USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -149:sc= -1.95! (180deg=-4.39!) USER MOD Single : A 27 GLN : amide:sc= 0.00717 X(o=0.0072,f=0) USER MOD Single : A 28 CYS SG : rot -140:sc= -0.158 USER MOD Single : A 29 SER OG : rot -43:sc= 0.22 USER MOD Single : A 32 MET CE :methyl 173:sc= -7.29! (180deg=-7.67!) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 2.57 (180deg=2.51) USER MOD Single : A 45 GLN : amide:sc= -0.0838 X(o=-0.084,f=-0.52) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 148:sc= 2.07 (180deg=1.19) USER MOD Single : A 57 MET CE :methyl 169:sc= -1.33 (180deg=-1.66) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.34) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 91 SER OG : rot 51:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 270 N GLY A 20 14.310 7.839 1.635 1.00 0.00 N ATOM 271 CA GLY A 20 14.504 7.673 0.207 1.00 0.00 C ATOM 272 C GLY A 20 14.045 6.281 -0.174 1.00 0.00 C ATOM 273 O GLY A 20 12.840 6.005 -0.120 1.00 0.00 O ATOM 0 HA2 GLY A 20 13.937 8.424 -0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.553 7.812 -0.053 1.00 0.00 H new ATOM 277 N PHE A 21 14.987 5.412 -0.533 1.00 0.00 N ATOM 278 CA PHE A 21 14.775 3.991 -0.762 1.00 0.00 C ATOM 279 C PHE A 21 15.859 3.207 -0.012 1.00 0.00 C ATOM 280 O PHE A 21 16.875 3.780 0.392 1.00 0.00 O ATOM 281 CB PHE A 21 14.793 3.695 -2.277 1.00 0.00 C ATOM 282 CG PHE A 21 13.452 3.860 -2.975 1.00 0.00 C ATOM 283 CD1 PHE A 21 12.862 5.126 -3.133 1.00 0.00 C ATOM 284 CD2 PHE A 21 12.765 2.729 -3.447 1.00 0.00 C ATOM 285 CE1 PHE A 21 11.574 5.247 -3.683 1.00 0.00 C ATOM 286 CE2 PHE A 21 11.486 2.850 -4.019 1.00 0.00 C ATOM 287 CZ PHE A 21 10.880 4.110 -4.128 1.00 0.00 C ATOM 0 H PHE A 21 15.957 5.693 -0.677 1.00 0.00 H new ATOM 0 HA PHE A 21 13.800 3.682 -0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.518 4.355 -2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.143 2.674 -2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.402 6.011 -2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.225 1.755 -3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.115 6.221 -3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.969 1.971 -4.375 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.890 4.205 -4.550 1.00 0.00 H new ATOM 297 N VAL A 22 15.668 1.903 0.167 1.00 0.00 N ATOM 298 CA VAL A 22 16.654 1.023 0.784 1.00 0.00 C ATOM 299 C VAL A 22 16.541 -0.361 0.151 1.00 0.00 C ATOM 300 O VAL A 22 15.445 -0.744 -0.273 1.00 0.00 O ATOM 301 CB VAL A 22 16.398 1.010 2.306 1.00 0.00 C ATOM 302 CG1 VAL A 22 15.343 -0.005 2.761 1.00 0.00 C ATOM 303 CG2 VAL A 22 17.693 0.811 3.094 1.00 0.00 C ATOM 0 H VAL A 22 14.814 1.423 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 22 17.674 1.370 0.619 1.00 0.00 H new ATOM 0 HB VAL A 22 15.989 1.996 2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.226 0.053 3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.391 0.220 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.661 -1.010 2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 22 17.472 0.807 4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 22 18.147 -0.140 2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 22 18.384 1.623 2.869 1.00 0.00 H new ATOM 313 N THR A 23 17.638 -1.121 0.126 1.00 0.00 N ATOM 314 CA THR A 23 17.594 -2.527 -0.246 1.00 0.00 C ATOM 315 C THR A 23 16.986 -3.345 0.911 1.00 0.00 C ATOM 316 O THR A 23 17.306 -3.106 2.077 1.00 0.00 O ATOM 317 CB THR A 23 19.009 -3.032 -0.598 1.00 0.00 C ATOM 318 OG1 THR A 23 19.652 -2.217 -1.560 1.00 0.00 O ATOM 319 CG2 THR A 23 18.938 -4.438 -1.199 1.00 0.00 C ATOM 0 H THR A 23 18.570 -0.779 0.361 1.00 0.00 H new ATOM 0 HA THR A 23 16.967 -2.650 -1.129 1.00 0.00 H new ATOM 0 HB THR A 23 19.572 -3.015 0.335 1.00 0.00 H new ATOM 0 HG1 THR A 23 20.544 -2.576 -1.749 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.944 -4.781 -1.442 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.487 -5.120 -0.478 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.333 -4.416 -2.105 1.00 0.00 H new ATOM 327 N MET A 24 16.183 -4.371 0.610 1.00 0.00 N ATOM 328 CA MET A 24 15.956 -5.508 1.482 1.00 0.00 C ATOM 329 C MET A 24 16.580 -6.753 0.880 1.00 0.00 C ATOM 330 O MET A 24 16.857 -6.842 -0.322 1.00 0.00 O ATOM 331 CB MET A 24 14.481 -5.761 1.810 1.00 0.00 C ATOM 332 CG MET A 24 13.588 -4.532 1.821 1.00 0.00 C ATOM 333 SD MET A 24 11.830 -4.908 2.123 1.00 0.00 S ATOM 334 CE MET A 24 11.882 -5.734 3.733 1.00 0.00 C ATOM 0 H MET A 24 15.666 -4.427 -0.267 1.00 0.00 H new ATOM 0 HA MET A 24 16.434 -5.264 2.431 1.00 0.00 H new ATOM 0 HB2 MET A 24 14.083 -6.470 1.084 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.422 -6.239 2.788 1.00 0.00 H new ATOM 0 HG2 MET A 24 13.941 -3.844 2.589 1.00 0.00 H new ATOM 0 HG3 MET A 24 13.681 -4.017 0.865 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.076 -6.465 3.793 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.840 -6.240 3.852 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.761 -4.995 4.525 1.00 0.00 H new ATOM 344 N ILE A 25 16.768 -7.723 1.759 1.00 0.00 N ATOM 345 CA ILE A 25 17.689 -8.834 1.635 1.00 0.00 C ATOM 346 C ILE A 25 16.813 -10.058 1.840 1.00 0.00 C ATOM 347 O ILE A 25 16.227 -10.227 2.910 1.00 0.00 O ATOM 348 CB ILE A 25 18.774 -8.721 2.737 1.00 0.00 C ATOM 349 CG1 ILE A 25 19.410 -7.322 2.878 1.00 0.00 C ATOM 350 CG2 ILE A 25 19.859 -9.810 2.661 1.00 0.00 C ATOM 351 CD1 ILE A 25 20.216 -6.814 1.680 1.00 0.00 C ATOM 0 H ILE A 25 16.246 -7.755 2.635 1.00 0.00 H new ATOM 0 HA ILE A 25 18.215 -8.869 0.681 1.00 0.00 H new ATOM 0 HB ILE A 25 18.204 -8.893 3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 25 18.615 -6.605 3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.064 -7.331 3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.580 -9.662 3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 25 19.397 -10.792 2.764 1.00 0.00 H new ATOM 0 HG23 ILE A 25 20.369 -9.749 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 25 20.611 -5.822 1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 25 21.042 -7.497 1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.570 -6.760 0.804 1.00 0.00 H new ATOM 363 N LEU A 26 16.673 -10.879 0.803 1.00 0.00 N ATOM 364 CA LEU A 26 15.836 -12.064 0.856 1.00 0.00 C ATOM 365 C LEU A 26 16.695 -13.312 0.742 1.00 0.00 C ATOM 366 O LEU A 26 17.565 -13.378 -0.130 1.00 0.00 O ATOM 367 CB LEU A 26 14.755 -12.016 -0.239 1.00 0.00 C ATOM 368 CG LEU A 26 13.323 -12.095 0.310 1.00 0.00 C ATOM 369 CD1 LEU A 26 13.149 -13.296 1.184 1.00 0.00 C ATOM 370 CD2 LEU A 26 12.932 -10.784 1.017 1.00 0.00 C ATOM 0 H LEU A 26 17.137 -10.738 -0.094 1.00 0.00 H new ATOM 0 HA LEU A 26 15.322 -12.094 1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.867 -11.093 -0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.915 -12.841 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 26 12.636 -12.217 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.126 -13.328 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.352 -14.198 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.842 -13.239 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.914 -10.865 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.615 -10.600 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.990 -9.957 0.309 1.00 0.00 H new ATOM 382 N GLN A 27 16.433 -14.298 1.598 1.00 0.00 N ATOM 383 CA GLN A 27 17.251 -15.480 1.802 1.00 0.00 C ATOM 384 C GLN A 27 16.332 -16.688 1.951 1.00 0.00 C ATOM 385 O GLN A 27 15.336 -16.625 2.671 1.00 0.00 O ATOM 386 CB GLN A 27 18.085 -15.263 3.074 1.00 0.00 C ATOM 387 CG GLN A 27 19.369 -14.463 2.807 1.00 0.00 C ATOM 388 CD GLN A 27 20.578 -15.382 2.839 1.00 0.00 C ATOM 389 OE1 GLN A 27 21.244 -15.516 3.861 1.00 0.00 O ATOM 390 NE2 GLN A 27 20.869 -16.071 1.753 1.00 0.00 N ATOM 0 H GLN A 27 15.605 -14.289 2.193 1.00 0.00 H new ATOM 0 HA GLN A 27 17.920 -15.655 0.959 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.482 -14.739 3.815 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.346 -16.231 3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 27 19.304 -13.970 1.837 1.00 0.00 H new ATOM 0 HG3 GLN A 27 19.480 -13.679 3.556 1.00 0.00 H new ATOM 0 HE21 GLN A 27 20.309 -15.952 0.909 1.00 0.00 H new ATOM 0 HE22 GLN A 27 21.654 -16.723 1.757 1.00 0.00 H new ATOM 399 N CYS A 28 16.673 -17.784 1.271 1.00 0.00 N ATOM 400 CA CYS A 28 15.914 -19.028 1.292 1.00 0.00 C ATOM 401 C CYS A 28 16.856 -20.221 1.441 1.00 0.00 C ATOM 402 O CYS A 28 18.022 -20.159 1.036 1.00 0.00 O ATOM 403 CB CYS A 28 15.046 -19.172 0.029 1.00 0.00 C ATOM 404 SG CYS A 28 15.715 -18.316 -1.428 1.00 0.00 S ATOM 0 H CYS A 28 17.502 -17.829 0.679 1.00 0.00 H new ATOM 0 HA CYS A 28 15.245 -19.003 2.152 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.934 -20.231 -0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 28 14.049 -18.785 0.239 1.00 0.00 H new ATOM 0 HG CYS A 28 14.744 -17.756 -2.086 1.00 0.00 H new ATOM 410 N SER A 29 16.339 -21.327 1.977 1.00 0.00 N ATOM 411 CA SER A 29 17.114 -22.539 2.232 1.00 0.00 C ATOM 412 C SER A 29 17.280 -23.429 0.980 1.00 0.00 C ATOM 413 O SER A 29 17.768 -24.553 1.112 1.00 0.00 O ATOM 414 CB SER A 29 16.479 -23.310 3.394 1.00 0.00 C ATOM 415 OG SER A 29 17.396 -24.211 3.962 1.00 0.00 O ATOM 0 H SER A 29 15.359 -21.406 2.249 1.00 0.00 H new ATOM 0 HA SER A 29 18.125 -22.238 2.506 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.134 -22.609 4.154 1.00 0.00 H new ATOM 0 HB3 SER A 29 15.603 -23.853 3.039 1.00 0.00 H new ATOM 0 HG SER A 29 17.890 -24.668 3.249 1.00 0.00 H new ATOM 421 N ILE A 30 16.892 -22.969 -0.218 1.00 0.00 N ATOM 422 CA ILE A 30 16.990 -23.732 -1.462 1.00 0.00 C ATOM 423 C ILE A 30 17.314 -22.779 -2.612 1.00 0.00 C ATOM 424 O ILE A 30 17.336 -21.560 -2.425 1.00 0.00 O ATOM 425 CB ILE A 30 15.699 -24.539 -1.757 1.00 0.00 C ATOM 426 CG1 ILE A 30 14.504 -23.619 -2.082 1.00 0.00 C ATOM 427 CG2 ILE A 30 15.356 -25.533 -0.629 1.00 0.00 C ATOM 428 CD1 ILE A 30 13.350 -24.358 -2.751 1.00 0.00 C ATOM 0 H ILE A 30 16.494 -22.039 -0.348 1.00 0.00 H new ATOM 0 HA ILE A 30 17.793 -24.462 -1.354 1.00 0.00 H new ATOM 0 HB ILE A 30 15.905 -25.131 -2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.147 -23.156 -1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.840 -22.813 -2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.444 -26.073 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 30 16.175 -26.242 -0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.206 -24.988 0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 30 12.539 -23.658 -2.955 1.00 0.00 H new ATOM 0 HD12 ILE A 30 13.694 -24.798 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.991 -25.147 -2.090 1.00 0.00 H new ATOM 440 N GLU A 31 17.529 -23.325 -3.807 1.00 0.00 N ATOM 441 CA GLU A 31 17.659 -22.580 -5.037 1.00 0.00 C ATOM 442 C GLU A 31 16.311 -22.052 -5.496 1.00 0.00 C ATOM 443 O GLU A 31 15.304 -22.762 -5.496 1.00 0.00 O ATOM 444 CB GLU A 31 18.236 -23.513 -6.098 1.00 0.00 C ATOM 445 CG GLU A 31 19.759 -23.417 -6.069 1.00 0.00 C ATOM 446 CD GLU A 31 20.426 -24.515 -6.887 1.00 0.00 C ATOM 447 OE1 GLU A 31 19.877 -24.937 -7.927 1.00 0.00 O ATOM 448 OE2 GLU A 31 21.552 -24.915 -6.494 1.00 0.00 O ATOM 0 H GLU A 31 17.619 -24.332 -3.940 1.00 0.00 H new ATOM 0 HA GLU A 31 18.316 -21.725 -4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 31 17.920 -24.539 -5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.860 -23.240 -7.084 1.00 0.00 H new ATOM 0 HG2 GLU A 31 20.066 -22.444 -6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 31 20.104 -23.476 -5.037 1.00 0.00 H new ATOM 455 N MET A 32 16.341 -20.809 -5.960 1.00 0.00 N ATOM 456 CA MET A 32 15.294 -20.149 -6.725 1.00 0.00 C ATOM 457 C MET A 32 15.669 -20.184 -8.212 1.00 0.00 C ATOM 458 O MET A 32 16.417 -19.316 -8.652 1.00 0.00 O ATOM 459 CB MET A 32 15.067 -18.691 -6.304 1.00 0.00 C ATOM 460 CG MET A 32 14.354 -18.503 -4.973 1.00 0.00 C ATOM 461 SD MET A 32 13.766 -16.797 -4.784 1.00 0.00 S ATOM 462 CE MET A 32 15.298 -15.849 -4.549 1.00 0.00 C ATOM 0 H MET A 32 17.144 -20.200 -5.802 1.00 0.00 H new ATOM 0 HA MET A 32 14.366 -20.688 -6.533 1.00 0.00 H new ATOM 0 HB2 MET A 32 16.034 -18.190 -6.254 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.489 -18.191 -7.081 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.511 -19.191 -4.908 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.031 -18.750 -4.156 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.070 -14.783 -4.548 1.00 0.00 H new ATOM 0 HE2 MET A 32 15.753 -16.124 -3.598 1.00 0.00 H new ATOM 0 HE3 MET A 32 15.991 -16.071 -5.360 1.00 0.00 H new ATOM 472 N PRO A 33 15.336 -21.208 -9.004 1.00 0.00 N ATOM 473 CA PRO A 33 15.471 -21.113 -10.463 1.00 0.00 C ATOM 474 C PRO A 33 14.673 -19.941 -11.066 1.00 0.00 C ATOM 475 O PRO A 33 14.977 -19.480 -12.164 1.00 0.00 O ATOM 476 CB PRO A 33 14.989 -22.458 -11.004 1.00 0.00 C ATOM 477 CG PRO A 33 14.082 -22.990 -9.900 1.00 0.00 C ATOM 478 CD PRO A 33 14.704 -22.452 -8.620 1.00 0.00 C ATOM 0 HA PRO A 33 16.505 -20.907 -10.740 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.449 -22.341 -11.944 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.822 -23.133 -11.197 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.057 -22.641 -10.023 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.050 -24.080 -9.901 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.948 -22.290 -7.852 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.430 -23.153 -8.209 1.00 0.00 H new ATOM 486 N ASN A 34 13.655 -19.433 -10.366 1.00 0.00 N ATOM 487 CA ASN A 34 12.799 -18.336 -10.828 1.00 0.00 C ATOM 488 C ASN A 34 12.509 -17.381 -9.689 1.00 0.00 C ATOM 489 O ASN A 34 12.108 -17.813 -8.612 1.00 0.00 O ATOM 490 CB ASN A 34 11.477 -18.822 -11.456 1.00 0.00 C ATOM 491 CG ASN A 34 11.074 -20.246 -11.114 1.00 0.00 C ATOM 492 OD1 ASN A 34 11.622 -21.189 -11.664 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.116 -20.468 -10.238 1.00 0.00 N ATOM 0 H ASN A 34 13.397 -19.780 -9.442 1.00 0.00 H new ATOM 0 HA ASN A 34 13.352 -17.821 -11.613 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.678 -18.151 -11.141 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.557 -18.736 -12.540 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.835 -21.424 -10.021 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.655 -19.684 -9.776 1.00 0.00 H new ATOM 500 N ILE A 35 12.642 -16.079 -9.954 1.00 0.00 N ATOM 501 CA ILE A 35 12.386 -14.998 -8.999 1.00 0.00 C ATOM 502 C ILE A 35 10.940 -15.029 -8.469 1.00 0.00 C ATOM 503 O ILE A 35 10.670 -14.571 -7.359 1.00 0.00 O ATOM 504 CB ILE A 35 12.769 -13.659 -9.674 1.00 0.00 C ATOM 505 CG1 ILE A 35 12.888 -12.514 -8.655 1.00 0.00 C ATOM 506 CG2 ILE A 35 11.831 -13.297 -10.843 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.544 -11.267 -9.262 1.00 0.00 C ATOM 0 H ILE A 35 12.940 -15.737 -10.868 1.00 0.00 H new ATOM 0 HA ILE A 35 13.003 -15.126 -8.110 1.00 0.00 H new ATOM 0 HB ILE A 35 13.759 -13.804 -10.107 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.897 -12.256 -8.282 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.473 -12.850 -7.799 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.144 -12.349 -11.281 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.876 -14.079 -11.601 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.809 -13.206 -10.475 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.607 -10.484 -8.506 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.546 -11.516 -9.611 1.00 0.00 H new ATOM 0 HD13 ILE A 35 12.945 -10.913 -10.101 1.00 0.00 H new ATOM 519 N SER A 36 10.019 -15.647 -9.221 1.00 0.00 N ATOM 520 CA SER A 36 8.639 -15.878 -8.817 1.00 0.00 C ATOM 521 C SER A 36 8.537 -16.568 -7.448 1.00 0.00 C ATOM 522 O SER A 36 7.573 -16.312 -6.737 1.00 0.00 O ATOM 523 CB SER A 36 7.926 -16.666 -9.924 1.00 0.00 C ATOM 524 OG SER A 36 6.526 -16.534 -9.844 1.00 0.00 O ATOM 0 H SER A 36 10.227 -16.007 -10.152 1.00 0.00 H new ATOM 0 HA SER A 36 8.141 -14.917 -8.688 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.269 -16.315 -10.898 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.196 -17.720 -9.851 1.00 0.00 H new ATOM 0 HG SER A 36 6.107 -17.048 -10.566 1.00 0.00 H new ATOM 530 N TYR A 37 9.531 -17.367 -7.029 1.00 0.00 N ATOM 531 CA TYR A 37 9.600 -17.926 -5.679 1.00 0.00 C ATOM 532 C TYR A 37 9.522 -16.806 -4.627 1.00 0.00 C ATOM 533 O TYR A 37 8.661 -16.843 -3.748 1.00 0.00 O ATOM 534 CB TYR A 37 10.907 -18.714 -5.501 1.00 0.00 C ATOM 535 CG TYR A 37 10.895 -20.200 -5.809 1.00 0.00 C ATOM 536 CD1 TYR A 37 10.649 -21.124 -4.775 1.00 0.00 C ATOM 537 CD2 TYR A 37 11.250 -20.674 -7.089 1.00 0.00 C ATOM 538 CE1 TYR A 37 10.834 -22.498 -4.997 1.00 0.00 C ATOM 539 CE2 TYR A 37 11.393 -22.049 -7.325 1.00 0.00 C ATOM 540 CZ TYR A 37 11.230 -22.967 -6.265 1.00 0.00 C ATOM 541 OH TYR A 37 11.470 -24.292 -6.459 1.00 0.00 O ATOM 0 H TYR A 37 10.312 -17.642 -7.625 1.00 0.00 H new ATOM 0 HA TYR A 37 8.753 -18.598 -5.540 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.665 -18.249 -6.132 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.232 -18.590 -4.468 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.317 -20.775 -3.808 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.413 -19.973 -7.894 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.672 -23.199 -4.192 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.628 -22.405 -8.317 1.00 0.00 H new ATOM 0 HH TYR A 37 11.732 -24.444 -7.391 1.00 0.00 H new ATOM 551 N ALA A 38 10.415 -15.816 -4.694 1.00 0.00 N ATOM 552 CA ALA A 38 10.439 -14.731 -3.722 1.00 0.00 C ATOM 553 C ALA A 38 9.174 -13.890 -3.828 1.00 0.00 C ATOM 554 O ALA A 38 8.570 -13.567 -2.812 1.00 0.00 O ATOM 555 CB ALA A 38 11.674 -13.868 -3.930 1.00 0.00 C ATOM 0 H ALA A 38 11.132 -15.747 -5.416 1.00 0.00 H new ATOM 0 HA ALA A 38 10.479 -15.161 -2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.681 -13.060 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.569 -14.478 -3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.658 -13.446 -4.935 1.00 0.00 H new ATOM 561 N TRP A 39 8.750 -13.556 -5.051 1.00 0.00 N ATOM 562 CA TRP A 39 7.525 -12.799 -5.239 1.00 0.00 C ATOM 563 C TRP A 39 6.341 -13.511 -4.578 1.00 0.00 C ATOM 564 O TRP A 39 5.538 -12.852 -3.924 1.00 0.00 O ATOM 565 CB TRP A 39 7.265 -12.554 -6.727 1.00 0.00 C ATOM 566 CG TRP A 39 8.201 -11.610 -7.427 1.00 0.00 C ATOM 567 CD1 TRP A 39 8.984 -11.907 -8.486 1.00 0.00 C ATOM 568 CD2 TRP A 39 8.379 -10.180 -7.204 1.00 0.00 C ATOM 569 NE1 TRP A 39 9.603 -10.759 -8.948 1.00 0.00 N ATOM 570 CE2 TRP A 39 9.225 -9.654 -8.220 1.00 0.00 C ATOM 571 CE3 TRP A 39 7.886 -9.265 -6.255 1.00 0.00 C ATOM 572 CZ2 TRP A 39 9.492 -8.281 -8.338 1.00 0.00 C ATOM 573 CZ3 TRP A 39 8.138 -7.884 -6.359 1.00 0.00 C ATOM 574 CH2 TRP A 39 8.921 -7.390 -7.417 1.00 0.00 C ATOM 0 H TRP A 39 9.237 -13.799 -5.914 1.00 0.00 H new ATOM 0 HA TRP A 39 7.642 -11.829 -4.756 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.301 -13.514 -7.242 1.00 0.00 H new ATOM 0 HB3 TRP A 39 6.250 -12.172 -6.837 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.109 -12.893 -8.909 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.257 -10.735 -9.730 1.00 0.00 H new ATOM 0 HE3 TRP A 39 7.299 -9.632 -5.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.130 -7.915 -9.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 7.730 -7.204 -5.626 1.00 0.00 H new ATOM 0 HH2 TRP A 39 9.083 -6.327 -7.520 1.00 0.00 H new ATOM 585 N LYS A 40 6.226 -14.837 -4.718 1.00 0.00 N ATOM 586 CA LYS A 40 5.187 -15.636 -4.077 1.00 0.00 C ATOM 587 C LYS A 40 5.250 -15.518 -2.566 1.00 0.00 C ATOM 588 O LYS A 40 4.197 -15.326 -1.964 1.00 0.00 O ATOM 589 CB LYS A 40 5.327 -17.115 -4.466 1.00 0.00 C ATOM 590 CG LYS A 40 4.325 -17.581 -5.528 1.00 0.00 C ATOM 591 CD LYS A 40 5.041 -18.352 -6.637 1.00 0.00 C ATOM 592 CE LYS A 40 4.095 -19.357 -7.282 1.00 0.00 C ATOM 593 NZ LYS A 40 4.799 -20.102 -8.334 1.00 0.00 N ATOM 0 H LYS A 40 6.865 -15.389 -5.290 1.00 0.00 H new ATOM 0 HA LYS A 40 4.227 -15.252 -4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.338 -17.288 -4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.204 -17.728 -3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.566 -18.214 -5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.808 -16.720 -5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.412 -17.657 -7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.908 -18.870 -6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.714 -20.047 -6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.234 -18.840 -7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.148 -20.786 -8.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.141 -19.439 -9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.607 -20.609 -7.919 1.00 0.00 H new ATOM 607 N GLU A 41 6.415 -15.709 -1.946 1.00 0.00 N ATOM 608 CA GLU A 41 6.481 -15.698 -0.492 1.00 0.00 C ATOM 609 C GLU A 41 6.179 -14.287 0.003 1.00 0.00 C ATOM 610 O GLU A 41 5.360 -14.143 0.907 1.00 0.00 O ATOM 611 CB GLU A 41 7.827 -16.192 0.050 1.00 0.00 C ATOM 612 CG GLU A 41 7.661 -17.244 1.167 1.00 0.00 C ATOM 613 CD GLU A 41 7.278 -18.655 0.686 1.00 0.00 C ATOM 614 OE1 GLU A 41 7.094 -18.907 -0.536 1.00 0.00 O ATOM 615 OE2 GLU A 41 7.220 -19.588 1.512 1.00 0.00 O ATOM 0 H GLU A 41 7.305 -15.869 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 41 5.735 -16.397 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.409 -16.621 -0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.394 -15.344 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.595 -17.309 1.725 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.898 -16.895 1.863 1.00 0.00 H new ATOM 622 N LEU A 42 6.783 -13.243 -0.589 1.00 0.00 N ATOM 623 CA LEU A 42 6.427 -11.887 -0.211 1.00 0.00 C ATOM 624 C LEU A 42 4.926 -11.650 -0.383 1.00 0.00 C ATOM 625 O LEU A 42 4.324 -11.068 0.506 1.00 0.00 O ATOM 626 CB LEU A 42 7.207 -10.807 -0.992 1.00 0.00 C ATOM 627 CG LEU A 42 8.521 -10.232 -0.429 1.00 0.00 C ATOM 628 CD1 LEU A 42 8.704 -10.402 1.079 1.00 0.00 C ATOM 629 CD2 LEU A 42 9.715 -10.820 -1.176 1.00 0.00 C ATOM 0 H LEU A 42 7.500 -13.318 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 42 6.703 -11.792 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.432 -11.220 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.528 -9.968 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 42 8.460 -9.156 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.656 -9.967 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.892 -9.898 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.694 -11.463 1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.638 -10.406 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.720 -11.904 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.641 -10.570 -2.234 1.00 0.00 H new ATOM 641 N LYS A 43 4.298 -12.089 -1.483 1.00 0.00 N ATOM 642 CA LYS A 43 2.853 -11.919 -1.682 1.00 0.00 C ATOM 643 C LYS A 43 2.038 -12.665 -0.628 1.00 0.00 C ATOM 644 O LYS A 43 0.998 -12.163 -0.207 1.00 0.00 O ATOM 645 CB LYS A 43 2.415 -12.371 -3.089 1.00 0.00 C ATOM 646 CG LYS A 43 2.730 -11.317 -4.163 1.00 0.00 C ATOM 647 CD LYS A 43 2.766 -11.896 -5.576 1.00 0.00 C ATOM 648 CE LYS A 43 3.048 -10.793 -6.606 1.00 0.00 C ATOM 649 NZ LYS A 43 1.815 -10.175 -7.139 1.00 0.00 N ATOM 0 H LYS A 43 4.771 -12.566 -2.251 1.00 0.00 H new ATOM 0 HA LYS A 43 2.656 -10.852 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.917 -13.305 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.344 -12.575 -3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.981 -10.527 -4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.692 -10.856 -3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.535 -12.666 -5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.814 -12.377 -5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.665 -10.022 -6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.624 -11.212 -7.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.066 -9.427 -7.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.243 -10.899 -7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.267 -9.764 -6.357 1.00 0.00 H new ATOM 663 N GLU A 44 2.508 -13.828 -0.175 1.00 0.00 N ATOM 664 CA GLU A 44 1.823 -14.644 0.822 1.00 0.00 C ATOM 665 C GLU A 44 1.712 -13.934 2.172 1.00 0.00 C ATOM 666 O GLU A 44 0.856 -14.277 2.990 1.00 0.00 O ATOM 667 CB GLU A 44 2.575 -15.973 1.012 1.00 0.00 C ATOM 668 CG GLU A 44 1.576 -17.128 1.052 1.00 0.00 C ATOM 669 CD GLU A 44 2.215 -18.449 1.477 1.00 0.00 C ATOM 670 OE1 GLU A 44 3.001 -19.050 0.710 1.00 0.00 O ATOM 671 OE2 GLU A 44 1.827 -18.960 2.557 1.00 0.00 O ATOM 0 H GLU A 44 3.387 -14.233 -0.496 1.00 0.00 H new ATOM 0 HA GLU A 44 0.813 -14.826 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.284 -16.121 0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.152 -15.947 1.936 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.770 -16.881 1.742 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.126 -17.248 0.066 1.00 0.00 H new ATOM 678 N GLN A 45 2.586 -12.955 2.410 1.00 0.00 N ATOM 679 CA GLN A 45 2.594 -12.154 3.618 1.00 0.00 C ATOM 680 C GLN A 45 2.052 -10.753 3.313 1.00 0.00 C ATOM 681 O GLN A 45 1.067 -10.338 3.911 1.00 0.00 O ATOM 682 CB GLN A 45 4.001 -12.145 4.240 1.00 0.00 C ATOM 683 CG GLN A 45 4.622 -13.542 4.444 1.00 0.00 C ATOM 684 CD GLN A 45 3.756 -14.515 5.240 1.00 0.00 C ATOM 685 OE1 GLN A 45 3.368 -15.574 4.752 1.00 0.00 O ATOM 686 NE2 GLN A 45 3.457 -14.195 6.490 1.00 0.00 N ATOM 0 H GLN A 45 3.320 -12.698 1.750 1.00 0.00 H new ATOM 0 HA GLN A 45 1.933 -12.591 4.366 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.662 -11.558 3.603 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.955 -11.638 5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.831 -13.978 3.467 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.579 -13.428 4.953 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.785 -13.313 6.883 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.899 -14.831 7.060 1.00 0.00 H new ATOM 695 N LEU A 46 2.687 -10.002 2.415 1.00 0.00 N ATOM 696 CA LEU A 46 2.451 -8.583 2.137 1.00 0.00 C ATOM 697 C LEU A 46 1.270 -8.328 1.187 1.00 0.00 C ATOM 698 O LEU A 46 1.035 -7.171 0.830 1.00 0.00 O ATOM 699 CB LEU A 46 3.719 -7.969 1.517 1.00 0.00 C ATOM 700 CG LEU A 46 4.992 -8.036 2.379 1.00 0.00 C ATOM 701 CD1 LEU A 46 6.192 -7.616 1.528 1.00 0.00 C ATOM 702 CD2 LEU A 46 4.846 -7.182 3.638 1.00 0.00 C ATOM 0 H LEU A 46 3.424 -10.389 1.826 1.00 0.00 H new ATOM 0 HA LEU A 46 2.202 -8.119 3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.918 -8.473 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.516 -6.924 1.285 1.00 0.00 H new ATOM 0 HG LEU A 46 5.153 -9.059 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.099 -7.660 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.288 -8.290 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.045 -6.597 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.759 -7.247 4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.670 -6.144 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.005 -7.545 4.228 1.00 0.00 H new ATOM 714 N GLY A 47 0.533 -9.363 0.777 1.00 0.00 N ATOM 715 CA GLY A 47 -0.616 -9.261 -0.113 1.00 0.00 C ATOM 716 C GLY A 47 -0.188 -9.438 -1.566 1.00 0.00 C ATOM 717 O GLY A 47 0.967 -9.220 -1.925 1.00 0.00 O ATOM 0 H GLY A 47 0.729 -10.321 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.354 -10.019 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.096 -8.291 0.014 1.00 0.00 H new ATOM 721 N GLU A 48 -1.136 -9.819 -2.425 1.00 0.00 N ATOM 722 CA GLU A 48 -0.875 -10.135 -3.828 1.00 0.00 C ATOM 723 C GLU A 48 -0.629 -8.865 -4.652 1.00 0.00 C ATOM 724 O GLU A 48 -0.277 -8.979 -5.823 1.00 0.00 O ATOM 725 CB GLU A 48 -1.986 -11.024 -4.414 1.00 0.00 C ATOM 726 CG GLU A 48 -1.517 -12.459 -4.722 1.00 0.00 C ATOM 727 CD GLU A 48 -1.106 -12.737 -6.178 1.00 0.00 C ATOM 728 OE1 GLU A 48 -0.377 -11.947 -6.816 1.00 0.00 O ATOM 729 OE2 GLU A 48 -1.463 -13.839 -6.662 1.00 0.00 O ATOM 0 H GLU A 48 -2.116 -9.917 -2.162 1.00 0.00 H new ATOM 0 HA GLU A 48 0.046 -10.716 -3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.819 -11.064 -3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.363 -10.568 -5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.670 -12.689 -4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.319 -13.147 -4.454 1.00 0.00 H new ATOM 736 N GLU A 49 -0.735 -7.669 -4.066 1.00 0.00 N ATOM 737 CA GLU A 49 -0.474 -6.394 -4.697 1.00 0.00 C ATOM 738 C GLU A 49 0.610 -5.688 -3.900 1.00 0.00 C ATOM 739 O GLU A 49 0.352 -4.816 -3.061 1.00 0.00 O ATOM 740 CB GLU A 49 -1.767 -5.599 -4.757 1.00 0.00 C ATOM 741 CG GLU A 49 -2.742 -6.250 -5.734 1.00 0.00 C ATOM 742 CD GLU A 49 -3.873 -5.314 -6.104 1.00 0.00 C ATOM 743 OE1 GLU A 49 -4.550 -4.803 -5.188 1.00 0.00 O ATOM 744 OE2 GLU A 49 -4.056 -5.079 -7.332 1.00 0.00 O ATOM 0 H GLU A 49 -1.020 -7.571 -3.091 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.120 -6.512 -5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.216 -5.546 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.559 -4.575 -5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.208 -6.550 -6.636 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.151 -7.157 -5.290 1.00 0.00 H new ATOM 751 N ILE A 50 1.827 -6.169 -4.121 1.00 0.00 N ATOM 752 CA ILE A 50 3.043 -5.625 -3.526 1.00 0.00 C ATOM 753 C ILE A 50 4.103 -5.296 -4.591 1.00 0.00 C ATOM 754 O ILE A 50 4.921 -4.400 -4.389 1.00 0.00 O ATOM 755 CB ILE A 50 3.515 -6.601 -2.429 1.00 0.00 C ATOM 756 CG1 ILE A 50 4.649 -6.022 -1.576 1.00 0.00 C ATOM 757 CG2 ILE A 50 3.951 -7.971 -2.978 1.00 0.00 C ATOM 758 CD1 ILE A 50 4.219 -4.771 -0.815 1.00 0.00 C ATOM 0 H ILE A 50 2.001 -6.966 -4.733 1.00 0.00 H new ATOM 0 HA ILE A 50 2.846 -4.663 -3.053 1.00 0.00 H new ATOM 0 HB ILE A 50 2.636 -6.749 -1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.990 -6.777 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.497 -5.781 -2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.271 -8.608 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.113 -8.439 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.778 -7.837 -3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.056 -4.398 -0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.904 -4.005 -1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.389 -5.016 -0.152 1.00 0.00 H new ATOM 770 N ASP A 51 4.066 -5.959 -5.752 1.00 0.00 N ATOM 771 CA ASP A 51 5.042 -5.831 -6.837 1.00 0.00 C ATOM 772 C ASP A 51 5.179 -4.391 -7.337 1.00 0.00 C ATOM 773 O ASP A 51 6.314 -3.934 -7.483 1.00 0.00 O ATOM 774 CB ASP A 51 4.724 -6.796 -7.992 1.00 0.00 C ATOM 775 CG ASP A 51 3.248 -6.779 -8.372 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.785 -5.831 -9.041 1.00 0.00 O ATOM 777 OD2 ASP A 51 2.535 -7.699 -7.910 1.00 0.00 O ATOM 0 H ASP A 51 3.325 -6.626 -5.969 1.00 0.00 H new ATOM 0 HA ASP A 51 6.010 -6.110 -6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.324 -6.528 -8.862 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.011 -7.808 -7.706 1.00 0.00 H new ATOM 782 N SER A 52 4.089 -3.633 -7.511 1.00 0.00 N ATOM 783 CA SER A 52 4.174 -2.261 -8.017 1.00 0.00 C ATOM 784 C SER A 52 4.976 -1.370 -7.065 1.00 0.00 C ATOM 785 O SER A 52 5.531 -0.355 -7.493 1.00 0.00 O ATOM 786 CB SER A 52 2.781 -1.674 -8.245 1.00 0.00 C ATOM 787 OG SER A 52 2.357 -1.781 -9.590 1.00 0.00 O ATOM 0 H SER A 52 3.140 -3.948 -7.309 1.00 0.00 H new ATOM 0 HA SER A 52 4.695 -2.295 -8.974 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.066 -2.186 -7.601 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.781 -0.624 -7.951 1.00 0.00 H new ATOM 0 HG SER A 52 1.462 -1.394 -9.683 1.00 0.00 H new ATOM 793 N LYS A 53 5.047 -1.730 -5.778 1.00 0.00 N ATOM 794 CA LYS A 53 5.715 -0.922 -4.771 1.00 0.00 C ATOM 795 C LYS A 53 7.233 -1.118 -4.816 1.00 0.00 C ATOM 796 O LYS A 53 7.952 -0.240 -4.326 1.00 0.00 O ATOM 797 CB LYS A 53 5.159 -1.242 -3.375 1.00 0.00 C ATOM 798 CG LYS A 53 3.631 -1.072 -3.281 1.00 0.00 C ATOM 799 CD LYS A 53 3.155 -1.197 -1.827 1.00 0.00 C ATOM 800 CE LYS A 53 1.827 -1.957 -1.713 1.00 0.00 C ATOM 801 NZ LYS A 53 0.662 -1.112 -2.020 1.00 0.00 N ATOM 0 H LYS A 53 4.640 -2.591 -5.413 1.00 0.00 H new ATOM 0 HA LYS A 53 5.515 0.127 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.422 -2.267 -3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.637 -0.592 -2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.344 -0.099 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.139 -1.826 -3.895 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.917 -1.711 -1.240 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.040 -0.202 -1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.841 -2.810 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.726 -2.355 -0.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.208 -1.674 -1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.629 -0.312 -1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.741 -0.752 -2.993 1.00 0.00 H new ATOM 815 N VAL A 54 7.730 -2.214 -5.395 1.00 0.00 N ATOM 816 CA VAL A 54 9.141 -2.603 -5.396 1.00 0.00 C ATOM 817 C VAL A 54 9.853 -1.972 -6.606 1.00 0.00 C ATOM 818 O VAL A 54 9.198 -1.447 -7.517 1.00 0.00 O ATOM 819 CB VAL A 54 9.197 -4.149 -5.369 1.00 0.00 C ATOM 820 CG1 VAL A 54 10.624 -4.703 -5.411 1.00 0.00 C ATOM 821 CG2 VAL A 54 8.534 -4.692 -4.092 1.00 0.00 C ATOM 0 H VAL A 54 7.139 -2.879 -5.894 1.00 0.00 H new ATOM 0 HA VAL A 54 9.672 -2.234 -4.519 1.00 0.00 H new ATOM 0 HB VAL A 54 8.667 -4.473 -6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.592 -5.792 -5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.116 -4.372 -6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.181 -4.339 -4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.583 -5.781 -4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.057 -4.305 -3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.491 -4.376 -4.061 1.00 0.00 H new ATOM 831 N LYS A 55 11.196 -1.949 -6.625 1.00 0.00 N ATOM 832 CA LYS A 55 11.954 -1.245 -7.674 1.00 0.00 C ATOM 833 C LYS A 55 12.378 -2.042 -8.891 1.00 0.00 C ATOM 834 O LYS A 55 12.875 -1.456 -9.853 1.00 0.00 O ATOM 835 CB LYS A 55 13.153 -0.519 -7.067 1.00 0.00 C ATOM 836 CG LYS A 55 12.706 0.759 -6.358 1.00 0.00 C ATOM 837 CD LYS A 55 13.558 2.004 -6.640 1.00 0.00 C ATOM 838 CE LYS A 55 12.660 3.204 -6.985 1.00 0.00 C ATOM 839 NZ LYS A 55 13.074 4.484 -6.372 1.00 0.00 N ATOM 0 H LYS A 55 11.779 -2.409 -5.926 1.00 0.00 H new ATOM 0 HA LYS A 55 11.224 -0.544 -8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.662 -1.174 -6.360 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.871 -0.275 -7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.676 0.972 -6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.706 0.576 -5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.170 2.238 -5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.242 1.805 -7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.640 3.326 -8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.641 2.980 -6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.825 5.269 -7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.586 4.607 -5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.102 4.478 -6.216 1.00 0.00 H new ATOM 853 N GLY A 56 12.129 -3.332 -8.872 1.00 0.00 N ATOM 854 CA GLY A 56 12.613 -4.249 -9.888 1.00 0.00 C ATOM 855 C GLY A 56 13.645 -5.154 -9.256 1.00 0.00 C ATOM 856 O GLY A 56 14.835 -5.051 -9.558 1.00 0.00 O ATOM 0 H GLY A 56 11.578 -3.783 -8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.789 -4.837 -10.293 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.050 -3.697 -10.720 1.00 0.00 H new ATOM 860 N MET A 57 13.154 -5.990 -8.341 1.00 0.00 N ATOM 861 CA MET A 57 13.901 -7.045 -7.637 1.00 0.00 C ATOM 862 C MET A 57 14.805 -7.838 -8.599 1.00 0.00 C ATOM 863 O MET A 57 14.408 -8.105 -9.738 1.00 0.00 O ATOM 864 CB MET A 57 12.862 -8.004 -7.010 1.00 0.00 C ATOM 865 CG MET A 57 13.449 -9.132 -6.115 1.00 0.00 C ATOM 866 SD MET A 57 12.275 -10.459 -5.714 1.00 0.00 S ATOM 867 CE MET A 57 10.923 -9.530 -4.942 1.00 0.00 C ATOM 0 H MET A 57 12.176 -5.952 -8.053 1.00 0.00 H new ATOM 0 HA MET A 57 14.543 -6.592 -6.881 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.164 -7.416 -6.413 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.286 -8.464 -7.813 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.312 -9.567 -6.619 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.811 -8.691 -5.186 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.056 -10.180 -4.823 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.242 -9.168 -3.964 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.657 -8.682 -5.573 1.00 0.00 H new ATOM 877 N VAL A 58 15.981 -8.251 -8.121 1.00 0.00 N ATOM 878 CA VAL A 58 16.953 -9.020 -8.885 1.00 0.00 C ATOM 879 C VAL A 58 17.572 -10.126 -8.024 1.00 0.00 C ATOM 880 O VAL A 58 17.489 -10.122 -6.788 1.00 0.00 O ATOM 881 CB VAL A 58 18.040 -8.095 -9.485 1.00 0.00 C ATOM 882 CG1 VAL A 58 17.492 -7.192 -10.591 1.00 0.00 C ATOM 883 CG2 VAL A 58 18.737 -7.225 -8.427 1.00 0.00 C ATOM 0 H VAL A 58 16.287 -8.053 -7.168 1.00 0.00 H new ATOM 0 HA VAL A 58 16.433 -9.499 -9.714 1.00 0.00 H new ATOM 0 HB VAL A 58 18.777 -8.774 -9.913 1.00 0.00 H new ATOM 0 HG11 VAL A 58 18.294 -6.563 -10.978 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.091 -7.806 -11.397 1.00 0.00 H new ATOM 0 HG13 VAL A 58 16.700 -6.562 -10.187 1.00 0.00 H new ATOM 0 HG21 VAL A 58 19.488 -6.599 -8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.000 -6.592 -7.933 1.00 0.00 H new ATOM 0 HG23 VAL A 58 19.218 -7.866 -7.688 1.00 0.00 H new ATOM 893 N PHE A 59 18.202 -11.085 -8.700 1.00 0.00 N ATOM 894 CA PHE A 59 18.895 -12.212 -8.107 1.00 0.00 C ATOM 895 C PHE A 59 20.233 -11.841 -7.498 1.00 0.00 C ATOM 896 O PHE A 59 20.872 -10.873 -7.907 1.00 0.00 O ATOM 897 CB PHE A 59 19.111 -13.270 -9.180 1.00 0.00 C ATOM 898 CG PHE A 59 17.978 -14.256 -9.260 1.00 0.00 C ATOM 899 CD1 PHE A 59 17.987 -15.338 -8.370 1.00 0.00 C ATOM 900 CD2 PHE A 59 16.982 -14.157 -10.252 1.00 0.00 C ATOM 901 CE1 PHE A 59 17.030 -16.346 -8.504 1.00 0.00 C ATOM 902 CE2 PHE A 59 16.048 -15.196 -10.411 1.00 0.00 C ATOM 903 CZ PHE A 59 16.075 -16.294 -9.534 1.00 0.00 C ATOM 0 H PHE A 59 18.241 -11.092 -9.719 1.00 0.00 H new ATOM 0 HA PHE A 59 18.272 -12.585 -7.294 1.00 0.00 H new ATOM 0 HB2 PHE A 59 19.231 -12.782 -10.147 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.039 -13.805 -8.976 1.00 0.00 H new ATOM 0 HD1 PHE A 59 18.728 -15.392 -7.586 1.00 0.00 H new ATOM 0 HD2 PHE A 59 16.936 -13.286 -10.888 1.00 0.00 H new ATOM 0 HE1 PHE A 59 17.024 -17.173 -7.810 1.00 0.00 H new ATOM 0 HE2 PHE A 59 15.314 -15.151 -11.202 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.363 -17.097 -9.651 1.00 0.00 H new ATOM 913 N LEU A 60 20.697 -12.704 -6.591 1.00 0.00 N ATOM 914 CA LEU A 60 22.041 -12.662 -6.047 1.00 0.00 C ATOM 915 C LEU A 60 22.949 -13.649 -6.769 1.00 0.00 C ATOM 916 O LEU A 60 22.532 -14.717 -7.225 1.00 0.00 O ATOM 917 CB LEU A 60 22.019 -13.058 -4.563 1.00 0.00 C ATOM 918 CG LEU A 60 21.185 -12.143 -3.660 1.00 0.00 C ATOM 919 CD1 LEU A 60 21.119 -12.776 -2.272 1.00 0.00 C ATOM 920 CD2 LEU A 60 21.710 -10.704 -3.592 1.00 0.00 C ATOM 0 H LEU A 60 20.132 -13.464 -6.212 1.00 0.00 H new ATOM 0 HA LEU A 60 22.416 -11.646 -6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 60 21.634 -14.074 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 60 23.044 -13.074 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 60 20.187 -12.056 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 60 20.529 -12.141 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 60 20.653 -13.759 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 60 22.127 -12.880 -1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 60 21.071 -10.114 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.728 -10.706 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 60 21.705 -10.267 -4.591 1.00 0.00 H new ATOM 932 N LYS A 61 24.240 -13.346 -6.672 1.00 0.00 N ATOM 933 CA LYS A 61 25.406 -14.172 -6.963 1.00 0.00 C ATOM 934 C LYS A 61 25.448 -15.531 -6.253 1.00 0.00 C ATOM 935 O LYS A 61 26.269 -16.382 -6.602 1.00 0.00 O ATOM 936 CB LYS A 61 26.661 -13.339 -6.619 1.00 0.00 C ATOM 937 CG LYS A 61 26.748 -12.899 -5.136 1.00 0.00 C ATOM 938 CD LYS A 61 26.164 -11.510 -4.795 1.00 0.00 C ATOM 939 CE LYS A 61 26.168 -11.343 -3.264 1.00 0.00 C ATOM 940 NZ LYS A 61 26.087 -9.940 -2.803 1.00 0.00 N ATOM 0 H LYS A 61 24.524 -12.419 -6.354 1.00 0.00 H new ATOM 0 HA LYS A 61 25.358 -14.434 -8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 61 27.548 -13.922 -6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 61 26.678 -12.451 -7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 61 26.234 -13.644 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 61 27.796 -12.911 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 61 26.756 -10.724 -5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 61 25.150 -11.419 -5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 61 25.328 -11.899 -2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 61 27.077 -11.792 -2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 26.095 -9.915 -1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 26.902 -9.407 -3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 25.207 -9.510 -3.153 1.00 0.00 H new ATOM 954 N GLY A 62 24.591 -15.730 -5.254 1.00 0.00 N ATOM 955 CA GLY A 62 24.608 -16.890 -4.371 1.00 0.00 C ATOM 956 C GLY A 62 23.547 -17.918 -4.654 1.00 0.00 C ATOM 957 O GLY A 62 23.518 -18.859 -3.884 1.00 0.00 O ATOM 0 H GLY A 62 23.846 -15.070 -5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.585 -17.368 -4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.496 -16.547 -3.343 1.00 0.00 H new ATOM 961 N LYS A 63 22.653 -17.759 -5.644 1.00 0.00 N ATOM 962 CA LYS A 63 21.610 -18.746 -5.997 1.00 0.00 C ATOM 963 C LYS A 63 20.519 -18.973 -4.930 1.00 0.00 C ATOM 964 O LYS A 63 19.473 -19.547 -5.244 1.00 0.00 O ATOM 965 CB LYS A 63 22.281 -20.099 -6.332 1.00 0.00 C ATOM 966 CG LYS A 63 21.882 -20.696 -7.680 1.00 0.00 C ATOM 967 CD LYS A 63 22.496 -19.943 -8.870 1.00 0.00 C ATOM 968 CE LYS A 63 22.494 -20.881 -10.082 1.00 0.00 C ATOM 969 NZ LYS A 63 23.828 -21.068 -10.678 1.00 0.00 N ATOM 0 H LYS A 63 22.632 -16.927 -6.234 1.00 0.00 H new ATOM 0 HA LYS A 63 21.091 -18.320 -6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 63 23.363 -19.966 -6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 63 22.036 -20.814 -5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 63 22.194 -21.740 -7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 63 20.796 -20.685 -7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.923 -19.041 -9.086 1.00 0.00 H new ATOM 0 HD3 LYS A 63 23.512 -19.626 -8.636 1.00 0.00 H new ATOM 0 HE2 LYS A 63 22.099 -21.851 -9.781 1.00 0.00 H new ATOM 0 HE3 LYS A 63 21.818 -20.483 -10.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.758 -21.712 -11.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 24.199 -20.149 -10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 24.471 -21.475 -9.969 1.00 0.00 H new ATOM 983 N LEU A 64 20.720 -18.515 -3.691 1.00 0.00 N ATOM 984 CA LEU A 64 19.941 -18.830 -2.483 1.00 0.00 C ATOM 985 C LEU A 64 19.439 -17.529 -1.836 1.00 0.00 C ATOM 986 O LEU A 64 19.291 -17.429 -0.616 1.00 0.00 O ATOM 987 CB LEU A 64 20.784 -19.680 -1.508 1.00 0.00 C ATOM 988 CG LEU A 64 21.578 -20.837 -2.160 1.00 0.00 C ATOM 989 CD1 LEU A 64 22.636 -21.406 -1.218 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.679 -21.952 -2.697 1.00 0.00 C ATOM 0 H LEU A 64 21.483 -17.870 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 64 19.068 -19.424 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.486 -19.024 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 64 20.122 -20.097 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 64 22.087 -20.396 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 64 23.169 -22.216 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 64 23.341 -20.621 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 64 22.154 -21.789 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 64 21.295 -22.734 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 64 20.093 -22.373 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.007 -21.545 -3.453 1.00 0.00 H new ATOM 1002 N GLY A 65 19.220 -16.495 -2.649 1.00 0.00 N ATOM 1003 CA GLY A 65 18.567 -15.276 -2.242 1.00 0.00 C ATOM 1004 C GLY A 65 18.406 -14.339 -3.428 1.00 0.00 C ATOM 1005 O GLY A 65 18.920 -14.576 -4.527 1.00 0.00 O ATOM 0 H GLY A 65 19.503 -16.494 -3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.590 -15.504 -1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.149 -14.787 -1.461 1.00 0.00 H new ATOM 1009 N VAL A 66 17.723 -13.237 -3.166 1.00 0.00 N ATOM 1010 CA VAL A 66 17.421 -12.131 -4.068 1.00 0.00 C ATOM 1011 C VAL A 66 17.527 -10.855 -3.212 1.00 0.00 C ATOM 1012 O VAL A 66 17.667 -10.929 -1.983 1.00 0.00 O ATOM 1013 CB VAL A 66 16.026 -12.349 -4.709 1.00 0.00 C ATOM 1014 CG1 VAL A 66 16.042 -13.188 -5.995 1.00 0.00 C ATOM 1015 CG2 VAL A 66 14.934 -12.595 -3.673 1.00 0.00 C ATOM 0 H VAL A 66 17.331 -13.077 -2.238 1.00 0.00 H new ATOM 0 HA VAL A 66 18.110 -12.053 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 66 15.701 -11.400 -5.136 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.026 -13.290 -6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 66 16.662 -12.694 -6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 66 16.450 -14.176 -5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.979 -12.741 -4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.177 -13.485 -3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.864 -11.735 -3.007 1.00 0.00 H new ATOM 1025 N CYS A 67 17.495 -9.683 -3.832 1.00 0.00 N ATOM 1026 CA CYS A 67 17.446 -8.387 -3.165 1.00 0.00 C ATOM 1027 C CYS A 67 16.548 -7.440 -3.967 1.00 0.00 C ATOM 1028 O CYS A 67 16.357 -7.649 -5.172 1.00 0.00 O ATOM 1029 CB CYS A 67 18.875 -7.835 -3.023 1.00 0.00 C ATOM 1030 SG CYS A 67 19.741 -7.804 -4.623 1.00 0.00 S ATOM 0 H CYS A 67 17.503 -9.605 -4.849 1.00 0.00 H new ATOM 0 HA CYS A 67 17.023 -8.486 -2.165 1.00 0.00 H new ATOM 0 HB2 CYS A 67 18.837 -6.827 -2.609 1.00 0.00 H new ATOM 0 HB3 CYS A 67 19.435 -8.449 -2.317 1.00 0.00 H new ATOM 0 HG CYS A 67 20.940 -7.330 -4.458 1.00 0.00 H new ATOM 1036 N PHE A 68 16.018 -6.393 -3.331 1.00 0.00 N ATOM 1037 CA PHE A 68 15.269 -5.349 -4.025 1.00 0.00 C ATOM 1038 C PHE A 68 15.292 -4.038 -3.260 1.00 0.00 C ATOM 1039 O PHE A 68 15.380 -4.068 -2.037 1.00 0.00 O ATOM 1040 CB PHE A 68 13.815 -5.771 -4.229 1.00 0.00 C ATOM 1041 CG PHE A 68 13.013 -6.083 -2.981 1.00 0.00 C ATOM 1042 CD1 PHE A 68 12.353 -5.058 -2.286 1.00 0.00 C ATOM 1043 CD2 PHE A 68 12.893 -7.409 -2.534 1.00 0.00 C ATOM 1044 CE1 PHE A 68 11.545 -5.358 -1.176 1.00 0.00 C ATOM 1045 CE2 PHE A 68 12.085 -7.706 -1.426 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.404 -6.686 -0.745 1.00 0.00 C ATOM 0 H PHE A 68 16.097 -6.247 -2.325 1.00 0.00 H new ATOM 0 HA PHE A 68 15.753 -5.203 -4.991 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.303 -4.976 -4.772 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.804 -6.653 -4.870 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.467 -4.033 -2.606 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.423 -8.200 -3.043 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.031 -4.565 -0.653 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.986 -8.729 -1.094 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.777 -6.920 0.103 1.00 0.00 H new ATOM 1056 N ASP A 69 15.119 -2.914 -3.960 1.00 0.00 N ATOM 1057 CA ASP A 69 14.934 -1.598 -3.344 1.00 0.00 C ATOM 1058 C ASP A 69 13.440 -1.337 -3.085 1.00 0.00 C ATOM 1059 O ASP A 69 12.593 -1.741 -3.898 1.00 0.00 O ATOM 1060 CB ASP A 69 15.519 -0.492 -4.240 1.00 0.00 C ATOM 1061 CG ASP A 69 16.956 -0.120 -3.885 1.00 0.00 C ATOM 1062 OD1 ASP A 69 17.881 -0.836 -4.334 1.00 0.00 O ATOM 1063 OD2 ASP A 69 17.153 0.941 -3.254 1.00 0.00 O ATOM 0 H ASP A 69 15.103 -2.892 -4.980 1.00 0.00 H new ATOM 0 HA ASP A 69 15.464 -1.586 -2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 69 15.483 -0.819 -5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 69 14.892 0.396 -4.164 1.00 0.00 H new ATOM 1068 N VAL A 70 13.096 -0.615 -2.007 1.00 0.00 N ATOM 1069 CA VAL A 70 11.728 -0.166 -1.680 1.00 0.00 C ATOM 1070 C VAL A 70 11.762 1.205 -0.991 1.00 0.00 C ATOM 1071 O VAL A 70 12.801 1.567 -0.441 1.00 0.00 O ATOM 1072 CB VAL A 70 10.994 -1.165 -0.758 1.00 0.00 C ATOM 1073 CG1 VAL A 70 10.141 -2.129 -1.586 1.00 0.00 C ATOM 1074 CG2 VAL A 70 11.920 -1.910 0.203 1.00 0.00 C ATOM 0 H VAL A 70 13.783 -0.316 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 70 11.186 -0.100 -2.623 1.00 0.00 H new ATOM 0 HB VAL A 70 10.337 -0.575 -0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.631 -2.826 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.403 -1.564 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.781 -2.684 -2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.333 -2.593 0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.656 -2.476 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.432 -1.193 0.845 1.00 0.00 H new ATOM 1084 N PRO A 71 10.654 1.978 -1.006 1.00 0.00 N ATOM 1085 CA PRO A 71 10.616 3.309 -0.415 1.00 0.00 C ATOM 1086 C PRO A 71 10.719 3.209 1.099 1.00 0.00 C ATOM 1087 O PRO A 71 9.886 2.561 1.735 1.00 0.00 O ATOM 1088 CB PRO A 71 9.266 3.919 -0.799 1.00 0.00 C ATOM 1089 CG PRO A 71 8.395 2.692 -1.037 1.00 0.00 C ATOM 1090 CD PRO A 71 9.364 1.662 -1.605 1.00 0.00 C ATOM 0 HA PRO A 71 11.445 3.920 -0.772 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.867 4.550 -0.005 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.342 4.540 -1.692 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.936 2.342 -0.112 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.585 2.906 -1.734 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.052 0.648 -1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.410 1.722 -2.692 1.00 0.00 H new ATOM 1098 N THR A 72 11.670 3.926 1.678 1.00 0.00 N ATOM 1099 CA THR A 72 11.946 3.939 3.105 1.00 0.00 C ATOM 1100 C THR A 72 10.690 4.257 3.937 1.00 0.00 C ATOM 1101 O THR A 72 10.509 3.703 5.019 1.00 0.00 O ATOM 1102 CB THR A 72 13.102 4.928 3.320 1.00 0.00 C ATOM 1103 OG1 THR A 72 14.156 4.552 2.453 1.00 0.00 O ATOM 1104 CG2 THR A 72 13.587 4.955 4.761 1.00 0.00 C ATOM 0 H THR A 72 12.292 4.536 1.148 1.00 0.00 H new ATOM 0 HA THR A 72 12.243 2.952 3.459 1.00 0.00 H new ATOM 0 HB THR A 72 12.750 5.936 3.099 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.909 5.168 2.567 1.00 0.00 H new ATOM 0 HG21 THR A 72 14.404 5.670 4.857 1.00 0.00 H new ATOM 0 HG22 THR A 72 12.767 5.251 5.415 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.938 3.963 5.045 1.00 0.00 H new ATOM 1112 N ALA A 73 9.767 5.081 3.427 1.00 0.00 N ATOM 1113 CA ALA A 73 8.537 5.406 4.147 1.00 0.00 C ATOM 1114 C ALA A 73 7.626 4.184 4.347 1.00 0.00 C ATOM 1115 O ALA A 73 6.857 4.159 5.309 1.00 0.00 O ATOM 1116 CB ALA A 73 7.798 6.503 3.386 1.00 0.00 C ATOM 0 H ALA A 73 9.852 5.534 2.517 1.00 0.00 H new ATOM 0 HA ALA A 73 8.810 5.752 5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.878 6.755 3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.431 7.388 3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.557 6.151 2.383 1.00 0.00 H new ATOM 1122 N SER A 74 7.724 3.175 3.474 1.00 0.00 N ATOM 1123 CA SER A 74 6.956 1.936 3.574 1.00 0.00 C ATOM 1124 C SER A 74 7.770 0.768 4.136 1.00 0.00 C ATOM 1125 O SER A 74 7.209 -0.306 4.340 1.00 0.00 O ATOM 1126 CB SER A 74 6.398 1.566 2.198 1.00 0.00 C ATOM 1127 OG SER A 74 5.763 2.682 1.598 1.00 0.00 O ATOM 0 H SER A 74 8.349 3.200 2.668 1.00 0.00 H new ATOM 0 HA SER A 74 6.144 2.120 4.278 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.205 1.212 1.556 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.686 0.746 2.297 1.00 0.00 H new ATOM 0 HG SER A 74 5.414 2.426 0.719 1.00 0.00 H new ATOM 1133 N VAL A 75 9.071 0.921 4.395 1.00 0.00 N ATOM 1134 CA VAL A 75 9.893 -0.192 4.871 1.00 0.00 C ATOM 1135 C VAL A 75 9.383 -0.718 6.210 1.00 0.00 C ATOM 1136 O VAL A 75 9.292 -1.937 6.387 1.00 0.00 O ATOM 1137 CB VAL A 75 11.381 0.192 4.888 1.00 0.00 C ATOM 1138 CG1 VAL A 75 12.269 -0.836 5.602 1.00 0.00 C ATOM 1139 CG2 VAL A 75 11.885 0.291 3.443 1.00 0.00 C ATOM 0 H VAL A 75 9.575 1.801 4.284 1.00 0.00 H new ATOM 0 HA VAL A 75 9.803 -1.022 4.170 1.00 0.00 H new ATOM 0 HB VAL A 75 11.448 1.137 5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.306 -0.501 5.576 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.946 -0.938 6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.186 -1.800 5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.940 0.563 3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.759 -0.671 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.315 1.052 2.910 1.00 0.00 H new ATOM 1149 N THR A 76 8.993 0.173 7.124 1.00 0.00 N ATOM 1150 CA THR A 76 8.524 -0.268 8.426 1.00 0.00 C ATOM 1151 C THR A 76 7.249 -1.108 8.277 1.00 0.00 C ATOM 1152 O THR A 76 7.128 -2.141 8.939 1.00 0.00 O ATOM 1153 CB THR A 76 8.329 0.941 9.360 1.00 0.00 C ATOM 1154 OG1 THR A 76 9.475 1.768 9.352 1.00 0.00 O ATOM 1155 CG2 THR A 76 8.097 0.564 10.822 1.00 0.00 C ATOM 0 H THR A 76 8.994 1.184 6.985 1.00 0.00 H new ATOM 0 HA THR A 76 9.276 -0.909 8.885 1.00 0.00 H new ATOM 0 HB THR A 76 7.444 1.444 8.971 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.332 2.531 9.950 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.969 1.469 11.415 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.201 -0.052 10.901 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.955 0.005 11.194 1.00 0.00 H new ATOM 1163 N GLU A 77 6.354 -0.725 7.362 1.00 0.00 N ATOM 1164 CA GLU A 77 5.109 -1.427 7.081 1.00 0.00 C ATOM 1165 C GLU A 77 5.394 -2.876 6.693 1.00 0.00 C ATOM 1166 O GLU A 77 4.789 -3.777 7.272 1.00 0.00 O ATOM 1167 CB GLU A 77 4.335 -0.672 5.986 1.00 0.00 C ATOM 1168 CG GLU A 77 2.953 -1.253 5.643 1.00 0.00 C ATOM 1169 CD GLU A 77 2.330 -0.396 4.537 1.00 0.00 C ATOM 1170 OE1 GLU A 77 1.950 0.762 4.808 1.00 0.00 O ATOM 1171 OE2 GLU A 77 2.312 -0.853 3.358 1.00 0.00 O ATOM 0 H GLU A 77 6.484 0.105 6.783 1.00 0.00 H new ATOM 0 HA GLU A 77 4.486 -1.454 7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.208 0.364 6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.940 -0.657 5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.048 -2.288 5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.313 -1.257 6.526 1.00 0.00 H new ATOM 1178 N ILE A 78 6.335 -3.091 5.763 1.00 0.00 N ATOM 1179 CA ILE A 78 6.735 -4.404 5.247 1.00 0.00 C ATOM 1180 C ILE A 78 7.149 -5.306 6.405 1.00 0.00 C ATOM 1181 O ILE A 78 6.629 -6.408 6.539 1.00 0.00 O ATOM 1182 CB ILE A 78 7.888 -4.275 4.220 1.00 0.00 C ATOM 1183 CG1 ILE A 78 7.523 -3.396 3.006 1.00 0.00 C ATOM 1184 CG2 ILE A 78 8.285 -5.658 3.689 1.00 0.00 C ATOM 1185 CD1 ILE A 78 8.775 -2.881 2.287 1.00 0.00 C ATOM 0 H ILE A 78 6.857 -2.326 5.335 1.00 0.00 H new ATOM 0 HA ILE A 78 5.883 -4.848 4.733 1.00 0.00 H new ATOM 0 HB ILE A 78 8.711 -3.802 4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.913 -3.971 2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.919 -2.551 3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.096 -5.552 2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.615 -6.285 4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.426 -6.121 3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.479 -2.266 1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.371 -2.284 2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.366 -3.726 1.935 1.00 0.00 H new ATOM 1197 N GLN A 79 8.110 -4.873 7.220 1.00 0.00 N ATOM 1198 CA GLN A 79 8.691 -5.743 8.236 1.00 0.00 C ATOM 1199 C GLN A 79 7.669 -6.091 9.319 1.00 0.00 C ATOM 1200 O GLN A 79 7.649 -7.224 9.799 1.00 0.00 O ATOM 1201 CB GLN A 79 9.946 -5.104 8.815 1.00 0.00 C ATOM 1202 CG GLN A 79 11.007 -4.924 7.720 1.00 0.00 C ATOM 1203 CD GLN A 79 12.384 -4.943 8.350 1.00 0.00 C ATOM 1204 OE1 GLN A 79 12.647 -4.174 9.269 1.00 0.00 O ATOM 1205 NE2 GLN A 79 13.268 -5.814 7.891 1.00 0.00 N ATOM 0 H GLN A 79 8.499 -3.931 7.196 1.00 0.00 H new ATOM 0 HA GLN A 79 8.980 -6.684 7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.700 -4.137 9.255 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.343 -5.727 9.616 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.922 -5.720 6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.848 -3.982 7.194 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.017 -6.440 7.125 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.200 -5.860 8.303 1.00 0.00 H new ATOM 1214 N GLU A 80 6.769 -5.158 9.646 1.00 0.00 N ATOM 1215 CA GLU A 80 5.648 -5.408 10.536 1.00 0.00 C ATOM 1216 C GLU A 80 4.637 -6.394 9.933 1.00 0.00 C ATOM 1217 O GLU A 80 3.863 -6.984 10.684 1.00 0.00 O ATOM 1218 CB GLU A 80 4.969 -4.071 10.904 1.00 0.00 C ATOM 1219 CG GLU A 80 5.361 -3.599 12.309 1.00 0.00 C ATOM 1220 CD GLU A 80 4.600 -2.348 12.748 1.00 0.00 C ATOM 1221 OE1 GLU A 80 5.019 -1.230 12.378 1.00 0.00 O ATOM 1222 OE2 GLU A 80 3.584 -2.489 13.479 1.00 0.00 O ATOM 0 H GLU A 80 6.805 -4.202 9.293 1.00 0.00 H new ATOM 0 HA GLU A 80 6.034 -5.876 11.442 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.247 -3.310 10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.887 -4.186 10.848 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.174 -4.402 13.022 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.431 -3.395 12.333 1.00 0.00 H new ATOM 1229 N LYS A 81 4.624 -6.586 8.608 1.00 0.00 N ATOM 1230 CA LYS A 81 3.640 -7.407 7.899 1.00 0.00 C ATOM 1231 C LYS A 81 4.214 -8.707 7.361 1.00 0.00 C ATOM 1232 O LYS A 81 3.441 -9.571 6.935 1.00 0.00 O ATOM 1233 CB LYS A 81 2.983 -6.573 6.779 1.00 0.00 C ATOM 1234 CG LYS A 81 1.947 -5.582 7.333 1.00 0.00 C ATOM 1235 CD LYS A 81 0.515 -6.135 7.412 1.00 0.00 C ATOM 1236 CE LYS A 81 0.458 -7.522 8.066 1.00 0.00 C ATOM 1237 NZ LYS A 81 -0.874 -8.151 7.974 1.00 0.00 N ATOM 0 H LYS A 81 5.314 -6.164 7.987 1.00 0.00 H new ATOM 0 HA LYS A 81 2.882 -7.705 8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.753 -6.026 6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.501 -7.241 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.258 -5.270 8.330 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.945 -4.690 6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.108 -5.443 7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.095 -6.192 6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.193 -8.171 7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.740 -7.434 9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.850 -9.084 8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.576 -7.549 8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.136 -8.264 6.974 1.00 0.00 H new ATOM 1251 N TRP A 82 5.531 -8.864 7.359 1.00 0.00 N ATOM 1252 CA TRP A 82 6.163 -10.142 7.172 1.00 0.00 C ATOM 1253 C TRP A 82 5.848 -11.041 8.370 1.00 0.00 C ATOM 1254 O TRP A 82 5.473 -10.560 9.442 1.00 0.00 O ATOM 1255 CB TRP A 82 7.659 -9.875 7.000 1.00 0.00 C ATOM 1256 CG TRP A 82 8.471 -11.095 6.758 1.00 0.00 C ATOM 1257 CD1 TRP A 82 9.367 -11.611 7.624 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.450 -11.981 5.606 1.00 0.00 C ATOM 1259 NE1 TRP A 82 9.916 -12.759 7.089 1.00 0.00 N ATOM 1260 CE2 TRP A 82 9.330 -13.073 5.876 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.774 -11.962 4.367 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.537 -14.097 4.940 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 7.984 -12.983 3.425 1.00 0.00 C ATOM 1264 CH2 TRP A 82 8.893 -14.022 3.692 1.00 0.00 C ATOM 0 H TRP A 82 6.188 -8.094 7.489 1.00 0.00 H new ATOM 0 HA TRP A 82 5.796 -10.667 6.290 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.800 -9.187 6.167 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.033 -9.375 7.893 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.616 -11.191 8.587 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.657 -13.304 7.530 1.00 0.00 H new ATOM 0 HE3 TRP A 82 7.090 -11.157 4.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.182 -14.931 5.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.444 -12.970 2.490 1.00 0.00 H new ATOM 0 HH2 TRP A 82 9.097 -14.765 2.936 1.00 0.00 H new ATOM 1275 N HIS A 83 6.039 -12.347 8.187 1.00 0.00 N ATOM 1276 CA HIS A 83 6.375 -13.281 9.245 1.00 0.00 C ATOM 1277 C HIS A 83 7.435 -14.188 8.651 1.00 0.00 C ATOM 1278 O HIS A 83 7.241 -14.682 7.532 1.00 0.00 O ATOM 1279 CB HIS A 83 5.181 -14.134 9.684 1.00 0.00 C ATOM 1280 CG HIS A 83 4.143 -13.442 10.520 1.00 0.00 C ATOM 1281 ND1 HIS A 83 4.381 -12.551 11.542 1.00 0.00 N ATOM 1282 CD2 HIS A 83 2.792 -13.636 10.432 1.00 0.00 C ATOM 1283 CE1 HIS A 83 3.186 -12.182 12.032 1.00 0.00 C ATOM 1284 NE2 HIS A 83 2.193 -12.840 11.411 1.00 0.00 N ATOM 0 H HIS A 83 5.961 -12.790 7.272 1.00 0.00 H new ATOM 0 HA HIS A 83 6.706 -12.738 10.130 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.695 -14.528 8.791 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.559 -14.989 10.245 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.283 -14.285 9.735 1.00 0.00 H new ATOM 0 HE1 HIS A 83 3.043 -11.455 12.818 1.00 0.00 H new ATOM 0 HE2 HIS A 83 1.196 -12.772 11.615 1.00 0.00 H new ATOM 1292 N ASP A 84 8.536 -14.418 9.377 1.00 0.00 N ATOM 1293 CA ASP A 84 9.512 -15.413 8.931 1.00 0.00 C ATOM 1294 C ASP A 84 8.756 -16.731 8.819 1.00 0.00 C ATOM 1295 O ASP A 84 7.865 -17.035 9.621 1.00 0.00 O ATOM 1296 CB ASP A 84 10.759 -15.477 9.833 1.00 0.00 C ATOM 1297 CG ASP A 84 11.606 -14.200 9.747 1.00 0.00 C ATOM 1298 OD1 ASP A 84 12.066 -13.840 8.641 1.00 0.00 O ATOM 1299 OD2 ASP A 84 11.794 -13.533 10.799 1.00 0.00 O ATOM 0 H ASP A 84 8.767 -13.943 10.250 1.00 0.00 H new ATOM 0 HA ASP A 84 9.932 -15.144 7.962 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.450 -15.636 10.866 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.368 -16.334 9.547 1.00 0.00 H new ATOM 1304 N SER A 85 9.041 -17.472 7.754 1.00 0.00 N ATOM 1305 CA SER A 85 8.398 -18.744 7.450 1.00 0.00 C ATOM 1306 C SER A 85 9.501 -19.794 7.435 1.00 0.00 C ATOM 1307 O SER A 85 10.661 -19.439 7.245 1.00 0.00 O ATOM 1308 CB SER A 85 7.663 -18.600 6.113 1.00 0.00 C ATOM 1309 OG SER A 85 6.721 -17.540 6.178 1.00 0.00 O ATOM 0 H SER A 85 9.740 -17.199 7.064 1.00 0.00 H new ATOM 0 HA SER A 85 7.651 -19.046 8.184 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.381 -18.409 5.315 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.154 -19.532 5.868 1.00 0.00 H new ATOM 0 HG SER A 85 6.260 -17.458 5.317 1.00 0.00 H new ATOM 1315 N ARG A 86 9.185 -21.079 7.608 1.00 0.00 N ATOM 1316 CA ARG A 86 10.165 -22.106 8.003 1.00 0.00 C ATOM 1317 C ARG A 86 11.358 -22.321 7.057 1.00 0.00 C ATOM 1318 O ARG A 86 12.229 -23.124 7.380 1.00 0.00 O ATOM 1319 CB ARG A 86 9.426 -23.441 8.224 1.00 0.00 C ATOM 1320 CG ARG A 86 9.850 -24.117 9.538 1.00 0.00 C ATOM 1321 CD ARG A 86 9.378 -25.574 9.634 1.00 0.00 C ATOM 1322 NE ARG A 86 7.990 -25.751 9.173 1.00 0.00 N ATOM 1323 CZ ARG A 86 6.874 -25.852 9.897 1.00 0.00 C ATOM 1324 NH1 ARG A 86 6.879 -25.806 11.221 1.00 0.00 N ATOM 1325 NH2 ARG A 86 5.736 -26.007 9.247 1.00 0.00 N ATOM 0 H ARG A 86 8.241 -21.443 7.479 1.00 0.00 H new ATOM 0 HA ARG A 86 10.620 -21.725 8.917 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.351 -23.263 8.237 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.628 -24.111 7.389 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.936 -24.085 9.624 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.447 -23.553 10.379 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.038 -26.206 9.039 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.460 -25.911 10.667 1.00 0.00 H new ATOM 0 HE ARG A 86 7.865 -25.804 8.162 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.759 -25.690 11.724 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.003 -25.887 11.737 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.732 -26.046 8.228 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.860 -26.088 9.764 1.00 0.00 H new ATOM 1339 N ARG A 87 11.387 -21.680 5.885 1.00 0.00 N ATOM 1340 CA ARG A 87 12.413 -21.820 4.851 1.00 0.00 C ATOM 1341 C ARG A 87 12.879 -20.456 4.303 1.00 0.00 C ATOM 1342 O ARG A 87 13.596 -20.413 3.299 1.00 0.00 O ATOM 1343 CB ARG A 87 11.824 -22.741 3.764 1.00 0.00 C ATOM 1344 CG ARG A 87 12.881 -23.299 2.804 1.00 0.00 C ATOM 1345 CD ARG A 87 12.503 -23.137 1.330 1.00 0.00 C ATOM 1346 NE ARG A 87 11.875 -24.353 0.800 1.00 0.00 N ATOM 1347 CZ ARG A 87 11.009 -24.459 -0.210 1.00 0.00 C ATOM 1348 NH1 ARG A 87 10.603 -23.398 -0.892 1.00 0.00 N ATOM 1349 NH2 ARG A 87 10.581 -25.667 -0.549 1.00 0.00 N ATOM 0 H ARG A 87 10.659 -21.017 5.620 1.00 0.00 H new ATOM 0 HA ARG A 87 13.320 -22.264 5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.304 -23.571 4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.080 -22.187 3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.830 -22.795 2.986 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.035 -24.356 3.019 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.820 -22.295 1.219 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.394 -22.903 0.748 1.00 0.00 H new ATOM 0 HE ARG A 87 12.132 -25.226 1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.953 -22.471 -0.650 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.940 -23.508 -1.660 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.914 -26.487 -0.042 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.919 -25.777 -1.317 1.00 0.00 H new ATOM 1363 N TRP A 88 12.430 -19.349 4.897 1.00 0.00 N ATOM 1364 CA TRP A 88 12.504 -17.986 4.382 1.00 0.00 C ATOM 1365 C TRP A 88 12.760 -17.037 5.555 1.00 0.00 C ATOM 1366 O TRP A 88 11.841 -16.803 6.347 1.00 0.00 O ATOM 1367 CB TRP A 88 11.167 -17.670 3.688 1.00 0.00 C ATOM 1368 CG TRP A 88 11.011 -18.238 2.323 1.00 0.00 C ATOM 1369 CD1 TRP A 88 10.406 -19.416 2.075 1.00 0.00 C ATOM 1370 CD2 TRP A 88 11.399 -17.688 1.018 1.00 0.00 C ATOM 1371 NE1 TRP A 88 10.381 -19.630 0.721 1.00 0.00 N ATOM 1372 CE2 TRP A 88 10.975 -18.614 0.022 1.00 0.00 C ATOM 1373 CE3 TRP A 88 12.014 -16.508 0.532 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 11.154 -18.404 -1.349 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 12.284 -16.333 -0.837 1.00 0.00 C ATOM 1376 CH2 TRP A 88 11.848 -17.272 -1.778 1.00 0.00 C ATOM 0 H TRP A 88 11.976 -19.386 5.810 1.00 0.00 H new ATOM 0 HA TRP A 88 13.314 -17.869 3.662 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.355 -18.041 4.313 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.054 -16.587 3.629 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.005 -20.084 2.823 1.00 0.00 H new ATOM 0 HE1 TRP A 88 9.967 -20.453 0.284 1.00 0.00 H new ATOM 0 HE3 TRP A 88 12.281 -15.726 1.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 10.760 -19.109 -2.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 12.834 -15.464 -1.166 1.00 0.00 H new ATOM 0 HH2 TRP A 88 12.047 -17.122 -2.829 1.00 0.00 H new ATOM 1387 N GLN A 89 13.994 -16.516 5.670 1.00 0.00 N ATOM 1388 CA GLN A 89 14.278 -15.430 6.610 1.00 0.00 C ATOM 1389 C GLN A 89 14.370 -14.103 5.840 1.00 0.00 C ATOM 1390 O GLN A 89 14.844 -14.082 4.692 1.00 0.00 O ATOM 1391 CB GLN A 89 15.572 -15.610 7.404 1.00 0.00 C ATOM 1392 CG GLN A 89 15.446 -16.654 8.514 1.00 0.00 C ATOM 1393 CD GLN A 89 16.239 -17.896 8.152 1.00 0.00 C ATOM 1394 OE1 GLN A 89 17.197 -18.250 8.839 1.00 0.00 O ATOM 1395 NE2 GLN A 89 15.839 -18.567 7.092 1.00 0.00 N ATOM 0 H GLN A 89 14.799 -16.829 5.128 1.00 0.00 H new ATOM 0 HA GLN A 89 13.458 -15.434 7.328 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.372 -15.904 6.724 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.860 -14.654 7.842 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.810 -16.242 9.455 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.398 -16.913 8.664 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.040 -18.237 6.551 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.329 -19.417 6.812 1.00 0.00 H new ATOM 1404 N LEU A 90 13.942 -13.009 6.466 1.00 0.00 N ATOM 1405 CA LEU A 90 14.025 -11.662 5.907 1.00 0.00 C ATOM 1406 C LEU A 90 15.251 -10.919 6.429 1.00 0.00 C ATOM 1407 O LEU A 90 16.043 -11.450 7.218 1.00 0.00 O ATOM 1408 CB LEU A 90 12.729 -10.886 6.218 1.00 0.00 C ATOM 1409 CG LEU A 90 11.762 -10.692 5.046 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.969 -9.429 4.238 1.00 0.00 C ATOM 1411 CD2 LEU A 90 11.722 -11.902 4.099 1.00 0.00 C ATOM 0 H LEU A 90 13.520 -13.035 7.394 1.00 0.00 H new ATOM 0 HA LEU A 90 14.134 -11.741 4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.200 -11.407 7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.001 -9.904 6.604 1.00 0.00 H new ATOM 0 HG LEU A 90 10.799 -10.589 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.235 -9.387 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.849 -8.560 4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.973 -9.429 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.020 -11.707 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.716 -12.073 3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.402 -12.786 4.651 1.00 0.00 H new ATOM 1423 N SER A 91 15.433 -9.703 5.930 1.00 0.00 N ATOM 1424 CA SER A 91 16.330 -8.662 6.407 1.00 0.00 C ATOM 1425 C SER A 91 16.166 -7.403 5.540 1.00 0.00 C ATOM 1426 O SER A 91 15.682 -7.482 4.411 1.00 0.00 O ATOM 1427 CB SER A 91 17.794 -9.147 6.368 1.00 0.00 C ATOM 1428 OG SER A 91 18.125 -9.801 7.565 1.00 0.00 O ATOM 0 H SER A 91 14.911 -9.395 5.110 1.00 0.00 H new ATOM 0 HA SER A 91 16.076 -8.424 7.440 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.937 -9.823 5.525 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.461 -8.299 6.213 1.00 0.00 H new ATOM 0 HG SER A 91 17.449 -10.482 7.764 1.00 0.00 H new ATOM 1434 N VAL A 92 16.624 -6.257 6.038 1.00 0.00 N ATOM 1435 CA VAL A 92 16.664 -4.945 5.401 1.00 0.00 C ATOM 1436 C VAL A 92 18.073 -4.416 5.618 1.00 0.00 C ATOM 1437 O VAL A 92 18.684 -4.681 6.657 1.00 0.00 O ATOM 1438 CB VAL A 92 15.614 -4.036 6.056 1.00 0.00 C ATOM 1439 CG1 VAL A 92 15.753 -2.539 5.769 1.00 0.00 C ATOM 1440 CG2 VAL A 92 14.279 -4.408 5.447 1.00 0.00 C ATOM 0 H VAL A 92 17.011 -6.221 6.981 1.00 0.00 H new ATOM 0 HA VAL A 92 16.436 -4.988 4.336 1.00 0.00 H new ATOM 0 HB VAL A 92 15.727 -4.184 7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 92 14.960 -1.995 6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.722 -2.189 6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.677 -2.366 4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 92 13.495 -3.787 5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 92 14.313 -4.248 4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 92 14.066 -5.457 5.651 1.00 0.00 H new ATOM 1450 N ALA A 93 18.598 -3.681 4.649 1.00 0.00 N ATOM 1451 CA ALA A 93 19.876 -3.014 4.802 1.00 0.00 C ATOM 1452 C ALA A 93 19.685 -1.864 5.796 1.00 0.00 C ATOM 1453 O ALA A 93 19.050 -0.872 5.455 1.00 0.00 O ATOM 1454 CB ALA A 93 20.394 -2.530 3.450 1.00 0.00 C ATOM 0 H ALA A 93 18.153 -3.533 3.743 1.00 0.00 H new ATOM 0 HA ALA A 93 20.629 -3.700 5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.354 -2.032 3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 93 20.518 -3.382 2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.680 -1.830 3.016 1.00 0.00 H new