USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 550 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 4 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00474) USER MOD Single : A 5 GLN : amide:sc= -2.71! C(o=-2.7!,f=-8.6!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -129:sc= -0.218 (180deg=-2.77!) USER MOD Single : A 27 MET CE :methyl 134:sc= 0 (180deg=-1.37) USER MOD Single : A 28 GLN : amide:sc= -0.0274 K(o=-0.027,f=-1.5!) USER MOD Single : A 38 ASN : amide:sc= -2.07! C(o=-2.1!,f=-6.2!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -1.21! C(o=-1.2!,f=-1.7!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -63:sc= 1.05 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.34! K(o=-1.3!,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.91! C(o=-1.9!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 53.761 -13.181 14.477 1.00 0.00 N ATOM 35 CA VAL A 3 54.718 -13.878 13.625 1.00 0.00 C ATOM 36 C VAL A 3 56.146 -13.491 13.997 1.00 0.00 C ATOM 37 O VAL A 3 56.513 -12.317 13.946 1.00 0.00 O ATOM 38 CB VAL A 3 54.458 -13.532 12.158 1.00 0.00 C ATOM 39 CG1 VAL A 3 53.104 -14.101 11.731 1.00 0.00 C ATOM 40 CG2 VAL A 3 54.446 -12.011 11.988 1.00 0.00 C ATOM 0 HA VAL A 3 54.595 -14.951 13.772 1.00 0.00 H new ATOM 0 HB VAL A 3 55.245 -13.963 11.539 1.00 0.00 H new ATOM 0 HG11 VAL A 3 52.919 -13.854 10.686 1.00 0.00 H new ATOM 0 HG12 VAL A 3 53.110 -15.184 11.853 1.00 0.00 H new ATOM 0 HG13 VAL A 3 52.317 -13.671 12.350 1.00 0.00 H new ATOM 0 HG21 VAL A 3 54.261 -11.763 10.943 1.00 0.00 H new ATOM 0 HG22 VAL A 3 53.659 -11.582 12.608 1.00 0.00 H new ATOM 0 HG23 VAL A 3 55.410 -11.603 12.292 1.00 0.00 H new ATOM 50 N LYS A 4 56.945 -14.485 14.370 1.00 0.00 N ATOM 51 CA LYS A 4 58.331 -14.236 14.747 1.00 0.00 C ATOM 52 C LYS A 4 59.283 -15.008 13.841 1.00 0.00 C ATOM 53 O LYS A 4 58.994 -16.136 13.438 1.00 0.00 O ATOM 54 CB LYS A 4 58.558 -14.653 16.202 1.00 0.00 C ATOM 55 CG LYS A 4 57.348 -14.248 17.046 1.00 0.00 C ATOM 56 CD LYS A 4 57.575 -14.668 18.499 1.00 0.00 C ATOM 57 CE LYS A 4 56.263 -14.546 19.277 1.00 0.00 C ATOM 58 NZ LYS A 4 55.429 -15.759 19.038 1.00 0.00 N ATOM 0 H LYS A 4 56.660 -15.463 14.419 1.00 0.00 H new ATOM 0 HA LYS A 4 58.531 -13.170 14.637 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.712 -15.730 16.262 1.00 0.00 H new ATOM 0 HB3 LYS A 4 59.460 -14.180 16.590 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.195 -13.170 16.988 1.00 0.00 H new ATOM 0 HG3 LYS A 4 56.446 -14.720 16.657 1.00 0.00 H new ATOM 0 HD2 LYS A 4 57.940 -15.694 18.539 1.00 0.00 H new ATOM 0 HD3 LYS A 4 58.340 -14.040 18.955 1.00 0.00 H new ATOM 0 HE2 LYS A 4 56.468 -14.437 20.342 1.00 0.00 H new ATOM 0 HE3 LYS A 4 55.723 -13.653 18.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 54.423 -15.510 19.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 55.618 -16.128 18.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 55.664 -16.486 19.744 1.00 0.00 H new ATOM 72 N GLN A 5 60.418 -14.394 13.523 1.00 0.00 N ATOM 73 CA GLN A 5 61.407 -15.033 12.663 1.00 0.00 C ATOM 74 C GLN A 5 62.819 -14.646 13.092 1.00 0.00 C ATOM 75 O GLN A 5 63.097 -13.478 13.360 1.00 0.00 O ATOM 76 CB GLN A 5 61.181 -14.617 11.208 1.00 0.00 C ATOM 77 CG GLN A 5 60.002 -15.401 10.630 1.00 0.00 C ATOM 78 CD GLN A 5 59.725 -14.947 9.200 1.00 0.00 C ATOM 79 OE1 GLN A 5 59.188 -13.861 8.986 1.00 0.00 O ATOM 80 NE2 GLN A 5 60.062 -15.719 8.204 1.00 0.00 N ATOM 0 H GLN A 5 60.675 -13.461 13.845 1.00 0.00 H new ATOM 0 HA GLN A 5 61.295 -16.114 12.753 1.00 0.00 H new ATOM 0 HB2 GLN A 5 60.982 -13.547 11.151 1.00 0.00 H new ATOM 0 HB3 GLN A 5 62.080 -14.806 10.621 1.00 0.00 H new ATOM 0 HG2 GLN A 5 60.222 -16.468 10.645 1.00 0.00 H new ATOM 0 HG3 GLN A 5 59.116 -15.249 11.247 1.00 0.00 H new ATOM 0 HE21 GLN A 5 60.507 -16.619 8.384 1.00 0.00 H new ATOM 0 HE22 GLN A 5 59.880 -15.423 7.245 1.00 0.00 H new ATOM 89 N THR A 6 63.705 -15.634 13.155 1.00 0.00 N ATOM 90 CA THR A 6 65.086 -15.384 13.554 1.00 0.00 C ATOM 91 C THR A 6 65.966 -15.161 12.328 1.00 0.00 C ATOM 92 O THR A 6 65.991 -15.984 11.412 1.00 0.00 O ATOM 93 CB THR A 6 65.620 -16.570 14.359 1.00 0.00 C ATOM 94 OG1 THR A 6 64.537 -17.410 14.737 1.00 0.00 O ATOM 95 CG2 THR A 6 66.333 -16.058 15.612 1.00 0.00 C ATOM 0 H THR A 6 63.495 -16.608 12.937 1.00 0.00 H new ATOM 0 HA THR A 6 65.109 -14.486 14.172 1.00 0.00 H new ATOM 0 HB THR A 6 66.324 -17.137 13.749 1.00 0.00 H new ATOM 0 HG1 THR A 6 64.878 -18.171 15.251 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.713 -16.903 16.185 1.00 0.00 H new ATOM 0 HG22 THR A 6 67.163 -15.414 15.321 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.631 -15.491 16.224 1.00 0.00 H new ATOM 103 N VAL A 7 66.686 -14.044 12.317 1.00 0.00 N ATOM 104 CA VAL A 7 67.564 -13.723 11.199 1.00 0.00 C ATOM 105 C VAL A 7 68.955 -13.349 11.700 1.00 0.00 C ATOM 106 O VAL A 7 69.096 -12.605 12.670 1.00 0.00 O ATOM 107 CB VAL A 7 66.981 -12.560 10.394 1.00 0.00 C ATOM 108 CG1 VAL A 7 66.657 -11.399 11.336 1.00 0.00 C ATOM 109 CG2 VAL A 7 68.002 -12.101 9.351 1.00 0.00 C ATOM 0 H VAL A 7 66.679 -13.350 13.065 1.00 0.00 H new ATOM 0 HA VAL A 7 67.644 -14.603 10.561 1.00 0.00 H new ATOM 0 HB VAL A 7 66.070 -12.885 9.893 1.00 0.00 H new ATOM 0 HG11 VAL A 7 66.242 -10.570 10.763 1.00 0.00 H new ATOM 0 HG12 VAL A 7 65.930 -11.726 12.080 1.00 0.00 H new ATOM 0 HG13 VAL A 7 67.568 -11.072 11.838 1.00 0.00 H new ATOM 0 HG21 VAL A 7 67.588 -11.272 8.777 1.00 0.00 H new ATOM 0 HG22 VAL A 7 68.913 -11.775 9.853 1.00 0.00 H new ATOM 0 HG23 VAL A 7 68.233 -12.928 8.680 1.00 0.00 H new ATOM 119 N GLU A 8 69.979 -13.871 11.033 1.00 0.00 N ATOM 120 CA GLU A 8 71.356 -13.585 11.421 1.00 0.00 C ATOM 121 C GLU A 8 71.756 -12.181 10.979 1.00 0.00 C ATOM 122 O GLU A 8 71.563 -11.806 9.823 1.00 0.00 O ATOM 123 CB GLU A 8 72.301 -14.610 10.789 1.00 0.00 C ATOM 124 CG GLU A 8 72.015 -15.995 11.370 1.00 0.00 C ATOM 125 CD GLU A 8 72.606 -17.072 10.466 1.00 0.00 C ATOM 126 OE1 GLU A 8 73.057 -16.729 9.386 1.00 0.00 O ATOM 127 OE2 GLU A 8 72.599 -18.225 10.868 1.00 0.00 O ATOM 0 H GLU A 8 69.883 -14.489 10.228 1.00 0.00 H new ATOM 0 HA GLU A 8 71.428 -13.646 12.507 1.00 0.00 H new ATOM 0 HB2 GLU A 8 72.169 -14.624 9.707 1.00 0.00 H new ATOM 0 HB3 GLU A 8 73.337 -14.331 10.980 1.00 0.00 H new ATOM 0 HG2 GLU A 8 72.441 -16.074 12.370 1.00 0.00 H new ATOM 0 HG3 GLU A 8 70.940 -16.142 11.469 1.00 0.00 H new ATOM 134 N ILE A 9 72.311 -11.410 11.908 1.00 0.00 N ATOM 135 CA ILE A 9 72.733 -10.047 11.603 1.00 0.00 C ATOM 136 C ILE A 9 74.112 -10.046 10.953 1.00 0.00 C ATOM 137 O ILE A 9 75.098 -10.459 11.563 1.00 0.00 O ATOM 138 CB ILE A 9 72.770 -9.214 12.885 1.00 0.00 C ATOM 139 CG1 ILE A 9 71.353 -8.752 13.232 1.00 0.00 C ATOM 140 CG2 ILE A 9 73.665 -7.991 12.673 1.00 0.00 C ATOM 141 CD1 ILE A 9 70.722 -8.078 12.013 1.00 0.00 C ATOM 0 H ILE A 9 72.478 -11.702 12.871 1.00 0.00 H new ATOM 0 HA ILE A 9 72.016 -9.611 10.907 1.00 0.00 H new ATOM 0 HB ILE A 9 73.167 -9.819 13.700 1.00 0.00 H new ATOM 0 HG12 ILE A 9 70.748 -9.603 13.544 1.00 0.00 H new ATOM 0 HG13 ILE A 9 71.381 -8.057 14.071 1.00 0.00 H new ATOM 0 HG21 ILE A 9 73.692 -7.397 13.586 1.00 0.00 H new ATOM 0 HG22 ILE A 9 74.674 -8.318 12.423 1.00 0.00 H new ATOM 0 HG23 ILE A 9 73.267 -7.386 11.858 1.00 0.00 H new ATOM 0 HD11 ILE A 9 69.713 -7.749 12.261 1.00 0.00 H new ATOM 0 HD12 ILE A 9 71.323 -7.217 11.722 1.00 0.00 H new ATOM 0 HD13 ILE A 9 70.680 -8.787 11.186 1.00 0.00 H new ATOM 297 N PRO A 19 67.054 0.396 6.436 1.00 0.00 N ATOM 298 CA PRO A 19 66.169 -0.707 6.907 1.00 0.00 C ATOM 299 C PRO A 19 65.419 -0.336 8.183 1.00 0.00 C ATOM 300 O PRO A 19 64.188 -0.349 8.218 1.00 0.00 O ATOM 301 CB PRO A 19 67.137 -1.865 7.157 1.00 0.00 C ATOM 302 CG PRO A 19 68.309 -1.603 6.269 1.00 0.00 C ATOM 303 CD PRO A 19 68.401 -0.087 6.093 1.00 0.00 C ATOM 0 HA PRO A 19 65.390 -0.947 6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.439 -1.905 8.204 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.673 -2.823 6.922 1.00 0.00 H new ATOM 0 HG2 PRO A 19 69.224 -1.997 6.711 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.182 -2.097 5.306 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.158 0.345 6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 19 68.672 0.180 5.072 1.00 0.00 H new ATOM 311 N ALA A 20 66.170 -0.009 9.230 1.00 0.00 N ATOM 312 CA ALA A 20 65.565 0.364 10.503 1.00 0.00 C ATOM 313 C ALA A 20 64.697 1.608 10.340 1.00 0.00 C ATOM 314 O ALA A 20 63.608 1.696 10.908 1.00 0.00 O ATOM 315 CB ALA A 20 66.656 0.633 11.541 1.00 0.00 C ATOM 0 H ALA A 20 67.190 0.005 9.223 1.00 0.00 H new ATOM 0 HA ALA A 20 64.938 -0.461 10.841 1.00 0.00 H new ATOM 0 HB1 ALA A 20 66.196 0.911 12.489 1.00 0.00 H new ATOM 0 HB2 ALA A 20 67.256 -0.266 11.679 1.00 0.00 H new ATOM 0 HB3 ALA A 20 67.294 1.446 11.195 1.00 0.00 H new ATOM 321 N MET A 21 65.186 2.566 9.560 1.00 0.00 N ATOM 322 CA MET A 21 64.446 3.800 9.328 1.00 0.00 C ATOM 323 C MET A 21 63.196 3.527 8.498 1.00 0.00 C ATOM 324 O MET A 21 62.122 4.060 8.781 1.00 0.00 O ATOM 325 CB MET A 21 65.333 4.813 8.601 1.00 0.00 C ATOM 326 CG MET A 21 66.312 5.441 9.594 1.00 0.00 C ATOM 327 SD MET A 21 67.279 6.724 8.760 1.00 0.00 S ATOM 328 CE MET A 21 68.298 7.199 10.177 1.00 0.00 C ATOM 0 H MET A 21 66.085 2.513 9.081 1.00 0.00 H new ATOM 0 HA MET A 21 64.146 4.208 10.293 1.00 0.00 H new ATOM 0 HB2 MET A 21 65.880 4.322 7.796 1.00 0.00 H new ATOM 0 HB3 MET A 21 64.718 5.587 8.142 1.00 0.00 H new ATOM 0 HG2 MET A 21 65.768 5.870 10.435 1.00 0.00 H new ATOM 0 HG3 MET A 21 66.975 4.677 10.000 1.00 0.00 H new ATOM 0 HE1 MET A 21 68.983 7.994 9.882 1.00 0.00 H new ATOM 0 HE2 MET A 21 67.657 7.553 10.984 1.00 0.00 H new ATOM 0 HE3 MET A 21 68.870 6.336 10.519 1.00 0.00 H new ATOM 338 N LYS A 22 63.342 2.694 7.473 1.00 0.00 N ATOM 339 CA LYS A 22 62.218 2.356 6.610 1.00 0.00 C ATOM 340 C LYS A 22 61.094 1.718 7.420 1.00 0.00 C ATOM 341 O LYS A 22 59.916 2.000 7.194 1.00 0.00 O ATOM 342 CB LYS A 22 62.671 1.391 5.513 1.00 0.00 C ATOM 343 CG LYS A 22 61.473 1.009 4.641 1.00 0.00 C ATOM 344 CD LYS A 22 61.951 0.707 3.220 1.00 0.00 C ATOM 345 CE LYS A 22 62.537 -0.704 3.166 1.00 0.00 C ATOM 346 NZ LYS A 22 62.717 -1.115 1.745 1.00 0.00 N ATOM 0 H LYS A 22 64.222 2.244 7.221 1.00 0.00 H new ATOM 0 HA LYS A 22 61.847 3.274 6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 22 63.445 1.856 4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 22 63.110 0.498 5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 22 60.969 0.138 5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 22 60.747 1.822 4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 22 61.120 0.794 2.520 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.702 1.436 2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 22 63.494 -0.732 3.687 1.00 0.00 H new ATOM 0 HE3 LYS A 22 61.875 -1.404 3.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 62.280 -2.047 1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 62.265 -0.416 1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.732 -1.170 1.525 1.00 0.00 H new ATOM 360 N LEU A 23 61.465 0.860 8.363 1.00 0.00 N ATOM 361 CA LEU A 23 60.478 0.189 9.202 1.00 0.00 C ATOM 362 C LEU A 23 59.464 1.193 9.741 1.00 0.00 C ATOM 363 O LEU A 23 58.263 0.929 9.755 1.00 0.00 O ATOM 364 CB LEU A 23 61.175 -0.514 10.369 1.00 0.00 C ATOM 365 CG LEU A 23 61.304 -2.007 10.062 1.00 0.00 C ATOM 366 CD1 LEU A 23 62.342 -2.632 10.996 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.950 -2.688 10.275 1.00 0.00 C ATOM 0 H LEU A 23 62.434 0.613 8.565 1.00 0.00 H new ATOM 0 HA LEU A 23 59.954 -0.550 8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 23 62.161 -0.079 10.533 1.00 0.00 H new ATOM 0 HB3 LEU A 23 60.606 -0.369 11.287 1.00 0.00 H new ATOM 0 HG LEU A 23 61.620 -2.140 9.027 1.00 0.00 H new ATOM 0 HD11 LEU A 23 62.434 -3.696 10.778 1.00 0.00 H new ATOM 0 HD12 LEU A 23 63.306 -2.146 10.846 1.00 0.00 H new ATOM 0 HD13 LEU A 23 62.026 -2.500 12.031 1.00 0.00 H new ATOM 0 HD21 LEU A 23 60.040 -3.752 10.057 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.635 -2.555 11.310 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.210 -2.242 9.610 1.00 0.00 H new ATOM 379 N PHE A 24 59.958 2.346 10.183 1.00 0.00 N ATOM 380 CA PHE A 24 59.084 3.382 10.720 1.00 0.00 C ATOM 381 C PHE A 24 58.037 3.786 9.687 1.00 0.00 C ATOM 382 O PHE A 24 56.863 3.960 10.013 1.00 0.00 O ATOM 383 CB PHE A 24 59.910 4.607 11.119 1.00 0.00 C ATOM 384 CG PHE A 24 60.314 4.489 12.569 1.00 0.00 C ATOM 385 CD1 PHE A 24 61.485 3.803 12.916 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.521 5.067 13.566 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.859 3.693 14.260 1.00 0.00 C ATOM 388 CE2 PHE A 24 59.896 4.959 14.911 1.00 0.00 C ATOM 389 CZ PHE A 24 61.066 4.272 15.257 1.00 0.00 C ATOM 0 H PHE A 24 60.950 2.585 10.180 1.00 0.00 H new ATOM 0 HA PHE A 24 58.577 2.985 11.599 1.00 0.00 H new ATOM 0 HB2 PHE A 24 60.796 4.683 10.488 1.00 0.00 H new ATOM 0 HB3 PHE A 24 59.330 5.517 10.965 1.00 0.00 H new ATOM 0 HD1 PHE A 24 62.099 3.359 12.146 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.619 5.597 13.298 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.760 3.161 14.528 1.00 0.00 H new ATOM 0 HE2 PHE A 24 59.283 5.405 15.681 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.357 4.189 16.294 1.00 0.00 H new ATOM 399 N GLU A 25 58.471 3.932 8.439 1.00 0.00 N ATOM 400 CA GLU A 25 57.562 4.314 7.365 1.00 0.00 C ATOM 401 C GLU A 25 56.634 3.155 7.015 1.00 0.00 C ATOM 402 O GLU A 25 55.467 3.359 6.685 1.00 0.00 O ATOM 403 CB GLU A 25 58.360 4.723 6.126 1.00 0.00 C ATOM 404 CG GLU A 25 59.099 6.034 6.403 1.00 0.00 C ATOM 405 CD GLU A 25 60.016 6.373 5.234 1.00 0.00 C ATOM 406 OE1 GLU A 25 60.076 5.584 4.305 1.00 0.00 O ATOM 407 OE2 GLU A 25 60.645 7.417 5.284 1.00 0.00 O ATOM 0 H GLU A 25 59.439 3.793 8.148 1.00 0.00 H new ATOM 0 HA GLU A 25 56.961 5.158 7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 25 59.072 3.940 5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 25 57.692 4.843 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 25 58.381 6.840 6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 25 59.682 5.946 7.320 1.00 0.00 H new ATOM 414 N LEU A 26 57.163 1.937 7.091 1.00 0.00 N ATOM 415 CA LEU A 26 56.373 0.751 6.781 1.00 0.00 C ATOM 416 C LEU A 26 55.307 0.525 7.848 1.00 0.00 C ATOM 417 O LEU A 26 54.171 0.170 7.538 1.00 0.00 O ATOM 418 CB LEU A 26 57.283 -0.475 6.696 1.00 0.00 C ATOM 419 CG LEU A 26 57.193 -1.084 5.296 1.00 0.00 C ATOM 420 CD1 LEU A 26 57.789 -0.112 4.277 1.00 0.00 C ATOM 421 CD2 LEU A 26 57.975 -2.399 5.262 1.00 0.00 C ATOM 0 H LEU A 26 58.128 1.747 7.362 1.00 0.00 H new ATOM 0 HA LEU A 26 55.882 0.904 5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 26 58.313 -0.192 6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 26 56.989 -1.212 7.444 1.00 0.00 H new ATOM 0 HG LEU A 26 56.148 -1.274 5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 26 57.725 -0.546 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 26 57.234 0.826 4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 26 58.834 0.078 4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 26 57.912 -2.834 4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 26 59.019 -2.208 5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 26 57.552 -3.093 5.988 1.00 0.00 H new ATOM 433 N MET A 27 55.683 0.734 9.106 1.00 0.00 N ATOM 434 CA MET A 27 54.751 0.551 10.212 1.00 0.00 C ATOM 435 C MET A 27 53.485 1.371 9.985 1.00 0.00 C ATOM 436 O MET A 27 52.383 0.934 10.318 1.00 0.00 O ATOM 437 CB MET A 27 55.409 0.975 11.526 1.00 0.00 C ATOM 438 CG MET A 27 55.995 -0.253 12.225 1.00 0.00 C ATOM 439 SD MET A 27 54.684 -1.111 13.132 1.00 0.00 S ATOM 440 CE MET A 27 54.695 -0.054 14.601 1.00 0.00 C ATOM 0 H MET A 27 56.620 1.028 9.383 1.00 0.00 H new ATOM 0 HA MET A 27 54.482 -0.504 10.266 1.00 0.00 H new ATOM 0 HB2 MET A 27 56.195 1.705 11.332 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.676 1.459 12.172 1.00 0.00 H new ATOM 0 HG2 MET A 27 56.444 -0.923 11.492 1.00 0.00 H new ATOM 0 HG3 MET A 27 56.788 0.048 12.909 1.00 0.00 H new ATOM 0 HE1 MET A 27 53.671 0.205 14.871 1.00 0.00 H new ATOM 0 HE2 MET A 27 55.165 -0.586 15.428 1.00 0.00 H new ATOM 0 HE3 MET A 27 55.256 0.856 14.390 1.00 0.00 H new ATOM 450 N GLN A 28 53.652 2.561 9.417 1.00 0.00 N ATOM 451 CA GLN A 28 52.516 3.434 9.151 1.00 0.00 C ATOM 452 C GLN A 28 51.690 2.897 7.986 1.00 0.00 C ATOM 453 O GLN A 28 50.461 2.955 8.005 1.00 0.00 O ATOM 454 CB GLN A 28 53.007 4.845 8.823 1.00 0.00 C ATOM 455 CG GLN A 28 53.718 5.434 10.043 1.00 0.00 C ATOM 456 CD GLN A 28 54.447 6.716 9.653 1.00 0.00 C ATOM 457 OE1 GLN A 28 54.911 6.848 8.521 1.00 0.00 O ATOM 458 NE2 GLN A 28 54.576 7.674 10.530 1.00 0.00 N ATOM 0 H GLN A 28 54.556 2.940 9.134 1.00 0.00 H new ATOM 0 HA GLN A 28 51.889 3.466 10.042 1.00 0.00 H new ATOM 0 HB2 GLN A 28 53.687 4.816 7.971 1.00 0.00 H new ATOM 0 HB3 GLN A 28 52.166 5.477 8.538 1.00 0.00 H new ATOM 0 HG2 GLN A 28 52.994 5.643 10.831 1.00 0.00 H new ATOM 0 HG3 GLN A 28 54.427 4.711 10.445 1.00 0.00 H new ATOM 0 HE21 GLN A 28 54.191 7.562 11.468 1.00 0.00 H new ATOM 0 HE22 GLN A 28 55.062 8.534 10.278 1.00 0.00 H new ATOM 467 N GLY A 29 52.376 2.375 6.974 1.00 0.00 N ATOM 468 CA GLY A 29 51.695 1.830 5.805 1.00 0.00 C ATOM 469 C GLY A 29 51.142 0.439 6.098 1.00 0.00 C ATOM 470 O GLY A 29 50.075 0.069 5.607 1.00 0.00 O ATOM 0 H GLY A 29 53.394 2.318 6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 29 50.883 2.494 5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 29 52.388 1.781 4.965 1.00 0.00 H new ATOM 474 N PHE A 30 51.873 -0.325 6.902 1.00 0.00 N ATOM 475 CA PHE A 30 51.445 -1.674 7.255 1.00 0.00 C ATOM 476 C PHE A 30 50.706 -1.670 8.590 1.00 0.00 C ATOM 477 O PHE A 30 51.136 -1.023 9.545 1.00 0.00 O ATOM 478 CB PHE A 30 52.658 -2.601 7.342 1.00 0.00 C ATOM 479 CG PHE A 30 53.326 -2.687 5.991 1.00 0.00 C ATOM 480 CD1 PHE A 30 54.480 -3.463 5.827 1.00 0.00 C ATOM 481 CD2 PHE A 30 52.791 -1.990 4.901 1.00 0.00 C ATOM 482 CE1 PHE A 30 55.098 -3.542 4.574 1.00 0.00 C ATOM 483 CE2 PHE A 30 53.409 -2.069 3.647 1.00 0.00 C ATOM 484 CZ PHE A 30 54.563 -2.845 3.485 1.00 0.00 C ATOM 0 H PHE A 30 52.758 -0.037 7.319 1.00 0.00 H new ATOM 0 HA PHE A 30 50.768 -2.035 6.480 1.00 0.00 H new ATOM 0 HB2 PHE A 30 53.363 -2.226 8.084 1.00 0.00 H new ATOM 0 HB3 PHE A 30 52.348 -3.593 7.670 1.00 0.00 H new ATOM 0 HD1 PHE A 30 54.893 -4.001 6.668 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.901 -1.391 5.027 1.00 0.00 H new ATOM 0 HE1 PHE A 30 55.988 -4.141 4.447 1.00 0.00 H new ATOM 0 HE2 PHE A 30 52.996 -1.532 2.806 1.00 0.00 H new ATOM 0 HZ PHE A 30 55.041 -2.906 2.518 1.00 0.00 H new ATOM 494 N ASP A 31 49.595 -2.397 8.648 1.00 0.00 N ATOM 495 CA ASP A 31 48.806 -2.469 9.873 1.00 0.00 C ATOM 496 C ASP A 31 49.295 -3.608 10.761 1.00 0.00 C ATOM 497 O ASP A 31 48.879 -4.755 10.602 1.00 0.00 O ATOM 498 CB ASP A 31 47.330 -2.684 9.530 1.00 0.00 C ATOM 499 CG ASP A 31 46.712 -1.380 9.038 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.397 -0.370 9.081 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.565 -1.409 8.627 1.00 0.00 O ATOM 0 H ASP A 31 49.223 -2.940 7.869 1.00 0.00 H new ATOM 0 HA ASP A 31 48.921 -1.529 10.413 1.00 0.00 H new ATOM 0 HB2 ASP A 31 47.235 -3.453 8.763 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.793 -3.042 10.408 1.00 0.00 H new ATOM 506 N ALA A 32 50.181 -3.282 11.697 1.00 0.00 N ATOM 507 CA ALA A 32 50.720 -4.286 12.606 1.00 0.00 C ATOM 508 C ALA A 32 51.872 -3.708 13.422 1.00 0.00 C ATOM 509 O ALA A 32 52.558 -2.786 12.980 1.00 0.00 O ATOM 510 CB ALA A 32 51.212 -5.499 11.814 1.00 0.00 C ATOM 0 H ALA A 32 50.538 -2.338 11.845 1.00 0.00 H new ATOM 0 HA ALA A 32 49.926 -4.594 13.287 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.613 -6.244 12.501 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.381 -5.930 11.256 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.993 -5.188 11.120 1.00 0.00 H new ATOM 516 N GLU A 33 52.078 -4.255 14.616 1.00 0.00 N ATOM 517 CA GLU A 33 53.150 -3.784 15.486 1.00 0.00 C ATOM 518 C GLU A 33 54.398 -4.644 15.313 1.00 0.00 C ATOM 519 O GLU A 33 54.330 -5.872 15.369 1.00 0.00 O ATOM 520 CB GLU A 33 52.695 -3.831 16.947 1.00 0.00 C ATOM 521 CG GLU A 33 53.690 -3.060 17.817 1.00 0.00 C ATOM 522 CD GLU A 33 53.540 -1.561 17.576 1.00 0.00 C ATOM 523 OE1 GLU A 33 52.539 -1.171 16.998 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.429 -0.827 17.974 1.00 0.00 O ATOM 0 H GLU A 33 51.522 -5.019 15.001 1.00 0.00 H new ATOM 0 HA GLU A 33 53.390 -2.757 15.212 1.00 0.00 H new ATOM 0 HB2 GLU A 33 51.700 -3.397 17.043 1.00 0.00 H new ATOM 0 HB3 GLU A 33 52.626 -4.865 17.284 1.00 0.00 H new ATOM 0 HG2 GLU A 33 53.518 -3.287 18.869 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.708 -3.374 17.586 1.00 0.00 H new ATOM 531 N VAL A 34 55.536 -3.991 15.102 1.00 0.00 N ATOM 532 CA VAL A 34 56.794 -4.706 14.922 1.00 0.00 C ATOM 533 C VAL A 34 57.670 -4.571 16.163 1.00 0.00 C ATOM 534 O VAL A 34 57.675 -3.529 16.820 1.00 0.00 O ATOM 535 CB VAL A 34 57.540 -4.153 13.707 1.00 0.00 C ATOM 536 CG1 VAL A 34 56.684 -4.342 12.452 1.00 0.00 C ATOM 537 CG2 VAL A 34 57.815 -2.663 13.915 1.00 0.00 C ATOM 0 H VAL A 34 55.613 -2.975 15.052 1.00 0.00 H new ATOM 0 HA VAL A 34 56.570 -5.761 14.762 1.00 0.00 H new ATOM 0 HB VAL A 34 58.484 -4.685 13.587 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.216 -3.948 11.586 1.00 0.00 H new ATOM 0 HG12 VAL A 34 56.485 -5.403 12.304 1.00 0.00 H new ATOM 0 HG13 VAL A 34 55.740 -3.810 12.572 1.00 0.00 H new ATOM 0 HG21 VAL A 34 58.347 -2.267 13.050 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.871 -2.132 14.035 1.00 0.00 H new ATOM 0 HG23 VAL A 34 58.424 -2.527 14.809 1.00 0.00 H new ATOM 547 N LEU A 35 58.410 -5.628 16.477 1.00 0.00 N ATOM 548 CA LEU A 35 59.287 -5.615 17.642 1.00 0.00 C ATOM 549 C LEU A 35 60.532 -6.456 17.384 1.00 0.00 C ATOM 550 O LEU A 35 60.443 -7.578 16.887 1.00 0.00 O ATOM 551 CB LEU A 35 58.544 -6.162 18.863 1.00 0.00 C ATOM 552 CG LEU A 35 59.545 -6.450 19.982 1.00 0.00 C ATOM 553 CD1 LEU A 35 58.995 -5.922 21.309 1.00 0.00 C ATOM 554 CD2 LEU A 35 59.768 -7.960 20.089 1.00 0.00 C ATOM 0 H LEU A 35 58.421 -6.499 15.946 1.00 0.00 H new ATOM 0 HA LEU A 35 59.590 -4.586 17.833 1.00 0.00 H new ATOM 0 HB2 LEU A 35 57.800 -5.441 19.203 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.007 -7.073 18.597 1.00 0.00 H new ATOM 0 HG LEU A 35 60.491 -5.956 19.759 1.00 0.00 H new ATOM 0 HD11 LEU A 35 59.709 -6.128 22.106 1.00 0.00 H new ATOM 0 HD12 LEU A 35 58.834 -4.846 21.234 1.00 0.00 H new ATOM 0 HD13 LEU A 35 58.049 -6.415 21.533 1.00 0.00 H new ATOM 0 HD21 LEU A 35 60.482 -8.167 20.887 1.00 0.00 H new ATOM 0 HD22 LEU A 35 58.822 -8.453 20.312 1.00 0.00 H new ATOM 0 HD23 LEU A 35 60.160 -8.338 19.145 1.00 0.00 H new ATOM 566 N LEU A 36 61.693 -5.906 17.726 1.00 0.00 N ATOM 567 CA LEU A 36 62.951 -6.615 17.527 1.00 0.00 C ATOM 568 C LEU A 36 63.512 -7.097 18.862 1.00 0.00 C ATOM 569 O LEU A 36 63.256 -6.498 19.906 1.00 0.00 O ATOM 570 CB LEU A 36 63.968 -5.695 16.847 1.00 0.00 C ATOM 571 CG LEU A 36 63.415 -5.234 15.498 1.00 0.00 C ATOM 572 CD1 LEU A 36 64.005 -3.866 15.145 1.00 0.00 C ATOM 573 CD2 LEU A 36 63.799 -6.246 14.417 1.00 0.00 C ATOM 0 H LEU A 36 61.788 -4.978 18.139 1.00 0.00 H new ATOM 0 HA LEU A 36 62.762 -7.480 16.891 1.00 0.00 H new ATOM 0 HB2 LEU A 36 64.176 -4.833 17.481 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.912 -6.221 16.705 1.00 0.00 H new ATOM 0 HG LEU A 36 62.329 -5.158 15.558 1.00 0.00 H new ATOM 0 HD11 LEU A 36 63.611 -3.537 14.183 1.00 0.00 H new ATOM 0 HD12 LEU A 36 63.734 -3.143 15.915 1.00 0.00 H new ATOM 0 HD13 LEU A 36 65.091 -3.942 15.085 1.00 0.00 H new ATOM 0 HD21 LEU A 36 63.405 -5.918 13.455 1.00 0.00 H new ATOM 0 HD22 LEU A 36 64.885 -6.321 14.358 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.381 -7.221 14.667 1.00 0.00 H new ATOM 585 N ARG A 37 64.277 -8.183 18.819 1.00 0.00 N ATOM 586 CA ARG A 37 64.869 -8.736 20.031 1.00 0.00 C ATOM 587 C ARG A 37 66.229 -9.357 19.728 1.00 0.00 C ATOM 588 O ARG A 37 66.374 -10.125 18.778 1.00 0.00 O ATOM 589 CB ARG A 37 63.942 -9.798 20.627 1.00 0.00 C ATOM 590 CG ARG A 37 62.975 -9.138 21.611 1.00 0.00 C ATOM 591 CD ARG A 37 61.808 -10.086 21.893 1.00 0.00 C ATOM 592 NE ARG A 37 62.299 -11.337 22.459 1.00 0.00 N ATOM 593 CZ ARG A 37 62.508 -11.465 23.765 1.00 0.00 C ATOM 594 NH1 ARG A 37 62.947 -12.594 24.248 1.00 0.00 N ATOM 595 NH2 ARG A 37 62.273 -10.461 24.565 1.00 0.00 N ATOM 0 H ARG A 37 64.500 -8.694 17.965 1.00 0.00 H new ATOM 0 HA ARG A 37 65.004 -7.927 20.749 1.00 0.00 H new ATOM 0 HB2 ARG A 37 63.386 -10.297 19.833 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.528 -10.564 21.135 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.493 -8.896 22.539 1.00 0.00 H new ATOM 0 HG3 ARG A 37 62.604 -8.200 21.199 1.00 0.00 H new ATOM 0 HD2 ARG A 37 61.108 -9.616 22.584 1.00 0.00 H new ATOM 0 HD3 ARG A 37 61.261 -10.285 20.971 1.00 0.00 H new ATOM 0 HE ARG A 37 62.485 -12.127 21.842 1.00 0.00 H new ATOM 0 HH11 ARG A 37 63.130 -13.379 23.623 1.00 0.00 H new ATOM 0 HH12 ARG A 37 63.107 -12.692 25.251 1.00 0.00 H new ATOM 0 HH21 ARG A 37 61.929 -9.578 24.188 1.00 0.00 H new ATOM 0 HH22 ARG A 37 62.433 -10.559 25.567 1.00 0.00 H new ATOM 609 N ASN A 38 67.222 -9.019 20.544 1.00 0.00 N ATOM 610 CA ASN A 38 68.568 -9.549 20.353 1.00 0.00 C ATOM 611 C ASN A 38 68.715 -10.898 21.049 1.00 0.00 C ATOM 612 O ASN A 38 67.972 -11.214 21.978 1.00 0.00 O ATOM 613 CB ASN A 38 69.600 -8.568 20.912 1.00 0.00 C ATOM 614 CG ASN A 38 70.847 -8.569 20.037 1.00 0.00 C ATOM 615 OD1 ASN A 38 71.084 -9.521 19.292 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.666 -7.553 20.081 1.00 0.00 N ATOM 0 H ASN A 38 67.122 -8.386 21.338 1.00 0.00 H new ATOM 0 HA ASN A 38 68.738 -9.684 19.285 1.00 0.00 H new ATOM 0 HB2 ASN A 38 69.175 -7.565 20.953 1.00 0.00 H new ATOM 0 HB3 ASN A 38 69.862 -8.845 21.933 1.00 0.00 H new ATOM 0 HD21 ASN A 38 72.503 -7.547 19.498 1.00 0.00 H new ATOM 0 HD22 ASN A 38 71.469 -6.765 20.698 1.00 0.00 H new ATOM 623 N ASP A 39 69.681 -11.690 20.594 1.00 0.00 N ATOM 624 CA ASP A 39 69.918 -13.003 21.180 1.00 0.00 C ATOM 625 C ASP A 39 70.022 -12.902 22.698 1.00 0.00 C ATOM 626 O ASP A 39 69.561 -13.784 23.422 1.00 0.00 O ATOM 627 CB ASP A 39 71.209 -13.602 20.617 1.00 0.00 C ATOM 628 CG ASP A 39 71.411 -15.011 21.161 1.00 0.00 C ATOM 629 OD1 ASP A 39 70.666 -15.396 22.046 1.00 0.00 O ATOM 630 OD2 ASP A 39 72.311 -15.685 20.685 1.00 0.00 O ATOM 0 H ASP A 39 70.308 -11.447 19.827 1.00 0.00 H new ATOM 0 HA ASP A 39 69.077 -13.649 20.927 1.00 0.00 H new ATOM 0 HB2 ASP A 39 71.163 -13.627 19.528 1.00 0.00 H new ATOM 0 HB3 ASP A 39 72.058 -12.974 20.886 1.00 0.00 H new ATOM 635 N GLU A 40 70.631 -11.820 23.174 1.00 0.00 N ATOM 636 CA GLU A 40 70.790 -11.614 24.609 1.00 0.00 C ATOM 637 C GLU A 40 69.438 -11.363 25.267 1.00 0.00 C ATOM 638 O GLU A 40 69.354 -11.156 26.477 1.00 0.00 O ATOM 639 CB GLU A 40 71.714 -10.422 24.866 1.00 0.00 C ATOM 640 CG GLU A 40 73.071 -10.676 24.206 1.00 0.00 C ATOM 641 CD GLU A 40 73.830 -11.755 24.972 1.00 0.00 C ATOM 642 OE1 GLU A 40 73.452 -12.030 26.099 1.00 0.00 O ATOM 643 OE2 GLU A 40 74.776 -12.290 24.420 1.00 0.00 O ATOM 0 H GLU A 40 71.020 -11.078 22.592 1.00 0.00 H new ATOM 0 HA GLU A 40 71.229 -12.514 25.040 1.00 0.00 H new ATOM 0 HB2 GLU A 40 71.269 -9.511 24.467 1.00 0.00 H new ATOM 0 HB3 GLU A 40 71.842 -10.272 25.938 1.00 0.00 H new ATOM 0 HG2 GLU A 40 72.929 -10.985 23.171 1.00 0.00 H new ATOM 0 HG3 GLU A 40 73.653 -9.755 24.186 1.00 0.00 H new ATOM 650 N GLY A 41 68.380 -11.382 24.462 1.00 0.00 N ATOM 651 CA GLY A 41 67.035 -11.155 24.977 1.00 0.00 C ATOM 652 C GLY A 41 66.767 -9.664 25.159 1.00 0.00 C ATOM 653 O GLY A 41 65.896 -9.272 25.936 1.00 0.00 O ATOM 0 H GLY A 41 68.427 -11.551 23.457 1.00 0.00 H new ATOM 0 HA2 GLY A 41 66.302 -11.579 24.291 1.00 0.00 H new ATOM 0 HA3 GLY A 41 66.915 -11.669 25.930 1.00 0.00 H new ATOM 657 N THR A 42 67.520 -8.840 24.439 1.00 0.00 N ATOM 658 CA THR A 42 67.354 -7.394 24.529 1.00 0.00 C ATOM 659 C THR A 42 66.289 -6.915 23.547 1.00 0.00 C ATOM 660 O THR A 42 66.483 -6.961 22.333 1.00 0.00 O ATOM 661 CB THR A 42 68.681 -6.696 24.226 1.00 0.00 C ATOM 662 OG1 THR A 42 69.566 -6.868 25.324 1.00 0.00 O ATOM 663 CG2 THR A 42 68.435 -5.204 23.994 1.00 0.00 C ATOM 0 H THR A 42 68.246 -9.145 23.791 1.00 0.00 H new ATOM 0 HA THR A 42 67.036 -7.146 25.542 1.00 0.00 H new ATOM 0 HB THR A 42 69.124 -7.131 23.330 1.00 0.00 H new ATOM 0 HG1 THR A 42 70.417 -6.423 25.131 1.00 0.00 H new ATOM 0 HG21 THR A 42 69.382 -4.708 23.778 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.757 -5.074 23.151 1.00 0.00 H new ATOM 0 HG23 THR A 42 67.991 -4.765 24.888 1.00 0.00 H new ATOM 671 N GLU A 43 65.163 -6.454 24.083 1.00 0.00 N ATOM 672 CA GLU A 43 64.073 -5.967 23.244 1.00 0.00 C ATOM 673 C GLU A 43 64.440 -4.630 22.610 1.00 0.00 C ATOM 674 O GLU A 43 64.435 -3.594 23.274 1.00 0.00 O ATOM 675 CB GLU A 43 62.802 -5.806 24.081 1.00 0.00 C ATOM 676 CG GLU A 43 63.080 -4.863 25.254 1.00 0.00 C ATOM 677 CD GLU A 43 62.165 -5.206 26.425 1.00 0.00 C ATOM 678 OE1 GLU A 43 62.406 -6.217 27.064 1.00 0.00 O ATOM 679 OE2 GLU A 43 61.236 -4.452 26.666 1.00 0.00 O ATOM 0 H GLU A 43 64.982 -6.407 25.086 1.00 0.00 H new ATOM 0 HA GLU A 43 63.897 -6.695 22.452 1.00 0.00 H new ATOM 0 HB2 GLU A 43 61.996 -5.409 23.464 1.00 0.00 H new ATOM 0 HB3 GLU A 43 62.472 -6.777 24.451 1.00 0.00 H new ATOM 0 HG2 GLU A 43 64.123 -4.947 25.560 1.00 0.00 H new ATOM 0 HG3 GLU A 43 62.920 -3.830 24.947 1.00 0.00 H new ATOM 686 N ALA A 44 64.759 -4.660 21.320 1.00 0.00 N ATOM 687 CA ALA A 44 65.129 -3.443 20.606 1.00 0.00 C ATOM 688 C ALA A 44 63.912 -2.842 19.910 1.00 0.00 C ATOM 689 O ALA A 44 63.825 -2.841 18.681 1.00 0.00 O ATOM 690 CB ALA A 44 66.210 -3.754 19.570 1.00 0.00 C ATOM 0 H ALA A 44 64.769 -5.507 20.751 1.00 0.00 H new ATOM 0 HA ALA A 44 65.515 -2.722 21.327 1.00 0.00 H new ATOM 0 HB1 ALA A 44 66.481 -2.840 19.041 1.00 0.00 H new ATOM 0 HB2 ALA A 44 67.090 -4.157 20.072 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.831 -4.487 18.858 1.00 0.00 H new ATOM 696 N GLU A 45 62.976 -2.331 20.702 1.00 0.00 N ATOM 697 CA GLU A 45 61.768 -1.727 20.150 1.00 0.00 C ATOM 698 C GLU A 45 62.114 -0.811 18.981 1.00 0.00 C ATOM 699 O GLU A 45 62.864 0.153 19.135 1.00 0.00 O ATOM 700 CB GLU A 45 61.041 -0.926 21.232 1.00 0.00 C ATOM 701 CG GLU A 45 60.425 -1.888 22.249 1.00 0.00 C ATOM 702 CD GLU A 45 59.856 -1.107 23.428 1.00 0.00 C ATOM 703 OE1 GLU A 45 59.127 -1.697 24.208 1.00 0.00 O ATOM 704 OE2 GLU A 45 60.157 0.071 23.533 1.00 0.00 O ATOM 0 H GLU A 45 63.029 -2.322 21.721 1.00 0.00 H new ATOM 0 HA GLU A 45 61.117 -2.525 19.792 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.737 -0.250 21.729 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.264 -0.308 20.782 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.637 -2.474 21.776 1.00 0.00 H new ATOM 0 HG3 GLU A 45 61.180 -2.592 22.599 1.00 0.00 H new ATOM 711 N ALA A 46 61.562 -1.118 17.811 1.00 0.00 N ATOM 712 CA ALA A 46 61.819 -0.315 16.621 1.00 0.00 C ATOM 713 C ALA A 46 61.308 1.109 16.815 1.00 0.00 C ATOM 714 O ALA A 46 61.936 2.071 16.373 1.00 0.00 O ATOM 715 CB ALA A 46 61.134 -0.945 15.408 1.00 0.00 C ATOM 0 H ALA A 46 60.938 -1.911 17.662 1.00 0.00 H new ATOM 0 HA ALA A 46 62.895 -0.282 16.453 1.00 0.00 H new ATOM 0 HB1 ALA A 46 61.331 -0.339 14.524 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.523 -1.951 15.252 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.059 -0.994 15.582 1.00 0.00 H new ATOM 721 N ASN A 47 60.162 1.236 17.477 1.00 0.00 N ATOM 722 CA ASN A 47 59.574 2.548 17.723 1.00 0.00 C ATOM 723 C ASN A 47 60.480 3.380 18.625 1.00 0.00 C ATOM 724 O ASN A 47 60.153 4.516 18.970 1.00 0.00 O ATOM 725 CB ASN A 47 58.202 2.390 18.380 1.00 0.00 C ATOM 726 CG ASN A 47 57.733 3.731 18.937 1.00 0.00 C ATOM 727 OD1 ASN A 47 57.887 3.996 20.130 1.00 0.00 O ATOM 728 ND2 ASN A 47 57.168 4.596 18.142 1.00 0.00 N ATOM 0 H ASN A 47 59.626 0.453 17.850 1.00 0.00 H new ATOM 0 HA ASN A 47 59.462 3.061 16.768 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.482 2.017 17.652 1.00 0.00 H new ATOM 0 HB3 ASN A 47 58.256 1.653 19.181 1.00 0.00 H new ATOM 0 HD21 ASN A 47 56.852 5.494 18.508 1.00 0.00 H new ATOM 0 HD22 ASN A 47 57.042 4.374 17.154 1.00 0.00 H new ATOM 735 N SER A 48 61.618 2.808 19.003 1.00 0.00 N ATOM 736 CA SER A 48 62.563 3.508 19.866 1.00 0.00 C ATOM 737 C SER A 48 63.928 3.613 19.192 1.00 0.00 C ATOM 738 O SER A 48 64.544 2.601 18.858 1.00 0.00 O ATOM 739 CB SER A 48 62.703 2.767 21.196 1.00 0.00 C ATOM 740 OG SER A 48 63.856 3.243 21.878 1.00 0.00 O ATOM 0 H SER A 48 61.907 1.869 18.728 1.00 0.00 H new ATOM 0 HA SER A 48 62.183 4.513 20.049 1.00 0.00 H new ATOM 0 HB2 SER A 48 61.814 2.922 21.808 1.00 0.00 H new ATOM 0 HB3 SER A 48 62.786 1.694 21.021 1.00 0.00 H new ATOM 0 HG SER A 48 63.949 2.772 22.732 1.00 0.00 H new ATOM 746 N VAL A 49 64.394 4.842 18.998 1.00 0.00 N ATOM 747 CA VAL A 49 65.687 5.066 18.363 1.00 0.00 C ATOM 748 C VAL A 49 66.813 4.518 19.234 1.00 0.00 C ATOM 749 O VAL A 49 67.847 4.082 18.726 1.00 0.00 O ATOM 750 CB VAL A 49 65.902 6.562 18.130 1.00 0.00 C ATOM 751 CG1 VAL A 49 65.071 7.018 16.930 1.00 0.00 C ATOM 752 CG2 VAL A 49 65.467 7.338 19.376 1.00 0.00 C ATOM 0 H VAL A 49 63.900 5.692 19.269 1.00 0.00 H new ATOM 0 HA VAL A 49 65.696 4.545 17.406 1.00 0.00 H new ATOM 0 HB VAL A 49 66.957 6.751 17.932 1.00 0.00 H new ATOM 0 HG11 VAL A 49 65.225 8.084 16.765 1.00 0.00 H new ATOM 0 HG12 VAL A 49 65.379 6.465 16.043 1.00 0.00 H new ATOM 0 HG13 VAL A 49 64.015 6.830 17.126 1.00 0.00 H new ATOM 0 HG21 VAL A 49 65.620 8.405 19.212 1.00 0.00 H new ATOM 0 HG22 VAL A 49 64.412 7.148 19.573 1.00 0.00 H new ATOM 0 HG23 VAL A 49 66.060 7.014 20.232 1.00 0.00 H new ATOM 762 N ILE A 50 66.605 4.544 20.546 1.00 0.00 N ATOM 763 CA ILE A 50 67.610 4.046 21.478 1.00 0.00 C ATOM 764 C ILE A 50 67.874 2.563 21.242 1.00 0.00 C ATOM 765 O ILE A 50 69.006 2.096 21.371 1.00 0.00 O ATOM 766 CB ILE A 50 67.138 4.260 22.916 1.00 0.00 C ATOM 767 CG1 ILE A 50 67.087 5.760 23.218 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.113 3.582 23.880 1.00 0.00 C ATOM 769 CD1 ILE A 50 66.244 6.000 24.472 1.00 0.00 C ATOM 0 H ILE A 50 65.757 4.902 20.985 1.00 0.00 H new ATOM 0 HA ILE A 50 68.536 4.597 21.313 1.00 0.00 H new ATOM 0 HB ILE A 50 66.145 3.829 23.039 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.095 6.147 23.365 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.660 6.298 22.372 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.776 3.735 24.905 1.00 0.00 H new ATOM 0 HG22 ILE A 50 68.152 2.514 23.666 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.106 4.014 23.756 1.00 0.00 H new ATOM 0 HD11 ILE A 50 66.208 7.068 24.687 1.00 0.00 H new ATOM 0 HD12 ILE A 50 65.233 5.628 24.307 1.00 0.00 H new ATOM 0 HD13 ILE A 50 66.690 5.475 25.316 1.00 0.00 H new ATOM 781 N ALA A 51 66.823 1.828 20.895 1.00 0.00 N ATOM 782 CA ALA A 51 66.953 0.397 20.643 1.00 0.00 C ATOM 783 C ALA A 51 67.768 0.149 19.379 1.00 0.00 C ATOM 784 O ALA A 51 68.600 -0.757 19.333 1.00 0.00 O ATOM 785 CB ALA A 51 65.568 -0.234 20.491 1.00 0.00 C ATOM 0 H ALA A 51 65.878 2.196 20.782 1.00 0.00 H new ATOM 0 HA ALA A 51 67.468 -0.057 21.489 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.674 -1.302 20.303 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.996 -0.081 21.406 1.00 0.00 H new ATOM 0 HB3 ALA A 51 65.046 0.232 19.655 1.00 0.00 H new ATOM 791 N LEU A 52 67.524 0.959 18.353 1.00 0.00 N ATOM 792 CA LEU A 52 68.243 0.817 17.092 1.00 0.00 C ATOM 793 C LEU A 52 69.746 0.951 17.315 1.00 0.00 C ATOM 794 O LEU A 52 70.539 0.227 16.713 1.00 0.00 O ATOM 795 CB LEU A 52 67.774 1.884 16.101 1.00 0.00 C ATOM 796 CG LEU A 52 66.339 1.583 15.666 1.00 0.00 C ATOM 797 CD1 LEU A 52 65.851 2.681 14.720 1.00 0.00 C ATOM 798 CD2 LEU A 52 66.299 0.234 14.945 1.00 0.00 C ATOM 0 H LEU A 52 66.839 1.715 18.369 1.00 0.00 H new ATOM 0 HA LEU A 52 68.035 -0.172 16.685 1.00 0.00 H new ATOM 0 HB2 LEU A 52 67.826 2.871 16.561 1.00 0.00 H new ATOM 0 HB3 LEU A 52 68.432 1.903 15.232 1.00 0.00 H new ATOM 0 HG LEU A 52 65.693 1.547 16.543 1.00 0.00 H new ATOM 0 HD11 LEU A 52 64.828 2.466 14.410 1.00 0.00 H new ATOM 0 HD12 LEU A 52 65.881 3.643 15.233 1.00 0.00 H new ATOM 0 HD13 LEU A 52 66.496 2.718 13.842 1.00 0.00 H new ATOM 0 HD21 LEU A 52 65.277 0.018 14.634 1.00 0.00 H new ATOM 0 HD22 LEU A 52 66.945 0.271 14.068 1.00 0.00 H new ATOM 0 HD23 LEU A 52 66.647 -0.549 15.619 1.00 0.00 H new ATOM 810 N LEU A 53 70.130 1.882 18.182 1.00 0.00 N ATOM 811 CA LEU A 53 71.541 2.102 18.475 1.00 0.00 C ATOM 812 C LEU A 53 72.135 0.893 19.192 1.00 0.00 C ATOM 813 O LEU A 53 73.293 0.538 18.974 1.00 0.00 O ATOM 814 CB LEU A 53 71.704 3.347 19.350 1.00 0.00 C ATOM 815 CG LEU A 53 73.183 3.545 19.687 1.00 0.00 C ATOM 816 CD1 LEU A 53 73.973 3.788 18.400 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.336 4.753 20.615 1.00 0.00 C ATOM 0 H LEU A 53 69.490 2.492 18.690 1.00 0.00 H new ATOM 0 HA LEU A 53 72.070 2.247 17.533 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.318 4.223 18.829 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.123 3.239 20.266 1.00 0.00 H new ATOM 0 HG LEU A 53 73.565 2.653 20.184 1.00 0.00 H new ATOM 0 HD11 LEU A 53 75.027 3.929 18.641 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.864 2.929 17.738 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.592 4.680 17.902 1.00 0.00 H new ATOM 0 HD21 LEU A 53 74.389 4.895 20.856 1.00 0.00 H new ATOM 0 HD22 LEU A 53 72.954 5.645 20.118 1.00 0.00 H new ATOM 0 HD23 LEU A 53 72.774 4.580 21.533 1.00 0.00 H new ATOM 829 N MET A 54 71.334 0.265 20.047 1.00 0.00 N ATOM 830 CA MET A 54 71.791 -0.903 20.790 1.00 0.00 C ATOM 831 C MET A 54 72.044 -2.074 19.845 1.00 0.00 C ATOM 832 O MET A 54 72.967 -2.862 20.052 1.00 0.00 O ATOM 833 CB MET A 54 70.745 -1.302 21.832 1.00 0.00 C ATOM 834 CG MET A 54 71.313 -2.402 22.731 1.00 0.00 C ATOM 835 SD MET A 54 72.501 -1.680 23.889 1.00 0.00 S ATOM 836 CE MET A 54 72.958 -3.215 24.731 1.00 0.00 C ATOM 0 H MET A 54 70.372 0.543 20.241 1.00 0.00 H new ATOM 0 HA MET A 54 72.724 -0.648 21.292 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.465 -0.436 22.432 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.839 -1.653 21.338 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.507 -2.892 23.278 1.00 0.00 H new ATOM 0 HG3 MET A 54 71.798 -3.167 22.125 1.00 0.00 H new ATOM 0 HE1 MET A 54 73.697 -3.000 25.503 1.00 0.00 H new ATOM 0 HE2 MET A 54 72.073 -3.656 25.189 1.00 0.00 H new ATOM 0 HE3 MET A 54 73.380 -3.914 24.009 1.00 0.00 H new ATOM 846 N LEU A 55 71.219 -2.181 18.809 1.00 0.00 N ATOM 847 CA LEU A 55 71.362 -3.260 17.839 1.00 0.00 C ATOM 848 C LEU A 55 72.671 -3.116 17.068 1.00 0.00 C ATOM 849 O LEU A 55 73.202 -4.094 16.542 1.00 0.00 O ATOM 850 CB LEU A 55 70.187 -3.244 16.860 1.00 0.00 C ATOM 851 CG LEU A 55 68.890 -3.550 17.613 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.700 -3.394 16.665 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.935 -4.985 18.141 1.00 0.00 C ATOM 0 H LEU A 55 70.450 -1.539 18.620 1.00 0.00 H new ATOM 0 HA LEU A 55 71.372 -4.208 18.377 1.00 0.00 H new ATOM 0 HB2 LEU A 55 70.117 -2.270 16.375 1.00 0.00 H new ATOM 0 HB3 LEU A 55 70.346 -3.981 16.073 1.00 0.00 H new ATOM 0 HG LEU A 55 68.783 -2.857 18.448 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.776 -3.612 17.201 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.668 -2.372 16.287 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.807 -4.087 15.830 1.00 0.00 H new ATOM 0 HD21 LEU A 55 68.012 -5.204 18.678 1.00 0.00 H new ATOM 0 HD22 LEU A 55 69.042 -5.677 17.306 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.783 -5.098 18.817 1.00 0.00 H new ATOM 865 N ASP A 56 73.183 -1.893 17.006 1.00 0.00 N ATOM 866 CA ASP A 56 74.430 -1.631 16.296 1.00 0.00 C ATOM 867 C ASP A 56 75.517 -2.601 16.749 1.00 0.00 C ATOM 868 O ASP A 56 76.337 -3.047 15.946 1.00 0.00 O ATOM 869 CB ASP A 56 74.887 -0.194 16.553 1.00 0.00 C ATOM 870 CG ASP A 56 76.122 0.118 15.716 1.00 0.00 C ATOM 871 OD1 ASP A 56 76.654 -0.801 15.115 1.00 0.00 O ATOM 872 OD2 ASP A 56 76.517 1.272 15.687 1.00 0.00 O ATOM 0 H ASP A 56 72.758 -1.071 17.436 1.00 0.00 H new ATOM 0 HA ASP A 56 74.255 -1.770 15.229 1.00 0.00 H new ATOM 0 HB2 ASP A 56 74.085 0.501 16.306 1.00 0.00 H new ATOM 0 HB3 ASP A 56 75.111 -0.059 17.611 1.00 0.00 H new ATOM 877 N SER A 57 75.517 -2.922 18.038 1.00 0.00 N ATOM 878 CA SER A 57 76.510 -3.839 18.586 1.00 0.00 C ATOM 879 C SER A 57 76.151 -5.283 18.246 1.00 0.00 C ATOM 880 O SER A 57 76.932 -6.202 18.494 1.00 0.00 O ATOM 881 CB SER A 57 76.589 -3.676 20.104 1.00 0.00 C ATOM 882 OG SER A 57 75.367 -4.109 20.688 1.00 0.00 O ATOM 0 H SER A 57 74.846 -2.564 18.718 1.00 0.00 H new ATOM 0 HA SER A 57 77.478 -3.603 18.144 1.00 0.00 H new ATOM 0 HB2 SER A 57 77.421 -4.258 20.501 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.778 -2.633 20.360 1.00 0.00 H new ATOM 0 HG SER A 57 74.635 -3.537 20.376 1.00 0.00 H new ATOM 888 N ALA A 58 74.965 -5.474 17.678 1.00 0.00 N ATOM 889 CA ALA A 58 74.513 -6.811 17.309 1.00 0.00 C ATOM 890 C ALA A 58 75.145 -7.245 15.991 1.00 0.00 C ATOM 891 O ALA A 58 74.558 -8.017 15.234 1.00 0.00 O ATOM 892 CB ALA A 58 72.988 -6.827 17.175 1.00 0.00 C ATOM 0 H ALA A 58 74.304 -4.727 17.464 1.00 0.00 H new ATOM 0 HA ALA A 58 74.817 -7.506 18.091 1.00 0.00 H new ATOM 0 HB1 ALA A 58 72.657 -7.828 16.899 1.00 0.00 H new ATOM 0 HB2 ALA A 58 72.536 -6.545 18.126 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.683 -6.119 16.404 1.00 0.00 H new ATOM 898 N LYS A 59 76.347 -6.743 15.723 1.00 0.00 N ATOM 899 CA LYS A 59 77.051 -7.088 14.493 1.00 0.00 C ATOM 900 C LYS A 59 77.600 -8.508 14.570 1.00 0.00 C ATOM 901 O LYS A 59 78.665 -8.742 15.141 1.00 0.00 O ATOM 902 CB LYS A 59 78.201 -6.106 14.257 1.00 0.00 C ATOM 903 CG LYS A 59 78.686 -6.225 12.811 1.00 0.00 C ATOM 904 CD LYS A 59 79.860 -5.272 12.586 1.00 0.00 C ATOM 905 CE LYS A 59 81.166 -5.971 12.970 1.00 0.00 C ATOM 906 NZ LYS A 59 82.312 -5.051 12.722 1.00 0.00 N ATOM 0 H LYS A 59 76.850 -6.101 16.336 1.00 0.00 H new ATOM 0 HA LYS A 59 76.346 -7.028 13.664 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.870 -5.087 14.458 1.00 0.00 H new ATOM 0 HB3 LYS A 59 79.020 -6.317 14.945 1.00 0.00 H new ATOM 0 HG2 LYS A 59 78.991 -7.250 12.602 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.874 -5.988 12.123 1.00 0.00 H new ATOM 0 HD2 LYS A 59 79.895 -4.961 11.542 1.00 0.00 H new ATOM 0 HD3 LYS A 59 79.729 -4.369 13.183 1.00 0.00 H new ATOM 0 HE2 LYS A 59 81.140 -6.262 14.020 1.00 0.00 H new ATOM 0 HE3 LYS A 59 81.287 -6.885 12.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 83.200 -5.525 12.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 82.339 -4.794 11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 82.197 -4.191 13.296 1.00 0.00 H new ATOM 920 N GLY A 60 76.866 -9.453 13.990 1.00 0.00 N ATOM 921 CA GLY A 60 77.290 -10.849 13.999 1.00 0.00 C ATOM 922 C GLY A 60 76.482 -11.656 15.009 1.00 0.00 C ATOM 923 O GLY A 60 76.794 -12.815 15.285 1.00 0.00 O ATOM 0 H GLY A 60 75.982 -9.280 13.512 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.168 -11.277 13.004 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.350 -10.910 14.244 1.00 0.00 H new ATOM 927 N ARG A 61 75.443 -11.037 15.559 1.00 0.00 N ATOM 928 CA ARG A 61 74.596 -11.708 16.538 1.00 0.00 C ATOM 929 C ARG A 61 73.253 -12.083 15.918 1.00 0.00 C ATOM 930 O ARG A 61 72.938 -11.671 14.803 1.00 0.00 O ATOM 931 CB ARG A 61 74.366 -10.794 17.743 1.00 0.00 C ATOM 932 CG ARG A 61 75.516 -10.963 18.739 1.00 0.00 C ATOM 933 CD ARG A 61 75.298 -10.030 19.932 1.00 0.00 C ATOM 934 NE ARG A 61 76.103 -10.466 21.067 1.00 0.00 N ATOM 935 CZ ARG A 61 77.378 -10.108 21.185 1.00 0.00 C ATOM 936 NH1 ARG A 61 78.076 -10.510 22.210 1.00 0.00 N ATOM 937 NH2 ARG A 61 77.930 -9.354 20.274 1.00 0.00 N ATOM 0 H ARG A 61 75.168 -10.078 15.345 1.00 0.00 H new ATOM 0 HA ARG A 61 75.100 -12.618 16.863 1.00 0.00 H new ATOM 0 HB2 ARG A 61 74.302 -9.756 17.418 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.417 -11.037 18.222 1.00 0.00 H new ATOM 0 HG2 ARG A 61 75.569 -11.998 19.078 1.00 0.00 H new ATOM 0 HG3 ARG A 61 76.466 -10.737 18.256 1.00 0.00 H new ATOM 0 HD2 ARG A 61 75.565 -9.009 19.658 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.243 -10.020 20.207 1.00 0.00 H new ATOM 0 HE ARG A 61 75.680 -11.056 21.783 1.00 0.00 H new ATOM 0 HH11 ARG A 61 77.644 -11.099 22.922 1.00 0.00 H new ATOM 0 HH12 ARG A 61 79.054 -10.235 22.300 1.00 0.00 H new ATOM 0 HH21 ARG A 61 77.383 -9.040 19.472 1.00 0.00 H new ATOM 0 HH22 ARG A 61 78.908 -9.079 20.364 1.00 0.00 H new ATOM 951 N GLN A 62 72.468 -12.866 16.650 1.00 0.00 N ATOM 952 CA GLN A 62 71.161 -13.291 16.163 1.00 0.00 C ATOM 953 C GLN A 62 70.050 -12.526 16.874 1.00 0.00 C ATOM 954 O GLN A 62 70.117 -12.294 18.081 1.00 0.00 O ATOM 955 CB GLN A 62 70.979 -14.793 16.395 1.00 0.00 C ATOM 956 CG GLN A 62 71.762 -15.572 15.337 1.00 0.00 C ATOM 957 CD GLN A 62 71.686 -17.066 15.628 1.00 0.00 C ATOM 958 OE1 GLN A 62 72.184 -17.878 14.848 1.00 0.00 O ATOM 959 NE2 GLN A 62 71.088 -17.481 16.712 1.00 0.00 N ATOM 0 H GLN A 62 72.712 -13.217 17.576 1.00 0.00 H new ATOM 0 HA GLN A 62 71.106 -13.080 15.095 1.00 0.00 H new ATOM 0 HB2 GLN A 62 71.327 -15.062 17.392 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.922 -15.054 16.345 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.356 -15.365 14.347 1.00 0.00 H new ATOM 0 HG3 GLN A 62 72.802 -15.247 15.330 1.00 0.00 H new ATOM 0 HE21 GLN A 62 70.676 -16.807 17.357 1.00 0.00 H new ATOM 0 HE22 GLN A 62 71.033 -18.479 16.914 1.00 0.00 H new ATOM 968 N ILE A 63 69.029 -12.137 16.118 1.00 0.00 N ATOM 969 CA ILE A 63 67.908 -11.398 16.688 1.00 0.00 C ATOM 970 C ILE A 63 66.586 -12.065 16.323 1.00 0.00 C ATOM 971 O ILE A 63 66.526 -12.887 15.408 1.00 0.00 O ATOM 972 CB ILE A 63 67.915 -9.958 16.172 1.00 0.00 C ATOM 973 CG1 ILE A 63 67.734 -9.960 14.652 1.00 0.00 C ATOM 974 CG2 ILE A 63 69.247 -9.296 16.525 1.00 0.00 C ATOM 975 CD1 ILE A 63 67.732 -8.521 14.136 1.00 0.00 C ATOM 0 H ILE A 63 68.954 -12.319 15.117 1.00 0.00 H new ATOM 0 HA ILE A 63 68.013 -11.395 17.773 1.00 0.00 H new ATOM 0 HB ILE A 63 67.099 -9.403 16.635 1.00 0.00 H new ATOM 0 HG12 ILE A 63 68.538 -10.525 14.180 1.00 0.00 H new ATOM 0 HG13 ILE A 63 66.799 -10.454 14.387 1.00 0.00 H new ATOM 0 HG21 ILE A 63 69.252 -8.270 16.157 1.00 0.00 H new ATOM 0 HG22 ILE A 63 69.377 -9.294 17.607 1.00 0.00 H new ATOM 0 HG23 ILE A 63 70.063 -9.851 16.062 1.00 0.00 H new ATOM 0 HD11 ILE A 63 67.603 -8.523 13.054 1.00 0.00 H new ATOM 0 HD12 ILE A 63 66.913 -7.970 14.598 1.00 0.00 H new ATOM 0 HD13 ILE A 63 68.679 -8.043 14.388 1.00 0.00 H new ATOM 987 N GLU A 64 65.528 -11.707 17.044 1.00 0.00 N ATOM 988 CA GLU A 64 64.212 -12.277 16.786 1.00 0.00 C ATOM 989 C GLU A 64 63.207 -11.179 16.451 1.00 0.00 C ATOM 990 O GLU A 64 62.786 -10.423 17.325 1.00 0.00 O ATOM 991 CB GLU A 64 63.729 -13.054 18.013 1.00 0.00 C ATOM 992 CG GLU A 64 64.935 -13.620 18.766 1.00 0.00 C ATOM 993 CD GLU A 64 64.464 -14.485 19.930 1.00 0.00 C ATOM 994 OE1 GLU A 64 63.462 -14.137 20.534 1.00 0.00 O ATOM 995 OE2 GLU A 64 65.112 -15.483 20.201 1.00 0.00 O ATOM 0 H GLU A 64 65.556 -11.030 17.806 1.00 0.00 H new ATOM 0 HA GLU A 64 64.292 -12.953 15.935 1.00 0.00 H new ATOM 0 HB2 GLU A 64 63.153 -12.400 18.667 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.066 -13.863 17.707 1.00 0.00 H new ATOM 0 HG2 GLU A 64 65.552 -14.211 18.089 1.00 0.00 H new ATOM 0 HG3 GLU A 64 65.558 -12.806 19.136 1.00 0.00 H new ATOM 1002 N VAL A 65 62.829 -11.099 15.179 1.00 0.00 N ATOM 1003 CA VAL A 65 61.873 -10.089 14.740 1.00 0.00 C ATOM 1004 C VAL A 65 60.444 -10.594 14.911 1.00 0.00 C ATOM 1005 O VAL A 65 60.078 -11.641 14.379 1.00 0.00 O ATOM 1006 CB VAL A 65 62.121 -9.741 13.271 1.00 0.00 C ATOM 1007 CG1 VAL A 65 61.249 -8.549 12.875 1.00 0.00 C ATOM 1008 CG2 VAL A 65 63.595 -9.381 13.074 1.00 0.00 C ATOM 0 H VAL A 65 63.167 -11.716 14.440 1.00 0.00 H new ATOM 0 HA VAL A 65 62.007 -9.197 15.353 1.00 0.00 H new ATOM 0 HB VAL A 65 61.869 -10.599 12.647 1.00 0.00 H new ATOM 0 HG11 VAL A 65 61.426 -8.301 11.828 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.199 -8.804 13.015 1.00 0.00 H new ATOM 0 HG13 VAL A 65 61.500 -7.691 13.499 1.00 0.00 H new ATOM 0 HG21 VAL A 65 63.772 -9.133 12.027 1.00 0.00 H new ATOM 0 HG22 VAL A 65 63.847 -8.523 13.698 1.00 0.00 H new ATOM 0 HG23 VAL A 65 64.218 -10.230 13.356 1.00 0.00 H new ATOM 1018 N GLU A 66 59.642 -9.842 15.658 1.00 0.00 N ATOM 1019 CA GLU A 66 58.255 -10.223 15.894 1.00 0.00 C ATOM 1020 C GLU A 66 57.308 -9.135 15.398 1.00 0.00 C ATOM 1021 O GLU A 66 57.550 -7.946 15.605 1.00 0.00 O ATOM 1022 CB GLU A 66 58.025 -10.462 17.388 1.00 0.00 C ATOM 1023 CG GLU A 66 56.522 -10.520 17.671 1.00 0.00 C ATOM 1024 CD GLU A 66 56.272 -11.162 19.031 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.240 -11.517 19.683 1.00 0.00 O ATOM 1026 OE2 GLU A 66 55.116 -11.290 19.400 1.00 0.00 O ATOM 0 H GLU A 66 59.926 -8.971 16.107 1.00 0.00 H new ATOM 0 HA GLU A 66 58.052 -11.142 15.345 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.500 -11.394 17.695 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.485 -9.663 17.970 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.101 -9.515 17.651 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.019 -11.092 16.892 1.00 0.00 H new ATOM 1033 N ALA A 67 56.229 -9.550 14.743 1.00 0.00 N ATOM 1034 CA ALA A 67 55.251 -8.602 14.221 1.00 0.00 C ATOM 1035 C ALA A 67 53.833 -9.120 14.439 1.00 0.00 C ATOM 1036 O ALA A 67 53.557 -10.304 14.245 1.00 0.00 O ATOM 1037 CB ALA A 67 55.489 -8.375 12.728 1.00 0.00 C ATOM 0 H ALA A 67 56.010 -10.530 14.562 1.00 0.00 H new ATOM 0 HA ALA A 67 55.367 -7.659 14.755 1.00 0.00 H new ATOM 0 HB1 ALA A 67 54.754 -7.666 12.346 1.00 0.00 H new ATOM 0 HB2 ALA A 67 56.492 -7.976 12.576 1.00 0.00 H new ATOM 0 HB3 ALA A 67 55.391 -9.321 12.196 1.00 0.00 H new ATOM 1043 N THR A 68 52.937 -8.224 14.842 1.00 0.00 N ATOM 1044 CA THR A 68 51.549 -8.602 15.083 1.00 0.00 C ATOM 1045 C THR A 68 50.604 -7.703 14.293 1.00 0.00 C ATOM 1046 O THR A 68 50.806 -6.491 14.215 1.00 0.00 O ATOM 1047 CB THR A 68 51.230 -8.495 16.576 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.223 -9.188 17.321 1.00 0.00 O ATOM 1049 CG2 THR A 68 49.858 -9.112 16.853 1.00 0.00 C ATOM 0 H THR A 68 53.145 -7.239 15.007 1.00 0.00 H new ATOM 0 HA THR A 68 51.411 -9.632 14.755 1.00 0.00 H new ATOM 0 HB THR A 68 51.219 -7.446 16.871 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.022 -9.119 18.278 1.00 0.00 H new ATOM 0 HG21 THR A 68 49.632 -9.035 17.917 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.098 -8.580 16.281 1.00 0.00 H new ATOM 0 HG23 THR A 68 49.865 -10.161 16.559 1.00 0.00 H new ATOM 1057 N GLY A 69 49.573 -8.304 13.710 1.00 0.00 N ATOM 1058 CA GLY A 69 48.602 -7.547 12.928 1.00 0.00 C ATOM 1059 C GLY A 69 48.253 -8.277 11.636 1.00 0.00 C ATOM 1060 O GLY A 69 48.740 -9.379 11.381 1.00 0.00 O ATOM 0 H GLY A 69 49.388 -9.306 13.763 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.698 -7.390 13.517 1.00 0.00 H new ATOM 0 HA3 GLY A 69 49.006 -6.562 12.695 1.00 0.00 H new ATOM 1064 N PRO A 70 47.423 -7.682 10.824 1.00 0.00 N ATOM 1065 CA PRO A 70 46.994 -8.277 9.526 1.00 0.00 C ATOM 1066 C PRO A 70 48.110 -8.248 8.484 1.00 0.00 C ATOM 1067 O PRO A 70 48.174 -9.109 7.606 1.00 0.00 O ATOM 1068 CB PRO A 70 45.820 -7.398 9.093 1.00 0.00 C ATOM 1069 CG PRO A 70 46.036 -6.083 9.766 1.00 0.00 C ATOM 1070 CD PRO A 70 46.803 -6.369 11.058 1.00 0.00 C ATOM 0 HA PRO A 70 46.728 -9.329 9.627 1.00 0.00 H new ATOM 0 HB2 PRO A 70 45.794 -7.284 8.009 1.00 0.00 H new ATOM 0 HB3 PRO A 70 44.869 -7.839 9.390 1.00 0.00 H new ATOM 0 HG2 PRO A 70 46.600 -5.408 9.123 1.00 0.00 H new ATOM 0 HG3 PRO A 70 45.084 -5.598 9.981 1.00 0.00 H new ATOM 0 HD2 PRO A 70 47.553 -5.603 11.254 1.00 0.00 H new ATOM 0 HD3 PRO A 70 46.137 -6.391 11.921 1.00 0.00 H new ATOM 1078 N GLN A 71 48.986 -7.255 8.590 1.00 0.00 N ATOM 1079 CA GLN A 71 50.095 -7.124 7.652 1.00 0.00 C ATOM 1080 C GLN A 71 51.413 -7.488 8.329 1.00 0.00 C ATOM 1081 O GLN A 71 52.489 -7.264 7.773 1.00 0.00 O ATOM 1082 CB GLN A 71 50.168 -5.689 7.126 1.00 0.00 C ATOM 1083 CG GLN A 71 48.971 -5.418 6.213 1.00 0.00 C ATOM 1084 CD GLN A 71 49.044 -3.997 5.667 1.00 0.00 C ATOM 1085 OE1 GLN A 71 48.882 -3.034 6.416 1.00 0.00 O ATOM 1086 NE2 GLN A 71 49.280 -3.807 4.397 1.00 0.00 N ATOM 0 H GLN A 71 48.951 -6.534 9.310 1.00 0.00 H new ATOM 0 HA GLN A 71 49.926 -7.807 6.819 1.00 0.00 H new ATOM 0 HB2 GLN A 71 50.171 -4.985 7.958 1.00 0.00 H new ATOM 0 HB3 GLN A 71 51.098 -5.538 6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 71 48.962 -6.133 5.390 1.00 0.00 H new ATOM 0 HG3 GLN A 71 48.042 -5.557 6.766 1.00 0.00 H new ATOM 0 HE21 GLN A 71 49.414 -4.607 3.778 1.00 0.00 H new ATOM 0 HE22 GLN A 71 49.330 -2.859 4.024 1.00 0.00 H new ATOM 1095 N GLU A 72 51.321 -8.050 9.529 1.00 0.00 N ATOM 1096 CA GLU A 72 52.514 -8.440 10.272 1.00 0.00 C ATOM 1097 C GLU A 72 53.475 -9.213 9.374 1.00 0.00 C ATOM 1098 O GLU A 72 54.681 -8.969 9.386 1.00 0.00 O ATOM 1099 CB GLU A 72 52.121 -9.308 11.469 1.00 0.00 C ATOM 1100 CG GLU A 72 51.462 -10.596 10.974 1.00 0.00 C ATOM 1101 CD GLU A 72 50.704 -11.267 12.115 1.00 0.00 C ATOM 1102 OE1 GLU A 72 51.311 -11.496 13.148 1.00 0.00 O ATOM 1103 OE2 GLU A 72 49.529 -11.542 11.938 1.00 0.00 O ATOM 0 H GLU A 72 50.440 -8.245 10.005 1.00 0.00 H new ATOM 0 HA GLU A 72 53.012 -7.537 10.625 1.00 0.00 H new ATOM 0 HB2 GLU A 72 53.003 -9.544 12.065 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.435 -8.762 12.117 1.00 0.00 H new ATOM 0 HG2 GLU A 72 50.779 -10.373 10.155 1.00 0.00 H new ATOM 0 HG3 GLU A 72 52.220 -11.274 10.582 1.00 0.00 H new ATOM 1110 N GLU A 73 52.931 -10.144 8.596 1.00 0.00 N ATOM 1111 CA GLU A 73 53.752 -10.946 7.695 1.00 0.00 C ATOM 1112 C GLU A 73 54.499 -10.051 6.713 1.00 0.00 C ATOM 1113 O GLU A 73 55.687 -10.247 6.459 1.00 0.00 O ATOM 1114 CB GLU A 73 52.871 -11.930 6.924 1.00 0.00 C ATOM 1115 CG GLU A 73 51.558 -11.247 6.537 1.00 0.00 C ATOM 1116 CD GLU A 73 50.856 -12.048 5.447 1.00 0.00 C ATOM 1117 OE1 GLU A 73 51.472 -12.280 4.419 1.00 0.00 O ATOM 1118 OE2 GLU A 73 49.711 -12.418 5.654 1.00 0.00 O ATOM 0 H GLU A 73 51.935 -10.361 8.571 1.00 0.00 H new ATOM 0 HA GLU A 73 54.479 -11.499 8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 73 53.390 -12.276 6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 73 52.669 -12.809 7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.912 -11.162 7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 73 51.755 -10.234 6.186 1.00 0.00 H new ATOM 1125 N GLU A 74 53.794 -9.067 6.163 1.00 0.00 N ATOM 1126 CA GLU A 74 54.402 -8.146 5.209 1.00 0.00 C ATOM 1127 C GLU A 74 55.585 -7.423 5.842 1.00 0.00 C ATOM 1128 O GLU A 74 56.662 -7.339 5.252 1.00 0.00 O ATOM 1129 CB GLU A 74 53.367 -7.122 4.739 1.00 0.00 C ATOM 1130 CG GLU A 74 52.291 -7.826 3.910 1.00 0.00 C ATOM 1131 CD GLU A 74 51.396 -6.794 3.234 1.00 0.00 C ATOM 1132 OE1 GLU A 74 51.664 -5.614 3.388 1.00 0.00 O ATOM 1133 OE2 GLU A 74 50.453 -7.199 2.572 1.00 0.00 O ATOM 0 H GLU A 74 52.809 -8.888 6.359 1.00 0.00 H new ATOM 0 HA GLU A 74 54.758 -8.721 4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 74 52.913 -6.627 5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 74 53.851 -6.347 4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 74 52.758 -8.463 3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 74 51.693 -8.474 4.550 1.00 0.00 H new ATOM 1140 N ALA A 75 55.378 -6.902 7.048 1.00 0.00 N ATOM 1141 CA ALA A 75 56.436 -6.188 7.752 1.00 0.00 C ATOM 1142 C ALA A 75 57.685 -7.057 7.865 1.00 0.00 C ATOM 1143 O ALA A 75 58.798 -6.598 7.607 1.00 0.00 O ATOM 1144 CB ALA A 75 55.959 -5.794 9.151 1.00 0.00 C ATOM 0 H ALA A 75 54.494 -6.960 7.554 1.00 0.00 H new ATOM 0 HA ALA A 75 56.681 -5.290 7.185 1.00 0.00 H new ATOM 0 HB1 ALA A 75 56.755 -5.261 9.670 1.00 0.00 H new ATOM 0 HB2 ALA A 75 55.084 -5.149 9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 75 55.697 -6.691 9.712 1.00 0.00 H new ATOM 1150 N LEU A 76 57.492 -8.314 8.250 1.00 0.00 N ATOM 1151 CA LEU A 76 58.610 -9.239 8.393 1.00 0.00 C ATOM 1152 C LEU A 76 59.262 -9.503 7.040 1.00 0.00 C ATOM 1153 O LEU A 76 60.487 -9.521 6.922 1.00 0.00 O ATOM 1154 CB LEU A 76 58.124 -10.559 8.995 1.00 0.00 C ATOM 1155 CG LEU A 76 58.553 -10.641 10.460 1.00 0.00 C ATOM 1156 CD1 LEU A 76 58.036 -9.413 11.213 1.00 0.00 C ATOM 1157 CD2 LEU A 76 57.969 -11.907 11.090 1.00 0.00 C ATOM 0 H LEU A 76 56.579 -8.713 8.467 1.00 0.00 H new ATOM 0 HA LEU A 76 59.347 -8.788 9.057 1.00 0.00 H new ATOM 0 HB2 LEU A 76 57.039 -10.628 8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 76 58.537 -11.399 8.437 1.00 0.00 H new ATOM 0 HG LEU A 76 59.641 -10.672 10.519 1.00 0.00 H new ATOM 0 HD11 LEU A 76 58.342 -9.471 12.258 1.00 0.00 H new ATOM 0 HD12 LEU A 76 58.449 -8.510 10.764 1.00 0.00 H new ATOM 0 HD13 LEU A 76 56.948 -9.382 11.155 1.00 0.00 H new ATOM 0 HD21 LEU A 76 58.274 -11.967 12.135 1.00 0.00 H new ATOM 0 HD22 LEU A 76 56.881 -11.874 11.031 1.00 0.00 H new ATOM 0 HD23 LEU A 76 58.335 -12.782 10.554 1.00 0.00 H new ATOM 1169 N ALA A 77 58.434 -9.709 6.020 1.00 0.00 N ATOM 1170 CA ALA A 77 58.940 -9.970 4.678 1.00 0.00 C ATOM 1171 C ALA A 77 59.772 -8.792 4.182 1.00 0.00 C ATOM 1172 O ALA A 77 60.848 -8.977 3.612 1.00 0.00 O ATOM 1173 CB ALA A 77 57.774 -10.215 3.717 1.00 0.00 C ATOM 0 H ALA A 77 57.417 -9.700 6.097 1.00 0.00 H new ATOM 0 HA ALA A 77 59.572 -10.858 4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 77 58.161 -10.409 2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 77 57.198 -11.076 4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 77 57.131 -9.335 3.693 1.00 0.00 H new ATOM 1179 N ALA A 78 59.268 -7.583 4.405 1.00 0.00 N ATOM 1180 CA ALA A 78 59.975 -6.381 3.977 1.00 0.00 C ATOM 1181 C ALA A 78 61.304 -6.252 4.714 1.00 0.00 C ATOM 1182 O ALA A 78 62.328 -5.929 4.115 1.00 0.00 O ATOM 1183 CB ALA A 78 59.115 -5.145 4.248 1.00 0.00 C ATOM 0 H ALA A 78 58.380 -7.410 4.876 1.00 0.00 H new ATOM 0 HA ALA A 78 60.172 -6.458 2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 78 59.650 -4.252 3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 78 58.178 -5.226 3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 78 58.903 -5.076 5.315 1.00 0.00 H new ATOM 1189 N VAL A 79 61.277 -6.509 6.018 1.00 0.00 N ATOM 1190 CA VAL A 79 62.487 -6.420 6.828 1.00 0.00 C ATOM 1191 C VAL A 79 63.454 -7.542 6.467 1.00 0.00 C ATOM 1192 O VAL A 79 64.656 -7.315 6.323 1.00 0.00 O ATOM 1193 CB VAL A 79 62.129 -6.509 8.313 1.00 0.00 C ATOM 1194 CG1 VAL A 79 63.403 -6.407 9.152 1.00 0.00 C ATOM 1195 CG2 VAL A 79 61.185 -5.361 8.679 1.00 0.00 C ATOM 0 H VAL A 79 60.439 -6.778 6.533 1.00 0.00 H new ATOM 0 HA VAL A 79 62.968 -5.462 6.628 1.00 0.00 H new ATOM 0 HB VAL A 79 61.638 -7.462 8.512 1.00 0.00 H new ATOM 0 HG11 VAL A 79 63.148 -6.470 10.210 1.00 0.00 H new ATOM 0 HG12 VAL A 79 64.077 -7.223 8.892 1.00 0.00 H new ATOM 0 HG13 VAL A 79 63.894 -5.454 8.954 1.00 0.00 H new ATOM 0 HG21 VAL A 79 60.929 -5.423 9.737 1.00 0.00 H new ATOM 0 HG22 VAL A 79 61.676 -4.409 8.480 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.276 -5.432 8.081 1.00 0.00 H new ATOM 1205 N ILE A 80 62.922 -8.751 6.322 1.00 0.00 N ATOM 1206 CA ILE A 80 63.749 -9.901 5.976 1.00 0.00 C ATOM 1207 C ILE A 80 64.393 -9.702 4.607 1.00 0.00 C ATOM 1208 O ILE A 80 65.571 -10.006 4.414 1.00 0.00 O ATOM 1209 CB ILE A 80 62.898 -11.171 5.961 1.00 0.00 C ATOM 1210 CG1 ILE A 80 62.594 -11.597 7.400 1.00 0.00 C ATOM 1211 CG2 ILE A 80 63.660 -12.290 5.251 1.00 0.00 C ATOM 1212 CD1 ILE A 80 61.550 -12.714 7.393 1.00 0.00 C ATOM 0 H ILE A 80 61.930 -8.959 6.438 1.00 0.00 H new ATOM 0 HA ILE A 80 64.534 -10.000 6.725 1.00 0.00 H new ATOM 0 HB ILE A 80 61.965 -10.975 5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 80 63.506 -11.940 7.889 1.00 0.00 H new ATOM 0 HG13 ILE A 80 62.227 -10.745 7.972 1.00 0.00 H new ATOM 0 HG21 ILE A 80 63.052 -13.195 5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 80 63.878 -11.988 4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 80 64.594 -12.486 5.778 1.00 0.00 H new ATOM 0 HD11 ILE A 80 61.334 -13.017 8.418 1.00 0.00 H new ATOM 0 HD12 ILE A 80 60.636 -12.355 6.921 1.00 0.00 H new ATOM 0 HD13 ILE A 80 61.935 -13.568 6.836 1.00 0.00 H new ATOM 1224 N ALA A 81 63.613 -9.189 3.662 1.00 0.00 N ATOM 1225 CA ALA A 81 64.119 -8.952 2.315 1.00 0.00 C ATOM 1226 C ALA A 81 65.248 -7.927 2.342 1.00 0.00 C ATOM 1227 O ALA A 81 66.200 -8.017 1.567 1.00 0.00 O ATOM 1228 CB ALA A 81 62.990 -8.447 1.414 1.00 0.00 C ATOM 0 H ALA A 81 62.636 -8.931 3.802 1.00 0.00 H new ATOM 0 HA ALA A 81 64.505 -9.892 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 81 63.376 -8.272 0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 81 62.196 -9.193 1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 81 62.592 -7.516 1.817 1.00 0.00 H new ATOM 1234 N LEU A 82 65.134 -6.954 3.240 1.00 0.00 N ATOM 1235 CA LEU A 82 66.152 -5.918 3.362 1.00 0.00 C ATOM 1236 C LEU A 82 67.411 -6.480 4.014 1.00 0.00 C ATOM 1237 O LEU A 82 68.529 -6.163 3.606 1.00 0.00 O ATOM 1238 CB LEU A 82 65.618 -4.755 4.200 1.00 0.00 C ATOM 1239 CG LEU A 82 65.224 -3.599 3.278 1.00 0.00 C ATOM 1240 CD1 LEU A 82 66.483 -2.976 2.674 1.00 0.00 C ATOM 1241 CD2 LEU A 82 64.327 -4.125 2.156 1.00 0.00 C ATOM 0 H LEU A 82 64.353 -6.861 3.889 1.00 0.00 H new ATOM 0 HA LEU A 82 66.401 -5.561 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 82 64.756 -5.079 4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 82 66.377 -4.426 4.909 1.00 0.00 H new ATOM 0 HG LEU A 82 64.685 -2.845 3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 82 66.202 -2.153 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 82 67.123 -2.601 3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 82 67.023 -3.730 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 82 64.046 -3.302 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 82 64.866 -4.879 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 82 63.429 -4.569 2.586 1.00 0.00 H new ATOM 1253 N PHE A 83 67.222 -7.319 5.027 1.00 0.00 N ATOM 1254 CA PHE A 83 68.349 -7.922 5.727 1.00 0.00 C ATOM 1255 C PHE A 83 69.073 -8.912 4.822 1.00 0.00 C ATOM 1256 O PHE A 83 70.289 -9.080 4.916 1.00 0.00 O ATOM 1257 CB PHE A 83 67.857 -8.644 6.984 1.00 0.00 C ATOM 1258 CG PHE A 83 67.580 -7.632 8.070 1.00 0.00 C ATOM 1259 CD1 PHE A 83 67.014 -6.394 7.745 1.00 0.00 C ATOM 1260 CD2 PHE A 83 67.890 -7.933 9.402 1.00 0.00 C ATOM 1261 CE1 PHE A 83 66.757 -5.456 8.752 1.00 0.00 C ATOM 1262 CE2 PHE A 83 67.634 -6.995 10.409 1.00 0.00 C ATOM 1263 CZ PHE A 83 67.067 -5.756 10.085 1.00 0.00 C ATOM 0 H PHE A 83 66.305 -7.595 5.379 1.00 0.00 H new ATOM 0 HA PHE A 83 69.043 -7.130 6.010 1.00 0.00 H new ATOM 0 HB2 PHE A 83 66.953 -9.210 6.761 1.00 0.00 H new ATOM 0 HB3 PHE A 83 68.606 -9.360 7.322 1.00 0.00 H new ATOM 0 HD1 PHE A 83 66.776 -6.162 6.717 1.00 0.00 H new ATOM 0 HD2 PHE A 83 68.326 -8.889 9.652 1.00 0.00 H new ATOM 0 HE1 PHE A 83 66.320 -4.501 8.501 1.00 0.00 H new ATOM 0 HE2 PHE A 83 67.874 -7.227 11.436 1.00 0.00 H new ATOM 0 HZ PHE A 83 66.869 -5.032 10.862 1.00 0.00 H new