USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=11 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+ 121:sc= 0.0352 (180deg=-0.617) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.022) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 140:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -110:sc= -2.26! USER MOD Single : A 39 SER OG : rot 180:sc= -1.58! USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= -0.0754 (180deg=-0.442) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.62) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0703 X(o=-0.07,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.164 0.330 0.213 1.00 2.02 N ATOM 2 CA LEU A 1 1.852 0.576 -1.049 1.00 44.52 C ATOM 3 C LEU A 1 1.956 -0.704 -1.872 1.00 1.21 C ATOM 4 O LEU A 1 1.556 -0.741 -3.035 1.00 53.24 O ATOM 5 CB LEU A 1 3.249 1.144 -0.789 1.00 61.51 C ATOM 6 CG LEU A 1 3.303 2.570 -0.242 1.00 40.41 C ATOM 7 CD1 LEU A 1 4.742 2.988 0.020 1.00 72.32 C ATOM 8 CD2 LEU A 1 2.633 3.537 -1.207 1.00 53.24 C ATOM 0 H1 LEU A 1 1.790 0.582 1.004 1.00 2.02 H new ATOM 0 HA LEU A 1 1.270 1.303 -1.615 1.00 44.52 H new ATOM 0 HB2 LEU A 1 3.761 0.487 -0.086 1.00 61.51 H new ATOM 0 HB3 LEU A 1 3.811 1.113 -1.722 1.00 61.51 H new ATOM 0 HG LEU A 1 2.761 2.596 0.703 1.00 40.41 H new ATOM 0 HD11 LEU A 1 4.760 4.006 0.409 1.00 72.32 H new ATOM 0 HD12 LEU A 1 5.190 2.313 0.749 1.00 72.32 H new ATOM 0 HD13 LEU A 1 5.308 2.945 -0.910 1.00 72.32 H new ATOM 0 HD21 LEU A 1 2.681 4.548 -0.801 1.00 53.24 H new ATOM 0 HD22 LEU A 1 3.147 3.507 -2.168 1.00 53.24 H new ATOM 0 HD23 LEU A 1 1.590 3.250 -1.344 1.00 53.24 H new ATOM 20 N VAL A 2 2.494 -1.753 -1.259 1.00 24.23 N ATOM 21 CA VAL A 2 2.648 -3.037 -1.933 1.00 13.12 C ATOM 22 C VAL A 2 1.293 -3.623 -2.313 1.00 33.43 C ATOM 23 O VAL A 2 1.077 -4.024 -3.456 1.00 31.31 O ATOM 24 CB VAL A 2 3.403 -4.048 -1.050 1.00 0.11 C ATOM 25 CG1 VAL A 2 3.536 -5.385 -1.763 1.00 33.13 C ATOM 26 CG2 VAL A 2 4.770 -3.502 -0.665 1.00 13.30 C ATOM 0 H VAL A 2 2.831 -1.739 -0.296 1.00 24.23 H new ATOM 0 HA VAL A 2 3.228 -2.853 -2.837 1.00 13.12 H new ATOM 0 HB VAL A 2 2.829 -4.206 -0.137 1.00 0.11 H new ATOM 0 HG11 VAL A 2 4.072 -6.086 -1.124 1.00 33.13 H new ATOM 0 HG12 VAL A 2 2.544 -5.780 -1.984 1.00 33.13 H new ATOM 0 HG13 VAL A 2 4.087 -5.248 -2.693 1.00 33.13 H new ATOM 0 HG21 VAL A 2 5.290 -4.229 -0.041 1.00 13.30 H new ATOM 0 HG22 VAL A 2 5.354 -3.314 -1.566 1.00 13.30 H new ATOM 0 HG23 VAL A 2 4.647 -2.571 -0.111 1.00 13.30 H new ATOM 36 N ALA A 3 0.382 -3.670 -1.346 1.00 1.33 N ATOM 37 CA ALA A 3 -0.953 -4.205 -1.579 1.00 55.21 C ATOM 38 C ALA A 3 -1.718 -3.352 -2.586 1.00 71.41 C ATOM 39 O ALA A 3 -2.535 -3.863 -3.353 1.00 33.05 O ATOM 40 CB ALA A 3 -1.722 -4.295 -0.269 1.00 54.33 C ATOM 0 H ALA A 3 0.545 -3.344 -0.393 1.00 1.33 H new ATOM 0 HA ALA A 3 -0.848 -5.207 -1.996 1.00 55.21 H new ATOM 0 HB1 ALA A 3 -2.718 -4.696 -0.458 1.00 54.33 H new ATOM 0 HB2 ALA A 3 -1.191 -4.952 0.420 1.00 54.33 H new ATOM 0 HB3 ALA A 3 -1.809 -3.301 0.171 1.00 54.33 H new ATOM 46 N TYR A 4 -1.448 -2.052 -2.579 1.00 12.23 N ATOM 47 CA TYR A 4 -2.114 -1.128 -3.490 1.00 5.03 C ATOM 48 C TYR A 4 -1.569 -1.273 -4.907 1.00 65.52 C ATOM 49 O TYR A 4 -2.328 -1.336 -5.873 1.00 42.32 O ATOM 50 CB TYR A 4 -1.935 0.313 -3.008 1.00 74.13 C ATOM 51 CG TYR A 4 -2.722 1.322 -3.814 1.00 1.10 C ATOM 52 CD1 TYR A 4 -4.063 1.564 -3.543 1.00 61.21 C ATOM 53 CD2 TYR A 4 -2.123 2.035 -4.846 1.00 31.13 C ATOM 54 CE1 TYR A 4 -4.785 2.484 -4.277 1.00 53.33 C ATOM 55 CE2 TYR A 4 -2.837 2.958 -5.584 1.00 54.51 C ATOM 56 CZ TYR A 4 -4.168 3.179 -5.296 1.00 52.35 C ATOM 57 OH TYR A 4 -4.884 4.098 -6.029 1.00 40.22 O ATOM 0 H TYR A 4 -0.773 -1.614 -1.953 1.00 12.23 H new ATOM 0 HA TYR A 4 -3.176 -1.371 -3.502 1.00 5.03 H new ATOM 0 HB2 TYR A 4 -2.239 0.378 -1.963 1.00 74.13 H new ATOM 0 HB3 TYR A 4 -0.877 0.573 -3.049 1.00 74.13 H new ATOM 0 HD1 TYR A 4 -4.549 1.023 -2.744 1.00 61.21 H new ATOM 0 HD2 TYR A 4 -1.081 1.864 -5.074 1.00 31.13 H new ATOM 0 HE1 TYR A 4 -5.827 2.658 -4.054 1.00 53.33 H new ATOM 0 HE2 TYR A 4 -2.356 3.504 -6.382 1.00 54.51 H new ATOM 0 HH TYR A 4 -4.302 4.500 -6.707 1.00 40.22 H new ATOM 67 N GLY A 5 -0.245 -1.328 -5.023 1.00 0.21 N ATOM 68 CA GLY A 5 0.381 -1.466 -6.325 1.00 32.11 C ATOM 69 C GLY A 5 1.771 -0.864 -6.367 1.00 3.02 C ATOM 70 O GLY A 5 2.049 0.017 -7.181 1.00 12.21 O ATOM 0 H GLY A 5 0.405 -1.279 -4.238 1.00 0.21 H new ATOM 0 HA2 GLY A 5 0.438 -2.522 -6.587 1.00 32.11 H new ATOM 0 HA3 GLY A 5 -0.243 -0.984 -7.078 1.00 32.11 H new ATOM 74 N ILE A 6 2.646 -1.338 -5.487 1.00 25.52 N ATOM 75 CA ILE A 6 4.015 -0.840 -5.427 1.00 20.33 C ATOM 76 C ILE A 6 5.010 -1.985 -5.272 1.00 64.20 C ATOM 77 O ILE A 6 4.762 -2.943 -4.540 1.00 54.24 O ATOM 78 CB ILE A 6 4.203 0.150 -4.262 1.00 22.51 C ATOM 79 CG1 ILE A 6 3.246 1.334 -4.411 1.00 32.34 C ATOM 80 CG2 ILE A 6 5.645 0.631 -4.204 1.00 1.21 C ATOM 81 CD1 ILE A 6 3.461 2.129 -5.679 1.00 52.02 C ATOM 0 H ILE A 6 2.432 -2.066 -4.806 1.00 25.52 H new ATOM 0 HA ILE A 6 4.204 -0.322 -6.367 1.00 20.33 H new ATOM 0 HB ILE A 6 3.974 -0.363 -3.328 1.00 22.51 H new ATOM 0 HG12 ILE A 6 2.220 0.966 -4.392 1.00 32.34 H new ATOM 0 HG13 ILE A 6 3.363 1.996 -3.553 1.00 32.34 H new ATOM 0 HG21 ILE A 6 5.762 1.330 -3.376 1.00 1.21 H new ATOM 0 HG22 ILE A 6 6.307 -0.222 -4.056 1.00 1.21 H new ATOM 0 HG23 ILE A 6 5.900 1.130 -5.139 1.00 1.21 H new ATOM 0 HD11 ILE A 6 2.748 2.952 -5.718 1.00 52.02 H new ATOM 0 HD12 ILE A 6 4.476 2.527 -5.691 1.00 52.02 H new ATOM 0 HD13 ILE A 6 3.315 1.482 -6.544 1.00 52.02 H new ATOM 93 N ALA A 7 6.139 -1.878 -5.965 1.00 5.02 N ATOM 94 CA ALA A 7 7.175 -2.902 -5.902 1.00 33.14 C ATOM 95 C ALA A 7 7.545 -3.220 -4.457 1.00 32.12 C ATOM 96 O ALA A 7 7.732 -2.317 -3.642 1.00 62.11 O ATOM 97 CB ALA A 7 8.405 -2.457 -6.678 1.00 63.40 C ATOM 0 H ALA A 7 6.360 -1.092 -6.577 1.00 5.02 H new ATOM 0 HA ALA A 7 6.781 -3.811 -6.357 1.00 33.14 H new ATOM 0 HB1 ALA A 7 9.170 -3.231 -6.622 1.00 63.40 H new ATOM 0 HB2 ALA A 7 8.136 -2.287 -7.721 1.00 63.40 H new ATOM 0 HB3 ALA A 7 8.792 -1.533 -6.248 1.00 63.40 H new ATOM 103 N GLN A 8 7.647 -4.509 -4.147 1.00 5.50 N ATOM 104 CA GLN A 8 7.994 -4.944 -2.799 1.00 71.33 C ATOM 105 C GLN A 8 9.432 -4.568 -2.458 1.00 52.41 C ATOM 106 O GLN A 8 9.686 -3.877 -1.472 1.00 52.13 O ATOM 107 CB GLN A 8 7.805 -6.456 -2.665 1.00 73.31 C ATOM 108 CG GLN A 8 6.396 -6.860 -2.261 1.00 52.31 C ATOM 109 CD GLN A 8 6.183 -8.360 -2.305 1.00 60.03 C ATOM 110 OE1 GLN A 8 7.139 -9.136 -2.267 1.00 53.42 O ATOM 111 NE2 GLN A 8 4.925 -8.778 -2.386 1.00 1.30 N ATOM 0 H GLN A 8 7.495 -5.269 -4.810 1.00 5.50 H new ATOM 0 HA GLN A 8 7.330 -4.437 -2.099 1.00 71.33 H new ATOM 0 HB2 GLN A 8 8.052 -6.930 -3.615 1.00 73.31 H new ATOM 0 HB3 GLN A 8 8.509 -6.838 -1.926 1.00 73.31 H new ATOM 0 HG2 GLN A 8 6.193 -6.498 -1.253 1.00 52.31 H new ATOM 0 HG3 GLN A 8 5.679 -6.376 -2.924 1.00 52.31 H new ATOM 0 HE21 GLN A 8 4.163 -8.100 -2.415 1.00 1.30 H new ATOM 0 HE22 GLN A 8 4.721 -9.777 -2.419 1.00 1.30 H new ATOM 120 N GLY A 9 10.370 -5.027 -3.281 1.00 21.14 N ATOM 121 CA GLY A 9 11.771 -4.728 -3.048 1.00 61.34 C ATOM 122 C GLY A 9 12.054 -3.239 -3.046 1.00 72.12 C ATOM 123 O GLY A 9 12.857 -2.752 -2.249 1.00 72.44 O ATOM 0 H GLY A 9 10.185 -5.600 -4.104 1.00 21.14 H new ATOM 0 HA2 GLY A 9 12.076 -5.154 -2.092 1.00 61.34 H new ATOM 0 HA3 GLY A 9 12.375 -5.208 -3.818 1.00 61.34 H new ATOM 127 N THR A 10 11.394 -2.512 -3.942 1.00 14.40 N ATOM 128 CA THR A 10 11.580 -1.070 -4.042 1.00 51.45 C ATOM 129 C THR A 10 10.887 -0.344 -2.894 1.00 62.45 C ATOM 130 O THR A 10 11.362 0.689 -2.424 1.00 60.11 O ATOM 131 CB THR A 10 11.040 -0.525 -5.379 1.00 23.24 C ATOM 132 OG1 THR A 10 11.733 -1.137 -6.472 1.00 74.44 O ATOM 133 CG2 THR A 10 11.201 0.986 -5.452 1.00 23.31 C ATOM 0 H THR A 10 10.726 -2.898 -4.609 1.00 14.40 H new ATOM 0 HA THR A 10 12.653 -0.886 -3.989 1.00 51.45 H new ATOM 0 HB THR A 10 9.979 -0.765 -5.442 1.00 23.24 H new ATOM 0 HG1 THR A 10 11.383 -0.787 -7.318 1.00 74.44 H new ATOM 0 HG21 THR A 10 10.813 1.348 -6.404 1.00 23.31 H new ATOM 0 HG22 THR A 10 10.649 1.451 -4.635 1.00 23.31 H new ATOM 0 HG23 THR A 10 12.257 1.244 -5.369 1.00 23.31 H new ATOM 141 N ALA A 11 9.762 -0.893 -2.447 1.00 43.22 N ATOM 142 CA ALA A 11 9.006 -0.299 -1.352 1.00 12.01 C ATOM 143 C ALA A 11 9.902 -0.033 -0.147 1.00 14.21 C ATOM 144 O ALA A 11 9.818 1.024 0.478 1.00 34.55 O ATOM 145 CB ALA A 11 7.846 -1.203 -0.960 1.00 41.14 C ATOM 0 H ALA A 11 9.355 -1.748 -2.826 1.00 43.22 H new ATOM 0 HA ALA A 11 8.608 0.656 -1.694 1.00 12.01 H new ATOM 0 HB1 ALA A 11 7.290 -0.747 -0.141 1.00 41.14 H new ATOM 0 HB2 ALA A 11 7.185 -1.339 -1.816 1.00 41.14 H new ATOM 0 HB3 ALA A 11 8.231 -2.172 -0.642 1.00 41.14 H new ATOM 151 N GLU A 12 10.758 -0.998 0.173 1.00 32.20 N ATOM 152 CA GLU A 12 11.668 -0.867 1.305 1.00 72.02 C ATOM 153 C GLU A 12 12.452 0.439 1.224 1.00 43.34 C ATOM 154 O GLU A 12 12.484 1.219 2.176 1.00 34.33 O ATOM 155 CB GLU A 12 12.634 -2.053 1.351 1.00 12.21 C ATOM 156 CG GLU A 12 12.014 -3.321 1.914 1.00 44.12 C ATOM 157 CD GLU A 12 12.714 -4.576 1.430 1.00 72.30 C ATOM 158 OE1 GLU A 12 13.829 -4.461 0.881 1.00 5.43 O ATOM 159 OE2 GLU A 12 12.145 -5.675 1.601 1.00 52.13 O ATOM 0 H GLU A 12 10.841 -1.879 -0.335 1.00 32.20 H new ATOM 0 HA GLU A 12 11.073 -0.857 2.218 1.00 72.02 H new ATOM 0 HB2 GLU A 12 12.999 -2.253 0.343 1.00 12.21 H new ATOM 0 HB3 GLU A 12 13.500 -1.782 1.955 1.00 12.21 H new ATOM 0 HG2 GLU A 12 12.050 -3.286 3.003 1.00 44.12 H new ATOM 0 HG3 GLU A 12 10.962 -3.364 1.631 1.00 44.12 H new ATOM 166 N LYS A 13 13.086 0.672 0.079 1.00 32.11 N ATOM 167 CA LYS A 13 13.870 1.883 -0.129 1.00 44.13 C ATOM 168 C LYS A 13 12.969 3.112 -0.190 1.00 74.24 C ATOM 169 O LYS A 13 13.287 4.157 0.378 1.00 74.51 O ATOM 170 CB LYS A 13 14.686 1.771 -1.419 1.00 41.43 C ATOM 171 CG LYS A 13 15.911 2.669 -1.444 1.00 50.32 C ATOM 172 CD LYS A 13 17.007 2.093 -2.324 1.00 64.40 C ATOM 173 CE LYS A 13 17.938 1.186 -1.533 1.00 74.40 C ATOM 174 NZ LYS A 13 18.707 0.270 -2.421 1.00 1.44 N ATOM 0 H LYS A 13 13.072 0.037 -0.719 1.00 32.11 H new ATOM 0 HA LYS A 13 14.550 1.995 0.716 1.00 44.13 H new ATOM 0 HB2 LYS A 13 15.002 0.736 -1.550 1.00 41.43 H new ATOM 0 HB3 LYS A 13 14.047 2.019 -2.266 1.00 41.43 H new ATOM 0 HG2 LYS A 13 15.631 3.657 -1.810 1.00 50.32 H new ATOM 0 HG3 LYS A 13 16.288 2.799 -0.430 1.00 50.32 H new ATOM 0 HD2 LYS A 13 16.559 1.531 -3.144 1.00 64.40 H new ATOM 0 HD3 LYS A 13 17.581 2.905 -2.771 1.00 64.40 H new ATOM 0 HE2 LYS A 13 18.631 1.795 -0.952 1.00 74.40 H new ATOM 0 HE3 LYS A 13 17.356 0.599 -0.822 1.00 74.40 H new ATOM 0 HZ1 LYS A 13 19.329 -0.331 -1.844 1.00 1.44 H new ATOM 0 HZ2 LYS A 13 18.047 -0.329 -2.957 1.00 1.44 H new ATOM 0 HZ3 LYS A 13 19.282 0.830 -3.083 1.00 1.44 H new ATOM 188 N VAL A 14 11.841 2.979 -0.882 1.00 44.24 N ATOM 189 CA VAL A 14 10.892 4.078 -1.015 1.00 62.13 C ATOM 190 C VAL A 14 10.454 4.594 0.351 1.00 70.22 C ATOM 191 O VAL A 14 10.449 5.800 0.599 1.00 61.42 O ATOM 192 CB VAL A 14 9.647 3.650 -1.814 1.00 53.10 C ATOM 193 CG1 VAL A 14 8.657 4.800 -1.917 1.00 12.44 C ATOM 194 CG2 VAL A 14 10.045 3.154 -3.196 1.00 31.33 C ATOM 0 H VAL A 14 11.563 2.121 -1.359 1.00 44.24 H new ATOM 0 HA VAL A 14 11.404 4.875 -1.554 1.00 62.13 H new ATOM 0 HB VAL A 14 9.162 2.830 -1.284 1.00 53.10 H new ATOM 0 HG11 VAL A 14 7.784 4.479 -2.485 1.00 12.44 H new ATOM 0 HG12 VAL A 14 8.348 5.104 -0.917 1.00 12.44 H new ATOM 0 HG13 VAL A 14 9.129 5.642 -2.423 1.00 12.44 H new ATOM 0 HG21 VAL A 14 9.153 2.856 -3.746 1.00 31.33 H new ATOM 0 HG22 VAL A 14 10.555 3.952 -3.736 1.00 31.33 H new ATOM 0 HG23 VAL A 14 10.713 2.298 -3.097 1.00 31.33 H new ATOM 204 N VAL A 15 10.086 3.672 1.235 1.00 4.13 N ATOM 205 CA VAL A 15 9.648 4.033 2.578 1.00 13.11 C ATOM 206 C VAL A 15 10.701 4.871 3.294 1.00 63.22 C ATOM 207 O VAL A 15 10.375 5.821 4.005 1.00 25.15 O ATOM 208 CB VAL A 15 9.341 2.783 3.423 1.00 33.44 C ATOM 209 CG1 VAL A 15 8.917 3.179 4.829 1.00 15.22 C ATOM 210 CG2 VAL A 15 8.269 1.937 2.753 1.00 73.22 C ATOM 0 H VAL A 15 10.083 2.670 1.045 1.00 4.13 H new ATOM 0 HA VAL A 15 8.736 4.620 2.466 1.00 13.11 H new ATOM 0 HB VAL A 15 10.249 2.185 3.498 1.00 33.44 H new ATOM 0 HG11 VAL A 15 8.704 2.282 5.411 1.00 15.22 H new ATOM 0 HG12 VAL A 15 9.720 3.740 5.307 1.00 15.22 H new ATOM 0 HG13 VAL A 15 8.022 3.799 4.778 1.00 15.22 H new ATOM 0 HG21 VAL A 15 8.065 1.058 3.364 1.00 73.22 H new ATOM 0 HG22 VAL A 15 7.357 2.524 2.645 1.00 73.22 H new ATOM 0 HG23 VAL A 15 8.616 1.622 1.769 1.00 73.22 H new ATOM 220 N SER A 16 11.966 4.512 3.100 1.00 45.42 N ATOM 221 CA SER A 16 13.069 5.229 3.730 1.00 42.25 C ATOM 222 C SER A 16 12.981 6.725 3.440 1.00 33.44 C ATOM 223 O SER A 16 13.256 7.554 4.308 1.00 1.23 O ATOM 224 CB SER A 16 14.410 4.681 3.236 1.00 54.22 C ATOM 225 OG SER A 16 15.429 4.884 4.199 1.00 42.02 O ATOM 0 H SER A 16 12.253 3.729 2.512 1.00 45.42 H new ATOM 0 HA SER A 16 12.998 5.080 4.807 1.00 42.25 H new ATOM 0 HB2 SER A 16 14.315 3.617 3.021 1.00 54.22 H new ATOM 0 HB3 SER A 16 14.685 5.171 2.302 1.00 54.22 H new ATOM 0 HG SER A 16 16.275 4.524 3.861 1.00 42.02 H new ATOM 231 N LEU A 17 12.595 7.062 2.215 1.00 74.32 N ATOM 232 CA LEU A 17 12.469 8.457 1.809 1.00 41.30 C ATOM 233 C LEU A 17 11.267 9.114 2.480 1.00 31.44 C ATOM 234 O LEU A 17 11.276 10.314 2.755 1.00 30.13 O ATOM 235 CB LEU A 17 12.336 8.557 0.288 1.00 35.34 C ATOM 236 CG LEU A 17 13.598 8.965 -0.471 1.00 64.10 C ATOM 237 CD1 LEU A 17 14.759 8.052 -0.107 1.00 73.31 C ATOM 238 CD2 LEU A 17 13.349 8.941 -1.972 1.00 42.30 C ATOM 0 H LEU A 17 12.364 6.388 1.485 1.00 74.32 H new ATOM 0 HA LEU A 17 13.370 8.983 2.124 1.00 41.30 H new ATOM 0 HB2 LEU A 17 12.004 7.591 -0.092 1.00 35.34 H new ATOM 0 HB3 LEU A 17 11.550 9.276 0.059 1.00 35.34 H new ATOM 0 HG LEU A 17 13.859 9.983 -0.182 1.00 64.10 H new ATOM 0 HD11 LEU A 17 15.649 8.358 -0.657 1.00 73.31 H new ATOM 0 HD12 LEU A 17 14.953 8.120 0.963 1.00 73.31 H new ATOM 0 HD13 LEU A 17 14.508 7.023 -0.366 1.00 73.31 H new ATOM 0 HD21 LEU A 17 14.258 9.234 -2.496 1.00 42.30 H new ATOM 0 HD22 LEU A 17 13.063 7.935 -2.277 1.00 42.30 H new ATOM 0 HD23 LEU A 17 12.547 9.637 -2.219 1.00 42.30 H new ATOM 250 N ILE A 18 10.236 8.318 2.743 1.00 15.43 N ATOM 251 CA ILE A 18 9.028 8.822 3.386 1.00 72.33 C ATOM 252 C ILE A 18 9.316 9.290 4.808 1.00 30.31 C ATOM 253 O ILE A 18 8.937 10.393 5.198 1.00 41.31 O ATOM 254 CB ILE A 18 7.922 7.750 3.424 1.00 41.21 C ATOM 255 CG1 ILE A 18 7.717 7.147 2.033 1.00 45.54 C ATOM 256 CG2 ILE A 18 6.623 8.348 3.945 1.00 64.44 C ATOM 257 CD1 ILE A 18 6.650 6.077 1.989 1.00 72.11 C ATOM 0 H ILE A 18 10.213 7.323 2.521 1.00 15.43 H new ATOM 0 HA ILE A 18 8.683 9.668 2.791 1.00 72.33 H new ATOM 0 HB ILE A 18 8.231 6.954 4.102 1.00 41.21 H new ATOM 0 HG12 ILE A 18 7.451 7.942 1.337 1.00 45.54 H new ATOM 0 HG13 ILE A 18 8.660 6.723 1.687 1.00 45.54 H new ATOM 0 HG21 ILE A 18 5.851 7.579 3.966 1.00 64.44 H new ATOM 0 HG22 ILE A 18 6.778 8.734 4.952 1.00 64.44 H new ATOM 0 HG23 ILE A 18 6.308 9.160 3.290 1.00 64.44 H new ATOM 0 HD11 ILE A 18 6.559 5.695 0.972 1.00 72.11 H new ATOM 0 HD12 ILE A 18 6.924 5.262 2.660 1.00 72.11 H new ATOM 0 HD13 ILE A 18 5.696 6.501 2.304 1.00 72.11 H new ATOM 269 N ASN A 19 9.991 8.443 5.579 1.00 73.33 N ATOM 270 CA ASN A 19 10.331 8.770 6.958 1.00 25.04 C ATOM 271 C ASN A 19 11.162 10.048 7.025 1.00 10.11 C ATOM 272 O ASN A 19 11.164 10.747 8.038 1.00 23.31 O ATOM 273 CB ASN A 19 11.100 7.615 7.604 1.00 71.13 C ATOM 274 CG ASN A 19 11.537 7.931 9.021 1.00 14.30 C ATOM 275 OD1 ASN A 19 12.730 8.037 9.306 1.00 74.40 O ATOM 276 ND2 ASN A 19 10.569 8.084 9.918 1.00 41.32 N ATOM 0 H ASN A 19 10.313 7.525 5.272 1.00 73.33 H new ATOM 0 HA ASN A 19 9.403 8.931 7.506 1.00 25.04 H new ATOM 0 HB2 ASN A 19 10.473 6.724 7.611 1.00 71.13 H new ATOM 0 HB3 ASN A 19 11.977 7.383 7.000 1.00 71.13 H new ATOM 0 HD21 ASN A 19 10.802 8.298 10.888 1.00 41.32 H new ATOM 0 HD22 ASN A 19 9.593 7.987 9.637 1.00 41.32 H new ATOM 283 N ALA A 20 11.866 10.347 5.938 1.00 13.31 N ATOM 284 CA ALA A 20 12.698 11.542 5.872 1.00 51.21 C ATOM 285 C ALA A 20 11.849 12.807 5.946 1.00 44.02 C ATOM 286 O ALA A 20 12.349 13.883 6.270 1.00 0.33 O ATOM 287 CB ALA A 20 13.530 11.536 4.598 1.00 73.02 C ATOM 0 H ALA A 20 11.877 9.778 5.091 1.00 13.31 H new ATOM 0 HA ALA A 20 13.369 11.536 6.731 1.00 51.21 H new ATOM 0 HB1 ALA A 20 14.146 12.434 4.562 1.00 73.02 H new ATOM 0 HB2 ALA A 20 14.172 10.655 4.587 1.00 73.02 H new ATOM 0 HB3 ALA A 20 12.869 11.515 3.732 1.00 73.02 H new ATOM 293 N GLY A 21 10.562 12.670 5.641 1.00 23.55 N ATOM 294 CA GLY A 21 9.665 13.810 5.679 1.00 63.32 C ATOM 295 C GLY A 21 9.584 14.527 4.346 1.00 75.11 C ATOM 296 O GLY A 21 9.088 15.652 4.267 1.00 71.20 O ATOM 0 H GLY A 21 10.125 11.790 5.368 1.00 23.55 H new ATOM 0 HA2 GLY A 21 8.669 13.476 5.970 1.00 63.32 H new ATOM 0 HA3 GLY A 21 10.002 14.509 6.444 1.00 63.32 H new ATOM 300 N LEU A 22 10.072 13.877 3.295 1.00 30.04 N ATOM 301 CA LEU A 22 10.054 14.460 1.958 1.00 13.54 C ATOM 302 C LEU A 22 8.648 14.422 1.367 1.00 63.03 C ATOM 303 O LEU A 22 7.797 13.651 1.810 1.00 74.31 O ATOM 304 CB LEU A 22 11.026 13.715 1.042 1.00 13.30 C ATOM 305 CG LEU A 22 12.508 13.831 1.400 1.00 31.30 C ATOM 306 CD1 LEU A 22 13.332 12.846 0.586 1.00 70.35 C ATOM 307 CD2 LEU A 22 13.001 15.253 1.178 1.00 10.11 C ATOM 0 H LEU A 22 10.485 12.946 3.343 1.00 30.04 H new ATOM 0 HA LEU A 22 10.367 15.501 2.038 1.00 13.54 H new ATOM 0 HB2 LEU A 22 10.755 12.659 1.040 1.00 13.30 H new ATOM 0 HB3 LEU A 22 10.889 14.082 0.025 1.00 13.30 H new ATOM 0 HG LEU A 22 12.627 13.588 2.456 1.00 31.30 H new ATOM 0 HD11 LEU A 22 14.384 12.943 0.854 1.00 70.35 H new ATOM 0 HD12 LEU A 22 12.996 11.830 0.795 1.00 70.35 H new ATOM 0 HD13 LEU A 22 13.207 13.058 -0.476 1.00 70.35 H new ATOM 0 HD21 LEU A 22 14.058 15.317 1.438 1.00 10.11 H new ATOM 0 HD22 LEU A 22 12.868 15.525 0.131 1.00 10.11 H new ATOM 0 HD23 LEU A 22 12.431 15.938 1.806 1.00 10.11 H new ATOM 319 N THR A 23 8.412 15.258 0.361 1.00 41.43 N ATOM 320 CA THR A 23 7.111 15.320 -0.293 1.00 30.30 C ATOM 321 C THR A 23 6.987 14.251 -1.373 1.00 44.11 C ATOM 322 O THR A 23 7.989 13.784 -1.916 1.00 32.34 O ATOM 323 CB THR A 23 6.864 16.703 -0.924 1.00 60.35 C ATOM 324 OG1 THR A 23 7.809 16.938 -1.974 1.00 70.34 O ATOM 325 CG2 THR A 23 6.976 17.803 0.121 1.00 73.54 C ATOM 0 H THR A 23 9.106 15.902 -0.019 1.00 41.43 H new ATOM 0 HA THR A 23 6.361 15.142 0.478 1.00 30.30 H new ATOM 0 HB THR A 23 5.854 16.715 -1.334 1.00 60.35 H new ATOM 0 HG1 THR A 23 7.644 17.819 -2.371 1.00 70.34 H new ATOM 0 HG21 THR A 23 6.798 18.770 -0.348 1.00 73.54 H new ATOM 0 HG22 THR A 23 6.236 17.638 0.904 1.00 73.54 H new ATOM 0 HG23 THR A 23 7.975 17.790 0.557 1.00 73.54 H new ATOM 333 N VAL A 24 5.752 13.868 -1.682 1.00 5.31 N ATOM 334 CA VAL A 24 5.498 12.855 -2.699 1.00 51.54 C ATOM 335 C VAL A 24 6.223 13.187 -3.999 1.00 4.24 C ATOM 336 O VAL A 24 6.614 12.294 -4.749 1.00 52.23 O ATOM 337 CB VAL A 24 3.991 12.715 -2.987 1.00 3.01 C ATOM 338 CG1 VAL A 24 3.433 14.011 -3.556 1.00 20.44 C ATOM 339 CG2 VAL A 24 3.736 11.553 -3.935 1.00 44.34 C ATOM 0 H VAL A 24 4.912 14.244 -1.242 1.00 5.31 H new ATOM 0 HA VAL A 24 5.875 11.911 -2.306 1.00 51.54 H new ATOM 0 HB VAL A 24 3.477 12.508 -2.048 1.00 3.01 H new ATOM 0 HG11 VAL A 24 2.367 13.893 -3.753 1.00 20.44 H new ATOM 0 HG12 VAL A 24 3.582 14.817 -2.838 1.00 20.44 H new ATOM 0 HG13 VAL A 24 3.949 14.252 -4.485 1.00 20.44 H new ATOM 0 HG21 VAL A 24 2.666 11.469 -4.128 1.00 44.34 H new ATOM 0 HG22 VAL A 24 4.261 11.728 -4.874 1.00 44.34 H new ATOM 0 HG23 VAL A 24 4.097 10.629 -3.484 1.00 44.34 H new ATOM 349 N GLY A 25 6.401 14.479 -4.258 1.00 2.24 N ATOM 350 CA GLY A 25 7.080 14.907 -5.467 1.00 21.31 C ATOM 351 C GLY A 25 8.474 14.323 -5.587 1.00 11.05 C ATOM 352 O GLY A 25 8.889 13.905 -6.668 1.00 13.44 O ATOM 0 H GLY A 25 6.087 15.237 -3.652 1.00 2.24 H new ATOM 0 HA2 GLY A 25 6.490 14.612 -6.335 1.00 21.31 H new ATOM 0 HA3 GLY A 25 7.143 15.995 -5.479 1.00 21.31 H new ATOM 356 N SER A 26 9.200 14.295 -4.473 1.00 53.13 N ATOM 357 CA SER A 26 10.557 13.763 -4.459 1.00 45.32 C ATOM 358 C SER A 26 10.557 12.264 -4.742 1.00 53.22 C ATOM 359 O SER A 26 11.535 11.718 -5.253 1.00 31.54 O ATOM 360 CB SER A 26 11.222 14.039 -3.109 1.00 35.53 C ATOM 361 OG SER A 26 12.475 13.385 -3.014 1.00 45.24 O ATOM 0 H SER A 26 8.871 14.635 -3.569 1.00 53.13 H new ATOM 0 HA SER A 26 11.124 14.263 -5.244 1.00 45.32 H new ATOM 0 HB2 SER A 26 11.358 15.113 -2.980 1.00 35.53 H new ATOM 0 HB3 SER A 26 10.570 13.701 -2.303 1.00 35.53 H new ATOM 0 HG SER A 26 13.120 13.976 -2.572 1.00 45.24 H new ATOM 367 N ILE A 27 9.452 11.606 -4.407 1.00 63.20 N ATOM 368 CA ILE A 27 9.323 10.171 -4.626 1.00 21.53 C ATOM 369 C ILE A 27 9.435 9.828 -6.107 1.00 61.14 C ATOM 370 O ILE A 27 10.265 9.009 -6.504 1.00 52.34 O ATOM 371 CB ILE A 27 7.982 9.637 -4.087 1.00 3.50 C ATOM 372 CG1 ILE A 27 7.799 10.042 -2.623 1.00 22.23 C ATOM 373 CG2 ILE A 27 7.915 8.125 -4.237 1.00 21.01 C ATOM 374 CD1 ILE A 27 8.823 9.428 -1.694 1.00 32.43 C ATOM 0 H ILE A 27 8.634 12.044 -3.983 1.00 63.20 H new ATOM 0 HA ILE A 27 10.139 9.695 -4.083 1.00 21.53 H new ATOM 0 HB ILE A 27 7.172 10.076 -4.670 1.00 3.50 H new ATOM 0 HG12 ILE A 27 7.854 11.128 -2.545 1.00 22.23 H new ATOM 0 HG13 ILE A 27 6.801 9.749 -2.295 1.00 22.23 H new ATOM 0 HG21 ILE A 27 6.962 7.763 -3.852 1.00 21.01 H new ATOM 0 HG22 ILE A 27 8.005 7.860 -5.290 1.00 21.01 H new ATOM 0 HG23 ILE A 27 8.730 7.667 -3.677 1.00 21.01 H new ATOM 0 HD11 ILE A 27 8.632 9.759 -0.673 1.00 32.43 H new ATOM 0 HD12 ILE A 27 8.753 8.341 -1.743 1.00 32.43 H new ATOM 0 HD13 ILE A 27 9.822 9.741 -1.996 1.00 32.43 H new ATOM 386 N ILE A 28 8.596 10.461 -6.920 1.00 70.23 N ATOM 387 CA ILE A 28 8.603 10.225 -8.359 1.00 11.13 C ATOM 388 C ILE A 28 9.955 10.581 -8.968 1.00 20.14 C ATOM 389 O ILE A 28 10.401 9.950 -9.925 1.00 65.43 O ATOM 390 CB ILE A 28 7.503 11.038 -9.068 1.00 25.23 C ATOM 391 CG1 ILE A 28 6.126 10.659 -8.520 1.00 52.50 C ATOM 392 CG2 ILE A 28 7.563 10.810 -10.571 1.00 13.22 C ATOM 393 CD1 ILE A 28 5.094 11.756 -8.670 1.00 23.34 C ATOM 0 H ILE A 28 7.903 11.141 -6.607 1.00 70.23 H new ATOM 0 HA ILE A 28 8.410 9.162 -8.506 1.00 11.13 H new ATOM 0 HB ILE A 28 7.671 12.097 -8.874 1.00 25.23 H new ATOM 0 HG12 ILE A 28 5.772 9.765 -9.034 1.00 52.50 H new ATOM 0 HG13 ILE A 28 6.222 10.403 -7.465 1.00 52.50 H new ATOM 0 HG21 ILE A 28 6.780 11.391 -11.059 1.00 13.22 H new ATOM 0 HG22 ILE A 28 8.536 11.124 -10.948 1.00 13.22 H new ATOM 0 HG23 ILE A 28 7.416 9.751 -10.785 1.00 13.22 H new ATOM 0 HD11 ILE A 28 4.142 11.418 -8.260 1.00 23.34 H new ATOM 0 HD12 ILE A 28 5.426 12.644 -8.132 1.00 23.34 H new ATOM 0 HD13 ILE A 28 4.970 11.997 -9.726 1.00 23.34 H new ATOM 405 N SER A 29 10.603 11.595 -8.404 1.00 2.21 N ATOM 406 CA SER A 29 11.904 12.037 -8.892 1.00 63.22 C ATOM 407 C SER A 29 12.929 10.909 -8.805 1.00 55.41 C ATOM 408 O SER A 29 13.666 10.651 -9.757 1.00 13.20 O ATOM 409 CB SER A 29 12.390 13.246 -8.090 1.00 62.32 C ATOM 410 OG SER A 29 13.281 14.040 -8.854 1.00 53.13 O ATOM 0 H SER A 29 10.248 12.126 -7.609 1.00 2.21 H new ATOM 0 HA SER A 29 11.793 12.325 -9.938 1.00 63.22 H new ATOM 0 HB2 SER A 29 11.536 13.848 -7.780 1.00 62.32 H new ATOM 0 HB3 SER A 29 12.888 12.907 -7.181 1.00 62.32 H new ATOM 0 HG SER A 29 13.576 14.807 -8.320 1.00 53.13 H new ATOM 416 N ILE A 30 12.968 10.242 -7.657 1.00 31.02 N ATOM 417 CA ILE A 30 13.900 9.142 -7.445 1.00 23.20 C ATOM 418 C ILE A 30 13.427 7.876 -8.153 1.00 4.54 C ATOM 419 O ILE A 30 14.235 7.036 -8.551 1.00 31.11 O ATOM 420 CB ILE A 30 14.084 8.840 -5.946 1.00 13.11 C ATOM 421 CG1 ILE A 30 14.562 10.091 -5.206 1.00 50.34 C ATOM 422 CG2 ILE A 30 15.067 7.696 -5.752 1.00 62.55 C ATOM 423 CD1 ILE A 30 15.864 10.648 -5.739 1.00 74.24 C ATOM 0 H ILE A 30 12.365 10.444 -6.859 1.00 31.02 H new ATOM 0 HA ILE A 30 14.857 9.454 -7.864 1.00 23.20 H new ATOM 0 HB ILE A 30 13.122 8.540 -5.531 1.00 13.11 H new ATOM 0 HG12 ILE A 30 13.792 10.860 -5.274 1.00 50.34 H new ATOM 0 HG13 ILE A 30 14.683 9.854 -4.149 1.00 50.34 H new ATOM 0 HG21 ILE A 30 15.186 7.495 -4.687 1.00 62.55 H new ATOM 0 HG22 ILE A 30 14.689 6.803 -6.250 1.00 62.55 H new ATOM 0 HG23 ILE A 30 16.032 7.969 -6.180 1.00 62.55 H new ATOM 0 HD11 ILE A 30 16.142 11.534 -5.167 1.00 74.24 H new ATOM 0 HD12 ILE A 30 16.647 9.895 -5.646 1.00 74.24 H new ATOM 0 HD13 ILE A 30 15.742 10.917 -6.788 1.00 74.24 H new ATOM 435 N LEU A 31 12.114 7.748 -8.308 1.00 23.35 N ATOM 436 CA LEU A 31 11.532 6.585 -8.970 1.00 4.25 C ATOM 437 C LEU A 31 11.912 6.553 -10.446 1.00 63.24 C ATOM 438 O LEU A 31 12.237 5.499 -10.991 1.00 63.24 O ATOM 439 CB LEU A 31 10.010 6.599 -8.823 1.00 11.20 C ATOM 440 CG LEU A 31 9.344 5.240 -8.604 1.00 1.34 C ATOM 441 CD1 LEU A 31 9.721 4.275 -9.717 1.00 0.30 C ATOM 442 CD2 LEU A 31 9.731 4.670 -7.247 1.00 60.40 C ATOM 0 H LEU A 31 11.432 8.434 -7.985 1.00 23.35 H new ATOM 0 HA LEU A 31 11.928 5.689 -8.492 1.00 4.25 H new ATOM 0 HB2 LEU A 31 9.752 7.247 -7.985 1.00 11.20 H new ATOM 0 HB3 LEU A 31 9.583 7.050 -9.718 1.00 11.20 H new ATOM 0 HG LEU A 31 8.263 5.379 -8.623 1.00 1.34 H new ATOM 0 HD11 LEU A 31 9.238 3.313 -9.544 1.00 0.30 H new ATOM 0 HD12 LEU A 31 9.393 4.679 -10.675 1.00 0.30 H new ATOM 0 HD13 LEU A 31 10.803 4.140 -9.731 1.00 0.30 H new ATOM 0 HD21 LEU A 31 9.248 3.703 -7.108 1.00 60.40 H new ATOM 0 HD22 LEU A 31 10.813 4.546 -7.200 1.00 60.40 H new ATOM 0 HD23 LEU A 31 9.409 5.353 -6.460 1.00 60.40 H new ATOM 454 N GLY A 32 11.871 7.716 -11.089 1.00 13.32 N ATOM 455 CA GLY A 32 12.215 7.799 -12.496 1.00 51.41 C ATOM 456 C GLY A 32 11.156 7.185 -13.389 1.00 73.53 C ATOM 457 O GLY A 32 11.438 6.265 -14.156 1.00 32.41 O ATOM 0 H GLY A 32 11.605 8.603 -10.660 1.00 13.32 H new ATOM 0 HA2 GLY A 32 12.356 8.844 -12.771 1.00 51.41 H new ATOM 0 HA3 GLY A 32 13.166 7.293 -12.665 1.00 51.41 H new ATOM 461 N GLY A 33 9.931 7.693 -13.289 1.00 42.03 N ATOM 462 CA GLY A 33 8.844 7.174 -14.099 1.00 2.31 C ATOM 463 C GLY A 33 7.539 7.905 -13.854 1.00 40.21 C ATOM 464 O GLY A 33 7.467 8.797 -13.008 1.00 65.13 O ATOM 0 H GLY A 33 9.672 8.454 -12.662 1.00 42.03 H new ATOM 0 HA2 GLY A 33 9.110 7.255 -15.153 1.00 2.31 H new ATOM 0 HA3 GLY A 33 8.709 6.114 -13.884 1.00 2.31 H new ATOM 468 N VAL A 34 6.503 7.529 -14.597 1.00 62.43 N ATOM 469 CA VAL A 34 5.194 8.155 -14.457 1.00 70.13 C ATOM 470 C VAL A 34 4.466 7.637 -13.222 1.00 5.34 C ATOM 471 O VAL A 34 3.379 7.067 -13.320 1.00 41.41 O ATOM 472 CB VAL A 34 4.317 7.905 -15.698 1.00 73.04 C ATOM 473 CG1 VAL A 34 4.855 8.672 -16.897 1.00 25.35 C ATOM 474 CG2 VAL A 34 4.234 6.416 -16.001 1.00 10.42 C ATOM 0 H VAL A 34 6.545 6.793 -15.302 1.00 62.43 H new ATOM 0 HA VAL A 34 5.365 9.226 -14.352 1.00 70.13 H new ATOM 0 HB VAL A 34 3.310 8.267 -15.488 1.00 73.04 H new ATOM 0 HG11 VAL A 34 4.222 8.483 -17.764 1.00 25.35 H new ATOM 0 HG12 VAL A 34 4.857 9.739 -16.675 1.00 25.35 H new ATOM 0 HG13 VAL A 34 5.872 8.344 -17.112 1.00 25.35 H new ATOM 0 HG21 VAL A 34 3.610 6.258 -16.881 1.00 10.42 H new ATOM 0 HG22 VAL A 34 5.234 6.027 -16.191 1.00 10.42 H new ATOM 0 HG23 VAL A 34 3.798 5.895 -15.149 1.00 10.42 H new ATOM 484 N THR A 35 5.073 7.840 -12.056 1.00 63.41 N ATOM 485 CA THR A 35 4.484 7.393 -10.800 1.00 42.01 C ATOM 486 C THR A 35 3.539 8.445 -10.232 1.00 34.14 C ATOM 487 O THR A 35 3.048 8.312 -9.110 1.00 42.42 O ATOM 488 CB THR A 35 5.568 7.074 -9.753 1.00 42.32 C ATOM 489 OG1 THR A 35 6.713 7.908 -9.964 1.00 62.00 O ATOM 490 CG2 THR A 35 5.979 5.611 -9.828 1.00 1.52 C ATOM 0 H THR A 35 5.972 8.311 -11.956 1.00 63.41 H new ATOM 0 HA THR A 35 3.923 6.484 -11.019 1.00 42.01 H new ATOM 0 HB THR A 35 5.155 7.268 -8.763 1.00 42.32 H new ATOM 0 HG1 THR A 35 7.457 7.364 -10.297 1.00 62.00 H new ATOM 0 HG21 THR A 35 6.745 5.410 -9.079 1.00 1.52 H new ATOM 0 HG22 THR A 35 5.111 4.979 -9.638 1.00 1.52 H new ATOM 0 HG23 THR A 35 6.375 5.395 -10.820 1.00 1.52 H new ATOM 498 N VAL A 36 3.285 9.490 -11.013 1.00 4.44 N ATOM 499 CA VAL A 36 2.396 10.565 -10.587 1.00 63.24 C ATOM 500 C VAL A 36 1.014 10.027 -10.236 1.00 13.22 C ATOM 501 O VAL A 36 0.269 10.648 -9.479 1.00 55.31 O ATOM 502 CB VAL A 36 2.254 11.641 -11.680 1.00 0.11 C ATOM 503 CG1 VAL A 36 1.663 11.042 -12.947 1.00 33.44 C ATOM 504 CG2 VAL A 36 1.402 12.798 -11.180 1.00 21.03 C ATOM 0 H VAL A 36 3.682 9.615 -11.944 1.00 4.44 H new ATOM 0 HA VAL A 36 2.844 11.015 -9.701 1.00 63.24 H new ATOM 0 HB VAL A 36 3.246 12.025 -11.918 1.00 0.11 H new ATOM 0 HG11 VAL A 36 1.570 11.818 -13.707 1.00 33.44 H new ATOM 0 HG12 VAL A 36 2.316 10.250 -13.314 1.00 33.44 H new ATOM 0 HG13 VAL A 36 0.678 10.628 -12.729 1.00 33.44 H new ATOM 0 HG21 VAL A 36 1.312 13.549 -11.965 1.00 21.03 H new ATOM 0 HG22 VAL A 36 0.411 12.431 -10.913 1.00 21.03 H new ATOM 0 HG23 VAL A 36 1.872 13.244 -10.303 1.00 21.03 H new ATOM 514 N GLY A 37 0.677 8.867 -10.791 1.00 20.32 N ATOM 515 CA GLY A 37 -0.616 8.264 -10.524 1.00 1.13 C ATOM 516 C GLY A 37 -0.702 7.670 -9.132 1.00 13.33 C ATOM 517 O GLY A 37 -1.664 7.916 -8.403 1.00 33.45 O ATOM 0 H GLY A 37 1.276 8.334 -11.421 1.00 20.32 H new ATOM 0 HA2 GLY A 37 -1.396 9.016 -10.644 1.00 1.13 H new ATOM 0 HA3 GLY A 37 -0.809 7.484 -11.261 1.00 1.13 H new ATOM 521 N LEU A 38 0.304 6.886 -8.762 1.00 33.34 N ATOM 522 CA LEU A 38 0.337 6.253 -7.448 1.00 20.04 C ATOM 523 C LEU A 38 0.477 7.297 -6.344 1.00 73.30 C ATOM 524 O LEU A 38 0.066 7.070 -5.206 1.00 10.10 O ATOM 525 CB LEU A 38 1.493 5.254 -7.370 1.00 0.22 C ATOM 526 CG LEU A 38 1.237 3.882 -7.993 1.00 63.35 C ATOM 527 CD1 LEU A 38 0.048 3.206 -7.328 1.00 42.22 C ATOM 528 CD2 LEU A 38 1.010 4.011 -9.493 1.00 14.15 C ATOM 0 H LEU A 38 1.108 6.673 -9.353 1.00 33.34 H new ATOM 0 HA LEU A 38 -0.604 5.722 -7.304 1.00 20.04 H new ATOM 0 HB2 LEU A 38 2.362 5.696 -7.857 1.00 0.22 H new ATOM 0 HB3 LEU A 38 1.754 5.112 -6.321 1.00 0.22 H new ATOM 0 HG LEU A 38 2.118 3.261 -7.831 1.00 63.35 H new ATOM 0 HD11 LEU A 38 -0.118 2.231 -7.785 1.00 42.22 H new ATOM 0 HD12 LEU A 38 0.250 3.079 -6.264 1.00 42.22 H new ATOM 0 HD13 LEU A 38 -0.841 3.824 -7.457 1.00 42.22 H new ATOM 0 HD21 LEU A 38 0.829 3.024 -9.920 1.00 14.15 H new ATOM 0 HD22 LEU A 38 0.146 4.650 -9.677 1.00 14.15 H new ATOM 0 HD23 LEU A 38 1.892 4.451 -9.958 1.00 14.15 H new ATOM 540 N SER A 39 1.057 8.442 -6.689 1.00 60.54 N ATOM 541 CA SER A 39 1.252 9.520 -5.728 1.00 2.23 C ATOM 542 C SER A 39 -0.072 9.919 -5.082 1.00 64.51 C ATOM 543 O SER A 39 -0.101 10.422 -3.960 1.00 32.20 O ATOM 544 CB SER A 39 1.885 10.734 -6.412 1.00 35.31 C ATOM 545 OG SER A 39 1.471 11.940 -5.795 1.00 14.33 O ATOM 0 H SER A 39 1.400 8.647 -7.628 1.00 60.54 H new ATOM 0 HA SER A 39 1.923 9.160 -4.948 1.00 2.23 H new ATOM 0 HB2 SER A 39 2.971 10.654 -6.369 1.00 35.31 H new ATOM 0 HB3 SER A 39 1.608 10.747 -7.466 1.00 35.31 H new ATOM 0 HG SER A 39 1.890 12.701 -6.249 1.00 14.33 H new ATOM 551 N GLY A 40 -1.166 9.689 -5.801 1.00 73.11 N ATOM 552 CA GLY A 40 -2.479 10.029 -5.284 1.00 4.55 C ATOM 553 C GLY A 40 -2.767 9.365 -3.952 1.00 73.42 C ATOM 554 O GLY A 40 -3.499 9.908 -3.124 1.00 63.23 O ATOM 0 H GLY A 40 -1.167 9.273 -6.732 1.00 73.11 H new ATOM 0 HA2 GLY A 40 -2.553 11.111 -5.171 1.00 4.55 H new ATOM 0 HA3 GLY A 40 -3.239 9.732 -6.007 1.00 4.55 H new ATOM 558 N VAL A 41 -2.193 8.184 -3.745 1.00 63.23 N ATOM 559 CA VAL A 41 -2.393 7.443 -2.505 1.00 44.34 C ATOM 560 C VAL A 41 -1.160 7.524 -1.612 1.00 42.21 C ATOM 561 O VAL A 41 -1.251 7.369 -0.394 1.00 51.11 O ATOM 562 CB VAL A 41 -2.716 5.963 -2.782 1.00 15.03 C ATOM 563 CG1 VAL A 41 -4.065 5.831 -3.473 1.00 42.44 C ATOM 564 CG2 VAL A 41 -1.616 5.324 -3.615 1.00 21.21 C ATOM 0 H VAL A 41 -1.586 7.720 -4.420 1.00 63.23 H new ATOM 0 HA VAL A 41 -3.239 7.903 -1.994 1.00 44.34 H new ATOM 0 HB VAL A 41 -2.770 5.437 -1.829 1.00 15.03 H new ATOM 0 HG11 VAL A 41 -4.276 4.778 -3.661 1.00 42.44 H new ATOM 0 HG12 VAL A 41 -4.843 6.249 -2.835 1.00 42.44 H new ATOM 0 HG13 VAL A 41 -4.043 6.371 -4.420 1.00 42.44 H new ATOM 0 HG21 VAL A 41 -1.861 4.278 -3.801 1.00 21.21 H new ATOM 0 HG22 VAL A 41 -1.527 5.850 -4.565 1.00 21.21 H new ATOM 0 HG23 VAL A 41 -0.670 5.385 -3.077 1.00 21.21 H new ATOM 574 N PHE A 42 -0.007 7.769 -2.225 1.00 65.34 N ATOM 575 CA PHE A 42 1.246 7.870 -1.486 1.00 2.11 C ATOM 576 C PHE A 42 1.118 8.859 -0.331 1.00 55.21 C ATOM 577 O PHE A 42 1.396 8.526 0.821 1.00 2.44 O ATOM 578 CB PHE A 42 2.380 8.302 -2.418 1.00 51.03 C ATOM 579 CG PHE A 42 3.747 7.973 -1.891 1.00 45.34 C ATOM 580 CD1 PHE A 42 4.322 8.741 -0.891 1.00 34.45 C ATOM 581 CD2 PHE A 42 4.459 6.897 -2.396 1.00 73.14 C ATOM 582 CE1 PHE A 42 5.580 8.441 -0.405 1.00 22.44 C ATOM 583 CE2 PHE A 42 5.718 6.592 -1.914 1.00 74.21 C ATOM 584 CZ PHE A 42 6.279 7.364 -0.916 1.00 55.21 C ATOM 0 H PHE A 42 0.086 7.901 -3.232 1.00 65.34 H new ATOM 0 HA PHE A 42 1.477 6.887 -1.076 1.00 2.11 H new ATOM 0 HB2 PHE A 42 2.247 7.820 -3.387 1.00 51.03 H new ATOM 0 HB3 PHE A 42 2.313 9.377 -2.585 1.00 51.03 H new ATOM 0 HD1 PHE A 42 3.781 9.584 -0.487 1.00 34.45 H new ATOM 0 HD2 PHE A 42 4.025 6.289 -3.176 1.00 73.14 H new ATOM 0 HE1 PHE A 42 6.017 9.048 0.374 1.00 22.44 H new ATOM 0 HE2 PHE A 42 6.262 5.751 -2.317 1.00 74.21 H new ATOM 0 HZ PHE A 42 7.262 7.127 -0.536 1.00 55.21 H new ATOM 594 N THR A 43 0.694 10.079 -0.649 1.00 33.44 N ATOM 595 CA THR A 43 0.529 11.117 0.360 1.00 4.43 C ATOM 596 C THR A 43 -0.366 10.642 1.498 1.00 34.14 C ATOM 597 O THR A 43 -0.094 10.909 2.668 1.00 13.53 O ATOM 598 CB THR A 43 -0.069 12.401 -0.247 1.00 23.43 C ATOM 599 OG1 THR A 43 -0.335 13.354 0.788 1.00 74.10 O ATOM 600 CG2 THR A 43 -1.352 12.094 -1.004 1.00 31.13 C ATOM 0 H THR A 43 0.459 10.371 -1.597 1.00 33.44 H new ATOM 0 HA THR A 43 1.522 11.337 0.751 1.00 4.43 H new ATOM 0 HB THR A 43 0.655 12.818 -0.946 1.00 23.43 H new ATOM 0 HG1 THR A 43 -0.713 14.168 0.394 1.00 74.10 H new ATOM 0 HG21 THR A 43 -1.756 13.015 -1.424 1.00 31.13 H new ATOM 0 HG22 THR A 43 -1.140 11.391 -1.809 1.00 31.13 H new ATOM 0 HG23 THR A 43 -2.081 11.656 -0.322 1.00 31.13 H new ATOM 608 N ALA A 44 -1.436 9.935 1.148 1.00 65.43 N ATOM 609 CA ALA A 44 -2.370 9.419 2.141 1.00 41.33 C ATOM 610 C ALA A 44 -1.711 8.358 3.016 1.00 53.15 C ATOM 611 O ALA A 44 -2.002 8.254 4.207 1.00 20.43 O ATOM 612 CB ALA A 44 -3.605 8.851 1.458 1.00 13.00 C ATOM 0 H ALA A 44 -1.677 9.707 0.184 1.00 65.43 H new ATOM 0 HA ALA A 44 -2.672 10.246 2.784 1.00 41.33 H new ATOM 0 HB1 ALA A 44 -4.294 8.469 2.211 1.00 13.00 H new ATOM 0 HB2 ALA A 44 -4.096 9.636 0.882 1.00 13.00 H new ATOM 0 HB3 ALA A 44 -3.311 8.041 0.791 1.00 13.00 H new ATOM 618 N VAL A 45 -0.823 7.572 2.416 1.00 21.52 N ATOM 619 CA VAL A 45 -0.123 6.518 3.141 1.00 4.12 C ATOM 620 C VAL A 45 0.761 7.100 4.239 1.00 51.22 C ATOM 621 O VAL A 45 0.870 6.537 5.328 1.00 32.31 O ATOM 622 CB VAL A 45 0.746 5.668 2.195 1.00 30.33 C ATOM 623 CG1 VAL A 45 1.428 4.545 2.961 1.00 30.55 C ATOM 624 CG2 VAL A 45 -0.095 5.113 1.055 1.00 22.34 C ATOM 0 H VAL A 45 -0.571 7.645 1.430 1.00 21.52 H new ATOM 0 HA VAL A 45 -0.886 5.883 3.591 1.00 4.12 H new ATOM 0 HB VAL A 45 1.520 6.306 1.768 1.00 30.33 H new ATOM 0 HG11 VAL A 45 2.037 3.955 2.276 1.00 30.55 H new ATOM 0 HG12 VAL A 45 2.063 4.969 3.739 1.00 30.55 H new ATOM 0 HG13 VAL A 45 0.673 3.905 3.418 1.00 30.55 H new ATOM 0 HG21 VAL A 45 0.535 4.515 0.396 1.00 22.34 H new ATOM 0 HG22 VAL A 45 -0.891 4.489 1.461 1.00 22.34 H new ATOM 0 HG23 VAL A 45 -0.532 5.937 0.490 1.00 22.34 H new ATOM 634 N LYS A 46 1.391 8.233 3.945 1.00 32.33 N ATOM 635 CA LYS A 46 2.264 8.894 4.907 1.00 4.40 C ATOM 636 C LYS A 46 1.553 9.093 6.241 1.00 12.35 C ATOM 637 O LYS A 46 2.090 8.762 7.298 1.00 63.44 O ATOM 638 CB LYS A 46 2.730 10.245 4.359 1.00 41.21 C ATOM 639 CG LYS A 46 3.707 10.967 5.271 1.00 51.44 C ATOM 640 CD LYS A 46 4.148 12.295 4.676 1.00 35.43 C ATOM 641 CE LYS A 46 4.840 13.167 5.712 1.00 22.31 C ATOM 642 NZ LYS A 46 3.912 13.578 6.801 1.00 32.45 N ATOM 0 H LYS A 46 1.313 8.712 3.048 1.00 32.33 H new ATOM 0 HA LYS A 46 3.132 8.255 5.070 1.00 4.40 H new ATOM 0 HB2 LYS A 46 3.199 10.091 3.387 1.00 41.21 H new ATOM 0 HB3 LYS A 46 1.860 10.881 4.196 1.00 41.21 H new ATOM 0 HG2 LYS A 46 3.241 11.139 6.241 1.00 51.44 H new ATOM 0 HG3 LYS A 46 4.579 10.337 5.443 1.00 51.44 H new ATOM 0 HD2 LYS A 46 4.825 12.114 3.841 1.00 35.43 H new ATOM 0 HD3 LYS A 46 3.281 12.821 4.276 1.00 35.43 H new ATOM 0 HE2 LYS A 46 5.683 12.624 6.139 1.00 22.31 H new ATOM 0 HE3 LYS A 46 5.246 14.055 5.227 1.00 22.31 H new ATOM 0 HZ1 LYS A 46 4.286 14.425 7.275 1.00 32.45 H new ATOM 0 HZ2 LYS A 46 2.977 13.791 6.398 1.00 32.45 H new ATOM 0 HZ3 LYS A 46 3.824 12.806 7.492 1.00 32.45 H new ATOM 656 N ALA A 47 0.341 9.635 6.185 1.00 14.35 N ATOM 657 CA ALA A 47 -0.445 9.875 7.389 1.00 35.34 C ATOM 658 C ALA A 47 -0.786 8.565 8.092 1.00 23.03 C ATOM 659 O ALA A 47 -0.920 8.523 9.315 1.00 74.52 O ATOM 660 CB ALA A 47 -1.717 10.638 7.047 1.00 65.33 C ATOM 0 H ALA A 47 -0.118 9.916 5.319 1.00 14.35 H new ATOM 0 HA ALA A 47 0.156 10.478 8.070 1.00 35.34 H new ATOM 0 HB1 ALA A 47 -2.294 10.810 7.956 1.00 65.33 H new ATOM 0 HB2 ALA A 47 -1.457 11.596 6.596 1.00 65.33 H new ATOM 0 HB3 ALA A 47 -2.313 10.056 6.344 1.00 65.33 H new ATOM 666 N ALA A 48 -0.924 7.498 7.312 1.00 40.33 N ATOM 667 CA ALA A 48 -1.247 6.187 7.860 1.00 12.10 C ATOM 668 C ALA A 48 -0.196 5.740 8.870 1.00 11.24 C ATOM 669 O ALA A 48 -0.498 5.000 9.807 1.00 5.23 O ATOM 670 CB ALA A 48 -1.375 5.164 6.741 1.00 31.01 C ATOM 0 H ALA A 48 -0.817 7.516 6.298 1.00 40.33 H new ATOM 0 HA ALA A 48 -2.203 6.263 8.379 1.00 12.10 H new ATOM 0 HB1 ALA A 48 -1.616 4.189 7.165 1.00 31.01 H new ATOM 0 HB2 ALA A 48 -2.168 5.469 6.058 1.00 31.01 H new ATOM 0 HB3 ALA A 48 -0.433 5.100 6.197 1.00 31.01 H new ATOM 676 N ILE A 49 1.037 6.193 8.674 1.00 43.44 N ATOM 677 CA ILE A 49 2.132 5.840 9.568 1.00 23.03 C ATOM 678 C ILE A 49 1.810 6.221 11.009 1.00 33.02 C ATOM 679 O ILE A 49 1.864 5.385 11.910 1.00 23.42 O ATOM 680 CB ILE A 49 3.446 6.527 9.149 1.00 33.34 C ATOM 681 CG1 ILE A 49 3.816 6.137 7.717 1.00 60.11 C ATOM 682 CG2 ILE A 49 4.566 6.159 10.111 1.00 71.53 C ATOM 683 CD1 ILE A 49 5.082 6.798 7.219 1.00 40.22 C ATOM 0 H ILE A 49 1.303 6.806 7.903 1.00 43.44 H new ATOM 0 HA ILE A 49 2.259 4.760 9.500 1.00 23.03 H new ATOM 0 HB ILE A 49 3.303 7.607 9.186 1.00 33.34 H new ATOM 0 HG12 ILE A 49 3.935 5.055 7.663 1.00 60.11 H new ATOM 0 HG13 ILE A 49 2.993 6.400 7.053 1.00 60.11 H new ATOM 0 HG21 ILE A 49 5.488 6.652 9.802 1.00 71.53 H new ATOM 0 HG22 ILE A 49 4.302 6.482 11.118 1.00 71.53 H new ATOM 0 HG23 ILE A 49 4.712 5.079 10.103 1.00 71.53 H new ATOM 0 HD11 ILE A 49 5.283 6.476 6.197 1.00 40.22 H new ATOM 0 HD12 ILE A 49 4.960 7.881 7.240 1.00 40.22 H new ATOM 0 HD13 ILE A 49 5.917 6.514 7.860 1.00 40.22 H new ATOM 695 N ALA A 50 1.472 7.489 11.219 1.00 53.14 N ATOM 696 CA ALA A 50 1.136 7.980 12.549 1.00 1.52 C ATOM 697 C ALA A 50 -0.140 7.328 13.070 1.00 60.12 C ATOM 698 O ALA A 50 -0.361 7.248 14.278 1.00 23.04 O ATOM 699 CB ALA A 50 0.987 9.495 12.531 1.00 63.43 C ATOM 0 H ALA A 50 1.424 8.195 10.484 1.00 53.14 H new ATOM 0 HA ALA A 50 1.950 7.713 13.223 1.00 1.52 H new ATOM 0 HB1 ALA A 50 0.736 9.848 13.531 1.00 63.43 H new ATOM 0 HB2 ALA A 50 1.925 9.949 12.211 1.00 63.43 H new ATOM 0 HB3 ALA A 50 0.193 9.774 11.838 1.00 63.43 H new ATOM 705 N LYS A 51 -0.979 6.863 12.150 1.00 24.31 N ATOM 706 CA LYS A 51 -2.233 6.216 12.515 1.00 15.23 C ATOM 707 C LYS A 51 -1.990 4.790 12.997 1.00 33.44 C ATOM 708 O LYS A 51 -2.629 4.328 13.943 1.00 65.22 O ATOM 709 CB LYS A 51 -3.192 6.206 11.322 1.00 0.34 C ATOM 710 CG LYS A 51 -4.032 7.466 11.207 1.00 54.21 C ATOM 711 CD LYS A 51 -4.573 7.649 9.799 1.00 44.15 C ATOM 712 CE LYS A 51 -5.750 8.612 9.774 1.00 61.22 C ATOM 713 NZ LYS A 51 -6.592 8.428 8.559 1.00 23.53 N ATOM 0 H LYS A 51 -0.812 6.923 11.145 1.00 24.31 H new ATOM 0 HA LYS A 51 -2.682 6.784 13.330 1.00 15.23 H new ATOM 0 HB2 LYS A 51 -2.617 6.078 10.405 1.00 0.34 H new ATOM 0 HB3 LYS A 51 -3.854 5.344 11.406 1.00 0.34 H new ATOM 0 HG2 LYS A 51 -4.861 7.417 11.913 1.00 54.21 H new ATOM 0 HG3 LYS A 51 -3.430 8.332 11.482 1.00 54.21 H new ATOM 0 HD2 LYS A 51 -3.781 8.024 9.150 1.00 44.15 H new ATOM 0 HD3 LYS A 51 -4.883 6.684 9.399 1.00 44.15 H new ATOM 0 HE2 LYS A 51 -6.360 8.463 10.665 1.00 61.22 H new ATOM 0 HE3 LYS A 51 -5.381 9.637 9.808 1.00 61.22 H new ATOM 0 HZ1 LYS A 51 -7.383 9.103 8.580 1.00 23.53 H new ATOM 0 HZ2 LYS A 51 -6.016 8.595 7.709 1.00 23.53 H new ATOM 0 HZ3 LYS A 51 -6.965 7.457 8.539 1.00 23.53 H new ATOM 727 N GLN A 52 -1.063 4.098 12.342 1.00 13.22 N ATOM 728 CA GLN A 52 -0.736 2.725 12.706 1.00 73.54 C ATOM 729 C GLN A 52 0.770 2.546 12.859 1.00 5.03 C ATOM 730 O GLN A 52 1.272 2.336 13.963 1.00 15.41 O ATOM 731 CB GLN A 52 -1.272 1.754 11.651 1.00 1.42 C ATOM 732 CG GLN A 52 -2.714 1.335 11.887 1.00 50.34 C ATOM 733 CD GLN A 52 -2.883 0.506 13.144 1.00 1.14 C ATOM 734 OE1 GLN A 52 -3.111 1.042 14.229 1.00 3.23 O ATOM 735 NE2 GLN A 52 -2.772 -0.810 13.006 1.00 40.24 N ATOM 0 H GLN A 52 -0.526 4.466 11.557 1.00 13.22 H new ATOM 0 HA GLN A 52 -1.208 2.508 13.664 1.00 73.54 H new ATOM 0 HB2 GLN A 52 -1.194 2.219 10.668 1.00 1.42 H new ATOM 0 HB3 GLN A 52 -0.642 0.865 11.634 1.00 1.42 H new ATOM 0 HG2 GLN A 52 -3.340 2.225 11.956 1.00 50.34 H new ATOM 0 HG3 GLN A 52 -3.067 0.763 11.029 1.00 50.34 H new ATOM 0 HE21 GLN A 52 -2.582 -1.212 12.088 1.00 40.24 H new ATOM 0 HE22 GLN A 52 -2.876 -1.419 13.818 1.00 40.24 H new ATOM 744 N GLY A 53 1.488 2.630 11.743 1.00 5.32 N ATOM 745 CA GLY A 53 2.931 2.475 11.776 1.00 40.22 C ATOM 746 C GLY A 53 3.528 2.315 10.392 1.00 43.52 C ATOM 747 O GLY A 53 2.842 1.901 9.457 1.00 45.33 O ATOM 0 H GLY A 53 1.096 2.803 10.817 1.00 5.32 H new ATOM 0 HA2 GLY A 53 3.376 3.343 12.262 1.00 40.22 H new ATOM 0 HA3 GLY A 53 3.186 1.605 12.381 1.00 40.22 H new ATOM 751 N ILE A 54 4.808 2.646 10.260 1.00 65.01 N ATOM 752 CA ILE A 54 5.497 2.537 8.980 1.00 50.42 C ATOM 753 C ILE A 54 5.358 1.135 8.398 1.00 71.30 C ATOM 754 O ILE A 54 5.180 0.965 7.192 1.00 51.55 O ATOM 755 CB ILE A 54 6.993 2.879 9.114 1.00 13.22 C ATOM 756 CG1 ILE A 54 7.167 4.267 9.734 1.00 23.04 C ATOM 757 CG2 ILE A 54 7.676 2.810 7.757 1.00 51.14 C ATOM 758 CD1 ILE A 54 8.614 4.674 9.906 1.00 11.50 C ATOM 0 H ILE A 54 5.389 2.992 11.024 1.00 65.01 H new ATOM 0 HA ILE A 54 5.027 3.255 8.308 1.00 50.42 H new ATOM 0 HB ILE A 54 7.461 2.146 9.772 1.00 13.22 H new ATOM 0 HG12 ILE A 54 6.663 5.002 9.107 1.00 23.04 H new ATOM 0 HG13 ILE A 54 6.674 4.286 10.706 1.00 23.04 H new ATOM 0 HG21 ILE A 54 8.732 3.054 7.869 1.00 51.14 H new ATOM 0 HG22 ILE A 54 7.577 1.803 7.351 1.00 51.14 H new ATOM 0 HG23 ILE A 54 7.209 3.523 7.078 1.00 51.14 H new ATOM 0 HD11 ILE A 54 8.662 5.668 10.351 1.00 11.50 H new ATOM 0 HD12 ILE A 54 9.118 3.960 10.558 1.00 11.50 H new ATOM 0 HD13 ILE A 54 9.106 4.687 8.934 1.00 11.50 H new ATOM 770 N LYS A 55 5.438 0.130 9.264 1.00 4.31 N ATOM 771 CA LYS A 55 5.319 -1.259 8.839 1.00 75.15 C ATOM 772 C LYS A 55 4.033 -1.477 8.047 1.00 12.32 C ATOM 773 O LYS A 55 4.040 -2.116 6.995 1.00 53.33 O ATOM 774 CB LYS A 55 5.346 -2.190 10.053 1.00 64.13 C ATOM 775 CG LYS A 55 4.333 -1.824 11.123 1.00 2.14 C ATOM 776 CD LYS A 55 4.615 -2.549 12.429 1.00 54.12 C ATOM 777 CE LYS A 55 5.643 -1.806 13.268 1.00 30.43 C ATOM 778 NZ LYS A 55 5.036 -0.665 14.008 1.00 72.32 N ATOM 0 H LYS A 55 5.585 0.253 10.266 1.00 4.31 H new ATOM 0 HA LYS A 55 6.167 -1.489 8.194 1.00 75.15 H new ATOM 0 HB2 LYS A 55 5.159 -3.211 9.721 1.00 64.13 H new ATOM 0 HB3 LYS A 55 6.345 -2.175 10.490 1.00 64.13 H new ATOM 0 HG2 LYS A 55 4.353 -0.747 11.292 1.00 2.14 H new ATOM 0 HG3 LYS A 55 3.330 -2.073 10.776 1.00 2.14 H new ATOM 0 HD2 LYS A 55 3.689 -2.654 12.995 1.00 54.12 H new ATOM 0 HD3 LYS A 55 4.976 -3.556 12.217 1.00 54.12 H new ATOM 0 HE2 LYS A 55 6.100 -2.496 13.977 1.00 30.43 H new ATOM 0 HE3 LYS A 55 6.440 -1.437 12.623 1.00 30.43 H new ATOM 0 HZ1 LYS A 55 5.769 -0.185 14.568 1.00 72.32 H new ATOM 0 HZ2 LYS A 55 4.622 0.007 13.331 1.00 72.32 H new ATOM 0 HZ3 LYS A 55 4.293 -1.019 14.643 1.00 72.32 H new ATOM 792 N LYS A 56 2.930 -0.940 8.559 1.00 23.43 N ATOM 793 CA LYS A 56 1.637 -1.073 7.900 1.00 53.03 C ATOM 794 C LYS A 56 1.628 -0.334 6.566 1.00 50.35 C ATOM 795 O LYS A 56 0.976 -0.761 5.613 1.00 44.21 O ATOM 796 CB LYS A 56 0.524 -0.534 8.801 1.00 11.51 C ATOM 797 CG LYS A 56 -0.791 -1.280 8.658 1.00 61.55 C ATOM 798 CD LYS A 56 -1.737 -0.567 7.706 1.00 4.11 C ATOM 799 CE LYS A 56 -2.523 0.524 8.416 1.00 14.01 C ATOM 800 NZ LYS A 56 -3.255 1.395 7.455 1.00 34.12 N ATOM 0 H LYS A 56 2.907 -0.408 9.429 1.00 23.43 H new ATOM 0 HA LYS A 56 1.461 -2.132 7.710 1.00 53.03 H new ATOM 0 HB2 LYS A 56 0.851 -0.588 9.839 1.00 11.51 H new ATOM 0 HB3 LYS A 56 0.361 0.519 8.572 1.00 11.51 H new ATOM 0 HG2 LYS A 56 -0.600 -2.289 8.294 1.00 61.55 H new ATOM 0 HG3 LYS A 56 -1.263 -1.378 9.636 1.00 61.55 H new ATOM 0 HD2 LYS A 56 -1.168 -0.131 6.884 1.00 4.11 H new ATOM 0 HD3 LYS A 56 -2.427 -1.288 7.269 1.00 4.11 H new ATOM 0 HE2 LYS A 56 -3.233 0.069 9.107 1.00 14.01 H new ATOM 0 HE3 LYS A 56 -1.843 1.132 9.012 1.00 14.01 H new ATOM 0 HZ1 LYS A 56 -3.778 2.126 7.978 1.00 34.12 H new ATOM 0 HZ2 LYS A 56 -2.576 1.849 6.811 1.00 34.12 H new ATOM 0 HZ3 LYS A 56 -3.923 0.819 6.904 1.00 34.12 H new ATOM 814 N ALA A 57 2.356 0.776 6.504 1.00 4.24 N ATOM 815 CA ALA A 57 2.435 1.572 5.286 1.00 51.31 C ATOM 816 C ALA A 57 3.042 0.767 4.142 1.00 74.20 C ATOM 817 O ALA A 57 2.573 0.836 3.005 1.00 4.12 O ATOM 818 CB ALA A 57 3.246 2.836 5.532 1.00 32.13 C ATOM 0 H ALA A 57 2.900 1.144 7.284 1.00 4.24 H new ATOM 0 HA ALA A 57 1.422 1.854 5.000 1.00 51.31 H new ATOM 0 HB1 ALA A 57 3.296 3.421 4.613 1.00 32.13 H new ATOM 0 HB2 ALA A 57 2.769 3.428 6.313 1.00 32.13 H new ATOM 0 HB3 ALA A 57 4.254 2.566 5.846 1.00 32.13 H new ATOM 824 N ILE A 58 4.085 0.004 4.450 1.00 43.41 N ATOM 825 CA ILE A 58 4.755 -0.814 3.447 1.00 61.21 C ATOM 826 C ILE A 58 3.775 -1.769 2.773 1.00 5.01 C ATOM 827 O ILE A 58 3.624 -1.757 1.552 1.00 72.41 O ATOM 828 CB ILE A 58 5.907 -1.629 4.063 1.00 22.35 C ATOM 829 CG1 ILE A 58 6.926 -0.696 4.721 1.00 21.41 C ATOM 830 CG2 ILE A 58 6.576 -2.488 3.001 1.00 61.32 C ATOM 831 CD1 ILE A 58 7.838 -1.395 5.705 1.00 63.21 C ATOM 0 H ILE A 58 4.484 -0.065 5.386 1.00 43.41 H new ATOM 0 HA ILE A 58 5.163 -0.130 2.703 1.00 61.21 H new ATOM 0 HB ILE A 58 5.497 -2.287 4.829 1.00 22.35 H new ATOM 0 HG12 ILE A 58 7.532 -0.228 3.945 1.00 21.41 H new ATOM 0 HG13 ILE A 58 6.394 0.104 5.236 1.00 21.41 H new ATOM 0 HG21 ILE A 58 7.388 -3.058 3.452 1.00 61.32 H new ATOM 0 HG22 ILE A 58 5.845 -3.174 2.574 1.00 61.32 H new ATOM 0 HG23 ILE A 58 6.975 -1.848 2.214 1.00 61.32 H new ATOM 0 HD11 ILE A 58 8.534 -0.673 6.132 1.00 63.21 H new ATOM 0 HD12 ILE A 58 7.241 -1.839 6.502 1.00 63.21 H new ATOM 0 HD13 ILE A 58 8.397 -2.177 5.191 1.00 63.21 H new ATOM 843 N GLN A 59 3.112 -2.593 3.578 1.00 42.10 N ATOM 844 CA GLN A 59 2.146 -3.554 3.059 1.00 51.51 C ATOM 845 C GLN A 59 1.055 -2.850 2.259 1.00 53.22 C ATOM 846 O GLN A 59 0.487 -3.421 1.327 1.00 31.30 O ATOM 847 CB GLN A 59 1.521 -4.350 4.205 1.00 32.24 C ATOM 848 CG GLN A 59 2.300 -5.603 4.571 1.00 73.40 C ATOM 849 CD GLN A 59 2.173 -6.695 3.527 1.00 55.03 C ATOM 850 OE1 GLN A 59 1.079 -6.977 3.037 1.00 75.11 O ATOM 851 NE2 GLN A 59 3.294 -7.316 3.180 1.00 53.05 N ATOM 0 H GLN A 59 3.226 -2.614 4.591 1.00 42.10 H new ATOM 0 HA GLN A 59 2.673 -4.239 2.395 1.00 51.51 H new ATOM 0 HB2 GLN A 59 1.447 -3.709 5.083 1.00 32.24 H new ATOM 0 HB3 GLN A 59 0.505 -4.632 3.929 1.00 32.24 H new ATOM 0 HG2 GLN A 59 3.352 -5.348 4.698 1.00 73.40 H new ATOM 0 HG3 GLN A 59 1.945 -5.980 5.530 1.00 73.40 H new ATOM 0 HE21 GLN A 59 4.179 -7.050 3.612 1.00 53.05 H new ATOM 0 HE22 GLN A 59 3.270 -8.059 2.482 1.00 53.05 H new ATOM 860 N LEU A 60 0.766 -1.607 2.628 1.00 34.02 N ATOM 861 CA LEU A 60 -0.259 -0.824 1.945 1.00 64.41 C ATOM 862 C LEU A 60 0.154 -0.524 0.508 1.00 62.14 C ATOM 863 O LEU A 60 -0.664 -0.584 -0.410 1.00 35.24 O ATOM 864 CB LEU A 60 -0.516 0.482 2.697 1.00 13.32 C ATOM 865 CG LEU A 60 -1.946 0.701 3.193 1.00 73.33 C ATOM 866 CD1 LEU A 60 -2.358 -0.413 4.144 1.00 44.53 C ATOM 867 CD2 LEU A 60 -2.075 2.058 3.870 1.00 62.54 C ATOM 0 H LEU A 60 1.227 -1.119 3.396 1.00 34.02 H new ATOM 0 HA LEU A 60 -1.177 -1.411 1.925 1.00 64.41 H new ATOM 0 HB2 LEU A 60 0.155 0.522 3.555 1.00 13.32 H new ATOM 0 HB3 LEU A 60 -0.248 1.313 2.044 1.00 13.32 H new ATOM 0 HG LEU A 60 -2.615 0.682 2.333 1.00 73.33 H new ATOM 0 HD11 LEU A 60 -3.378 -0.240 4.487 1.00 44.53 H new ATOM 0 HD12 LEU A 60 -2.306 -1.371 3.626 1.00 44.53 H new ATOM 0 HD13 LEU A 60 -1.685 -0.427 5.001 1.00 44.53 H new ATOM 0 HD21 LEU A 60 -3.099 2.196 4.216 1.00 62.54 H new ATOM 0 HD22 LEU A 60 -1.395 2.107 4.720 1.00 62.54 H new ATOM 0 HD23 LEU A 60 -1.823 2.845 3.159 1.00 62.54 H new TER 879 LEU A 60