1.00 0.00 N ATOM 638 CZ ARG A 48 -3.735 19.758 -10.902 1.00 0.00 C ATOM 639 NH1 ARG A 48 -2.560 19.231 -11.217 1.00 0.00 N ATOM 640 NH2 ARG A 48 -4.608 20.040 -11.860 1.00 0.00 N ATOM 0 H ARG A 48 -0.774 15.795 -8.271 1.00 0.00 H new ATOM 0 HA ARG A 48 -0.596 18.680 -8.810 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.071 16.924 -6.841 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.832 18.624 -6.488 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.102 17.650 -9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.032 17.991 -7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.443 20.307 -7.649 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.128 20.048 -8.778 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.950 20.410 -9.424 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.886 19.013 -10.483 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.330 19.043 -12.193 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.513 20.446 -11.622 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.374 19.851 -12.835 1.00 0.00 H new ATOM 654 N ALA A 49 1.134 17.001 -6.612 1.00 0.00 N ATOM 655 CA ALA A 49 2.259 17.074 -5.689 1.00 0.00 C ATOM 656 C ALA A 49 3.559 17.367 -6.430 1.00 0.00 C ATOM 657 O ALA A 49 4.295 18.286 -6.073 1.00 0.00 O ATOM 658 CB ALA A 49 2.379 15.779 -4.899 1.00 0.00 C ATOM 0 H ALA A 49 0.825 16.053 -6.825 1.00 0.00 H new ATOM 0 HA ALA A 49 2.075 17.894 -4.995 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.224 15.848 -4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.463 15.613 -4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.536 14.947 -5.586 1.00 0.00 H new ATOM 664 N GLY A 50 3.836 16.578 -7.464 1.00 0.00 N ATOM 665 CA GLY A 50 5.048 16.769 -8.238 1.00 0.00 C ATOM 666 C GLY A 50 6.015 15.610 -8.097 1.00 0.00 C ATOM 667 O GLY A 50 6.095 14.965 -7.051 1.00 0.00 O ATOM 0 H GLY A 50 3.243 15.810 -7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.788 16.895 -9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.539 17.688 -7.918 1.00 0.00 H new ATOM 671 N PRO A 51 6.770 15.329 -9.169 1.00 0.00 N ATOM 672 CA PRO A 51 7.749 14.238 -9.185 1.00 0.00 C ATOM 673 C PRO A 51 8.951 14.524 -8.292 1.00 0.00 C ATOM 674 O PRO A 51 9.552 15.595 -8.368 1.00 0.00 O ATOM 675 CB PRO A 51 8.178 14.167 -10.653 1.00 0.00 C ATOM 676 CG PRO A 51 7.930 15.536 -11.186 1.00 0.00 C ATOM 677 CD PRO A 51 6.727 16.056 -10.449 1.00 0.00 C ATOM 0 HA PRO A 51 7.328 13.307 -8.804 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.228 13.890 -10.746 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.602 13.419 -11.198 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.795 16.180 -11.025 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.748 15.509 -12.260 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.782 17.134 -10.301 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.804 15.856 -10.994 1.00 0.00 H new ATOM 685 N GLY A 52 9.296 13.560 -7.444 1.00 0.00 N ATOM 686 CA GLY A 52 10.425 13.728 -6.549 1.00 0.00 C ATOM 687 C GLY A 52 10.843 12.428 -5.891 1.00 0.00 C ATOM 688 O GLY A 52 11.153 11.450 -6.572 1.00 0.00 O ATOM 0 H GLY A 52 8.813 12.665 -7.361 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.268 14.137 -7.106 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.169 14.455 -5.779 1.00 0.00 H new ATOM 692 N THR A 53 10.853 12.415 -4.562 1.00 0.00 N ATOM 693 CA THR A 53 11.239 11.226 -3.812 1.00 0.00 C ATOM 694 C THR A 53 10.128 10.182 -3.827 1.00 0.00 C ATOM 695 O THR A 53 8.984 10.473 -3.475 1.00 0.00 O ATOM 696 CB THR A 53 11.583 11.571 -2.351 1.00 0.00 C ATOM 697 OG1 THR A 53 10.492 12.271 -1.742 1.00 0.00 O ATOM 698 CG2 THR A 53 12.842 12.423 -2.278 1.00 0.00 C ATOM 0 H THR A 53 10.598 13.215 -3.982 1.00 0.00 H new ATOM 0 HA THR A 53 12.124 10.818 -4.300 1.00 0.00 H new ATOM 0 HB THR A 53 11.761 10.639 -1.814 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.645 11.875 -2.036 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.065 12.654 -1.236 1.00 0.00 H new ATOM 0 HG22 THR A 53 13.677 11.876 -2.715 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.687 13.350 -2.830 1.00 0.00 H new ATOM 706 N LEU A 54 10.472 8.966 -4.236 1.00 0.00 N ATOM 707 CA LEU A 54 9.503 7.877 -4.297 1.00 0.00 C ATOM 708 C LEU A 54 9.812 6.814 -3.248 1.00 0.00 C ATOM 709 O LEU A 54 10.822 6.115 -3.337 1.00 0.00 O ATOM 710 CB LEU A 54 9.500 7.248 -5.691 1.00 0.00 C ATOM 711 CG LEU A 54 8.192 6.585 -6.125 1.00 0.00 C ATOM 712 CD1 LEU A 54 8.235 6.238 -7.605 1.00 0.00 C ATOM 713 CD2 LEU A 54 7.923 5.340 -5.292 1.00 0.00 C ATOM 0 H LEU A 54 11.414 8.709 -4.530 1.00 0.00 H new ATOM 0 HA LEU A 54 8.516 8.290 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.751 8.021 -6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.294 6.502 -5.733 1.00 0.00 H new ATOM 0 HG LEU A 54 7.378 7.291 -5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.296 5.767 -7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.381 7.147 -8.188 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.059 5.550 -7.794 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.988 4.881 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.740 4.630 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.848 5.615 -4.240 1.00 0.00 H new ATOM 725 N SER A 55 8.936 6.696 -2.256 1.00 0.00 N ATOM 726 CA SER A 55 9.116 5.719 -1.189 1.00 0.00 C ATOM 727 C SER A 55 7.942 4.746 -1.138 1.00 0.00 C ATOM 728 O SER A 55 6.799 5.146 -0.915 1.00 0.00 O ATOM 729 CB SER A 55 9.265 6.427 0.160 1.00 0.00 C ATOM 730 OG SER A 55 10.426 7.238 0.184 1.00 0.00 O ATOM 0 H SER A 55 8.094 7.265 -2.169 1.00 0.00 H new ATOM 0 HA SER A 55 10.024 5.154 -1.398 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.385 7.041 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.318 5.687 0.959 1.00 0.00 H new ATOM 0 HG SER A 55 10.498 7.681 1.055 1.00 0.00 H new ATOM 736 N VAL A 56 8.232 3.466 -1.348 1.00 0.00 N ATOM 737 CA VAL A 56 7.202 2.435 -1.327 1.00 0.00 C ATOM 738 C VAL A 56 7.719 1.155 -0.681 1.00 0.00 C ATOM 739 O VAL A 56 8.864 0.755 -0.898 1.00 0.00 O ATOM 740 CB VAL A 56 6.699 2.114 -2.746 1.00 0.00 C ATOM 741 CG1 VAL A 56 7.858 1.711 -3.645 1.00 0.00 C ATOM 742 CG2 VAL A 56 5.642 1.020 -2.702 1.00 0.00 C ATOM 0 H VAL A 56 9.173 3.118 -1.535 1.00 0.00 H new ATOM 0 HA VAL A 56 6.374 2.828 -0.737 1.00 0.00 H new ATOM 0 HB VAL A 56 6.243 3.012 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.483 1.488 -4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.576 2.529 -3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.346 0.827 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.298 0.806 -3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.070 0.118 -2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.800 1.352 -2.095 1.00 0.00 H new ATOM 752 N THR A 57 6.869 0.513 0.115 1.00 0.00 N ATOM 753 CA THR A 57 7.240 -0.722 0.793 1.00 0.00 C ATOM 754 C THR A 57 6.024 -1.616 1.011 1.00 0.00 C ATOM 755 O THR A 57 4.903 -1.129 1.163 1.00 0.00 O ATOM 756 CB THR A 57 7.905 -0.438 2.153 1.00 0.00 C ATOM 757 OG1 THR A 57 9.057 0.393 1.971 1.00 0.00 O ATOM 758 CG2 THR A 57 8.312 -1.734 2.837 1.00 0.00 C ATOM 0 H THR A 57 5.918 0.829 0.306 1.00 0.00 H new ATOM 0 HA THR A 57 7.954 -1.235 0.148 1.00 0.00 H new ATOM 0 HB THR A 57 7.182 0.077 2.786 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.473 0.570 2.840 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.779 -1.508 3.795 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.429 -2.352 3.000 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.020 -2.272 2.206 1.00 0.00 H new ATOM 766 N ILE A 58 6.253 -2.924 1.028 1.00 0.00 N ATOM 767 CA ILE A 58 5.176 -3.885 1.230 1.00 0.00 C ATOM 768 C ILE A 58 5.613 -5.014 2.158 1.00 0.00 C ATOM 769 O ILE A 58 6.762 -5.451 2.120 1.00 0.00 O ATOM 770 CB ILE A 58 4.702 -4.489 -0.106 1.00 0.00 C ATOM 771 CG1 ILE A 58 4.232 -3.382 -1.052 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.588 -5.497 0.135 1.00 0.00 C ATOM 773 CD1 ILE A 58 4.300 -3.768 -2.513 1.00 0.00 C ATOM 0 H ILE A 58 7.175 -3.343 0.904 1.00 0.00 H new ATOM 0 HA ILE A 58 4.350 -3.341 1.687 1.00 0.00 H new ATOM 0 HB ILE A 58 5.540 -5.008 -0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.205 -3.113 -0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.842 -2.493 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.263 -5.915 -0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.955 -6.298 0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.747 -5.001 0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.952 -2.936 -3.126 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.330 -4.008 -2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.667 -4.638 -2.689 1.00 0.00 H new ATOM 785 N GLU A 59 4.687 -5.481 2.989 1.00 0.00 N ATOM 786 CA GLU A 59 4.977 -6.559 3.927 1.00 0.00 C ATOM 787 C GLU A 59 3.937 -7.671 3.816 1.00 0.00 C ATOM 788 O GLU A 59 2.863 -7.477 3.249 1.00 0.00 O ATOM 789 CB GLU A 59 5.015 -6.023 5.359 1.00 0.00 C ATOM 790 CG GLU A 59 6.309 -5.306 5.706 1.00 0.00 C ATOM 791 CD GLU A 59 6.444 -5.031 7.191 1.00 0.00 C ATOM 792 OE1 GLU A 59 6.918 -5.928 7.919 1.00 0.00 O ATOM 793 OE2 GLU A 59 6.076 -3.920 7.625 1.00 0.00 O ATOM 0 H GLU A 59 3.730 -5.130 3.032 1.00 0.00 H new ATOM 0 HA GLU A 59 5.954 -6.972 3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.180 -5.338 5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.871 -6.852 6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.154 -5.909 5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.355 -4.364 5.160 1.00 0.00 H new ATOM 800 N GLY A 60 4.266 -8.838 4.361 1.00 0.00 N ATOM 801 CA GLY A 60 3.352 -9.964 4.313 1.00 0.00 C ATOM 802 C GLY A 60 4.034 -11.279 4.635 1.00 0.00 C ATOM 803 O GLY A 60 5.247 -11.341 4.837 1.00 0.00 O ATOM 0 H GLY A 60 5.150 -9.024 4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.538 -9.798 5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.905 -10.023 3.320 1.00 0.00 H new ATOM 807 N PRO A 61 3.244 -12.362 4.688 1.00 0.00 N ATOM 808 CA PRO A 61 3.758 -13.702 4.988 1.00 0.00 C ATOM 809 C PRO A 61 4.615 -14.261 3.858 1.00 0.00 C ATOM 810 O PRO A 61 5.574 -14.994 4.098 1.00 0.00 O ATOM 811 CB PRO A 61 2.487 -14.538 5.160 1.00 0.00 C ATOM 812 CG PRO A 61 1.453 -13.824 4.359 1.00 0.00 C ATOM 813 CD PRO A 61 1.790 -12.362 4.457 1.00 0.00 C ATOM 0 HA PRO A 61 4.408 -13.703 5.863 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.632 -15.557 4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.198 -14.607 6.209 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.464 -14.158 3.322 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.454 -14.021 4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.528 -11.827 3.544 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.253 -11.880 5.274 1.00 0.00 H new ATOM 821 N SER A 62 4.263 -13.910 2.625 1.00 0.00 N ATOM 822 CA SER A 62 4.999 -14.380 1.457 1.00 0.00 C ATOM 823 C SER A 62 5.490 -13.206 0.616 1.00 0.00 C ATOM 824 O SER A 62 4.706 -12.542 -0.062 1.00 0.00 O ATOM 825 CB SER A 62 4.118 -15.298 0.608 1.00 0.00 C ATOM 826 OG SER A 62 4.071 -16.606 1.151 1.00 0.00 O ATOM 0 H SER A 62 3.473 -13.302 2.409 1.00 0.00 H new ATOM 0 HA SER A 62 5.866 -14.942 1.806 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.110 -14.888 0.551 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.504 -15.338 -0.411 1.00 0.00 H new ATOM 0 HG SER A 62 3.513 -17.177 0.582 1.00 0.00 H new ATOM 832 N LYS A 63 6.794 -12.956 0.664 1.00 0.00 N ATOM 833 CA LYS A 63 7.393 -11.863 -0.094 1.00 0.00 C ATOM 834 C LYS A 63 6.841 -11.821 -1.515 1.00 0.00 C ATOM 835 O LYS A 63 6.941 -12.797 -2.260 1.00 0.00 O ATOM 836 CB LYS A 63 8.915 -12.015 -0.130 1.00 0.00 C ATOM 837 CG LYS A 63 9.615 -11.419 1.079 1.00 0.00 C ATOM 838 CD LYS A 63 9.489 -12.320 2.296 1.00 0.00 C ATOM 839 CE LYS A 63 10.353 -11.827 3.447 1.00 0.00 C ATOM 840 NZ LYS A 63 11.736 -12.373 3.376 1.00 0.00 N ATOM 0 H LYS A 63 7.457 -13.496 1.220 1.00 0.00 H new ATOM 0 HA LYS A 63 7.140 -10.927 0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.164 -13.074 -0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.298 -11.539 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.669 -11.261 0.849 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.188 -10.442 1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.447 -12.361 2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.781 -13.336 2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.391 -10.738 3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.897 -12.116 4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.293 -12.014 4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.702 -13.412 3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.181 -12.076 2.484 1.00 0.00 H new ATOM 854 N VAL A 64 6.261 -10.684 -1.887 1.00 0.00 N ATOM 855 CA VAL A 64 5.696 -10.514 -3.220 1.00 0.00 C ATOM 856 C VAL A 64 6.650 -9.745 -4.127 1.00 0.00 C ATOM 857 O VAL A 64 7.061 -8.628 -3.810 1.00 0.00 O ATOM 858 CB VAL A 64 4.346 -9.774 -3.167 1.00 0.00 C ATOM 859 CG1 VAL A 64 3.369 -10.508 -2.261 1.00 0.00 C ATOM 860 CG2 VAL A 64 4.543 -8.340 -2.702 1.00 0.00 C ATOM 0 H VAL A 64 6.170 -9.867 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 64 5.538 -11.513 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 64 3.924 -9.751 -4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.421 -9.970 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.205 -11.515 -2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.780 -10.565 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.579 -7.832 -2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.987 -8.338 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.204 -7.820 -3.395 1.00 0.00 H new ATOM 870 N LYS A 65 6.998 -10.349 -5.258 1.00 0.00 N ATOM 871 CA LYS A 65 7.903 -9.721 -6.214 1.00 0.00 C ATOM 872 C LYS A 65 7.140 -8.799 -7.159 1.00 0.00 C ATOM 873 O LYS A 65 6.522 -9.254 -8.121 1.00 0.00 O ATOM 874 CB LYS A 65 8.650 -10.788 -7.017 1.00 0.00 C ATOM 875 CG LYS A 65 10.019 -10.340 -7.497 1.00 0.00 C ATOM 876 CD LYS A 65 9.917 -9.467 -8.736 1.00 0.00 C ATOM 877 CE LYS A 65 11.206 -8.698 -8.984 1.00 0.00 C ATOM 878 NZ LYS A 65 11.042 -7.666 -10.044 1.00 0.00 N ATOM 0 H LYS A 65 6.667 -11.273 -5.535 1.00 0.00 H new ATOM 0 HA LYS A 65 8.625 -9.124 -5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.764 -11.680 -6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.046 -11.071 -7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.522 -9.788 -6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.633 -11.214 -7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.690 -10.088 -9.602 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.090 -8.766 -8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.527 -8.220 -8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.994 -9.394 -9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.943 -7.165 -10.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.760 -8.124 -10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.308 -6.987 -9.757 1.00 0.00 H new ATOM 892 N MET A 66 7.190 -7.500 -6.880 1.00 0.00 N ATOM 893 CA MET A 66 6.506 -6.514 -7.709 1.00 0.00 C ATOM 894 C MET A 66 7.492 -5.489 -8.260 1.00 0.00 C ATOM 895 O MET A 66 8.685 -5.538 -7.961 1.00 0.00 O ATOM 896 CB MET A 66 5.416 -5.807 -6.902 1.00 0.00 C ATOM 897 CG MET A 66 5.923 -5.182 -5.612 1.00 0.00 C ATOM 898 SD MET A 66 6.463 -3.476 -5.833 1.00 0.00 S ATOM 899 CE MET A 66 8.226 -3.704 -6.045 1.00 0.00 C ATOM 0 H MET A 66 7.697 -7.106 -6.087 1.00 0.00 H new ATOM 0 HA MET A 66 6.046 -7.037 -8.548 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.964 -5.030 -7.519 1.00 0.00 H new ATOM 0 HB3 MET A 66 4.629 -6.523 -6.664 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.133 -5.215 -4.862 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.753 -5.775 -5.227 1.00 0.00 H new ATOM 0 HE1 MET A 66 8.757 -3.210 -5.231 1.00 0.00 H new ATOM 0 HE2 MET A 66 8.459 -4.769 -6.037 1.00 0.00 H new ATOM 0 HE3 MET A 66 8.537 -3.272 -6.996 1.00 0.00 H new ATOM 909 N ASP A 67 6.986 -4.563 -9.067 1.00 0.00 N ATOM 910 CA ASP A 67 7.823 -3.525 -9.659 1.00 0.00 C ATOM 911 C ASP A 67 7.100 -2.182 -9.664 1.00 0.00 C ATOM 912 O ASP A 67 5.968 -2.073 -9.191 1.00 0.00 O ATOM 913 CB ASP A 67 8.216 -3.911 -11.086 1.00 0.00 C ATOM 914 CG ASP A 67 7.015 -4.053 -12.000 1.00 0.00 C ATOM 915 OD1 ASP A 67 6.470 -3.015 -12.427 1.00 0.00 O ATOM 916 OD2 ASP A 67 6.620 -5.203 -12.287 1.00 0.00 O ATOM 0 H ASP A 67 6.001 -4.510 -9.326 1.00 0.00 H new ATOM 0 HA ASP A 67 8.725 -3.430 -9.054 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.890 -3.156 -11.491 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.767 -4.851 -11.066 1.00 0.00 H new ATOM 921 N CYS A 68 7.763 -1.162 -10.198 1.00 0.00 N ATOM 922 CA CYS A 68 7.185 0.176 -10.262 1.00 0.00 C ATOM 923 C CYS A 68 7.241 0.725 -11.684 1.00 0.00 C ATOM 924 O CYS A 68 8.192 1.412 -12.057 1.00 0.00 O ATOM 925 CB CYS A 68 7.921 1.118 -9.309 1.00 0.00 C ATOM 926 SG CYS A 68 7.305 1.079 -7.610 1.00 0.00 S ATOM 0 H CYS A 68 8.701 -1.236 -10.593 1.00 0.00 H new ATOM 0 HA CYS A 68 6.140 0.109 -9.959 1.00 0.00 H new ATOM 0 HB2 CYS A 68 8.980 0.860 -9.306 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.842 2.136 -9.689 1.00 0.00 H new ATOM 0 HG CYS A 68 7.992 1.907 -6.880 1.00 0.00 H new ATOM 932 N GLN A 69 6.217 0.416 -12.473 1.00 0.00 N ATOM 933 CA GLN A 69 6.152 0.877 -13.855 1.00 0.00 C ATOM 934 C GLN A 69 5.933 2.385 -13.916 1.00 0.00 C ATOM 935 O GLN A 69 5.317 2.968 -13.025 1.00 0.00 O ATOM 936 CB GLN A 69 5.029 0.156 -14.603 1.00 0.00 C ATOM 937 CG GLN A 69 5.137 0.265 -16.115 1.00 0.00 C ATOM 938 CD GLN A 69 6.430 -0.317 -16.651 1.00 0.00 C ATOM 939 OE1 GLN A 69 7.013 -1.221 -16.052 1.00 0.00 O ATOM 940 NE2 GLN A 69 6.886 0.199 -17.787 1.00 0.00 N ATOM 0 H GLN A 69 5.422 -0.151 -12.179 1.00 0.00 H new ATOM 0 HA GLN A 69 7.104 0.647 -14.333 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.034 -0.897 -14.322 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.070 0.566 -14.285 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.293 -0.250 -16.574 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.067 1.313 -16.406 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.371 0.948 -18.250 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.751 -0.153 -18.196 1.00 0.00 H new ATOM 949 N GLU A 70 6.442 3.010 -14.973 1.00 0.00 N ATOM 950 CA GLU A 70 6.302 4.451 -15.149 1.00 0.00 C ATOM 951 C GLU A 70 5.058 4.781 -15.969 1.00 0.00 C ATOM 952 O GLU A 70 4.744 4.098 -16.944 1.00 0.00 O ATOM 953 CB GLU A 70 7.545 5.026 -15.832 1.00 0.00 C ATOM 954 CG GLU A 70 7.789 6.492 -15.515 1.00 0.00 C ATOM 955 CD GLU A 70 6.849 7.416 -16.265 1.00 0.00 C ATOM 956 OE1 GLU A 70 6.858 7.384 -17.514 1.00 0.00 O ATOM 957 OE2 GLU A 70 6.105 8.170 -15.605 1.00 0.00 O ATOM 0 H GLU A 70 6.955 2.541 -15.720 1.00 0.00 H new ATOM 0 HA GLU A 70 6.196 4.904 -14.163 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.417 4.447 -15.528 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.444 4.908 -16.911 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.672 6.652 -14.443 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.819 6.747 -15.765 1.00 0.00 H new ATOM 964 N THR A 71 4.353 5.833 -15.566 1.00 0.00 N ATOM 965 CA THR A 71 3.143 6.254 -16.261 1.00 0.00 C ATOM 966 C THR A 71 3.074 7.773 -16.374 1.00 0.00 C ATOM 967 O THR A 71 3.589 8.506 -15.530 1.00 0.00 O ATOM 968 CB THR A 71 1.878 5.746 -15.544 1.00 0.00 C ATOM 969 OG1 THR A 71 1.805 6.302 -14.227 1.00 0.00 O ATOM 970 CG2 THR A 71 1.877 4.227 -15.460 1.00 0.00 C ATOM 0 H THR A 71 4.599 6.409 -14.761 1.00 0.00 H new ATOM 0 HA THR A 71 3.185 5.820 -17.260 1.00 0.00 H new ATOM 0 HB THR A 71 1.008 6.063 -16.120 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.693 6.613 -13.954 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.974 3.891 -14.950 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.903 3.807 -16.465 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.753 3.893 -14.904 1.00 0.00 H new ATOM 978 N PRO A 72 2.422 8.258 -17.441 1.00 0.00 N ATOM 979 CA PRO A 72 2.269 9.695 -17.689 1.00 0.00 C ATOM 980 C PRO A 72 1.328 10.359 -16.689 1.00 0.00 C ATOM 981 O PRO A 72 1.124 11.571 -16.726 1.00 0.00 O ATOM 982 CB PRO A 72 1.676 9.751 -19.099 1.00 0.00 C ATOM 983 CG PRO A 72 0.980 8.445 -19.269 1.00 0.00 C ATOM 984 CD PRO A 72 1.783 7.442 -18.487 1.00 0.00 C ATOM 0 HA PRO A 72 3.214 10.229 -17.588 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.983 10.586 -19.204 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.454 9.886 -19.851 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.044 8.498 -18.900 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.926 8.166 -20.321 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.149 6.665 -18.059 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.521 6.942 -19.114 1.00 0.00 H new ATOM 992 N GLU A 73 0.759 9.555 -15.796 1.00 0.00 N ATOM 993 CA GLU A 73 -0.161 10.066 -14.786 1.00 0.00 C ATOM 994 C GLU A 73 0.479 10.036 -13.401 1.00 0.00 C ATOM 995 O GLU A 73 0.294 10.950 -12.599 1.00 0.00 O ATOM 996 CB GLU A 73 -1.454 9.248 -14.780 1.00 0.00 C ATOM 997 CG GLU A 73 -2.673 10.038 -14.335 1.00 0.00 C ATOM 998 CD GLU A 73 -3.966 9.480 -14.896 1.00 0.00 C ATOM 999 OE1 GLU A 73 -4.368 8.375 -14.476 1.00 0.00 O ATOM 1000 OE2 GLU A 73 -4.577 10.150 -15.755 1.00 0.00 O ATOM 0 H GLU A 73 0.919 8.549 -15.751 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.395 11.101 -15.037 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.631 8.857 -15.782 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.328 8.389 -14.121 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.724 10.038 -13.246 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.563 11.076 -14.649 1.00 0.00 H new ATOM 1007 N GLY A 74 1.234 8.975 -13.128 1.00 0.00 N ATOM 1008 CA GLY A 74 1.889 8.844 -11.840 1.00 0.00 C ATOM 1009 C GLY A 74 2.792 7.628 -11.770 1.00 0.00 C ATOM 1010 O GLY A 74 3.668 7.448 -12.616 1.00 0.00 O ATOM 0 H GLY A 74 1.403 8.205 -13.775 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.476 9.741 -11.641 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.134 8.778 -11.057 1.00 0.00 H new ATOM 1014 N TYR A 75 2.580 6.793 -10.759 1.00 0.00 N ATOM 1015 CA TYR A 75 3.384 5.590 -10.580 1.00 0.00 C ATOM 1016 C TYR A 75 2.496 4.363 -10.403 1.00 0.00 C ATOM 1017 O TYR A 75 1.719 4.275 -9.451 1.00 0.00 O ATOM 1018 CB TYR A 75 4.307 5.744 -9.370 1.00 0.00 C ATOM 1019 CG TYR A 75 5.092 7.037 -9.368 1.00 0.00 C ATOM 1020 CD1 TYR A 75 5.731 7.486 -10.517 1.00 0.00 C ATOM 1021 CD2 TYR A 75 5.195 7.808 -8.217 1.00 0.00 C ATOM 1022 CE1 TYR A 75 6.449 8.666 -10.520 1.00 0.00 C ATOM 1023 CE2 TYR A 75 5.910 8.990 -8.211 1.00 0.00 C ATOM 1024 CZ TYR A 75 6.535 9.415 -9.365 1.00 0.00 C ATOM 1025 OH TYR A 75 7.250 10.591 -9.363 1.00 0.00 O ATOM 0 H TYR A 75 1.858 6.927 -10.051 1.00 0.00 H new ATOM 0 HA TYR A 75 3.990 5.452 -11.476 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.711 5.689 -8.459 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.003 4.906 -9.346 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.665 6.902 -11.423 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.708 7.478 -7.311 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.940 9.000 -11.422 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.979 9.578 -7.308 1.00 0.00 H new ATOM 0 HH TYR A 75 7.210 10.997 -8.472 1.00 0.00 H new ATOM 1035 N LYS A 76 2.616 3.415 -11.326 1.00 0.00 N ATOM 1036 CA LYS A 76 1.827 2.190 -11.273 1.00 0.00 C ATOM 1037 C LYS A 76 2.619 1.060 -10.624 1.00 0.00 C ATOM 1038 O LYS A 76 3.795 0.859 -10.927 1.00 0.00 O ATOM 1039 CB LYS A 76 1.392 1.778 -12.682 1.00 0.00 C ATOM 1040 CG LYS A 76 0.383 0.643 -12.699 1.00 0.00 C ATOM 1041 CD LYS A 76 0.504 -0.191 -13.964 1.00 0.00 C ATOM 1042 CE LYS A 76 -0.346 0.379 -15.090 1.00 0.00 C ATOM 1043 NZ LYS A 76 0.401 1.386 -15.893 1.00 0.00 N ATOM 0 H LYS A 76 3.253 3.472 -12.121 1.00 0.00 H new ATOM 0 HA LYS A 76 0.942 2.384 -10.667 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.962 2.643 -13.188 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.272 1.480 -13.252 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.534 0.007 -11.827 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.625 1.050 -12.625 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.547 -0.229 -14.278 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.196 -1.216 -13.757 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.678 -0.430 -15.740 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.241 0.839 -14.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.179 2.242 -16.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.288 1.629 -15.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.617 0.991 -16.831 1.00 0.00 H new ATOM 1057 N VAL A 77 1.967 0.323 -9.730 1.00 0.00 N ATOM 1058 CA VAL A 77 2.610 -0.788 -9.040 1.00 0.00 C ATOM 1059 C VAL A 77 1.798 -2.070 -9.187 1.00 0.00 C ATOM 1060 O VAL A 77 0.683 -2.173 -8.675 1.00 0.00 O ATOM 1061 CB VAL A 77 2.801 -0.484 -7.542 1.00 0.00 C ATOM 1062 CG1 VAL A 77 3.422 -1.676 -6.830 1.00 0.00 C ATOM 1063 CG2 VAL A 77 3.654 0.762 -7.357 1.00 0.00 C ATOM 0 H VAL A 77 0.993 0.476 -9.467 1.00 0.00 H new ATOM 0 HA VAL A 77 3.587 -0.925 -9.503 1.00 0.00 H new ATOM 0 HB VAL A 77 1.823 -0.296 -7.099 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.549 -1.443 -5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.769 -2.543 -6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.393 -1.898 -7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.779 0.963 -6.293 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.631 0.605 -7.814 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.164 1.612 -7.831 1.00 0.00 H new ATOM 1073 N MET A 78 2.364 -3.045 -9.890 1.00 0.00 N ATOM 1074 CA MET A 78 1.693 -4.322 -10.103 1.00 0.00 C ATOM 1075 C MET A 78 2.283 -5.404 -9.204 1.00 0.00 C ATOM 1076 O MET A 78 3.496 -5.615 -9.186 1.00 0.00 O ATOM 1077 CB MET A 78 1.806 -4.744 -11.570 1.00 0.00 C ATOM 1078 CG MET A 78 1.208 -3.737 -12.539 1.00 0.00 C ATOM 1079 SD MET A 78 1.491 -4.181 -14.264 1.00 0.00 S ATOM 1080 CE MET A 78 2.995 -3.270 -14.605 1.00 0.00 C ATOM 0 H MET A 78 3.285 -2.975 -10.322 1.00 0.00 H new ATOM 0 HA MET A 78 0.641 -4.197 -9.848 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.857 -4.894 -11.817 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.308 -5.704 -11.703 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.136 -3.658 -12.359 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.637 -2.754 -12.346 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.299 -3.443 -15.637 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.818 -2.205 -14.452 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.785 -3.607 -13.933 1.00 0.00 H new ATOM 1090 N TYR A 79 1.419 -6.085 -8.460 1.00 0.00 N ATOM 1091 CA TYR A 79 1.857 -7.143 -7.557 1.00 0.00 C ATOM 1092 C TYR A 79 0.786 -8.221 -7.422 1.00 0.00 C ATOM 1093 O TYR A 79 -0.406 -7.923 -7.332 1.00 0.00 O ATOM 1094 CB TYR A 79 2.188 -6.563 -6.181 1.00 0.00 C ATOM 1095 CG TYR A 79 0.969 -6.301 -5.325 1.00 0.00 C ATOM 1096 CD1 TYR A 79 0.253 -7.350 -4.761 1.00 0.00 C ATOM 1097 CD2 TYR A 79 0.533 -5.004 -5.081 1.00 0.00 C ATOM 1098 CE1 TYR A 79 -0.861 -7.115 -3.979 1.00 0.00 C ATOM 1099 CE2 TYR A 79 -0.580 -4.760 -4.299 1.00 0.00 C ATOM 1100 CZ TYR A 79 -1.273 -5.819 -3.750 1.00 0.00 C ATOM 1101 OH TYR A 79 -2.383 -5.580 -2.972 1.00 0.00 O ATOM 0 H TYR A 79 0.412 -5.924 -8.464 1.00 0.00 H new ATOM 0 HA TYR A 79 2.754 -7.597 -7.978 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.850 -7.252 -5.655 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.737 -5.631 -6.312 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.573 -8.366 -4.937 1.00 0.00 H new ATOM 0 HD2 TYR A 79 1.073 -4.173 -5.510 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.407 -7.942 -3.549 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.905 -3.746 -4.119 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.046 -5.081 -3.493 1.00 0.00 H new ATOM 1111 N THR A 80 1.219 -9.478 -7.408 1.00 0.00 N ATOM 1112 CA THR A 80 0.300 -10.602 -7.286 1.00 0.00 C ATOM 1113 C THR A 80 0.729 -11.544 -6.166 1.00 0.00 C ATOM 1114 O THR A 80 1.798 -12.153 -6.210 1.00 0.00 O ATOM 1115 CB THR A 80 0.206 -11.398 -8.601 1.00 0.00 C ATOM 1116 OG1 THR A 80 -0.280 -10.553 -9.651 1.00 0.00 O ATOM 1117 CG2 THR A 80 -0.714 -12.599 -8.443 1.00 0.00 C ATOM 0 H THR A 80 2.201 -9.743 -7.480 1.00 0.00 H new ATOM 0 HA THR A 80 -0.679 -10.184 -7.052 1.00 0.00 H new ATOM 0 HB THR A 80 1.204 -11.756 -8.855 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.186 -11.013 -10.511 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.764 -13.145 -9.385 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.326 -13.255 -7.664 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.712 -12.259 -8.167 1.00 0.00 H new ATOM 1125 N PRO A 81 -0.122 -11.667 -5.137 1.00 0.00 N ATOM 1126 CA PRO A 81 0.148 -12.534 -3.986 1.00 0.00 C ATOM 1127 C PRO A 81 0.080 -14.014 -4.346 1.00 0.00 C ATOM 1128 O PRO A 81 -0.748 -14.427 -5.157 1.00 0.00 O ATOM 1129 CB PRO A 81 -0.966 -12.172 -3.000 1.00 0.00 C ATOM 1130 CG PRO A 81 -2.073 -11.656 -3.853 1.00 0.00 C ATOM 1131 CD PRO A 81 -1.414 -10.970 -5.017 1.00 0.00 C ATOM 0 HA PRO A 81 1.152 -12.384 -3.590 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.282 -13.041 -2.424 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -0.633 -11.419 -2.285 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.716 -12.469 -4.192 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.703 -10.962 -3.297 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.007 -11.063 -5.927 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -1.280 -9.904 -4.832 1.00 0.00 H new ATOM 1139 N MET A 82 0.956 -14.807 -3.739 1.00 0.00 N ATOM 1140 CA MET A 82 0.994 -16.242 -3.995 1.00 0.00 C ATOM 1141 C MET A 82 0.310 -17.014 -2.871 1.00 0.00 C ATOM 1142 O MET A 82 -0.183 -18.122 -3.078 1.00 0.00 O ATOM 1143 CB MET A 82 2.440 -16.717 -4.148 1.00 0.00 C ATOM 1144 CG MET A 82 2.578 -17.994 -4.961 1.00 0.00 C ATOM 1145 SD MET A 82 4.085 -18.905 -4.573 1.00 0.00 S ATOM 1146 CE MET A 82 3.444 -20.169 -3.478 1.00 0.00 C ATOM 0 H MET A 82 1.649 -14.480 -3.066 1.00 0.00 H new ATOM 0 HA MET A 82 0.456 -16.433 -4.923 1.00 0.00 H new ATOM 0 HB2 MET A 82 3.024 -15.929 -4.623 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.867 -16.878 -3.158 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.714 -18.633 -4.776 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.571 -17.747 -6.023 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.259 -20.815 -3.151 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.983 -19.698 -2.609 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.699 -20.764 -4.006 1.00 0.00 H new ATOM 1156 N ALA A 83 0.283 -16.420 -1.683 1.00 0.00 N ATOM 1157 CA ALA A 83 -0.343 -17.051 -0.527 1.00 0.00 C ATOM 1158 C ALA A 83 -1.230 -16.064 0.224 1.00 0.00 C ATOM 1159 O ALA A 83 -0.947 -14.868 0.296 1.00 0.00 O ATOM 1160 CB ALA A 83 0.719 -17.622 0.401 1.00 0.00 C ATOM 0 H ALA A 83 0.687 -15.503 -1.495 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.973 -17.865 -0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.238 -18.090 1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.309 -18.366 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.372 -16.820 0.744 1.00 0.00 H new ATOM 1166 N PRO A 84 -2.330 -16.574 0.796 1.00 0.00 N ATOM 1167 CA PRO A 84 -3.282 -15.754 1.552 1.00 0.00 C ATOM 1168 C PRO A 84 -2.702 -15.263 2.875 1.00 0.00 C ATOM 1169 O PRO A 84 -1.682 -15.769 3.342 1.00 0.00 O ATOM 1170 CB PRO A 84 -4.452 -16.708 1.803 1.00 0.00 C ATOM 1171 CG PRO A 84 -3.848 -18.069 1.754 1.00 0.00 C ATOM 1172 CD PRO A 84 -2.730 -17.990 0.751 1.00 0.00 C ATOM 0 HA PRO A 84 -3.560 -14.850 1.010 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.919 -16.517 2.769 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.227 -16.591 1.046 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.473 -18.365 2.734 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.587 -18.813 1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.904 -18.649 1.017 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -3.063 -18.282 -0.245 1.00 0.00 H new ATOM 1180 N GLY A 85 -3.359 -14.275 3.474 1.00 0.00 N ATOM 1181 CA GLY A 85 -2.893 -13.734 4.737 1.00 0.00 C ATOM 1182 C GLY A 85 -3.175 -12.250 4.871 1.00 0.00 C ATOM 1183 O GLY A 85 -4.193 -11.759 4.386 1.00 0.00 O ATOM 0 H GLY A 85 -4.205 -13.840 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.374 -14.268 5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.821 -13.907 4.829 1.00 0.00 H new ATOM 1187 N ASN A 86 -2.271 -11.535 5.533 1.00 0.00 N ATOM 1188 CA ASN A 86 -2.428 -10.099 5.731 1.00 0.00 C ATOM 1189 C ASN A 86 -1.177 -9.348 5.285 1.00 0.00 C ATOM 1190 O ASN A 86 -0.074 -9.623 5.757 1.00 0.00 O ATOM 1191 CB ASN A 86 -2.721 -9.795 7.202 1.00 0.00 C ATOM 1192 CG ASN A 86 -1.698 -10.413 8.135 1.00 0.00 C ATOM 1193 OD1 ASN A 86 -1.284 -11.557 7.951 1.00 0.00 O ATOM 1194 ND2 ASN A 86 -1.284 -9.655 9.144 1.00 0.00 N ATOM 0 H ASN A 86 -1.422 -11.927 5.941 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.268 -9.764 5.123 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.739 -8.715 7.350 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.713 -10.168 7.457 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.596 -10.016 9.804 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.654 -8.712 9.258 1.00 0.00 H new ATOM 1201 N TYR A 87 -1.358 -8.398 4.374 1.00 0.00 N ATOM 1202 CA TYR A 87 -0.244 -7.608 3.862 1.00 0.00 C ATOM 1203 C TYR A 87 -0.397 -6.140 4.245 1.00 0.00 C ATOM 1204 O TYR A 87 -1.502 -5.669 4.519 1.00 0.00 O ATOM 1205 CB TYR A 87 -0.152 -7.744 2.341 1.00 0.00 C ATOM 1206 CG TYR A 87 0.308 -9.109 1.882 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -0.462 -10.240 2.123 1.00 0.00 C ATOM 1208 CD2 TYR A 87 1.512 -9.268 1.208 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -0.047 -11.490 1.706 1.00 0.00 C ATOM 1210 CE2 TYR A 87 1.935 -10.514 0.786 1.00 0.00 C ATOM 1211 CZ TYR A 87 1.153 -11.621 1.037 1.00 0.00 C ATOM 1212 OH TYR A 87 1.571 -12.864 0.619 1.00 0.00 O ATOM 0 H TYR A 87 -2.265 -8.156 3.975 1.00 0.00 H new ATOM 0 HA TYR A 87 0.674 -7.987 4.310 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.129 -7.534 1.906 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.536 -6.990 1.958 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.402 -10.140 2.646 1.00 0.00 H new ATOM 0 HD2 TYR A 87 2.128 -8.403 1.010 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.658 -12.359 1.902 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.874 -10.620 0.262 1.00 0.00 H new ATOM 0 HH TYR A 87 2.516 -12.823 0.364 1.00 0.00 H new ATOM 1222 N LEU A 88 0.720 -5.420 4.260 1.00 0.00 N ATOM 1223 CA LEU A 88 0.712 -4.003 4.608 1.00 0.00 C ATOM 1224 C LEU A 88 1.435 -3.178 3.549 1.00 0.00 C ATOM 1225 O LEU A 88 2.548 -3.512 3.141 1.00 0.00 O ATOM 1226 CB LEU A 88 1.369 -3.790 5.973 1.00 0.00 C ATOM 1227 CG LEU A 88 0.877 -2.583 6.773 1.00 0.00 C ATOM 1228 CD1 LEU A 88 -0.442 -2.900 7.461 1.00 0.00 C ATOM 1229 CD2 LEU A 88 1.923 -2.156 7.793 1.00 0.00 C ATOM 0 H LEU A 88 1.642 -5.794 4.035 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.325 -3.671 4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.213 -4.687 6.573 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.444 -3.689 5.825 1.00 0.00 H new ATOM 0 HG LEU A 88 0.714 -1.756 6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.776 -2.029 8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.191 -3.156 6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.305 -3.742 8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.556 -1.296 8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.119 -2.979 8.480 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.845 -1.886 7.278 1.00 0.00 H new ATOM 1241 N ILE A 89 0.796 -2.099 3.108 1.00 0.00 N ATOM 1242 CA ILE A 89 1.381 -1.225 2.099 1.00 0.00 C ATOM 1243 C ILE A 89 1.598 0.181 2.648 1.00 0.00 C ATOM 1244 O ILE A 89 0.643 0.881 2.983 1.00 0.00 O ATOM 1245 CB ILE A 89 0.492 -1.142 0.844 1.00 0.00 C ATOM 1246 CG1 ILE A 89 0.226 -2.543 0.287 1.00 0.00 C ATOM 1247 CG2 ILE A 89 1.147 -0.263 -0.211 1.00 0.00 C ATOM 1248 CD1 ILE A 89 -0.841 -2.574 -0.785 1.00 0.00 C ATOM 0 H ILE A 89 -0.126 -1.810 3.434 1.00 0.00 H new ATOM 0 HA ILE A 89 2.343 -1.658 1.826 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.462 -0.694 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.153 -2.944 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.072 -3.200 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.507 -0.214 -1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.291 0.740 0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.113 -0.685 -0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.977 -3.598 -1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.780 -2.203 -0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.536 -1.944 -1.620 1.00 0.00 H new ATOM 1260 N SER A 90 2.860 0.587 2.736 1.00 0.00 N ATOM 1261 CA SER A 90 3.204 1.909 3.247 1.00 0.00 C ATOM 1262 C SER A 90 3.524 2.867 2.103 1.00 0.00 C ATOM 1263 O SER A 90 3.978 2.450 1.038 1.00 0.00 O ATOM 1264 CB SER A 90 4.397 1.817 4.199 1.00 0.00 C ATOM 1265 OG SER A 90 4.032 1.188 5.415 1.00 0.00 O ATOM 0 H SER A 90 3.662 0.020 2.460 1.00 0.00 H new ATOM 0 HA SER A 90 2.343 2.296 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.203 1.257 3.724 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.781 2.816 4.404 1.00 0.00 H new ATOM 0 HG SER A 90 4.813 1.140 6.006 1.00 0.00 H new ATOM 1271 N VAL A 91 3.283 4.154 2.332 1.00 0.00 N ATOM 1272 CA VAL A 91 3.546 5.172 1.323 1.00 0.00 C ATOM 1273 C VAL A 91 3.824 6.526 1.967 1.00 0.00 C ATOM 1274 O VAL A 91 2.989 7.064 2.694 1.00 0.00 O ATOM 1275 CB VAL A 91 2.362 5.315 0.347 1.00 0.00 C ATOM 1276 CG1 VAL A 91 2.653 6.386 -0.693 1.00 0.00 C ATOM 1277 CG2 VAL A 91 2.059 3.981 -0.320 1.00 0.00 C ATOM 0 H VAL A 91 2.906 4.516 3.208 1.00 0.00 H new ATOM 0 HA VAL A 91 4.427 4.848 0.770 1.00 0.00 H new ATOM 0 HB VAL A 91 1.482 5.622 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.806 6.472 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.818 7.342 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.545 6.113 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.220 4.099 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.935 3.643 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.804 3.243 0.441 1.00 0.00 H new ATOM 1287 N LYS A 92 5.005 7.072 1.696 1.00 0.00 N ATOM 1288 CA LYS A 92 5.395 8.364 2.247 1.00 0.00 C ATOM 1289 C LYS A 92 5.647 9.377 1.134 1.00 0.00 C ATOM 1290 O LYS A 92 5.892 9.004 -0.014 1.00 0.00 O ATOM 1291 CB LYS A 92 6.650 8.216 3.109 1.00 0.00 C ATOM 1292 CG LYS A 92 6.377 7.639 4.487 1.00 0.00 C ATOM 1293 CD LYS A 92 7.619 6.994 5.078 1.00 0.00 C ATOM 1294 CE LYS A 92 7.911 5.649 4.429 1.00 0.00 C ATOM 1295 NZ LYS A 92 7.046 4.569 4.978 1.00 0.00 N ATOM 0 H LYS A 92 5.709 6.639 1.098 1.00 0.00 H new ATOM 0 HA LYS A 92 4.576 8.728 2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.363 7.575 2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.121 9.192 3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.026 8.429 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 92 5.578 6.900 4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.474 7.657 4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.485 6.860 6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.758 5.725 3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.958 5.390 4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.276 3.669 4.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.210 4.479 6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.047 4.803 4.807 1.00 0.00 H new ATOM 1309 N TYR A 93 5.587 10.658 1.481 1.00 0.00 N ATOM 1310 CA TYR A 93 5.808 11.724 0.511 1.00 0.00 C ATOM 1311 C TYR A 93 6.302 12.992 1.199 1.00 0.00 C ATOM 1312 O TYR A 93 5.621 13.554 2.055 1.00 0.00 O ATOM 1313 CB TYR A 93 4.518 12.017 -0.259 1.00 0.00 C ATOM 1314 CG TYR A 93 4.356 11.182 -1.508 1.00 0.00 C ATOM 1315 CD1 TYR A 93 3.780 9.918 -1.453 1.00 0.00 C ATOM 1316 CD2 TYR A 93 4.779 11.655 -2.744 1.00 0.00 C ATOM 1317 CE1 TYR A 93 3.630 9.151 -2.592 1.00 0.00 C ATOM 1318 CE2 TYR A 93 4.632 10.896 -3.889 1.00 0.00 C ATOM 1319 CZ TYR A 93 4.057 9.644 -3.808 1.00 0.00 C ATOM 1320 OH TYR A 93 3.910 8.884 -4.945 1.00 0.00 O ATOM 0 H TYR A 93 5.387 10.983 2.427 1.00 0.00 H new ATOM 0 HA TYR A 93 6.574 11.391 -0.190 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.665 11.843 0.397 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.500 13.072 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 93 3.444 9.529 -0.503 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.231 12.634 -2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.181 8.171 -2.531 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.965 11.280 -4.842 1.00 0.00 H new ATOM 0 HH TYR A 93 4.260 9.377 -5.716 1.00 0.00 H new ATOM 1330 N GLY A 94 7.495 13.439 0.815 1.00 0.00 N ATOM 1331 CA GLY A 94 8.062 14.638 1.404 1.00 0.00 C ATOM 1332 C GLY A 94 8.210 14.532 2.908 1.00 0.00 C ATOM 1333 O GLY A 94 7.544 15.246 3.657 1.00 0.00 O ATOM 0 H GLY A 94 8.078 12.992 0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.038 14.831 0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 94 7.428 15.492 1.164 1.00 0.00 H new ATOM 1337 N GLY A 95 9.085 13.635 3.354 1.00 0.00 N ATOM 1338 CA GLY A 95 9.301 13.452 4.777 1.00 0.00 C ATOM 1339 C GLY A 95 8.701 12.159 5.293 1.00 0.00 C ATOM 1340 O GLY A 95 8.033 11.426 4.564 1.00 0.00 O ATOM 0 H GLY A 95 9.648 13.032 2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.371 13.460 4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.866 14.292 5.318 1.00 0.00 H new ATOM 1344 N PRO A 96 8.942 11.863 6.579 1.00 0.00 N ATOM 1345 CA PRO A 96 8.431 10.647 7.220 1.00 0.00 C ATOM 1346 C PRO A 96 6.918 10.684 7.410 1.00 0.00 C ATOM 1347 O PRO A 96 6.326 9.739 7.929 1.00 0.00 O ATOM 1348 CB PRO A 96 9.140 10.637 8.577 1.00 0.00 C ATOM 1349 CG PRO A 96 9.461 12.067 8.847 1.00 0.00 C ATOM 1350 CD PRO A 96 9.731 12.691 7.506 1.00 0.00 C ATOM 0 HA PRO A 96 8.620 9.758 6.618 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.500 10.221 9.355 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.043 10.027 8.547 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.632 12.565 9.349 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.329 12.156 9.500 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.418 13.735 7.478 1.00 0.00 H new ATOM 0 HD3 PRO A 96 10.793 12.670 7.259 1.00 0.00 H new ATOM 1358 N ASN A 97 6.300 11.781 6.985 1.00 0.00 N ATOM 1359 CA ASN A 97 4.855 11.941 7.108 1.00 0.00 C ATOM 1360 C ASN A 97 4.126 11.130 6.041 1.00 0.00 C ATOM 1361 O ASN A 97 4.240 11.410 4.847 1.00 0.00 O ATOM 1362 CB ASN A 97 4.473 13.418 6.994 1.00 0.00 C ATOM 1363 CG ASN A 97 5.448 14.325 7.718 1.00 0.00 C ATOM 1364 OD1 ASN A 97 5.919 14.004 8.809 1.00 0.00 O ATOM 1365 ND2 ASN A 97 5.755 15.467 7.113 1.00 0.00 N ATOM 0 H ASN A 97 6.777 12.572 6.552 1.00 0.00 H new ATOM 0 HA ASN A 97 4.555 11.571 8.088 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.432 13.700 5.942 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.473 13.564 7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.405 16.118 7.553 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.341 15.692 6.209 1.00 0.00 H new ATOM 1372 N HIS A 98 3.375 10.125 6.480 1.00 0.00 N ATOM 1373 CA HIS A 98 2.625 9.274 5.562 1.00 0.00 C ATOM 1374 C HIS A 98 1.450 10.035 4.954 1.00 0.00 C ATOM 1375 O HIS A 98 1.058 11.091 5.451 1.00 0.00 O ATOM 1376 CB HIS A 98 2.119 8.027 6.288 1.00 0.00 C ATOM 1377 CG HIS A 98 1.533 8.314 7.636 1.00 0.00 C ATOM 1378 ND1 HIS A 98 1.991 7.727 8.797 1.00 0.00 N ATOM 1379 CD2 HIS A 98 0.521 9.134 8.005 1.00 0.00 C ATOM 1380 CE1 HIS A 98 1.285 8.172 9.821 1.00 0.00 C ATOM 1381 NE2 HIS A 98 0.387 9.027 9.368 1.00 0.00 N ATOM 0 H HIS A 98 3.269 9.880 7.464 1.00 0.00 H new ATOM 0 HA HIS A 98 3.294 8.970 4.757 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.366 7.538 5.670 1.00 0.00 H new ATOM 0 HB3 HIS A 98 2.944 7.323 6.402 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -0.071 9.756 7.350 1.00 0.00 H new ATOM 0 HE1 HIS A 98 1.420 7.885 10.853 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -0.296 9.527 9.938 1.00 0.00 H new ATOM 1389 N ILE A 99 0.893 9.490 3.878 1.00 0.00 N ATOM 1390 CA ILE A 99 -0.237 10.118 3.203 1.00 0.00 C ATOM 1391 C ILE A 99 -1.550 9.780 3.901 1.00 0.00 C ATOM 1392 O ILE A 99 -1.602 8.896 4.755 1.00 0.00 O ATOM 1393 CB ILE A 99 -0.325 9.681 1.729 1.00 0.00 C ATOM 1394 CG1 ILE A 99 -0.481 8.162 1.632 1.00 0.00 C ATOM 1395 CG2 ILE A 99 0.908 10.141 0.965 1.00 0.00 C ATOM 1396 CD1 ILE A 99 -1.056 7.696 0.313 1.00 0.00 C ATOM 0 H ILE A 99 1.205 8.616 3.455 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.072 11.195 3.245 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.202 10.147 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.493 7.695 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.125 7.819 2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.831 9.824 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.979 11.228 1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.799 9.701 1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.138 6.609 0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.044 8.134 0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.401 8.008 -0.500 1.00 0.00 H new ATOM 1408 N VAL A 100 -2.610 10.491 3.529 1.00 0.00 N ATOM 1409 CA VAL A 100 -3.925 10.265 4.117 1.00 0.00 C ATOM 1410 C VAL A 100 -4.438 8.866 3.796 1.00 0.00 C ATOM 1411 O VAL A 100 -4.233 8.356 2.696 1.00 0.00 O ATOM 1412 CB VAL A 100 -4.949 11.303 3.618 1.00 0.00 C ATOM 1413 CG1 VAL A 100 -6.368 10.824 3.883 1.00 0.00 C ATOM 1414 CG2 VAL A 100 -4.702 12.653 4.274 1.00 0.00 C ATOM 0 H VAL A 100 -2.584 11.228 2.824 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.811 10.368 5.196 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.826 11.420 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.077 11.570 3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.537 9.882 3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -6.508 10.676 4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.434 13.374 3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.796 12.555 5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.698 12.999 4.027 1.00 0.00 H new ATOM 1424 N GLY A 101 -5.108 8.250 4.766 1.00 0.00 N ATOM 1425 CA GLY A 101 -5.641 6.915 4.566 1.00 0.00 C ATOM 1426 C GLY A 101 -4.696 5.835 5.053 1.00 0.00 C ATOM 1427 O GLY A 101 -5.115 4.884 5.713 1.00 0.00 O ATOM 0 H GLY A 101 -5.291 8.651 5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.592 6.825 5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.846 6.764 3.506 1.00 0.00 H new ATOM 1431 N SER A 102 -3.416 5.979 4.726 1.00 0.00 N ATOM 1432 CA SER A 102 -2.409 5.005 5.129 1.00 0.00 C ATOM 1433 C SER A 102 -2.184 5.050 6.638 1.00 0.00 C ATOM 1434 O SER A 102 -2.506 6.029 7.311 1.00 0.00 O ATOM 1435 CB SER A 102 -1.091 5.269 4.398 1.00 0.00 C ATOM 1436 OG SER A 102 -1.039 4.563 3.170 1.00 0.00 O ATOM 0 H SER A 102 -3.052 6.762 4.183 1.00 0.00 H new ATOM 0 HA SER A 102 -2.772 4.013 4.862 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.982 6.337 4.212 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.255 4.969 5.029 1.00 0.00 H new ATOM 0 HG SER A 102 -1.945 4.301 2.904 1.00 0.00 H new ATOM 1442 N PRO A 103 -1.617 3.963 7.183 1.00 0.00 N ATOM 1443 CA PRO A 103 -1.229 2.791 6.392 1.00 0.00 C ATOM 1444 C PRO A 103 -2.436 2.020 5.869 1.00 0.00 C ATOM 1445 O PRO A 103 -3.510 2.046 6.471 1.00 0.00 O ATOM 1446 CB PRO A 103 -0.439 1.938 7.386 1.00 0.00 C ATOM 1447 CG PRO A 103 -0.957 2.337 8.725 1.00 0.00 C ATOM 1448 CD PRO A 103 -1.310 3.795 8.613 1.00 0.00 C ATOM 0 HA PRO A 103 -0.662 3.068 5.503 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -0.592 0.874 7.204 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.632 2.125 7.304 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.830 1.744 8.999 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -0.206 2.175 9.498 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.164 4.051 9.240 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.483 4.434 8.924 1.00 0.00 H new ATOM 1456 N PHE A 104 -2.253 1.333 4.746 1.00 0.00 N ATOM 1457 CA PHE A 104 -3.328 0.554 4.142 1.00 0.00 C ATOM 1458 C PHE A 104 -3.236 -0.912 4.556 1.00 0.00 C ATOM 1459 O PHE A 104 -2.188 -1.543 4.419 1.00 0.00 O ATOM 1460 CB PHE A 104 -3.276 0.670 2.618 1.00 0.00 C ATOM 1461 CG PHE A 104 -3.410 2.080 2.119 1.00 0.00 C ATOM 1462 CD1 PHE A 104 -4.561 2.810 2.367 1.00 0.00 C ATOM 1463 CD2 PHE A 104 -2.385 2.676 1.402 1.00 0.00 C ATOM 1464 CE1 PHE A 104 -4.688 4.108 1.908 1.00 0.00 C ATOM 1465 CE2 PHE A 104 -2.505 3.974 0.941 1.00 0.00 C ATOM 1466 CZ PHE A 104 -3.658 4.691 1.195 1.00 0.00 C ATOM 0 H PHE A 104 -1.370 1.300 4.236 1.00 0.00 H new ATOM 0 HA PHE A 104 -4.277 0.954 4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.333 0.255 2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.073 0.064 2.188 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.369 2.360 2.925 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.481 2.120 1.201 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.591 4.666 2.107 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.699 4.427 0.383 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.754 5.705 0.837 1.00 0.00 H new ATOM 1476 N LYS A 105 -4.340 -1.447 5.064 1.00 0.00 N ATOM 1477 CA LYS A 105 -4.387 -2.839 5.497 1.00 0.00 C ATOM 1478 C LYS A 105 -5.247 -3.674 4.555 1.00 0.00 C ATOM 1479 O LYS A 105 -6.474 -3.587 4.578 1.00 0.00 O ATOM 1480 CB LYS A 105 -4.936 -2.932 6.923 1.00 0.00 C ATOM 1481 CG LYS A 105 -3.905 -2.619 7.993 1.00 0.00 C ATOM 1482 CD LYS A 105 -4.310 -3.191 9.342 1.00 0.00 C ATOM 1483 CE LYS A 105 -3.875 -4.642 9.485 1.00 0.00 C ATOM 1484 NZ LYS A 105 -4.619 -5.339 10.570 1.00 0.00 N ATOM 0 H LYS A 105 -5.215 -0.938 5.186 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.371 -3.234 5.478 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.775 -2.244 7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.326 -3.936 7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.938 -3.028 7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.782 -1.539 8.077 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.864 -2.596 10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.392 -3.121 9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.035 -5.164 8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.806 -4.682 9.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.294 -6.325 10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -4.446 -4.856 11.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.637 -5.323 10.358 1.00 0.00 H new ATOM 1498 N ALA A 106 -4.595 -4.484 3.727 1.00 0.00 N ATOM 1499 CA ALA A 106 -5.301 -5.337 2.779 1.00 0.00 C ATOM 1500 C ALA A 106 -5.320 -6.786 3.254 1.00 0.00 C ATOM 1501 O ALA A 106 -4.322 -7.297 3.762 1.00 0.00 O ATOM 1502 CB ALA A 106 -4.660 -5.239 1.402 1.00 0.00 C ATOM 0 H ALA A 106 -3.579 -4.567 3.694 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.332 -4.990 2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.197 -5.881 0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.703 -4.207 1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.620 -5.558 1.461 1.00 0.00 H new ATOM 1508 N LYS A 107 -6.462 -7.444 3.086 1.00 0.00 N ATOM 1509 CA LYS A 107 -6.612 -8.835 3.496 1.00 0.00 C ATOM 1510 C LYS A 107 -6.693 -9.755 2.282 1.00 0.00 C ATOM 1511 O LYS A 107 -7.578 -9.611 1.439 1.00 0.00 O ATOM 1512 CB LYS A 107 -7.865 -9.001 4.359 1.00 0.00 C ATOM 1513 CG LYS A 107 -8.092 -10.426 4.834 1.00 0.00 C ATOM 1514 CD LYS A 107 -9.256 -10.510 5.808 1.00 0.00 C ATOM 1515 CE LYS A 107 -10.589 -10.324 5.099 1.00 0.00 C ATOM 1516 NZ LYS A 107 -11.099 -11.603 4.533 1.00 0.00 N ATOM 0 H LYS A 107 -7.298 -7.036 2.668 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.735 -9.112 4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.788 -8.346 5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.735 -8.674 3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.287 -11.070 3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.187 -10.799 5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.242 -11.477 6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.143 -9.748 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.320 -9.920 5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.476 -9.592 4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.349 -11.465 3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.363 -12.334 4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.942 -11.905 5.062 1.00 0.00 H new ATOM 1530 N VAL A 108 -5.763 -10.701 2.200 1.00 0.00 N ATOM 1531 CA VAL A 108 -5.730 -11.646 1.090 1.00 0.00 C ATOM 1532 C VAL A 108 -6.558 -12.888 1.401 1.00 0.00 C ATOM 1533 O VAL A 108 -6.429 -13.482 2.472 1.00 0.00 O ATOM 1534 CB VAL A 108 -4.288 -12.074 0.760 1.00 0.00 C ATOM 1535 CG1 VAL A 108 -4.259 -12.923 -0.503 1.00 0.00 C ATOM 1536 CG2 VAL A 108 -3.391 -10.854 0.613 1.00 0.00 C ATOM 0 H VAL A 108 -5.022 -10.833 2.889 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.156 -11.135 0.227 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.909 -12.678 1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.232 -13.216 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.868 -13.815 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.657 -12.346 -1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.376 -11.175 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.766 -10.222 -0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.388 -10.290 1.546 1.00 0.00 H new ATOM 1546 N THR A 109 -7.410 -13.277 0.457 1.00 0.00 N ATOM 1547 CA THR A 109 -8.261 -14.447 0.630 1.00 0.00 C ATOM 1548 C THR A 109 -8.209 -15.350 -0.597 1.00 0.00 C ATOM 1549 O THR A 109 -8.181 -14.873 -1.730 1.00 0.00 O ATOM 1550 CB THR A 109 -9.724 -14.045 0.896 1.00 0.00 C ATOM 1551 OG1 THR A 109 -10.213 -13.238 -0.181 1.00 0.00 O ATOM 1552 CG2 THR A 109 -9.845 -13.280 2.206 1.00 0.00 C ATOM 0 H THR A 109 -7.529 -12.798 -0.436 1.00 0.00 H new ATOM 0 HA THR A 109 -7.879 -14.990 1.495 1.00 0.00 H new ATOM 0 HB THR A 109 -10.321 -14.954 0.968 1.00 0.00 H new ATOM 0 HG1 THR A 109 -11.144 -12.988 -0.006 1.00 0.00 H new ATOM 0 HG21 THR A 109 -10.887 -13.007 2.373 1.00 0.00 H new ATOM 0 HG22 THR A 109 -9.499 -13.908 3.027 1.00 0.00 H new ATOM 0 HG23 THR A 109 -9.236 -12.377 2.158 1.00 0.00 H new ATOM 1560 N GLY A 110 -8.198 -16.659 -0.363 1.00 0.00 N ATOM 1561 CA GLY A 110 -8.150 -17.608 -1.459 1.00 0.00 C ATOM 1562 C GLY A 110 -7.178 -18.742 -1.203 1.00 0.00 C ATOM 1563 O GLY A 110 -5.978 -18.516 -1.048 1.00 0.00 O ATOM 0 H GLY A 110 -8.221 -17.079 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.146 -18.018 -1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.864 -17.088 -2.373 1.00 0.00 H new ATOM 1567 N GLN A 111 -7.696 -19.965 -1.157 1.00 0.00 N ATOM 1568 CA GLN A 111 -6.864 -21.138 -0.914 1.00 0.00 C ATOM 1569 C GLN A 111 -5.500 -20.985 -1.579 1.00 0.00 C ATOM 1570 O GLN A 111 -5.377 -20.352 -2.628 1.00 0.00 O ATOM 1571 CB GLN A 111 -7.559 -22.398 -1.434 1.00 0.00 C ATOM 1572 CG GLN A 111 -7.737 -22.417 -2.943 1.00 0.00 C ATOM 1573 CD GLN A 111 -8.756 -23.442 -3.398 1.00 0.00 C ATOM 1574 OE1 GLN A 111 -8.416 -24.593 -3.673 1.00 0.00 O ATOM 1575 NE2 GLN A 111 -10.016 -23.030 -3.480 1.00 0.00 N ATOM 0 H GLN A 111 -8.687 -20.170 -1.285 1.00 0.00 H new ATOM 0 HA GLN A 111 -6.715 -21.231 0.162 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -6.981 -23.272 -1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -8.537 -22.485 -0.960 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -8.047 -21.428 -3.281 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -6.778 -22.629 -3.415 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -10.254 -22.067 -3.243 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -10.745 -23.677 -3.780 1.00 0.00 H new ATOM 1584 N ARG A 112 -4.478 -21.568 -0.961 1.00 0.00 N ATOM 1585 CA ARG A 112 -3.122 -21.495 -1.492 1.00 0.00 C ATOM 1586 C ARG A 112 -3.055 -22.089 -2.896 1.00 0.00 C ATOM 1587 O ARG A 112 -3.496 -23.216 -3.126 1.00 0.00 O ATOM 1588 CB ARG A 112 -2.149 -22.230 -0.569 1.00 0.00 C ATOM 1589 CG ARG A 112 -2.169 -21.723 0.864 1.00 0.00 C ATOM 1590 CD ARG A 112 -1.393 -22.645 1.792 1.00 0.00 C ATOM 1591 NE ARG A 112 -2.027 -23.955 1.916 1.00 0.00 N ATOM 1592 CZ ARG A 112 -1.397 -25.037 2.362 1.00 0.00 C ATOM 1593 NH1 ARG A 112 -0.124 -24.964 2.725 1.00 0.00 N ATOM 1594 NH2 ARG A 112 -2.041 -26.194 2.446 1.00 0.00 N ATOM 0 H ARG A 112 -4.563 -22.096 -0.092 1.00 0.00 H new ATOM 0 HA ARG A 112 -2.837 -20.444 -1.546 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -2.390 -23.293 -0.573 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.139 -22.131 -0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.741 -20.721 0.903 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.200 -21.642 1.208 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.378 -22.768 1.415 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.314 -22.185 2.777 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.006 -24.044 1.646 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.374 -24.076 2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.357 -25.796 3.067 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.021 -26.254 2.168 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.556 -27.024 2.788 1.00 0.00 H new ATOM 1608 N LEU A 113 -2.502 -21.324 -3.831 1.00 0.00 N ATOM 1609 CA LEU A 113 -2.377 -21.775 -5.213 1.00 0.00 C ATOM 1610 C LEU A 113 -1.331 -22.878 -5.334 1.00 0.00 C ATOM 1611 O LEU A 113 -0.129 -22.617 -5.276 1.00 0.00 O ATOM 1612 CB LEU A 113 -2.005 -20.601 -6.121 1.00 0.00 C ATOM 1613 CG LEU A 113 -2.752 -19.291 -5.865 1.00 0.00 C ATOM 1614 CD1 LEU A 113 -2.371 -18.248 -6.904 1.00 0.00 C ATOM 1615 CD2 LEU A 113 -4.255 -19.526 -5.867 1.00 0.00 C ATOM 0 H LEU A 113 -2.133 -20.389 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.340 -22.178 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.936 -20.413 -6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.178 -20.899 -7.155 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.465 -18.916 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.912 -17.323 -6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.299 -18.059 -6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.629 -18.614 -7.898 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.771 -18.584 -5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.560 -19.924 -6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.513 -20.239 -5.084 1.00 0.00 H new