USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 465 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 60 LEU C :(NH2R) USER MOD NoAdj-H: A 1 LEU H3 : A 1 LEU N : A 60 LEU C :(NH2R) USER MOD Single : A 1 LEU N :NH3+ 151:sc= -0.164 (180deg=-0.549) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.984 K(o=-0.98,f=-3.8!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= -0.0346 (180deg=-0.22) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0348 USER MOD Single : A 26 SER OG : rot 160:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -150:sc= -3.99! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0668) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.015) USER MOD Single : A 55 LYS NZ :NH3+ -126:sc= -0.0141 (180deg=-1.04) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.065 X(o=-0.065,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.694 0.208 0.013 1.00 12.01 N ATOM 2 CA LEU A 1 2.495 0.235 -1.206 1.00 12.42 C ATOM 3 C LEU A 1 2.413 -1.098 -1.941 1.00 61.42 C ATOM 4 O LEU A 1 2.083 -1.147 -3.126 1.00 45.24 O ATOM 5 CB LEU A 1 3.953 0.560 -0.874 1.00 75.35 C ATOM 6 CG LEU A 1 4.447 1.941 -1.305 1.00 24.03 C ATOM 7 CD1 LEU A 1 3.528 3.028 -0.770 1.00 20.11 C ATOM 8 CD2 LEU A 1 5.876 2.167 -0.831 1.00 13.20 C ATOM 0 H1 LEU A 1 2.109 0.853 0.716 1.00 12.01 H new ATOM 0 HA LEU A 1 2.095 1.012 -1.857 1.00 12.42 H new ATOM 0 HB2 LEU A 1 4.089 0.468 0.204 1.00 75.35 H new ATOM 0 HB3 LEU A 1 4.588 -0.193 -1.341 1.00 75.35 H new ATOM 0 HG LEU A 1 4.434 1.987 -2.394 1.00 24.03 H new ATOM 0 HD11 LEU A 1 3.896 4.004 -1.087 1.00 20.11 H new ATOM 0 HD12 LEU A 1 2.521 2.876 -1.158 1.00 20.11 H new ATOM 0 HD13 LEU A 1 3.508 2.984 0.319 1.00 20.11 H new ATOM 0 HD21 LEU A 1 6.212 3.155 -1.146 1.00 13.20 H new ATOM 0 HD22 LEU A 1 5.913 2.101 0.256 1.00 13.20 H new ATOM 0 HD23 LEU A 1 6.527 1.407 -1.263 1.00 13.20 H new ATOM 20 N VAL A 2 2.714 -2.180 -1.229 1.00 75.24 N ATOM 21 CA VAL A 2 2.671 -3.516 -1.813 1.00 51.52 C ATOM 22 C VAL A 2 1.257 -3.877 -2.255 1.00 64.23 C ATOM 23 O VAL A 2 1.043 -4.318 -3.384 1.00 52.31 O ATOM 24 CB VAL A 2 3.174 -4.579 -0.819 1.00 50.00 C ATOM 25 CG1 VAL A 2 3.278 -5.937 -1.497 1.00 11.25 C ATOM 26 CG2 VAL A 2 4.513 -4.165 -0.229 1.00 3.43 C ATOM 0 H VAL A 2 2.990 -2.158 -0.247 1.00 75.24 H new ATOM 0 HA VAL A 2 3.328 -3.503 -2.683 1.00 51.52 H new ATOM 0 HB VAL A 2 2.454 -4.660 -0.005 1.00 50.00 H new ATOM 0 HG11 VAL A 2 3.635 -6.676 -0.779 1.00 11.25 H new ATOM 0 HG12 VAL A 2 2.297 -6.235 -1.867 1.00 11.25 H new ATOM 0 HG13 VAL A 2 3.977 -5.875 -2.331 1.00 11.25 H new ATOM 0 HG21 VAL A 2 4.853 -4.928 0.471 1.00 3.43 H new ATOM 0 HG22 VAL A 2 5.245 -4.055 -1.029 1.00 3.43 H new ATOM 0 HG23 VAL A 2 4.402 -3.215 0.295 1.00 3.43 H new ATOM 36 N ALA A 3 0.296 -3.688 -1.358 1.00 11.53 N ATOM 37 CA ALA A 3 -1.098 -3.991 -1.656 1.00 32.31 C ATOM 38 C ALA A 3 -1.630 -3.094 -2.769 1.00 24.52 C ATOM 39 O ALA A 3 -2.514 -3.489 -3.528 1.00 74.55 O ATOM 40 CB ALA A 3 -1.950 -3.843 -0.404 1.00 31.11 C ATOM 0 H ALA A 3 0.457 -3.326 -0.418 1.00 11.53 H new ATOM 0 HA ALA A 3 -1.153 -5.024 -2.000 1.00 32.31 H new ATOM 0 HB1 ALA A 3 -2.989 -4.072 -0.642 1.00 31.11 H new ATOM 0 HB2 ALA A 3 -1.593 -4.531 0.363 1.00 31.11 H new ATOM 0 HB3 ALA A 3 -1.880 -2.820 -0.035 1.00 31.11 H new ATOM 46 N TYR A 4 -1.085 -1.886 -2.859 1.00 70.32 N ATOM 47 CA TYR A 4 -1.507 -0.932 -3.878 1.00 21.12 C ATOM 48 C TYR A 4 -0.972 -1.328 -5.250 1.00 65.14 C ATOM 49 O TYR A 4 -1.712 -1.362 -6.232 1.00 41.53 O ATOM 50 CB TYR A 4 -1.028 0.475 -3.518 1.00 2.22 C ATOM 51 CG TYR A 4 -2.092 1.329 -2.867 1.00 54.31 C ATOM 52 CD1 TYR A 4 -3.301 1.576 -3.507 1.00 63.30 C ATOM 53 CD2 TYR A 4 -1.890 1.889 -1.612 1.00 0.24 C ATOM 54 CE1 TYR A 4 -4.276 2.356 -2.916 1.00 44.04 C ATOM 55 CE2 TYR A 4 -2.860 2.670 -1.013 1.00 21.43 C ATOM 56 CZ TYR A 4 -4.051 2.901 -1.669 1.00 63.43 C ATOM 57 OH TYR A 4 -5.020 3.677 -1.077 1.00 0.30 O ATOM 0 H TYR A 4 -0.351 -1.544 -2.239 1.00 70.32 H new ATOM 0 HA TYR A 4 -2.596 -0.939 -3.917 1.00 21.12 H new ATOM 0 HB2 TYR A 4 -0.174 0.398 -2.845 1.00 2.22 H new ATOM 0 HB3 TYR A 4 -0.677 0.973 -4.422 1.00 2.22 H new ATOM 0 HD1 TYR A 4 -3.481 1.151 -4.483 1.00 63.30 H new ATOM 0 HD2 TYR A 4 -0.959 1.711 -1.095 1.00 0.24 H new ATOM 0 HE1 TYR A 4 -5.210 2.538 -3.428 1.00 44.04 H new ATOM 0 HE2 TYR A 4 -2.686 3.097 -0.036 1.00 21.43 H new ATOM 0 HH TYR A 4 -4.704 3.983 -0.201 1.00 0.30 H new ATOM 67 N GLY A 5 0.322 -1.629 -5.310 1.00 5.43 N ATOM 68 CA GLY A 5 0.937 -2.019 -6.565 1.00 75.13 C ATOM 69 C GLY A 5 2.445 -1.868 -6.545 1.00 33.54 C ATOM 70 O GLY A 5 3.156 -2.579 -7.256 1.00 33.01 O ATOM 0 H GLY A 5 0.956 -1.610 -4.511 1.00 5.43 H new ATOM 0 HA2 GLY A 5 0.682 -3.056 -6.784 1.00 75.13 H new ATOM 0 HA3 GLY A 5 0.525 -1.412 -7.372 1.00 75.13 H new ATOM 74 N ILE A 6 2.934 -0.940 -5.729 1.00 71.42 N ATOM 75 CA ILE A 6 4.367 -0.699 -5.620 1.00 2.11 C ATOM 76 C ILE A 6 5.108 -1.966 -5.206 1.00 42.14 C ATOM 77 O ILE A 6 4.754 -2.610 -4.219 1.00 44.22 O ATOM 78 CB ILE A 6 4.674 0.417 -4.604 1.00 22.24 C ATOM 79 CG1 ILE A 6 3.976 1.716 -5.013 1.00 24.52 C ATOM 80 CG2 ILE A 6 6.176 0.630 -4.489 1.00 22.35 C ATOM 81 CD1 ILE A 6 4.352 2.193 -6.398 1.00 64.01 C ATOM 0 H ILE A 6 2.359 -0.343 -5.134 1.00 71.42 H new ATOM 0 HA ILE A 6 4.710 -0.386 -6.606 1.00 2.11 H new ATOM 0 HB ILE A 6 4.294 0.114 -3.628 1.00 22.24 H new ATOM 0 HG12 ILE A 6 2.897 1.569 -4.969 1.00 24.52 H new ATOM 0 HG13 ILE A 6 4.222 2.494 -4.290 1.00 24.52 H new ATOM 0 HG21 ILE A 6 6.377 1.422 -3.767 1.00 22.35 H new ATOM 0 HG22 ILE A 6 6.650 -0.293 -4.156 1.00 22.35 H new ATOM 0 HG23 ILE A 6 6.579 0.914 -5.461 1.00 22.35 H new ATOM 0 HD11 ILE A 6 3.820 3.118 -6.621 1.00 64.01 H new ATOM 0 HD12 ILE A 6 5.426 2.373 -6.442 1.00 64.01 H new ATOM 0 HD13 ILE A 6 4.081 1.433 -7.131 1.00 64.01 H new ATOM 93 N ALA A 7 6.140 -2.317 -5.968 1.00 15.34 N ATOM 94 CA ALA A 7 6.933 -3.504 -5.678 1.00 65.42 C ATOM 95 C ALA A 7 7.399 -3.513 -4.226 1.00 61.01 C ATOM 96 O ALA A 7 7.914 -2.514 -3.725 1.00 22.23 O ATOM 97 CB ALA A 7 8.128 -3.583 -6.618 1.00 15.11 C ATOM 0 H ALA A 7 6.445 -1.796 -6.790 1.00 15.34 H new ATOM 0 HA ALA A 7 6.302 -4.379 -5.835 1.00 65.42 H new ATOM 0 HB1 ALA A 7 8.712 -4.475 -6.390 1.00 15.11 H new ATOM 0 HB2 ALA A 7 7.777 -3.632 -7.649 1.00 15.11 H new ATOM 0 HB3 ALA A 7 8.752 -2.698 -6.489 1.00 15.11 H new ATOM 103 N GLN A 8 7.214 -4.646 -3.557 1.00 33.22 N ATOM 104 CA GLN A 8 7.614 -4.783 -2.161 1.00 41.14 C ATOM 105 C GLN A 8 9.122 -4.613 -2.009 1.00 10.14 C ATOM 106 O GLN A 8 9.601 -4.121 -0.988 1.00 10.40 O ATOM 107 CB GLN A 8 7.185 -6.146 -1.617 1.00 32.41 C ATOM 108 CG GLN A 8 8.064 -7.294 -2.087 1.00 45.41 C ATOM 109 CD GLN A 8 8.031 -7.476 -3.592 1.00 34.34 C ATOM 110 OE1 GLN A 8 6.973 -7.388 -4.216 1.00 12.43 O ATOM 111 NE2 GLN A 8 9.191 -7.733 -4.183 1.00 44.03 N ATOM 0 H GLN A 8 6.790 -5.482 -3.958 1.00 33.22 H new ATOM 0 HA GLN A 8 7.118 -3.999 -1.588 1.00 41.14 H new ATOM 0 HB2 GLN A 8 7.197 -6.113 -0.528 1.00 32.41 H new ATOM 0 HB3 GLN A 8 6.156 -6.341 -1.919 1.00 32.41 H new ATOM 0 HG2 GLN A 8 9.091 -7.114 -1.769 1.00 45.41 H new ATOM 0 HG3 GLN A 8 7.738 -8.216 -1.606 1.00 45.41 H new ATOM 0 HE21 GLN A 8 10.044 -7.797 -3.627 1.00 44.03 H new ATOM 0 HE22 GLN A 8 9.230 -7.866 -5.193 1.00 44.03 H new ATOM 120 N GLY A 9 9.866 -5.025 -3.031 1.00 12.40 N ATOM 121 CA GLY A 9 11.312 -4.910 -2.990 1.00 11.31 C ATOM 122 C GLY A 9 11.777 -3.469 -2.918 1.00 43.14 C ATOM 123 O GLY A 9 12.583 -3.110 -2.059 1.00 63.02 O ATOM 0 H GLY A 9 9.493 -5.436 -3.887 1.00 12.40 H new ATOM 0 HA2 GLY A 9 11.692 -5.455 -2.126 1.00 11.31 H new ATOM 0 HA3 GLY A 9 11.736 -5.382 -3.876 1.00 11.31 H new ATOM 127 N THR A 10 11.270 -2.639 -3.825 1.00 63.11 N ATOM 128 CA THR A 10 11.641 -1.230 -3.863 1.00 72.14 C ATOM 129 C THR A 10 10.926 -0.444 -2.770 1.00 42.34 C ATOM 130 O THR A 10 11.464 0.527 -2.238 1.00 70.15 O ATOM 131 CB THR A 10 11.314 -0.600 -5.231 1.00 31.34 C ATOM 132 OG1 THR A 10 12.026 -1.284 -6.268 1.00 5.42 O ATOM 133 CG2 THR A 10 11.678 0.877 -5.247 1.00 35.22 C ATOM 0 H THR A 10 10.601 -2.919 -4.543 1.00 63.11 H new ATOM 0 HA THR A 10 12.717 -1.181 -3.697 1.00 72.14 H new ATOM 0 HB THR A 10 10.242 -0.695 -5.404 1.00 31.34 H new ATOM 0 HG1 THR A 10 11.812 -0.879 -7.134 1.00 5.42 H new ATOM 0 HG21 THR A 10 11.438 1.300 -6.222 1.00 35.22 H new ATOM 0 HG22 THR A 10 11.112 1.400 -4.476 1.00 35.22 H new ATOM 0 HG23 THR A 10 12.745 0.991 -5.054 1.00 35.22 H new ATOM 141 N ALA A 11 9.712 -0.869 -2.440 1.00 35.45 N ATOM 142 CA ALA A 11 8.924 -0.206 -1.407 1.00 64.24 C ATOM 143 C ALA A 11 9.724 -0.059 -0.117 1.00 51.53 C ATOM 144 O ALA A 11 9.718 1.001 0.509 1.00 72.41 O ATOM 145 CB ALA A 11 7.638 -0.976 -1.148 1.00 60.22 C ATOM 0 H ALA A 11 9.252 -1.670 -2.873 1.00 35.45 H new ATOM 0 HA ALA A 11 8.671 0.793 -1.763 1.00 64.24 H new ATOM 0 HB1 ALA A 11 7.060 -0.470 -0.375 1.00 60.22 H new ATOM 0 HB2 ALA A 11 7.052 -1.025 -2.066 1.00 60.22 H new ATOM 0 HB3 ALA A 11 7.879 -1.986 -0.818 1.00 60.22 H new ATOM 151 N GLU A 12 10.410 -1.128 0.274 1.00 42.31 N ATOM 152 CA GLU A 12 11.213 -1.116 1.491 1.00 2.10 C ATOM 153 C GLU A 12 12.169 0.073 1.500 1.00 5.24 C ATOM 154 O GLU A 12 12.223 0.835 2.466 1.00 34.34 O ATOM 155 CB GLU A 12 12.003 -2.420 1.620 1.00 34.25 C ATOM 156 CG GLU A 12 11.215 -3.547 2.267 1.00 75.11 C ATOM 157 CD GLU A 12 11.881 -4.898 2.095 1.00 74.43 C ATOM 158 OE1 GLU A 12 12.844 -4.988 1.305 1.00 52.14 O ATOM 159 OE2 GLU A 12 11.439 -5.866 2.749 1.00 2.22 O ATOM 0 H GLU A 12 10.426 -2.013 -0.234 1.00 42.31 H new ATOM 0 HA GLU A 12 10.537 -1.023 2.341 1.00 2.10 H new ATOM 0 HB2 GLU A 12 12.328 -2.737 0.629 1.00 34.25 H new ATOM 0 HB3 GLU A 12 12.903 -2.234 2.206 1.00 34.25 H new ATOM 0 HG2 GLU A 12 11.095 -3.338 3.330 1.00 75.11 H new ATOM 0 HG3 GLU A 12 10.215 -3.581 1.834 1.00 75.11 H new ATOM 166 N LYS A 13 12.925 0.226 0.418 1.00 54.12 N ATOM 167 CA LYS A 13 13.879 1.322 0.299 1.00 62.33 C ATOM 168 C LYS A 13 13.159 2.663 0.203 1.00 70.14 C ATOM 169 O LYS A 13 13.607 3.661 0.767 1.00 51.22 O ATOM 170 CB LYS A 13 14.769 1.119 -0.930 1.00 54.21 C ATOM 171 CG LYS A 13 15.850 0.071 -0.732 1.00 50.12 C ATOM 172 CD LYS A 13 16.465 -0.352 -2.056 1.00 22.04 C ATOM 173 CE LYS A 13 17.586 -1.360 -1.852 1.00 43.31 C ATOM 174 NZ LYS A 13 17.107 -2.593 -1.168 1.00 54.45 N ATOM 0 H LYS A 13 12.895 -0.396 -0.390 1.00 54.12 H new ATOM 0 HA LYS A 13 14.501 1.328 1.194 1.00 62.33 H new ATOM 0 HB2 LYS A 13 14.145 0.830 -1.776 1.00 54.21 H new ATOM 0 HB3 LYS A 13 15.238 2.068 -1.189 1.00 54.21 H new ATOM 0 HG2 LYS A 13 16.627 0.467 -0.079 1.00 50.12 H new ATOM 0 HG3 LYS A 13 15.427 -0.800 -0.232 1.00 50.12 H new ATOM 0 HD2 LYS A 13 15.695 -0.786 -2.694 1.00 22.04 H new ATOM 0 HD3 LYS A 13 16.852 0.525 -2.575 1.00 22.04 H new ATOM 0 HE2 LYS A 13 18.016 -1.625 -2.818 1.00 43.31 H new ATOM 0 HE3 LYS A 13 18.382 -0.904 -1.263 1.00 43.31 H new ATOM 0 HZ1 LYS A 13 17.839 -3.330 -1.228 1.00 54.45 H new ATOM 0 HZ2 LYS A 13 16.910 -2.381 -0.169 1.00 54.45 H new ATOM 0 HZ3 LYS A 13 16.238 -2.930 -1.629 1.00 54.45 H new ATOM 188 N VAL A 14 12.040 2.678 -0.514 1.00 52.54 N ATOM 189 CA VAL A 14 11.256 3.896 -0.682 1.00 0.41 C ATOM 190 C VAL A 14 10.774 4.429 0.663 1.00 73.13 C ATOM 191 O VAL A 14 10.685 5.640 0.868 1.00 64.42 O ATOM 192 CB VAL A 14 10.038 3.659 -1.594 1.00 41.15 C ATOM 193 CG1 VAL A 14 9.214 4.931 -1.727 1.00 62.20 C ATOM 194 CG2 VAL A 14 10.485 3.159 -2.960 1.00 3.03 C ATOM 0 H VAL A 14 11.656 1.861 -0.988 1.00 52.54 H new ATOM 0 HA VAL A 14 11.911 4.632 -1.148 1.00 0.41 H new ATOM 0 HB VAL A 14 9.409 2.893 -1.139 1.00 41.15 H new ATOM 0 HG11 VAL A 14 8.358 4.744 -2.375 1.00 62.20 H new ATOM 0 HG12 VAL A 14 8.863 5.242 -0.743 1.00 62.20 H new ATOM 0 HG13 VAL A 14 9.830 5.720 -2.158 1.00 62.20 H new ATOM 0 HG21 VAL A 14 9.612 2.997 -3.592 1.00 3.03 H new ATOM 0 HG22 VAL A 14 11.136 3.900 -3.424 1.00 3.03 H new ATOM 0 HG23 VAL A 14 11.028 2.221 -2.844 1.00 3.03 H new ATOM 204 N VAL A 15 10.463 3.516 1.578 1.00 72.15 N ATOM 205 CA VAL A 15 9.991 3.893 2.904 1.00 13.14 C ATOM 206 C VAL A 15 10.978 4.828 3.594 1.00 62.30 C ATOM 207 O VAL A 15 10.586 5.830 4.192 1.00 44.15 O ATOM 208 CB VAL A 15 9.766 2.655 3.793 1.00 10.30 C ATOM 209 CG1 VAL A 15 9.308 3.071 5.182 1.00 13.35 C ATOM 210 CG2 VAL A 15 8.759 1.714 3.150 1.00 53.10 C ATOM 0 H VAL A 15 10.530 2.510 1.424 1.00 72.15 H new ATOM 0 HA VAL A 15 9.041 4.410 2.766 1.00 13.14 H new ATOM 0 HB VAL A 15 10.713 2.124 3.893 1.00 10.30 H new ATOM 0 HG11 VAL A 15 9.154 2.183 5.795 1.00 13.35 H new ATOM 0 HG12 VAL A 15 10.068 3.703 5.642 1.00 13.35 H new ATOM 0 HG13 VAL A 15 8.373 3.626 5.106 1.00 13.35 H new ATOM 0 HG21 VAL A 15 8.612 0.845 3.791 1.00 53.10 H new ATOM 0 HG22 VAL A 15 7.809 2.232 3.018 1.00 53.10 H new ATOM 0 HG23 VAL A 15 9.133 1.389 2.179 1.00 53.10 H new ATOM 220 N SER A 16 12.261 4.493 3.506 1.00 25.35 N ATOM 221 CA SER A 16 13.306 5.300 4.125 1.00 42.40 C ATOM 222 C SER A 16 13.198 6.758 3.686 1.00 71.50 C ATOM 223 O SER A 16 13.468 7.674 4.463 1.00 13.13 O ATOM 224 CB SER A 16 14.687 4.749 3.765 1.00 61.21 C ATOM 225 OG SER A 16 15.710 5.445 4.455 1.00 2.12 O ATOM 0 H SER A 16 12.602 3.668 3.012 1.00 25.35 H new ATOM 0 HA SER A 16 13.174 5.253 5.206 1.00 42.40 H new ATOM 0 HB2 SER A 16 14.734 3.688 4.012 1.00 61.21 H new ATOM 0 HB3 SER A 16 14.847 4.834 2.690 1.00 61.21 H new ATOM 0 HG SER A 16 16.582 5.073 4.209 1.00 2.12 H new ATOM 231 N LEU A 17 12.801 6.964 2.435 1.00 23.21 N ATOM 232 CA LEU A 17 12.657 8.309 1.890 1.00 15.44 C ATOM 233 C LEU A 17 11.449 9.016 2.499 1.00 44.14 C ATOM 234 O LEU A 17 11.482 10.223 2.741 1.00 35.10 O ATOM 235 CB LEU A 17 12.515 8.252 0.368 1.00 10.23 C ATOM 236 CG LEU A 17 13.780 8.554 -0.435 1.00 43.23 C ATOM 237 CD1 LEU A 17 14.936 7.688 0.043 1.00 54.42 C ATOM 238 CD2 LEU A 17 13.532 8.342 -1.921 1.00 74.15 C ATOM 0 H LEU A 17 12.573 6.217 1.779 1.00 23.21 H new ATOM 0 HA LEU A 17 13.553 8.875 2.144 1.00 15.44 H new ATOM 0 HB2 LEU A 17 12.163 7.258 0.093 1.00 10.23 H new ATOM 0 HB3 LEU A 17 11.741 8.959 0.068 1.00 10.23 H new ATOM 0 HG LEU A 17 14.046 9.599 -0.277 1.00 43.23 H new ATOM 0 HD11 LEU A 17 15.828 7.917 -0.540 1.00 54.42 H new ATOM 0 HD12 LEU A 17 15.130 7.889 1.097 1.00 54.42 H new ATOM 0 HD13 LEU A 17 14.680 6.636 -0.084 1.00 54.42 H new ATOM 0 HD21 LEU A 17 14.443 8.562 -2.477 1.00 74.15 H new ATOM 0 HD22 LEU A 17 13.240 7.307 -2.097 1.00 74.15 H new ATOM 0 HD23 LEU A 17 12.734 9.006 -2.255 1.00 74.15 H new ATOM 250 N ILE A 18 10.387 8.256 2.744 1.00 4.34 N ATOM 251 CA ILE A 18 9.171 8.809 3.328 1.00 45.44 C ATOM 252 C ILE A 18 9.420 9.310 4.746 1.00 25.54 C ATOM 253 O ILE A 18 9.063 10.435 5.090 1.00 0.32 O ATOM 254 CB ILE A 18 8.036 7.769 3.354 1.00 50.32 C ATOM 255 CG1 ILE A 18 7.867 7.132 1.973 1.00 20.42 C ATOM 256 CG2 ILE A 18 6.736 8.416 3.807 1.00 33.13 C ATOM 257 CD1 ILE A 18 6.769 6.092 1.918 1.00 45.10 C ATOM 0 H ILE A 18 10.344 7.256 2.547 1.00 4.34 H new ATOM 0 HA ILE A 18 8.871 9.646 2.698 1.00 45.44 H new ATOM 0 HB ILE A 18 8.297 6.985 4.065 1.00 50.32 H new ATOM 0 HG12 ILE A 18 7.652 7.914 1.245 1.00 20.42 H new ATOM 0 HG13 ILE A 18 8.809 6.670 1.677 1.00 20.42 H new ATOM 0 HG21 ILE A 18 5.943 7.668 3.820 1.00 33.13 H new ATOM 0 HG22 ILE A 18 6.864 8.827 4.808 1.00 33.13 H new ATOM 0 HG23 ILE A 18 6.468 9.217 3.117 1.00 33.13 H new ATOM 0 HD11 ILE A 18 6.706 5.683 0.910 1.00 45.10 H new ATOM 0 HD12 ILE A 18 6.992 5.290 2.622 1.00 45.10 H new ATOM 0 HD13 ILE A 18 5.818 6.553 2.183 1.00 45.10 H new ATOM 269 N ASN A 19 10.038 8.465 5.566 1.00 73.30 N ATOM 270 CA ASN A 19 10.336 8.821 6.948 1.00 3.32 C ATOM 271 C ASN A 19 11.205 10.074 7.011 1.00 12.13 C ATOM 272 O ASN A 19 11.150 10.831 7.980 1.00 41.42 O ATOM 273 CB ASN A 19 11.042 7.662 7.655 1.00 52.01 C ATOM 274 CG ASN A 19 11.137 7.871 9.154 1.00 34.40 C ATOM 275 OD1 ASN A 19 10.127 7.866 9.858 1.00 75.42 O ATOM 276 ND2 ASN A 19 12.355 8.055 9.650 1.00 53.54 N ATOM 0 H ASN A 19 10.342 7.529 5.297 1.00 73.30 H new ATOM 0 HA ASN A 19 9.393 9.027 7.455 1.00 3.32 H new ATOM 0 HB2 ASN A 19 10.504 6.735 7.453 1.00 52.01 H new ATOM 0 HB3 ASN A 19 12.044 7.545 7.243 1.00 52.01 H new ATOM 0 HD21 ASN A 19 12.481 8.200 10.652 1.00 53.54 H new ATOM 0 HD22 ASN A 19 13.164 8.051 9.029 1.00 53.54 H new ATOM 283 N ALA A 20 12.005 10.286 5.972 1.00 61.44 N ATOM 284 CA ALA A 20 12.883 11.447 5.907 1.00 0.43 C ATOM 285 C ALA A 20 12.078 12.740 5.828 1.00 41.11 C ATOM 286 O ALA A 20 12.586 13.819 6.130 1.00 65.03 O ATOM 287 CB ALA A 20 13.822 11.334 4.716 1.00 40.05 C ATOM 0 H ALA A 20 12.063 9.668 5.163 1.00 61.44 H new ATOM 0 HA ALA A 20 13.476 11.474 6.821 1.00 0.43 H new ATOM 0 HB1 ALA A 20 14.472 12.209 4.681 1.00 40.05 H new ATOM 0 HB2 ALA A 20 14.429 10.434 4.816 1.00 40.05 H new ATOM 0 HB3 ALA A 20 13.239 11.278 3.797 1.00 40.05 H new ATOM 293 N GLY A 21 10.818 12.623 5.419 1.00 43.42 N ATOM 294 CA GLY A 21 9.964 13.791 5.306 1.00 33.03 C ATOM 295 C GLY A 21 9.910 14.336 3.893 1.00 74.32 C ATOM 296 O GLY A 21 9.546 15.493 3.679 1.00 74.12 O ATOM 0 H GLY A 21 10.374 11.741 5.164 1.00 43.42 H new ATOM 0 HA2 GLY A 21 8.956 13.533 5.631 1.00 33.03 H new ATOM 0 HA3 GLY A 21 10.327 14.569 5.978 1.00 33.03 H new ATOM 300 N LEU A 22 10.274 13.502 2.925 1.00 72.01 N ATOM 301 CA LEU A 22 10.267 13.907 1.523 1.00 32.14 C ATOM 302 C LEU A 22 8.843 13.966 0.981 1.00 75.44 C ATOM 303 O LEU A 22 8.032 13.073 1.234 1.00 43.34 O ATOM 304 CB LEU A 22 11.104 12.937 0.688 1.00 74.34 C ATOM 305 CG LEU A 22 12.598 13.246 0.597 1.00 25.44 C ATOM 306 CD1 LEU A 22 12.834 14.515 -0.206 1.00 53.02 C ATOM 307 CD2 LEU A 22 13.202 13.373 1.989 1.00 55.53 C ATOM 0 H LEU A 22 10.578 12.541 3.085 1.00 72.01 H new ATOM 0 HA LEU A 22 10.703 14.904 1.455 1.00 32.14 H new ATOM 0 HB2 LEU A 22 10.985 11.936 1.103 1.00 74.34 H new ATOM 0 HB3 LEU A 22 10.696 12.914 -0.323 1.00 74.34 H new ATOM 0 HG LEU A 22 13.089 12.420 0.083 1.00 25.44 H new ATOM 0 HD11 LEU A 22 13.904 14.718 -0.259 1.00 53.02 H new ATOM 0 HD12 LEU A 22 12.438 14.387 -1.213 1.00 53.02 H new ATOM 0 HD13 LEU A 22 12.330 15.351 0.278 1.00 53.02 H new ATOM 0 HD21 LEU A 22 14.266 13.593 1.905 1.00 55.53 H new ATOM 0 HD22 LEU A 22 12.706 14.180 2.529 1.00 55.53 H new ATOM 0 HD23 LEU A 22 13.067 12.437 2.531 1.00 55.53 H new ATOM 319 N THR A 23 8.543 15.022 0.231 1.00 64.13 N ATOM 320 CA THR A 23 7.218 15.197 -0.349 1.00 72.11 C ATOM 321 C THR A 23 7.030 14.304 -1.570 1.00 55.12 C ATOM 322 O THR A 23 8.000 13.895 -2.208 1.00 73.30 O ATOM 323 CB THR A 23 6.971 16.662 -0.756 1.00 4.04 C ATOM 324 OG1 THR A 23 8.157 17.215 -1.337 1.00 42.14 O ATOM 325 CG2 THR A 23 6.555 17.495 0.447 1.00 32.35 C ATOM 0 H THR A 23 9.201 15.770 0.011 1.00 64.13 H new ATOM 0 HA THR A 23 6.498 14.915 0.419 1.00 72.11 H new ATOM 0 HB THR A 23 6.164 16.681 -1.488 1.00 4.04 H new ATOM 0 HG1 THR A 23 7.992 18.146 -1.595 1.00 42.14 H new ATOM 0 HG21 THR A 23 6.386 18.526 0.135 1.00 32.35 H new ATOM 0 HG22 THR A 23 5.636 17.089 0.871 1.00 32.35 H new ATOM 0 HG23 THR A 23 7.344 17.468 1.199 1.00 32.35 H new ATOM 333 N VAL A 24 5.775 14.006 -1.892 1.00 33.44 N ATOM 334 CA VAL A 24 5.459 13.162 -3.038 1.00 41.33 C ATOM 335 C VAL A 24 6.157 13.663 -4.298 1.00 11.43 C ATOM 336 O VAL A 24 6.497 12.882 -5.185 1.00 32.44 O ATOM 337 CB VAL A 24 3.941 13.107 -3.293 1.00 61.33 C ATOM 338 CG1 VAL A 24 3.207 12.631 -2.049 1.00 24.13 C ATOM 339 CG2 VAL A 24 3.426 14.467 -3.739 1.00 10.04 C ATOM 0 H VAL A 24 4.960 14.337 -1.375 1.00 33.44 H new ATOM 0 HA VAL A 24 5.817 12.160 -2.802 1.00 41.33 H new ATOM 0 HB VAL A 24 3.750 12.392 -4.093 1.00 61.33 H new ATOM 0 HG11 VAL A 24 2.136 12.599 -2.249 1.00 24.13 H new ATOM 0 HG12 VAL A 24 3.556 11.634 -1.780 1.00 24.13 H new ATOM 0 HG13 VAL A 24 3.402 13.319 -1.226 1.00 24.13 H new ATOM 0 HG21 VAL A 24 2.352 14.410 -3.915 1.00 10.04 H new ATOM 0 HG22 VAL A 24 3.628 15.205 -2.963 1.00 10.04 H new ATOM 0 HG23 VAL A 24 3.929 14.762 -4.660 1.00 10.04 H new ATOM 349 N GLY A 25 6.368 14.974 -4.369 1.00 3.31 N ATOM 350 CA GLY A 25 7.025 15.558 -5.524 1.00 3.03 C ATOM 351 C GLY A 25 8.414 14.993 -5.748 1.00 11.11 C ATOM 352 O GLY A 25 8.775 14.644 -6.872 1.00 23.35 O ATOM 0 H GLY A 25 6.096 15.642 -3.648 1.00 3.31 H new ATOM 0 HA2 GLY A 25 6.417 15.382 -6.411 1.00 3.03 H new ATOM 0 HA3 GLY A 25 7.092 16.638 -5.393 1.00 3.03 H new ATOM 356 N SER A 26 9.195 14.904 -4.676 1.00 42.42 N ATOM 357 CA SER A 26 10.554 14.383 -4.762 1.00 43.11 C ATOM 358 C SER A 26 10.546 12.900 -5.119 1.00 74.21 C ATOM 359 O SER A 26 11.460 12.404 -5.778 1.00 72.32 O ATOM 360 CB SER A 26 11.289 14.596 -3.437 1.00 45.25 C ATOM 361 OG SER A 26 11.910 15.870 -3.398 1.00 30.43 O ATOM 0 H SER A 26 8.910 15.186 -3.738 1.00 42.42 H new ATOM 0 HA SER A 26 11.075 14.926 -5.550 1.00 43.11 H new ATOM 0 HB2 SER A 26 10.586 14.505 -2.609 1.00 45.25 H new ATOM 0 HB3 SER A 26 12.040 13.817 -3.305 1.00 45.25 H new ATOM 0 HG SER A 26 12.090 16.118 -2.467 1.00 30.43 H new ATOM 367 N ILE A 27 9.507 12.198 -4.679 1.00 32.01 N ATOM 368 CA ILE A 27 9.378 10.772 -4.952 1.00 51.13 C ATOM 369 C ILE A 27 9.322 10.503 -6.452 1.00 74.22 C ATOM 370 O ILE A 27 10.114 9.724 -6.983 1.00 72.22 O ATOM 371 CB ILE A 27 8.119 10.183 -4.289 1.00 11.21 C ATOM 372 CG1 ILE A 27 8.109 10.500 -2.792 1.00 40.10 C ATOM 373 CG2 ILE A 27 8.053 8.681 -4.518 1.00 71.42 C ATOM 374 CD1 ILE A 27 9.245 9.854 -2.030 1.00 50.11 C ATOM 0 H ILE A 27 8.742 12.594 -4.132 1.00 32.01 H new ATOM 0 HA ILE A 27 10.260 10.289 -4.531 1.00 51.13 H new ATOM 0 HB ILE A 27 7.240 10.639 -4.744 1.00 11.21 H new ATOM 0 HG12 ILE A 27 8.160 11.580 -2.657 1.00 40.10 H new ATOM 0 HG13 ILE A 27 7.162 10.170 -2.365 1.00 40.10 H new ATOM 0 HG21 ILE A 27 7.158 8.280 -4.043 1.00 71.42 H new ATOM 0 HG22 ILE A 27 8.019 8.477 -5.588 1.00 71.42 H new ATOM 0 HG23 ILE A 27 8.935 8.208 -4.087 1.00 71.42 H new ATOM 0 HD11 ILE A 27 9.175 10.122 -0.976 1.00 50.11 H new ATOM 0 HD12 ILE A 27 9.183 8.771 -2.134 1.00 50.11 H new ATOM 0 HD13 ILE A 27 10.197 10.203 -2.430 1.00 50.11 H new ATOM 386 N ILE A 28 8.382 11.153 -7.130 1.00 12.44 N ATOM 387 CA ILE A 28 8.224 10.986 -8.569 1.00 44.41 C ATOM 388 C ILE A 28 9.488 11.406 -9.313 1.00 12.34 C ATOM 389 O ILE A 28 9.881 10.776 -10.294 1.00 42.21 O ATOM 390 CB ILE A 28 7.033 11.802 -9.104 1.00 14.35 C ATOM 391 CG1 ILE A 28 5.759 11.451 -8.331 1.00 40.45 C ATOM 392 CG2 ILE A 28 6.843 11.550 -10.592 1.00 32.02 C ATOM 393 CD1 ILE A 28 5.400 9.983 -8.393 1.00 50.35 C ATOM 0 H ILE A 28 7.718 11.800 -6.705 1.00 12.44 H new ATOM 0 HA ILE A 28 8.036 9.927 -8.744 1.00 44.41 H new ATOM 0 HB ILE A 28 7.243 12.862 -8.960 1.00 14.35 H new ATOM 0 HG12 ILE A 28 5.885 11.742 -7.288 1.00 40.45 H new ATOM 0 HG13 ILE A 28 4.930 12.037 -8.728 1.00 40.45 H new ATOM 0 HG21 ILE A 28 5.997 12.134 -10.955 1.00 32.02 H new ATOM 0 HG22 ILE A 28 7.745 11.845 -11.129 1.00 32.02 H new ATOM 0 HG23 ILE A 28 6.651 10.490 -10.760 1.00 32.02 H new ATOM 0 HD11 ILE A 28 4.487 9.807 -7.824 1.00 50.35 H new ATOM 0 HD12 ILE A 28 5.242 9.691 -9.431 1.00 50.35 H new ATOM 0 HD13 ILE A 28 6.212 9.392 -7.969 1.00 50.35 H new ATOM 405 N SER A 29 10.121 12.474 -8.837 1.00 14.11 N ATOM 406 CA SER A 29 11.339 12.980 -9.458 1.00 2.04 C ATOM 407 C SER A 29 12.400 11.887 -9.541 1.00 44.11 C ATOM 408 O SER A 29 13.217 11.869 -10.462 1.00 43.34 O ATOM 409 CB SER A 29 11.881 14.174 -8.669 1.00 20.54 C ATOM 410 OG SER A 29 12.960 14.789 -9.351 1.00 71.41 O ATOM 0 H SER A 29 9.810 13.005 -8.024 1.00 14.11 H new ATOM 0 HA SER A 29 11.095 13.303 -10.470 1.00 2.04 H new ATOM 0 HB2 SER A 29 11.085 14.901 -8.511 1.00 20.54 H new ATOM 0 HB3 SER A 29 12.210 13.844 -7.684 1.00 20.54 H new ATOM 0 HG SER A 29 13.287 15.550 -8.827 1.00 71.41 H new ATOM 416 N ILE A 30 12.381 10.978 -8.573 1.00 24.43 N ATOM 417 CA ILE A 30 13.341 9.881 -8.537 1.00 34.34 C ATOM 418 C ILE A 30 12.971 8.794 -9.540 1.00 74.31 C ATOM 419 O ILE A 30 13.810 8.342 -10.320 1.00 60.41 O ATOM 420 CB ILE A 30 13.430 9.257 -7.131 1.00 42.12 C ATOM 421 CG1 ILE A 30 13.847 10.314 -6.106 1.00 71.12 C ATOM 422 CG2 ILE A 30 14.411 8.094 -7.129 1.00 73.14 C ATOM 423 CD1 ILE A 30 13.476 9.956 -4.684 1.00 65.51 C ATOM 0 H ILE A 30 11.712 10.979 -7.803 1.00 24.43 H new ATOM 0 HA ILE A 30 14.311 10.302 -8.802 1.00 34.34 H new ATOM 0 HB ILE A 30 12.446 8.878 -6.855 1.00 42.12 H new ATOM 0 HG12 ILE A 30 14.925 10.461 -6.166 1.00 71.12 H new ATOM 0 HG13 ILE A 30 13.381 11.264 -6.366 1.00 71.12 H new ATOM 0 HG21 ILE A 30 14.463 7.664 -6.129 1.00 73.14 H new ATOM 0 HG22 ILE A 30 14.075 7.334 -7.834 1.00 73.14 H new ATOM 0 HG23 ILE A 30 15.398 8.450 -7.422 1.00 73.14 H new ATOM 0 HD11 ILE A 30 13.802 10.750 -4.012 1.00 65.51 H new ATOM 0 HD12 ILE A 30 12.395 9.838 -4.609 1.00 65.51 H new ATOM 0 HD13 ILE A 30 13.963 9.022 -4.405 1.00 65.51 H new ATOM 435 N LEU A 31 11.709 8.379 -9.516 1.00 52.24 N ATOM 436 CA LEU A 31 11.226 7.346 -10.426 1.00 33.23 C ATOM 437 C LEU A 31 11.572 7.687 -11.871 1.00 51.54 C ATOM 438 O LEU A 31 11.932 6.813 -12.658 1.00 21.53 O ATOM 439 CB LEU A 31 9.713 7.176 -10.278 1.00 73.42 C ATOM 440 CG LEU A 31 9.250 6.175 -9.219 1.00 30.22 C ATOM 441 CD1 LEU A 31 9.559 4.752 -9.658 1.00 33.22 C ATOM 442 CD2 LEU A 31 9.905 6.475 -7.879 1.00 3.53 C ATOM 0 H LEU A 31 11.002 8.742 -8.877 1.00 52.24 H new ATOM 0 HA LEU A 31 11.718 6.409 -10.166 1.00 33.23 H new ATOM 0 HB2 LEU A 31 9.280 8.148 -10.044 1.00 73.42 H new ATOM 0 HB3 LEU A 31 9.306 6.869 -11.242 1.00 73.42 H new ATOM 0 HG LEU A 31 8.170 6.272 -9.103 1.00 30.22 H new ATOM 0 HD11 LEU A 31 9.222 4.054 -8.892 1.00 33.22 H new ATOM 0 HD12 LEU A 31 9.043 4.540 -10.594 1.00 33.22 H new ATOM 0 HD13 LEU A 31 10.634 4.641 -9.803 1.00 33.22 H new ATOM 0 HD21 LEU A 31 9.564 5.753 -7.137 1.00 3.53 H new ATOM 0 HD22 LEU A 31 10.988 6.407 -7.980 1.00 3.53 H new ATOM 0 HD23 LEU A 31 9.633 7.481 -7.558 1.00 3.53 H new ATOM 454 N GLY A 32 11.462 8.967 -12.214 1.00 51.55 N ATOM 455 CA GLY A 32 11.769 9.403 -13.564 1.00 72.45 C ATOM 456 C GLY A 32 11.005 8.620 -14.614 1.00 21.52 C ATOM 457 O GLY A 32 11.602 7.999 -15.492 1.00 24.30 O ATOM 0 H GLY A 32 11.166 9.710 -11.581 1.00 51.55 H new ATOM 0 HA2 GLY A 32 11.534 10.463 -13.663 1.00 72.45 H new ATOM 0 HA3 GLY A 32 12.839 9.296 -13.743 1.00 72.45 H new ATOM 461 N GLY A 33 9.679 8.647 -14.522 1.00 32.00 N ATOM 462 CA GLY A 33 8.854 7.929 -15.476 1.00 62.20 C ATOM 463 C GLY A 33 7.389 8.305 -15.375 1.00 43.21 C ATOM 464 O GLY A 33 7.040 9.306 -14.749 1.00 74.11 O ATOM 0 H GLY A 33 9.161 9.153 -13.804 1.00 32.00 H new ATOM 0 HA2 GLY A 33 9.210 8.134 -16.486 1.00 62.20 H new ATOM 0 HA3 GLY A 33 8.963 6.857 -15.311 1.00 62.20 H new ATOM 468 N VAL A 34 6.530 7.503 -15.994 1.00 74.44 N ATOM 469 CA VAL A 34 5.094 7.757 -15.972 1.00 61.12 C ATOM 470 C VAL A 34 4.482 7.339 -14.640 1.00 5.02 C ATOM 471 O VAL A 34 3.591 6.491 -14.591 1.00 71.23 O ATOM 472 CB VAL A 34 4.374 7.011 -17.111 1.00 62.04 C ATOM 473 CG1 VAL A 34 2.933 7.482 -17.231 1.00 33.52 C ATOM 474 CG2 VAL A 34 5.117 7.202 -18.425 1.00 54.04 C ATOM 0 H VAL A 34 6.803 6.671 -16.517 1.00 74.44 H new ATOM 0 HA VAL A 34 4.961 8.830 -16.109 1.00 61.12 H new ATOM 0 HB VAL A 34 4.364 5.947 -16.876 1.00 62.04 H new ATOM 0 HG11 VAL A 34 2.441 6.944 -18.041 1.00 33.52 H new ATOM 0 HG12 VAL A 34 2.408 7.289 -16.295 1.00 33.52 H new ATOM 0 HG13 VAL A 34 2.916 8.551 -17.443 1.00 33.52 H new ATOM 0 HG21 VAL A 34 4.595 6.668 -19.219 1.00 54.04 H new ATOM 0 HG22 VAL A 34 5.159 8.264 -18.668 1.00 54.04 H new ATOM 0 HG23 VAL A 34 6.130 6.811 -18.330 1.00 54.04 H new ATOM 484 N THR A 35 4.967 7.941 -13.558 1.00 21.43 N ATOM 485 CA THR A 35 4.469 7.631 -12.223 1.00 61.05 C ATOM 486 C THR A 35 3.255 8.485 -11.878 1.00 11.32 C ATOM 487 O THR A 35 2.771 8.465 -10.746 1.00 51.21 O ATOM 488 CB THR A 35 5.556 7.847 -11.154 1.00 2.41 C ATOM 489 OG1 THR A 35 6.480 8.850 -11.591 1.00 3.35 O ATOM 490 CG2 THR A 35 6.302 6.552 -10.871 1.00 1.35 C ATOM 0 H THR A 35 5.704 8.646 -13.580 1.00 21.43 H new ATOM 0 HA THR A 35 4.180 6.580 -12.229 1.00 61.05 H new ATOM 0 HB THR A 35 5.071 8.176 -10.235 1.00 2.41 H new ATOM 0 HG1 THR A 35 7.364 8.670 -11.208 1.00 3.35 H new ATOM 0 HG21 THR A 35 7.065 6.730 -10.113 1.00 1.35 H new ATOM 0 HG22 THR A 35 5.601 5.799 -10.511 1.00 1.35 H new ATOM 0 HG23 THR A 35 6.776 6.198 -11.786 1.00 1.35 H new ATOM 498 N VAL A 36 2.766 9.236 -12.860 1.00 71.52 N ATOM 499 CA VAL A 36 1.606 10.096 -12.660 1.00 41.21 C ATOM 500 C VAL A 36 0.419 9.303 -12.125 1.00 50.14 C ATOM 501 O VAL A 36 -0.274 8.619 -12.878 1.00 2.33 O ATOM 502 CB VAL A 36 1.194 10.796 -13.969 1.00 2.11 C ATOM 503 CG1 VAL A 36 1.095 9.789 -15.105 1.00 2.42 C ATOM 504 CG2 VAL A 36 -0.122 11.536 -13.785 1.00 51.22 C ATOM 0 H VAL A 36 3.156 9.266 -13.802 1.00 71.52 H new ATOM 0 HA VAL A 36 1.894 10.851 -11.928 1.00 41.21 H new ATOM 0 HB VAL A 36 1.962 11.525 -14.228 1.00 2.11 H new ATOM 0 HG11 VAL A 36 0.803 10.302 -16.021 1.00 2.42 H new ATOM 0 HG12 VAL A 36 2.062 9.309 -15.251 1.00 2.42 H new ATOM 0 HG13 VAL A 36 0.349 9.034 -14.858 1.00 2.42 H new ATOM 0 HG21 VAL A 36 -0.398 12.025 -14.719 1.00 51.22 H new ATOM 0 HG22 VAL A 36 -0.901 10.828 -13.502 1.00 51.22 H new ATOM 0 HG23 VAL A 36 -0.011 12.286 -13.002 1.00 51.22 H new ATOM 514 N GLY A 37 0.189 9.400 -10.819 1.00 64.02 N ATOM 515 CA GLY A 37 -0.915 8.687 -10.205 1.00 72.33 C ATOM 516 C GLY A 37 -0.534 8.056 -8.881 1.00 3.34 C ATOM 517 O GLY A 37 -1.366 7.932 -7.981 1.00 2.11 O ATOM 0 H GLY A 37 0.748 9.960 -10.175 1.00 64.02 H new ATOM 0 HA2 GLY A 37 -1.746 9.375 -10.050 1.00 72.33 H new ATOM 0 HA3 GLY A 37 -1.266 7.911 -10.886 1.00 72.33 H new ATOM 521 N LEU A 38 0.727 7.655 -8.760 1.00 10.34 N ATOM 522 CA LEU A 38 1.217 7.032 -7.535 1.00 44.11 C ATOM 523 C LEU A 38 1.217 8.028 -6.379 1.00 72.35 C ATOM 524 O LEU A 38 0.873 7.682 -5.249 1.00 64.32 O ATOM 525 CB LEU A 38 2.629 6.483 -7.749 1.00 71.41 C ATOM 526 CG LEU A 38 3.521 6.422 -6.508 1.00 74.55 C ATOM 527 CD1 LEU A 38 2.866 5.583 -5.421 1.00 42.05 C ATOM 528 CD2 LEU A 38 4.891 5.863 -6.863 1.00 73.35 C ATOM 0 H LEU A 38 1.428 7.750 -9.495 1.00 10.34 H new ATOM 0 HA LEU A 38 0.548 6.210 -7.282 1.00 44.11 H new ATOM 0 HB2 LEU A 38 2.548 5.478 -8.163 1.00 71.41 H new ATOM 0 HB3 LEU A 38 3.126 7.098 -8.499 1.00 71.41 H new ATOM 0 HG LEU A 38 3.652 7.435 -6.127 1.00 74.55 H new ATOM 0 HD11 LEU A 38 3.515 5.551 -4.546 1.00 42.05 H new ATOM 0 HD12 LEU A 38 1.909 6.026 -5.147 1.00 42.05 H new ATOM 0 HD13 LEU A 38 2.705 4.570 -5.791 1.00 42.05 H new ATOM 0 HD21 LEU A 38 5.512 5.827 -5.968 1.00 73.35 H new ATOM 0 HD22 LEU A 38 4.780 4.857 -7.268 1.00 73.35 H new ATOM 0 HD23 LEU A 38 5.364 6.504 -7.607 1.00 73.35 H new ATOM 540 N SER A 39 1.602 9.266 -6.672 1.00 32.14 N ATOM 541 CA SER A 39 1.647 10.312 -5.657 1.00 22.14 C ATOM 542 C SER A 39 0.272 10.521 -5.030 1.00 31.10 C ATOM 543 O SER A 39 0.158 10.977 -3.893 1.00 61.01 O ATOM 544 CB SER A 39 2.147 11.623 -6.267 1.00 33.21 C ATOM 545 OG SER A 39 1.214 12.138 -7.201 1.00 43.23 O ATOM 0 H SER A 39 1.887 9.569 -7.603 1.00 32.14 H new ATOM 0 HA SER A 39 2.339 9.996 -4.876 1.00 22.14 H new ATOM 0 HB2 SER A 39 2.317 12.354 -5.477 1.00 33.21 H new ATOM 0 HB3 SER A 39 3.105 11.457 -6.759 1.00 33.21 H new ATOM 0 HG SER A 39 1.555 12.977 -7.576 1.00 43.23 H new ATOM 551 N GLY A 40 -0.772 10.183 -5.782 1.00 3.23 N ATOM 552 CA GLY A 40 -2.126 10.341 -5.285 1.00 21.24 C ATOM 553 C GLY A 40 -2.390 9.506 -4.047 1.00 72.24 C ATOM 554 O GLY A 40 -3.073 9.950 -3.124 1.00 60.31 O ATOM 0 H GLY A 40 -0.704 9.803 -6.726 1.00 3.23 H new ATOM 0 HA2 GLY A 40 -2.306 11.391 -5.056 1.00 21.24 H new ATOM 0 HA3 GLY A 40 -2.832 10.060 -6.067 1.00 21.24 H new ATOM 558 N VAL A 41 -1.850 8.292 -4.028 1.00 64.41 N ATOM 559 CA VAL A 41 -2.031 7.392 -2.895 1.00 60.12 C ATOM 560 C VAL A 41 -0.882 7.521 -1.901 1.00 51.04 C ATOM 561 O VAL A 41 -1.036 7.226 -0.716 1.00 53.30 O ATOM 562 CB VAL A 41 -2.136 5.925 -3.354 1.00 43.44 C ATOM 563 CG1 VAL A 41 -3.311 5.745 -4.302 1.00 54.15 C ATOM 564 CG2 VAL A 41 -0.838 5.479 -4.010 1.00 62.04 C ATOM 0 H VAL A 41 -1.283 7.909 -4.785 1.00 64.41 H new ATOM 0 HA VAL A 41 -2.963 7.680 -2.408 1.00 60.12 H new ATOM 0 HB VAL A 41 -2.308 5.299 -2.478 1.00 43.44 H new ATOM 0 HG11 VAL A 41 -3.369 4.703 -4.616 1.00 54.15 H new ATOM 0 HG12 VAL A 41 -4.234 6.023 -3.794 1.00 54.15 H new ATOM 0 HG13 VAL A 41 -3.173 6.380 -5.177 1.00 54.15 H new ATOM 0 HG21 VAL A 41 -0.929 4.441 -4.328 1.00 62.04 H new ATOM 0 HG22 VAL A 41 -0.634 6.108 -4.877 1.00 62.04 H new ATOM 0 HG23 VAL A 41 -0.020 5.569 -3.296 1.00 62.04 H new ATOM 574 N PHE A 42 0.271 7.964 -2.392 1.00 55.13 N ATOM 575 CA PHE A 42 1.447 8.132 -1.547 1.00 41.43 C ATOM 576 C PHE A 42 1.145 9.058 -0.372 1.00 70.33 C ATOM 577 O PHE A 42 1.407 8.721 0.783 1.00 65.52 O ATOM 578 CB PHE A 42 2.613 8.692 -2.365 1.00 52.13 C ATOM 579 CG PHE A 42 3.959 8.230 -1.885 1.00 73.50 C ATOM 580 CD1 PHE A 42 4.448 6.985 -2.246 1.00 74.54 C ATOM 581 CD2 PHE A 42 4.735 9.040 -1.072 1.00 33.42 C ATOM 582 CE1 PHE A 42 5.686 6.556 -1.807 1.00 31.15 C ATOM 583 CE2 PHE A 42 5.974 8.617 -0.629 1.00 72.42 C ATOM 584 CZ PHE A 42 6.449 7.373 -0.996 1.00 64.20 C ATOM 0 H PHE A 42 0.416 8.213 -3.371 1.00 55.13 H new ATOM 0 HA PHE A 42 1.724 7.154 -1.154 1.00 41.43 H new ATOM 0 HB2 PHE A 42 2.488 8.400 -3.408 1.00 52.13 H new ATOM 0 HB3 PHE A 42 2.579 9.781 -2.333 1.00 52.13 H new ATOM 0 HD1 PHE A 42 3.854 6.342 -2.878 1.00 74.54 H new ATOM 0 HD2 PHE A 42 4.368 10.013 -0.781 1.00 33.42 H new ATOM 0 HE1 PHE A 42 6.056 5.584 -2.097 1.00 31.15 H new ATOM 0 HE2 PHE A 42 6.570 9.258 0.003 1.00 72.42 H new ATOM 0 HZ PHE A 42 7.416 7.040 -0.649 1.00 64.20 H new ATOM 594 N THR A 43 0.591 10.228 -0.675 1.00 64.12 N ATOM 595 CA THR A 43 0.255 11.203 0.354 1.00 52.42 C ATOM 596 C THR A 43 -0.629 10.584 1.431 1.00 40.25 C ATOM 597 O THR A 43 -0.447 10.841 2.620 1.00 5.11 O ATOM 598 CB THR A 43 -0.466 12.426 -0.245 1.00 62.02 C ATOM 599 OG1 THR A 43 -0.895 13.303 0.802 1.00 42.51 O ATOM 600 CG2 THR A 43 -1.665 11.994 -1.075 1.00 53.12 C ATOM 0 H THR A 43 0.366 10.523 -1.625 1.00 64.12 H new ATOM 0 HA THR A 43 1.195 11.527 0.801 1.00 52.42 H new ATOM 0 HB THR A 43 0.235 12.951 -0.894 1.00 62.02 H new ATOM 0 HG1 THR A 43 -1.351 14.078 0.413 1.00 42.51 H new ATOM 0 HG21 THR A 43 -2.158 12.874 -1.488 1.00 53.12 H new ATOM 0 HG22 THR A 43 -1.331 11.350 -1.889 1.00 53.12 H new ATOM 0 HG23 THR A 43 -2.366 11.448 -0.444 1.00 53.12 H new ATOM 608 N ALA A 44 -1.587 9.767 1.005 1.00 24.44 N ATOM 609 CA ALA A 44 -2.497 9.108 1.934 1.00 10.32 C ATOM 610 C ALA A 44 -1.756 8.104 2.810 1.00 30.12 C ATOM 611 O ALA A 44 -2.104 7.904 3.974 1.00 53.20 O ATOM 612 CB ALA A 44 -3.621 8.420 1.173 1.00 4.13 C ATOM 0 H ALA A 44 -1.753 9.546 0.023 1.00 24.44 H new ATOM 0 HA ALA A 44 -2.927 9.870 2.585 1.00 10.32 H new ATOM 0 HB1 ALA A 44 -4.293 7.932 1.879 1.00 4.13 H new ATOM 0 HB2 ALA A 44 -4.176 9.160 0.596 1.00 4.13 H new ATOM 0 HB3 ALA A 44 -3.200 7.675 0.498 1.00 4.13 H new ATOM 618 N VAL A 45 -0.732 7.473 2.243 1.00 14.14 N ATOM 619 CA VAL A 45 0.058 6.489 2.973 1.00 2.22 C ATOM 620 C VAL A 45 0.780 7.130 4.153 1.00 43.11 C ATOM 621 O VAL A 45 0.776 6.596 5.262 1.00 2.44 O ATOM 622 CB VAL A 45 1.095 5.811 2.058 1.00 52.44 C ATOM 623 CG1 VAL A 45 1.908 4.789 2.837 1.00 43.22 C ATOM 624 CG2 VAL A 45 0.408 5.162 0.866 1.00 63.15 C ATOM 0 H VAL A 45 -0.431 7.626 1.281 1.00 14.14 H new ATOM 0 HA VAL A 45 -0.638 5.735 3.342 1.00 2.22 H new ATOM 0 HB VAL A 45 1.778 6.573 1.684 1.00 52.44 H new ATOM 0 HG11 VAL A 45 2.635 4.321 2.174 1.00 43.22 H new ATOM 0 HG12 VAL A 45 2.430 5.286 3.655 1.00 43.22 H new ATOM 0 HG13 VAL A 45 1.242 4.027 3.242 1.00 43.22 H new ATOM 0 HG21 VAL A 45 1.155 4.687 0.230 1.00 63.15 H new ATOM 0 HG22 VAL A 45 -0.299 4.411 1.218 1.00 63.15 H new ATOM 0 HG23 VAL A 45 -0.125 5.922 0.295 1.00 63.15 H new ATOM 634 N LYS A 46 1.400 8.279 3.907 1.00 41.35 N ATOM 635 CA LYS A 46 2.126 8.996 4.948 1.00 1.21 C ATOM 636 C LYS A 46 1.251 9.198 6.181 1.00 51.11 C ATOM 637 O LYS A 46 1.712 9.050 7.312 1.00 22.31 O ATOM 638 CB LYS A 46 2.607 10.351 4.423 1.00 15.13 C ATOM 639 CG LYS A 46 3.704 10.976 5.267 1.00 12.14 C ATOM 640 CD LYS A 46 3.805 12.474 5.031 1.00 74.31 C ATOM 641 CE LYS A 46 4.772 13.128 6.005 1.00 31.15 C ATOM 642 NZ LYS A 46 4.210 13.197 7.383 1.00 53.23 N ATOM 0 H LYS A 46 1.414 8.734 2.994 1.00 41.35 H new ATOM 0 HA LYS A 46 2.991 8.396 5.232 1.00 1.21 H new ATOM 0 HB2 LYS A 46 2.971 10.228 3.403 1.00 15.13 H new ATOM 0 HB3 LYS A 46 1.760 11.035 4.379 1.00 15.13 H new ATOM 0 HG2 LYS A 46 3.506 10.786 6.322 1.00 12.14 H new ATOM 0 HG3 LYS A 46 4.658 10.505 5.032 1.00 12.14 H new ATOM 0 HD2 LYS A 46 4.135 12.661 4.009 1.00 74.31 H new ATOM 0 HD3 LYS A 46 2.819 12.927 5.136 1.00 74.31 H new ATOM 0 HE2 LYS A 46 5.706 12.566 6.021 1.00 31.15 H new ATOM 0 HE3 LYS A 46 5.011 14.134 5.659 1.00 31.15 H new ATOM 0 HZ1 LYS A 46 4.828 13.781 7.981 1.00 53.23 H new ATOM 0 HZ2 LYS A 46 3.260 13.620 7.350 1.00 53.23 H new ATOM 0 HZ3 LYS A 46 4.148 12.238 7.781 1.00 53.23 H new ATOM 656 N ALA A 47 -0.014 9.536 5.954 1.00 73.30 N ATOM 657 CA ALA A 47 -0.954 9.754 7.046 1.00 34.03 C ATOM 658 C ALA A 47 -1.173 8.474 7.846 1.00 10.45 C ATOM 659 O ALA A 47 -1.348 8.515 9.064 1.00 60.21 O ATOM 660 CB ALA A 47 -2.279 10.274 6.507 1.00 44.21 C ATOM 0 H ALA A 47 -0.411 9.665 5.023 1.00 73.30 H new ATOM 0 HA ALA A 47 -0.528 10.502 7.715 1.00 34.03 H new ATOM 0 HB1 ALA A 47 -2.971 10.432 7.334 1.00 44.21 H new ATOM 0 HB2 ALA A 47 -2.115 11.217 5.986 1.00 44.21 H new ATOM 0 HB3 ALA A 47 -2.701 9.546 5.815 1.00 44.21 H new ATOM 666 N ALA A 48 -1.162 7.340 7.154 1.00 14.02 N ATOM 667 CA ALA A 48 -1.358 6.049 7.801 1.00 33.50 C ATOM 668 C ALA A 48 -0.267 5.780 8.831 1.00 21.54 C ATOM 669 O ALA A 48 -0.524 5.192 9.883 1.00 71.04 O ATOM 670 CB ALA A 48 -1.391 4.938 6.762 1.00 73.50 C ATOM 0 H ALA A 48 -1.019 7.289 6.145 1.00 14.02 H new ATOM 0 HA ALA A 48 -2.315 6.073 8.322 1.00 33.50 H new ATOM 0 HB1 ALA A 48 -1.538 3.979 7.259 1.00 73.50 H new ATOM 0 HB2 ALA A 48 -2.211 5.115 6.066 1.00 73.50 H new ATOM 0 HB3 ALA A 48 -0.448 4.923 6.216 1.00 73.50 H new ATOM 676 N ILE A 49 0.951 6.212 8.523 1.00 0.01 N ATOM 677 CA ILE A 49 2.081 6.018 9.423 1.00 32.32 C ATOM 678 C ILE A 49 1.800 6.619 10.796 1.00 35.42 C ATOM 679 O ILE A 49 1.872 5.930 11.813 1.00 23.33 O ATOM 680 CB ILE A 49 3.368 6.644 8.855 1.00 52.31 C ATOM 681 CG1 ILE A 49 3.690 6.046 7.484 1.00 23.33 C ATOM 682 CG2 ILE A 49 4.528 6.435 9.817 1.00 40.45 C ATOM 683 CD1 ILE A 49 4.856 6.715 6.792 1.00 44.44 C ATOM 0 H ILE A 49 1.181 6.699 7.657 1.00 0.01 H new ATOM 0 HA ILE A 49 2.224 4.942 9.522 1.00 32.32 H new ATOM 0 HB ILE A 49 3.211 7.716 8.734 1.00 52.31 H new ATOM 0 HG12 ILE A 49 3.908 4.985 7.602 1.00 23.33 H new ATOM 0 HG13 ILE A 49 2.808 6.121 6.848 1.00 23.33 H new ATOM 0 HG21 ILE A 49 5.431 6.883 9.401 1.00 40.45 H new ATOM 0 HG22 ILE A 49 4.297 6.905 10.773 1.00 40.45 H new ATOM 0 HG23 ILE A 49 4.689 5.367 9.967 1.00 40.45 H new ATOM 0 HD11 ILE A 49 5.027 6.240 5.826 1.00 44.44 H new ATOM 0 HD12 ILE A 49 4.633 7.771 6.642 1.00 44.44 H new ATOM 0 HD13 ILE A 49 5.750 6.617 7.408 1.00 44.44 H new ATOM 695 N ALA A 50 1.476 7.908 10.817 1.00 62.51 N ATOM 696 CA ALA A 50 1.180 8.601 12.064 1.00 32.24 C ATOM 697 C ALA A 50 -0.088 8.052 12.710 1.00 71.24 C ATOM 698 O ALA A 50 -0.278 8.161 13.921 1.00 15.41 O ATOM 699 CB ALA A 50 1.044 10.096 11.818 1.00 50.02 C ATOM 0 H ALA A 50 1.412 8.493 9.984 1.00 62.51 H new ATOM 0 HA ALA A 50 2.009 8.431 12.751 1.00 32.24 H new ATOM 0 HB1 ALA A 50 0.823 10.601 12.758 1.00 50.02 H new ATOM 0 HB2 ALA A 50 1.977 10.484 11.409 1.00 50.02 H new ATOM 0 HB3 ALA A 50 0.235 10.276 11.110 1.00 50.02 H new ATOM 705 N LYS A 51 -0.954 7.461 11.893 1.00 40.20 N ATOM 706 CA LYS A 51 -2.204 6.894 12.383 1.00 35.04 C ATOM 707 C LYS A 51 -1.961 5.556 13.074 1.00 72.33 C ATOM 708 O LYS A 51 -2.633 5.220 14.049 1.00 64.22 O ATOM 709 CB LYS A 51 -3.193 6.712 11.229 1.00 12.45 C ATOM 710 CG LYS A 51 -4.577 6.276 11.677 1.00 32.34 C ATOM 711 CD LYS A 51 -5.326 5.565 10.562 1.00 10.42 C ATOM 712 CE LYS A 51 -6.373 4.610 11.114 1.00 1.01 C ATOM 713 NZ LYS A 51 -7.136 3.935 10.028 1.00 42.33 N ATOM 0 H LYS A 51 -0.812 7.363 10.888 1.00 40.20 H new ATOM 0 HA LYS A 51 -2.627 7.587 13.110 1.00 35.04 H new ATOM 0 HB2 LYS A 51 -3.277 7.651 10.682 1.00 12.45 H new ATOM 0 HB3 LYS A 51 -2.795 5.972 10.534 1.00 12.45 H new ATOM 0 HG2 LYS A 51 -4.490 5.613 12.538 1.00 32.34 H new ATOM 0 HG3 LYS A 51 -5.147 7.147 12.001 1.00 32.34 H new ATOM 0 HD2 LYS A 51 -5.807 6.301 9.918 1.00 10.42 H new ATOM 0 HD3 LYS A 51 -4.619 5.013 9.942 1.00 10.42 H new ATOM 0 HE2 LYS A 51 -5.887 3.859 11.737 1.00 1.01 H new ATOM 0 HE3 LYS A 51 -7.063 5.159 11.755 1.00 1.01 H new ATOM 0 HZ1 LYS A 51 -7.839 3.293 10.445 1.00 42.33 H new ATOM 0 HZ2 LYS A 51 -7.621 4.650 9.448 1.00 42.33 H new ATOM 0 HZ3 LYS A 51 -6.482 3.391 9.431 1.00 42.33 H new ATOM 727 N GLN A 52 -0.997 4.798 12.562 1.00 62.31 N ATOM 728 CA GLN A 52 -0.665 3.497 13.131 1.00 75.32 C ATOM 729 C GLN A 52 0.846 3.309 13.217 1.00 14.33 C ATOM 730 O GLN A 52 1.427 3.363 14.300 1.00 10.31 O ATOM 731 CB GLN A 52 -1.283 2.377 12.291 1.00 1.10 C ATOM 732 CG GLN A 52 -2.803 2.365 12.317 1.00 22.52 C ATOM 733 CD GLN A 52 -3.360 1.843 13.627 1.00 24.31 C ATOM 734 OE1 GLN A 52 -4.202 2.484 14.256 1.00 20.32 O ATOM 735 NE2 GLN A 52 -2.891 0.673 14.046 1.00 60.13 N ATOM 0 H GLN A 52 -0.432 5.062 11.755 1.00 62.31 H new ATOM 0 HA GLN A 52 -1.076 3.455 14.140 1.00 75.32 H new ATOM 0 HB2 GLN A 52 -0.946 2.480 11.259 1.00 1.10 H new ATOM 0 HB3 GLN A 52 -0.914 1.417 12.653 1.00 1.10 H new ATOM 0 HG2 GLN A 52 -3.174 3.376 12.146 1.00 22.52 H new ATOM 0 HG3 GLN A 52 -3.172 1.748 11.498 1.00 22.52 H new ATOM 0 HE21 GLN A 52 -2.193 0.176 13.493 1.00 60.13 H new ATOM 0 HE22 GLN A 52 -3.229 0.272 14.921 1.00 60.13 H new ATOM 744 N GLY A 53 1.477 3.088 12.068 1.00 55.12 N ATOM 745 CA GLY A 53 2.915 2.895 12.036 1.00 14.41 C ATOM 746 C GLY A 53 3.432 2.621 10.638 1.00 0.10 C ATOM 747 O GLY A 53 2.698 2.122 9.784 1.00 1.14 O ATOM 0 H GLY A 53 1.018 3.039 11.158 1.00 55.12 H new ATOM 0 HA2 GLY A 53 3.407 3.783 12.434 1.00 14.41 H new ATOM 0 HA3 GLY A 53 3.181 2.063 12.688 1.00 14.41 H new ATOM 751 N ILE A 54 4.698 2.949 10.402 1.00 31.15 N ATOM 752 CA ILE A 54 5.312 2.735 9.098 1.00 52.21 C ATOM 753 C ILE A 54 5.104 1.302 8.621 1.00 65.30 C ATOM 754 O ILE A 54 5.023 1.040 7.421 1.00 44.34 O ATOM 755 CB ILE A 54 6.821 3.041 9.129 1.00 20.30 C ATOM 756 CG1 ILE A 54 7.515 2.183 10.189 1.00 3.32 C ATOM 757 CG2 ILE A 54 7.057 4.519 9.398 1.00 14.42 C ATOM 758 CD1 ILE A 54 9.017 2.363 10.223 1.00 71.31 C ATOM 0 H ILE A 54 5.318 3.364 11.097 1.00 31.15 H new ATOM 0 HA ILE A 54 4.825 3.420 8.404 1.00 52.21 H new ATOM 0 HB ILE A 54 7.246 2.797 8.155 1.00 20.30 H new ATOM 0 HG12 ILE A 54 7.105 2.428 11.169 1.00 3.32 H new ATOM 0 HG13 ILE A 54 7.287 1.134 10.002 1.00 3.32 H new ATOM 0 HG21 ILE A 54 8.128 4.719 9.417 1.00 14.42 H new ATOM 0 HG22 ILE A 54 6.591 5.111 8.610 1.00 14.42 H new ATOM 0 HG23 ILE A 54 6.621 4.788 10.360 1.00 14.42 H new ATOM 0 HD11 ILE A 54 9.442 1.725 10.997 1.00 71.31 H new ATOM 0 HD12 ILE A 54 9.438 2.090 9.256 1.00 71.31 H new ATOM 0 HD13 ILE A 54 9.254 3.404 10.441 1.00 71.31 H new ATOM 770 N LYS A 55 5.017 0.375 9.569 1.00 5.24 N ATOM 771 CA LYS A 55 4.816 -1.033 9.248 1.00 1.33 C ATOM 772 C LYS A 55 3.621 -1.213 8.318 1.00 12.00 C ATOM 773 O LYS A 55 3.702 -1.923 7.316 1.00 64.05 O ATOM 774 CB LYS A 55 4.606 -1.844 10.529 1.00 63.23 C ATOM 775 CG LYS A 55 3.530 -1.277 11.439 1.00 62.44 C ATOM 776 CD LYS A 55 3.510 -1.982 12.785 1.00 45.32 C ATOM 777 CE LYS A 55 2.745 -3.294 12.716 1.00 71.20 C ATOM 778 NZ LYS A 55 3.622 -4.428 12.313 1.00 44.31 N ATOM 0 H LYS A 55 5.083 0.574 10.567 1.00 5.24 H new ATOM 0 HA LYS A 55 5.709 -1.395 8.738 1.00 1.33 H new ATOM 0 HB2 LYS A 55 4.342 -2.867 10.262 1.00 63.23 H new ATOM 0 HB3 LYS A 55 5.547 -1.890 11.078 1.00 63.23 H new ATOM 0 HG2 LYS A 55 3.703 -0.211 11.588 1.00 62.44 H new ATOM 0 HG3 LYS A 55 2.556 -1.378 10.960 1.00 62.44 H new ATOM 0 HD2 LYS A 55 4.532 -2.172 13.112 1.00 45.32 H new ATOM 0 HD3 LYS A 55 3.053 -1.332 13.531 1.00 45.32 H new ATOM 0 HE2 LYS A 55 2.301 -3.507 13.688 1.00 71.20 H new ATOM 0 HE3 LYS A 55 1.925 -3.199 12.005 1.00 71.20 H new ATOM 0 HZ1 LYS A 55 3.207 -4.913 11.491 1.00 44.31 H new ATOM 0 HZ2 LYS A 55 4.564 -4.066 12.062 1.00 44.31 H new ATOM 0 HZ3 LYS A 55 3.708 -5.098 13.103 1.00 44.31 H new ATOM 792 N LYS A 56 2.511 -0.565 8.656 1.00 42.45 N ATOM 793 CA LYS A 56 1.299 -0.650 7.850 1.00 61.54 C ATOM 794 C LYS A 56 1.506 -0.003 6.484 1.00 5.23 C ATOM 795 O LYS A 56 0.873 -0.388 5.502 1.00 43.32 O ATOM 796 CB LYS A 56 0.132 0.024 8.574 1.00 73.12 C ATOM 797 CG LYS A 56 -0.852 -0.957 9.187 1.00 20.53 C ATOM 798 CD LYS A 56 -1.591 -0.344 10.365 1.00 41.24 C ATOM 799 CE LYS A 56 -3.053 -0.762 10.384 1.00 13.20 C ATOM 800 NZ LYS A 56 -3.212 -2.211 10.687 1.00 21.12 N ATOM 0 H LYS A 56 2.426 0.025 9.483 1.00 42.45 H new ATOM 0 HA LYS A 56 1.066 -1.704 7.701 1.00 61.54 H new ATOM 0 HB2 LYS A 56 0.526 0.669 9.360 1.00 73.12 H new ATOM 0 HB3 LYS A 56 -0.398 0.666 7.871 1.00 73.12 H new ATOM 0 HG2 LYS A 56 -1.570 -1.274 8.431 1.00 20.53 H new ATOM 0 HG3 LYS A 56 -0.320 -1.850 9.515 1.00 20.53 H new ATOM 0 HD2 LYS A 56 -1.112 -0.649 11.295 1.00 41.24 H new ATOM 0 HD3 LYS A 56 -1.523 0.743 10.313 1.00 41.24 H new ATOM 0 HE2 LYS A 56 -3.589 -0.174 11.129 1.00 13.20 H new ATOM 0 HE3 LYS A 56 -3.506 -0.541 9.418 1.00 13.20 H new ATOM 0 HZ1 LYS A 56 -4.223 -2.456 10.691 1.00 21.12 H new ATOM 0 HZ2 LYS A 56 -2.722 -2.773 9.962 1.00 21.12 H new ATOM 0 HZ3 LYS A 56 -2.802 -2.417 11.620 1.00 21.12 H new ATOM 814 N ALA A 57 2.398 0.981 6.431 1.00 40.35 N ATOM 815 CA ALA A 57 2.691 1.679 5.185 1.00 41.40 C ATOM 816 C ALA A 57 3.284 0.730 4.150 1.00 72.43 C ATOM 817 O ALA A 57 3.036 0.870 2.952 1.00 71.44 O ATOM 818 CB ALA A 57 3.639 2.842 5.442 1.00 70.43 C ATOM 0 H ALA A 57 2.930 1.313 7.236 1.00 40.35 H new ATOM 0 HA ALA A 57 1.754 2.069 4.787 1.00 41.40 H new ATOM 0 HB1 ALA A 57 3.849 3.354 4.503 1.00 70.43 H new ATOM 0 HB2 ALA A 57 3.178 3.540 6.141 1.00 70.43 H new ATOM 0 HB3 ALA A 57 4.570 2.466 5.866 1.00 70.43 H new ATOM 824 N ILE A 58 4.068 -0.235 4.619 1.00 74.20 N ATOM 825 CA ILE A 58 4.695 -1.208 3.733 1.00 50.20 C ATOM 826 C ILE A 58 3.648 -2.031 2.991 1.00 33.42 C ATOM 827 O ILE A 58 3.597 -2.025 1.762 1.00 74.33 O ATOM 828 CB ILE A 58 5.624 -2.159 4.509 1.00 25.24 C ATOM 829 CG1 ILE A 58 6.682 -1.362 5.276 1.00 54.31 C ATOM 830 CG2 ILE A 58 6.284 -3.147 3.559 1.00 24.32 C ATOM 831 CD1 ILE A 58 7.597 -2.224 6.117 1.00 14.21 C ATOM 0 H ILE A 58 4.284 -0.364 5.607 1.00 74.20 H new ATOM 0 HA ILE A 58 5.287 -0.643 3.013 1.00 50.20 H new ATOM 0 HB ILE A 58 5.026 -2.719 5.228 1.00 25.24 H new ATOM 0 HG12 ILE A 58 7.283 -0.794 4.566 1.00 54.31 H new ATOM 0 HG13 ILE A 58 6.183 -0.639 5.921 1.00 54.31 H new ATOM 0 HG21 ILE A 58 6.938 -3.813 4.123 1.00 24.32 H new ATOM 0 HG22 ILE A 58 5.517 -3.734 3.054 1.00 24.32 H new ATOM 0 HG23 ILE A 58 6.871 -2.603 2.819 1.00 24.32 H new ATOM 0 HD11 ILE A 58 8.321 -1.592 6.632 1.00 14.21 H new ATOM 0 HD12 ILE A 58 7.007 -2.772 6.851 1.00 14.21 H new ATOM 0 HD13 ILE A 58 8.124 -2.930 5.475 1.00 14.21 H new ATOM 843 N GLN A 59 2.814 -2.737 3.748 1.00 75.53 N ATOM 844 CA GLN A 59 1.766 -3.565 3.161 1.00 22.43 C ATOM 845 C GLN A 59 0.877 -2.743 2.234 1.00 0.15 C ATOM 846 O GLN A 59 0.282 -3.273 1.295 1.00 23.43 O ATOM 847 CB GLN A 59 0.920 -4.209 4.261 1.00 13.31 C ATOM 848 CG GLN A 59 0.210 -3.201 5.150 1.00 15.23 C ATOM 849 CD GLN A 59 -0.782 -3.852 6.094 1.00 30.02 C ATOM 850 OE1 GLN A 59 -1.937 -3.435 6.184 1.00 73.44 O ATOM 851 NE2 GLN A 59 -0.335 -4.881 6.805 1.00 12.20 N ATOM 0 H GLN A 59 2.843 -2.752 4.767 1.00 75.53 H new ATOM 0 HA GLN A 59 2.244 -4.349 2.574 1.00 22.43 H new ATOM 0 HB2 GLN A 59 0.178 -4.862 3.802 1.00 13.31 H new ATOM 0 HB3 GLN A 59 1.560 -4.839 4.879 1.00 13.31 H new ATOM 0 HG2 GLN A 59 0.950 -2.650 5.730 1.00 15.23 H new ATOM 0 HG3 GLN A 59 -0.311 -2.475 4.526 1.00 15.23 H new ATOM 0 HE21 GLN A 59 0.630 -5.193 6.699 1.00 12.20 H new ATOM 0 HE22 GLN A 59 -0.957 -5.359 7.457 1.00 12.20 H new ATOM 860 N LEU A 60 0.790 -1.445 2.504 1.00 22.13 N ATOM 861 CA LEU A 60 -0.027 -0.548 1.694 1.00 32.35 C ATOM 862 C LEU A 60 0.530 -0.432 0.279 1.00 23.34 C ATOM 863 O LEU A 60 -0.218 -0.457 -0.697 1.00 51.44 O ATOM 864 CB LEU A 60 -0.096 0.836 2.343 1.00 74.53 C ATOM 865 CG LEU A 60 -1.494 1.335 2.712 1.00 62.25 C ATOM 866 CD1 LEU A 60 -2.087 0.486 3.825 1.00 10.35 C ATOM 867 CD2 LEU A 60 -1.446 2.799 3.122 1.00 3.31 C ATOM 0 H LEU A 60 1.275 -0.990 3.277 1.00 22.13 H new ATOM 0 HA LEU A 60 -1.032 -0.966 1.635 1.00 32.35 H new ATOM 0 HB2 LEU A 60 0.513 0.822 3.247 1.00 74.53 H new ATOM 0 HB3 LEU A 60 0.358 1.557 1.663 1.00 74.53 H new ATOM 0 HG LEU A 60 -2.135 1.245 1.835 1.00 62.25 H new ATOM 0 HD11 LEU A 60 -3.082 0.856 4.074 1.00 10.35 H new ATOM 0 HD12 LEU A 60 -2.158 -0.550 3.494 1.00 10.35 H new ATOM 0 HD13 LEU A 60 -1.448 0.543 4.706 1.00 10.35 H new ATOM 0 HD21 LEU A 60 -2.449 3.137 3.381 1.00 3.31 H new ATOM 0 HD22 LEU A 60 -0.790 2.914 3.985 1.00 3.31 H new ATOM 0 HD23 LEU A 60 -1.064 3.396 2.294 1.00 3.31 H new TER 879 LEU A 60