USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -140:sc= 0 (180deg=-0.00521) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.054 (180deg=-0.0689) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.118) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0625) USER MOD Single : A 20 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.13) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -132:sc= -0.0129 (180deg=-1.08) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0236 USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 0.139 (180deg=0.132) USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= -0.0651 (180deg=-0.383) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.176 -0.937 -2.902 1.00 32.13 N ATOM 2 CA MET A 1 1.159 -0.203 -2.114 1.00 43.53 C ATOM 3 C MET A 1 2.484 -0.957 -2.059 1.00 0.35 C ATOM 4 O MET A 1 2.524 -2.174 -2.238 1.00 1.51 O ATOM 5 CB MET A 1 0.635 0.036 -0.697 1.00 74.21 C ATOM 6 CG MET A 1 -0.577 0.952 -0.644 1.00 31.02 C ATOM 7 SD MET A 1 -1.084 1.336 1.044 1.00 71.45 S ATOM 8 CE MET A 1 0.093 2.617 1.468 1.00 42.13 C ATOM 0 H1 MET A 1 -0.116 -0.361 -3.717 1.00 32.13 H new ATOM 0 H2 MET A 1 0.596 -1.827 -3.240 1.00 32.13 H new ATOM 0 H3 MET A 1 -0.654 -1.148 -2.312 1.00 32.13 H new ATOM 0 HA MET A 1 1.329 0.759 -2.597 1.00 43.53 H new ATOM 0 HB2 MET A 1 0.376 -0.923 -0.248 1.00 74.21 H new ATOM 0 HB3 MET A 1 1.432 0.467 -0.091 1.00 74.21 H new ATOM 0 HG2 MET A 1 -0.350 1.879 -1.171 1.00 31.02 H new ATOM 0 HG3 MET A 1 -1.407 0.481 -1.170 1.00 31.02 H new ATOM 0 HE1 MET A 1 0.424 2.481 2.498 1.00 42.13 H new ATOM 0 HE2 MET A 1 0.952 2.557 0.800 1.00 42.13 H new ATOM 0 HE3 MET A 1 -0.379 3.594 1.365 1.00 42.13 H new ATOM 18 N ALA A 2 3.566 -0.226 -1.809 1.00 72.11 N ATOM 19 CA ALA A 2 4.891 -0.827 -1.728 1.00 44.22 C ATOM 20 C ALA A 2 5.923 0.184 -1.239 1.00 21.34 C ATOM 21 O ALA A 2 6.018 1.293 -1.763 1.00 32.50 O ATOM 22 CB ALA A 2 5.300 -1.388 -3.082 1.00 42.42 C ATOM 0 H ALA A 2 3.550 0.783 -1.659 1.00 72.11 H new ATOM 0 HA ALA A 2 4.849 -1.643 -1.006 1.00 44.22 H new ATOM 0 HB1 ALA A 2 6.292 -1.834 -3.007 1.00 42.42 H new ATOM 0 HB2 ALA A 2 4.583 -2.148 -3.392 1.00 42.42 H new ATOM 0 HB3 ALA A 2 5.318 -0.584 -3.818 1.00 42.42 H new ATOM 28 N GLY A 3 6.695 -0.207 -0.229 1.00 31.13 N ATOM 29 CA GLY A 3 7.709 0.677 0.315 1.00 0.11 C ATOM 30 C GLY A 3 9.108 0.296 -0.127 1.00 50.10 C ATOM 31 O GLY A 3 9.980 1.155 -0.262 1.00 73.02 O ATOM 0 H GLY A 3 6.636 -1.120 0.222 1.00 31.13 H new ATOM 0 HA2 GLY A 3 7.499 1.700 0.004 1.00 0.11 H new ATOM 0 HA3 GLY A 3 7.657 0.658 1.404 1.00 0.11 H new ATOM 35 N PHE A 4 9.325 -0.996 -0.352 1.00 14.44 N ATOM 36 CA PHE A 4 10.629 -1.489 -0.778 1.00 72.24 C ATOM 37 C PHE A 4 11.120 -0.734 -2.010 1.00 12.32 C ATOM 38 O PHE A 4 12.309 -0.439 -2.138 1.00 71.15 O ATOM 39 CB PHE A 4 10.557 -2.987 -1.080 1.00 72.44 C ATOM 40 CG PHE A 4 11.775 -3.517 -1.782 1.00 11.22 C ATOM 41 CD1 PHE A 4 12.872 -3.954 -1.058 1.00 22.22 C ATOM 42 CD2 PHE A 4 11.823 -3.576 -3.165 1.00 72.33 C ATOM 43 CE1 PHE A 4 13.995 -4.442 -1.700 1.00 73.21 C ATOM 44 CE2 PHE A 4 12.942 -4.064 -3.813 1.00 42.31 C ATOM 45 CZ PHE A 4 14.030 -4.496 -3.080 1.00 11.03 C ATOM 0 H PHE A 4 8.614 -1.720 -0.246 1.00 14.44 H new ATOM 0 HA PHE A 4 11.336 -1.322 0.035 1.00 72.24 H new ATOM 0 HB2 PHE A 4 10.420 -3.532 -0.146 1.00 72.44 H new ATOM 0 HB3 PHE A 4 9.679 -3.184 -1.695 1.00 72.44 H new ATOM 0 HD1 PHE A 4 12.850 -3.913 0.021 1.00 22.22 H new ATOM 0 HD2 PHE A 4 10.976 -3.237 -3.744 1.00 72.33 H new ATOM 0 HE1 PHE A 4 14.843 -4.780 -1.124 1.00 73.21 H new ATOM 0 HE2 PHE A 4 12.966 -4.108 -4.892 1.00 42.31 H new ATOM 0 HZ PHE A 4 14.906 -4.875 -3.585 1.00 11.03 H new ATOM 55 N LEU A 5 10.197 -0.423 -2.913 1.00 75.51 N ATOM 56 CA LEU A 5 10.534 0.297 -4.136 1.00 10.43 C ATOM 57 C LEU A 5 10.672 1.792 -3.866 1.00 3.33 C ATOM 58 O LEU A 5 11.377 2.502 -4.584 1.00 72.44 O ATOM 59 CB LEU A 5 9.466 0.057 -5.204 1.00 50.21 C ATOM 60 CG LEU A 5 9.536 -1.285 -5.934 1.00 4.33 C ATOM 61 CD1 LEU A 5 8.148 -1.890 -6.073 1.00 23.24 C ATOM 62 CD2 LEU A 5 10.186 -1.116 -7.300 1.00 14.34 C ATOM 0 H LEU A 5 9.209 -0.658 -2.821 1.00 75.51 H new ATOM 0 HA LEU A 5 11.491 -0.079 -4.498 1.00 10.43 H new ATOM 0 HB2 LEU A 5 8.486 0.142 -4.735 1.00 50.21 H new ATOM 0 HB3 LEU A 5 9.535 0.854 -5.944 1.00 50.21 H new ATOM 0 HG LEU A 5 10.149 -1.966 -5.344 1.00 4.33 H new ATOM 0 HD11 LEU A 5 8.218 -2.844 -6.595 1.00 23.24 H new ATOM 0 HD12 LEU A 5 7.719 -2.048 -5.083 1.00 23.24 H new ATOM 0 HD13 LEU A 5 7.511 -1.212 -6.641 1.00 23.24 H new ATOM 0 HD21 LEU A 5 10.227 -2.081 -7.805 1.00 14.34 H new ATOM 0 HD22 LEU A 5 9.600 -0.418 -7.898 1.00 14.34 H new ATOM 0 HD23 LEU A 5 11.197 -0.728 -7.176 1.00 14.34 H new ATOM 74 N LYS A 6 9.997 2.265 -2.824 1.00 0.03 N ATOM 75 CA LYS A 6 10.046 3.675 -2.455 1.00 64.11 C ATOM 76 C LYS A 6 11.331 3.994 -1.697 1.00 50.52 C ATOM 77 O LYS A 6 11.757 5.148 -1.636 1.00 70.11 O ATOM 78 CB LYS A 6 8.832 4.042 -1.599 1.00 50.33 C ATOM 79 CG LYS A 6 8.358 5.472 -1.798 1.00 71.41 C ATOM 80 CD LYS A 6 7.405 5.902 -0.695 1.00 65.40 C ATOM 81 CE LYS A 6 6.426 6.957 -1.185 1.00 33.03 C ATOM 82 NZ LYS A 6 7.044 8.311 -1.227 1.00 21.01 N ATOM 0 H LYS A 6 9.409 1.692 -2.219 1.00 0.03 H new ATOM 0 HA LYS A 6 10.029 4.266 -3.371 1.00 64.11 H new ATOM 0 HB2 LYS A 6 8.014 3.361 -1.833 1.00 50.33 H new ATOM 0 HB3 LYS A 6 9.080 3.893 -0.548 1.00 50.33 H new ATOM 0 HG2 LYS A 6 9.218 6.142 -1.819 1.00 71.41 H new ATOM 0 HG3 LYS A 6 7.861 5.561 -2.764 1.00 71.41 H new ATOM 0 HD2 LYS A 6 6.855 5.035 -0.330 1.00 65.40 H new ATOM 0 HD3 LYS A 6 7.975 6.296 0.147 1.00 65.40 H new ATOM 0 HE2 LYS A 6 6.071 6.689 -2.180 1.00 33.03 H new ATOM 0 HE3 LYS A 6 5.555 6.976 -0.530 1.00 33.03 H new ATOM 0 HZ1 LYS A 6 6.344 9.002 -1.566 1.00 21.01 H new ATOM 0 HZ2 LYS A 6 7.360 8.578 -0.273 1.00 21.01 H new ATOM 0 HZ3 LYS A 6 7.860 8.300 -1.871 1.00 21.01 H new ATOM 96 N VAL A 7 11.945 2.965 -1.122 1.00 0.40 N ATOM 97 CA VAL A 7 13.183 3.136 -0.370 1.00 54.44 C ATOM 98 C VAL A 7 14.401 2.916 -1.260 1.00 52.11 C ATOM 99 O VAL A 7 15.539 2.946 -0.792 1.00 11.23 O ATOM 100 CB VAL A 7 13.252 2.168 0.825 1.00 32.31 C ATOM 101 CG1 VAL A 7 12.110 2.433 1.794 1.00 1.24 C ATOM 102 CG2 VAL A 7 13.228 0.725 0.343 1.00 5.02 C ATOM 0 H VAL A 7 11.606 2.004 -1.162 1.00 0.40 H new ATOM 0 HA VAL A 7 13.189 4.161 0.002 1.00 54.44 H new ATOM 0 HB VAL A 7 14.191 2.336 1.353 1.00 32.31 H new ATOM 0 HG11 VAL A 7 12.175 1.739 2.632 1.00 1.24 H new ATOM 0 HG12 VAL A 7 12.177 3.456 2.164 1.00 1.24 H new ATOM 0 HG13 VAL A 7 11.158 2.294 1.281 1.00 1.24 H new ATOM 0 HG21 VAL A 7 13.277 0.054 1.201 1.00 5.02 H new ATOM 0 HG22 VAL A 7 12.306 0.541 -0.209 1.00 5.02 H new ATOM 0 HG23 VAL A 7 14.083 0.545 -0.308 1.00 5.02 H new ATOM 112 N VAL A 8 14.154 2.695 -2.547 1.00 64.15 N ATOM 113 CA VAL A 8 15.231 2.471 -3.505 1.00 22.14 C ATOM 114 C VAL A 8 15.480 3.713 -4.352 1.00 43.42 C ATOM 115 O VAL A 8 16.604 3.964 -4.788 1.00 74.42 O ATOM 116 CB VAL A 8 14.918 1.283 -4.434 1.00 2.12 C ATOM 117 CG1 VAL A 8 16.013 1.118 -5.477 1.00 23.35 C ATOM 118 CG2 VAL A 8 14.743 0.006 -3.625 1.00 42.54 C ATOM 0 H VAL A 8 13.218 2.666 -2.951 1.00 64.15 H new ATOM 0 HA VAL A 8 16.127 2.244 -2.927 1.00 22.14 H new ATOM 0 HB VAL A 8 13.982 1.487 -4.954 1.00 2.12 H new ATOM 0 HG11 VAL A 8 15.775 0.274 -6.124 1.00 23.35 H new ATOM 0 HG12 VAL A 8 16.085 2.026 -6.076 1.00 23.35 H new ATOM 0 HG13 VAL A 8 16.965 0.936 -4.979 1.00 23.35 H new ATOM 0 HG21 VAL A 8 14.522 -0.823 -4.297 1.00 42.54 H new ATOM 0 HG22 VAL A 8 15.661 -0.206 -3.076 1.00 42.54 H new ATOM 0 HG23 VAL A 8 13.920 0.131 -2.921 1.00 42.54 H new ATOM 128 N GLN A 9 14.425 4.488 -4.581 1.00 51.20 N ATOM 129 CA GLN A 9 14.530 5.705 -5.377 1.00 53.31 C ATOM 130 C GLN A 9 15.474 6.706 -4.719 1.00 54.44 C ATOM 131 O GLN A 9 16.065 7.552 -5.392 1.00 4.02 O ATOM 132 CB GLN A 9 13.149 6.336 -5.567 1.00 2.45 C ATOM 133 CG GLN A 9 12.619 7.024 -4.319 1.00 55.52 C ATOM 134 CD GLN A 9 11.236 7.612 -4.521 1.00 12.44 C ATOM 135 OE1 GLN A 9 10.631 7.457 -5.582 1.00 42.40 O ATOM 136 NE2 GLN A 9 10.727 8.292 -3.500 1.00 12.23 N ATOM 0 H GLN A 9 13.488 4.295 -4.227 1.00 51.20 H new ATOM 0 HA GLN A 9 14.936 5.438 -6.352 1.00 53.31 H new ATOM 0 HB2 GLN A 9 13.199 7.062 -6.379 1.00 2.45 H new ATOM 0 HB3 GLN A 9 12.444 5.563 -5.873 1.00 2.45 H new ATOM 0 HG2 GLN A 9 12.589 6.307 -3.498 1.00 55.52 H new ATOM 0 HG3 GLN A 9 13.307 7.816 -4.025 1.00 55.52 H new ATOM 0 HE21 GLN A 9 11.263 8.396 -2.639 1.00 12.23 H new ATOM 0 HE22 GLN A 9 9.800 8.710 -3.577 1.00 12.23 H new ATOM 145 N LEU A 10 15.610 6.606 -3.402 1.00 31.12 N ATOM 146 CA LEU A 10 16.482 7.503 -2.652 1.00 42.12 C ATOM 147 C LEU A 10 17.945 7.099 -2.810 1.00 75.13 C ATOM 148 O LEU A 10 18.850 7.903 -2.586 1.00 50.41 O ATOM 149 CB LEU A 10 16.098 7.501 -1.172 1.00 31.25 C ATOM 150 CG LEU A 10 14.622 7.753 -0.861 1.00 21.22 C ATOM 151 CD1 LEU A 10 14.397 7.823 0.642 1.00 45.43 C ATOM 152 CD2 LEU A 10 14.146 9.032 -1.534 1.00 3.13 C ATOM 0 H LEU A 10 15.127 5.912 -2.831 1.00 31.12 H new ATOM 0 HA LEU A 10 16.357 8.509 -3.052 1.00 42.12 H new ATOM 0 HB2 LEU A 10 16.379 6.538 -0.746 1.00 31.25 H new ATOM 0 HB3 LEU A 10 16.691 8.261 -0.662 1.00 31.25 H new ATOM 0 HG LEU A 10 14.040 6.920 -1.256 1.00 21.22 H new ATOM 0 HD11 LEU A 10 13.341 8.003 0.844 1.00 45.43 H new ATOM 0 HD12 LEU A 10 14.698 6.881 1.099 1.00 45.43 H new ATOM 0 HD13 LEU A 10 14.990 8.636 1.061 1.00 45.43 H new ATOM 0 HD21 LEU A 10 13.094 9.195 -1.302 1.00 3.13 H new ATOM 0 HD22 LEU A 10 14.733 9.875 -1.170 1.00 3.13 H new ATOM 0 HD23 LEU A 10 14.270 8.943 -2.613 1.00 3.13 H new ATOM 164 N LEU A 11 18.168 5.849 -3.200 1.00 24.33 N ATOM 165 CA LEU A 11 19.521 5.338 -3.391 1.00 23.53 C ATOM 166 C LEU A 11 20.042 5.682 -4.783 1.00 30.35 C ATOM 167 O LEU A 11 20.471 4.803 -5.530 1.00 55.44 O ATOM 168 CB LEU A 11 19.549 3.822 -3.184 1.00 0.23 C ATOM 169 CG LEU A 11 19.593 3.344 -1.732 1.00 63.20 C ATOM 170 CD1 LEU A 11 20.822 3.896 -1.025 1.00 74.33 C ATOM 171 CD2 LEU A 11 18.325 3.752 -0.997 1.00 73.32 C ATOM 0 H LEU A 11 17.430 5.171 -3.390 1.00 24.33 H new ATOM 0 HA LEU A 11 20.169 5.812 -2.653 1.00 23.53 H new ATOM 0 HB2 LEU A 11 18.667 3.394 -3.660 1.00 0.23 H new ATOM 0 HB3 LEU A 11 20.418 3.420 -3.704 1.00 0.23 H new ATOM 0 HG LEU A 11 19.656 2.256 -1.730 1.00 63.20 H new ATOM 0 HD11 LEU A 11 20.836 3.545 0.007 1.00 74.33 H new ATOM 0 HD12 LEU A 11 21.721 3.553 -1.537 1.00 74.33 H new ATOM 0 HD13 LEU A 11 20.790 4.985 -1.038 1.00 74.33 H new ATOM 0 HD21 LEU A 11 18.374 3.403 0.035 1.00 73.32 H new ATOM 0 HD22 LEU A 11 18.231 4.838 -1.009 1.00 73.32 H new ATOM 0 HD23 LEU A 11 17.460 3.307 -1.489 1.00 73.32 H new ATOM 183 N ALA A 12 20.003 6.966 -5.122 1.00 65.02 N ATOM 184 CA ALA A 12 20.475 7.427 -6.422 1.00 63.21 C ATOM 185 C ALA A 12 21.603 8.441 -6.269 1.00 2.44 C ATOM 186 O ALA A 12 22.628 8.354 -6.945 1.00 60.43 O ATOM 187 CB ALA A 12 19.326 8.028 -7.218 1.00 3.43 C ATOM 0 H ALA A 12 19.650 7.705 -4.515 1.00 65.02 H new ATOM 0 HA ALA A 12 20.867 6.567 -6.964 1.00 63.21 H new ATOM 0 HB1 ALA A 12 19.693 8.368 -8.186 1.00 3.43 H new ATOM 0 HB2 ALA A 12 18.553 7.274 -7.367 1.00 3.43 H new ATOM 0 HB3 ALA A 12 18.908 8.873 -6.671 1.00 3.43 H new ATOM 193 N LYS A 13 21.408 9.405 -5.375 1.00 41.31 N ATOM 194 CA LYS A 13 22.409 10.437 -5.132 1.00 12.55 C ATOM 195 C LYS A 13 23.691 9.831 -4.572 1.00 23.45 C ATOM 196 O LYS A 13 24.758 10.442 -4.635 1.00 0.12 O ATOM 197 CB LYS A 13 21.863 11.487 -4.161 1.00 53.31 C ATOM 198 CG LYS A 13 21.589 10.945 -2.769 1.00 75.32 C ATOM 199 CD LYS A 13 20.102 10.731 -2.537 1.00 2.43 C ATOM 200 CE LYS A 13 19.449 11.967 -1.937 1.00 52.23 C ATOM 201 NZ LYS A 13 18.879 12.857 -2.986 1.00 42.54 N ATOM 0 H LYS A 13 20.566 9.493 -4.807 1.00 41.31 H new ATOM 0 HA LYS A 13 22.640 10.915 -6.084 1.00 12.55 H new ATOM 0 HB2 LYS A 13 22.576 12.308 -4.088 1.00 53.31 H new ATOM 0 HB3 LYS A 13 20.941 11.901 -4.568 1.00 53.31 H new ATOM 0 HG2 LYS A 13 22.119 10.002 -2.634 1.00 75.32 H new ATOM 0 HG3 LYS A 13 21.978 11.639 -2.024 1.00 75.32 H new ATOM 0 HD2 LYS A 13 19.617 10.484 -3.481 1.00 2.43 H new ATOM 0 HD3 LYS A 13 19.955 9.881 -1.871 1.00 2.43 H new ATOM 0 HE2 LYS A 13 18.659 11.663 -1.250 1.00 52.23 H new ATOM 0 HE3 LYS A 13 20.185 12.519 -1.353 1.00 52.23 H new ATOM 0 HZ1 LYS A 13 18.300 13.595 -2.538 1.00 42.54 H new ATOM 0 HZ2 LYS A 13 19.652 13.301 -3.522 1.00 42.54 H new ATOM 0 HZ3 LYS A 13 18.287 12.297 -3.632 1.00 42.54 H new ATOM 215 N TYR A 14 23.580 8.625 -4.025 1.00 62.13 N ATOM 216 CA TYR A 14 24.731 7.936 -3.454 1.00 20.14 C ATOM 217 C TYR A 14 25.571 7.279 -4.545 1.00 54.32 C ATOM 218 O TYR A 14 26.799 7.337 -4.518 1.00 62.44 O ATOM 219 CB TYR A 14 24.271 6.882 -2.445 1.00 25.03 C ATOM 220 CG TYR A 14 23.553 7.462 -1.248 1.00 2.35 C ATOM 221 CD1 TYR A 14 24.144 8.450 -0.470 1.00 12.52 C ATOM 222 CD2 TYR A 14 22.283 7.023 -0.895 1.00 30.12 C ATOM 223 CE1 TYR A 14 23.491 8.983 0.625 1.00 24.23 C ATOM 224 CE2 TYR A 14 21.622 7.551 0.198 1.00 64.32 C ATOM 225 CZ TYR A 14 22.231 8.530 0.955 1.00 70.11 C ATOM 226 OH TYR A 14 21.577 9.059 2.044 1.00 22.22 O ATOM 0 H TYR A 14 22.705 8.105 -3.965 1.00 62.13 H new ATOM 0 HA TYR A 14 25.348 8.675 -2.943 1.00 20.14 H new ATOM 0 HB2 TYR A 14 23.610 6.175 -2.947 1.00 25.03 H new ATOM 0 HB3 TYR A 14 25.138 6.319 -2.100 1.00 25.03 H new ATOM 0 HD1 TYR A 14 25.131 8.807 -0.725 1.00 12.52 H new ATOM 0 HD2 TYR A 14 21.804 6.256 -1.485 1.00 30.12 H new ATOM 0 HE1 TYR A 14 23.965 9.750 1.219 1.00 24.23 H new ATOM 0 HE2 TYR A 14 20.635 7.199 0.458 1.00 64.32 H new ATOM 0 HH TYR A 14 20.700 8.632 2.138 1.00 22.22 H new ATOM 236 N GLY A 15 24.896 6.655 -5.506 1.00 44.14 N ATOM 237 CA GLY A 15 25.595 5.997 -6.595 1.00 33.42 C ATOM 238 C GLY A 15 24.930 4.699 -7.009 1.00 24.52 C ATOM 239 O GLY A 15 23.713 4.645 -7.184 1.00 21.54 O ATOM 0 H GLY A 15 23.879 6.593 -5.550 1.00 44.14 H new ATOM 0 HA2 GLY A 15 25.640 6.668 -7.452 1.00 33.42 H new ATOM 0 HA3 GLY A 15 26.623 5.795 -6.294 1.00 33.42 H new ATOM 243 N SER A 16 25.732 3.650 -7.168 1.00 34.14 N ATOM 244 CA SER A 16 25.215 2.347 -7.569 1.00 74.13 C ATOM 245 C SER A 16 25.778 1.242 -6.681 1.00 33.31 C ATOM 246 O SER A 16 25.922 0.097 -7.110 1.00 35.53 O ATOM 247 CB SER A 16 25.561 2.066 -9.033 1.00 13.41 C ATOM 248 OG SER A 16 26.953 2.200 -9.262 1.00 72.43 O ATOM 0 H SER A 16 26.742 3.678 -7.025 1.00 34.14 H new ATOM 0 HA SER A 16 24.131 2.363 -7.456 1.00 74.13 H new ATOM 0 HB2 SER A 16 25.241 1.059 -9.299 1.00 13.41 H new ATOM 0 HB3 SER A 16 25.015 2.755 -9.678 1.00 13.41 H new ATOM 0 HG SER A 16 27.149 2.014 -10.204 1.00 72.43 H new ATOM 254 N LYS A 17 26.095 1.593 -5.440 1.00 2.35 N ATOM 255 CA LYS A 17 26.642 0.633 -4.488 1.00 13.31 C ATOM 256 C LYS A 17 25.681 0.414 -3.324 1.00 34.31 C ATOM 257 O LYS A 17 25.367 -0.723 -2.972 1.00 1.03 O ATOM 258 CB LYS A 17 27.994 1.119 -3.962 1.00 21.03 C ATOM 259 CG LYS A 17 28.784 0.046 -3.232 1.00 51.02 C ATOM 260 CD LYS A 17 29.540 -0.846 -4.202 1.00 44.12 C ATOM 261 CE LYS A 17 30.149 -2.048 -3.496 1.00 11.44 C ATOM 262 NZ LYS A 17 29.116 -3.053 -3.121 1.00 52.40 N ATOM 0 H LYS A 17 25.983 2.536 -5.069 1.00 2.35 H new ATOM 0 HA LYS A 17 26.780 -0.316 -5.006 1.00 13.31 H new ATOM 0 HB2 LYS A 17 28.587 1.490 -4.798 1.00 21.03 H new ATOM 0 HB3 LYS A 17 27.831 1.960 -3.288 1.00 21.03 H new ATOM 0 HG2 LYS A 17 29.487 0.515 -2.544 1.00 51.02 H new ATOM 0 HG3 LYS A 17 28.107 -0.560 -2.631 1.00 51.02 H new ATOM 0 HD2 LYS A 17 28.864 -1.187 -4.986 1.00 44.12 H new ATOM 0 HD3 LYS A 17 30.328 -0.271 -4.688 1.00 44.12 H new ATOM 0 HE2 LYS A 17 30.890 -2.514 -4.146 1.00 11.44 H new ATOM 0 HE3 LYS A 17 30.674 -1.716 -2.601 1.00 11.44 H new ATOM 0 HZ1 LYS A 17 29.581 -3.919 -2.782 1.00 52.40 H new ATOM 0 HZ2 LYS A 17 28.513 -2.666 -2.367 1.00 52.40 H new ATOM 0 HZ3 LYS A 17 28.531 -3.276 -3.952 1.00 52.40 H new ATOM 276 N ALA A 18 25.215 1.509 -2.732 1.00 24.21 N ATOM 277 CA ALA A 18 24.287 1.435 -1.610 1.00 43.33 C ATOM 278 C ALA A 18 22.941 0.869 -2.048 1.00 71.22 C ATOM 279 O ALA A 18 22.200 0.307 -1.241 1.00 64.21 O ATOM 280 CB ALA A 18 24.105 2.810 -0.985 1.00 3.31 C ATOM 0 H ALA A 18 25.465 2.458 -3.011 1.00 24.21 H new ATOM 0 HA ALA A 18 24.710 0.762 -0.864 1.00 43.33 H new ATOM 0 HB1 ALA A 18 23.410 2.740 -0.148 1.00 3.31 H new ATOM 0 HB2 ALA A 18 25.067 3.177 -0.628 1.00 3.31 H new ATOM 0 HB3 ALA A 18 23.708 3.499 -1.731 1.00 3.31 H new ATOM 286 N VAL A 19 22.629 1.021 -3.331 1.00 61.14 N ATOM 287 CA VAL A 19 21.371 0.524 -3.877 1.00 4.04 C ATOM 288 C VAL A 19 21.405 -0.991 -4.043 1.00 21.00 C ATOM 289 O VAL A 19 20.368 -1.652 -4.001 1.00 22.41 O ATOM 290 CB VAL A 19 21.055 1.172 -5.238 1.00 12.04 C ATOM 291 CG1 VAL A 19 22.062 0.729 -6.287 1.00 44.14 C ATOM 292 CG2 VAL A 19 19.637 0.833 -5.671 1.00 54.24 C ATOM 0 H VAL A 19 23.230 1.485 -4.012 1.00 61.14 H new ATOM 0 HA VAL A 19 20.589 0.791 -3.166 1.00 4.04 H new ATOM 0 HB VAL A 19 21.130 2.254 -5.133 1.00 12.04 H new ATOM 0 HG11 VAL A 19 21.822 1.197 -7.242 1.00 44.14 H new ATOM 0 HG12 VAL A 19 23.064 1.027 -5.978 1.00 44.14 H new ATOM 0 HG13 VAL A 19 22.023 -0.355 -6.394 1.00 44.14 H new ATOM 0 HG21 VAL A 19 19.430 1.299 -6.635 1.00 54.24 H new ATOM 0 HG22 VAL A 19 19.533 -0.248 -5.760 1.00 54.24 H new ATOM 0 HG23 VAL A 19 18.931 1.205 -4.929 1.00 54.24 H new ATOM 302 N GLN A 20 22.604 -1.534 -4.232 1.00 14.45 N ATOM 303 CA GLN A 20 22.772 -2.972 -4.404 1.00 51.35 C ATOM 304 C GLN A 20 22.396 -3.721 -3.130 1.00 50.14 C ATOM 305 O GLN A 20 21.768 -4.778 -3.183 1.00 61.42 O ATOM 306 CB GLN A 20 24.216 -3.294 -4.793 1.00 31.42 C ATOM 307 CG GLN A 20 24.364 -4.606 -5.548 1.00 3.54 C ATOM 308 CD GLN A 20 23.688 -4.578 -6.904 1.00 12.11 C ATOM 309 OE1 GLN A 20 23.966 -3.710 -7.732 1.00 13.44 O ATOM 310 NE2 GLN A 20 22.794 -5.531 -7.139 1.00 73.03 N ATOM 0 H GLN A 20 23.472 -1.000 -4.270 1.00 14.45 H new ATOM 0 HA GLN A 20 22.106 -3.297 -5.203 1.00 51.35 H new ATOM 0 HB2 GLN A 20 24.607 -2.484 -5.409 1.00 31.42 H new ATOM 0 HB3 GLN A 20 24.827 -3.332 -3.891 1.00 31.42 H new ATOM 0 HG2 GLN A 20 25.423 -4.828 -5.679 1.00 3.54 H new ATOM 0 HG3 GLN A 20 23.940 -5.414 -4.952 1.00 3.54 H new ATOM 0 HE21 GLN A 20 22.594 -6.231 -6.424 1.00 73.03 H new ATOM 0 HE22 GLN A 20 22.307 -5.564 -8.035 1.00 73.03 H new ATOM 319 N TRP A 21 22.784 -3.166 -1.988 1.00 21.32 N ATOM 320 CA TRP A 21 22.488 -3.783 -0.700 1.00 12.13 C ATOM 321 C TRP A 21 20.999 -4.085 -0.570 1.00 51.14 C ATOM 322 O TRP A 21 20.602 -5.238 -0.406 1.00 63.22 O ATOM 323 CB TRP A 21 22.936 -2.869 0.442 1.00 44.13 C ATOM 324 CG TRP A 21 22.895 -3.532 1.785 1.00 35.02 C ATOM 325 CD1 TRP A 21 23.656 -4.586 2.203 1.00 74.32 C ATOM 326 CD2 TRP A 21 22.046 -3.186 2.885 1.00 21.34 C ATOM 327 NE1 TRP A 21 23.331 -4.917 3.497 1.00 44.24 N ATOM 328 CE2 TRP A 21 22.347 -4.072 3.938 1.00 24.42 C ATOM 329 CE3 TRP A 21 21.063 -2.213 3.085 1.00 71.55 C ATOM 330 CZ2 TRP A 21 21.699 -4.013 5.169 1.00 61.30 C ATOM 331 CZ3 TRP A 21 20.420 -2.156 4.306 1.00 22.45 C ATOM 332 CH2 TRP A 21 20.741 -3.051 5.336 1.00 13.02 C ATOM 0 H TRP A 21 23.304 -2.291 -1.927 1.00 21.32 H new ATOM 0 HA TRP A 21 23.037 -4.723 -0.641 1.00 12.13 H new ATOM 0 HB2 TRP A 21 23.952 -2.525 0.245 1.00 44.13 H new ATOM 0 HB3 TRP A 21 22.298 -1.985 0.462 1.00 44.13 H new ATOM 0 HD1 TRP A 21 24.403 -5.086 1.605 1.00 74.32 H new ATOM 0 HE1 TRP A 21 23.754 -5.669 4.041 1.00 44.24 H new ATOM 0 HE3 TRP A 21 20.810 -1.518 2.298 1.00 71.55 H new ATOM 0 HZ2 TRP A 21 21.944 -4.702 5.964 1.00 61.30 H new ATOM 0 HZ3 TRP A 21 19.657 -1.409 4.470 1.00 22.45 H new ATOM 0 HH2 TRP A 21 20.222 -2.980 6.280 1.00 13.02 H new ATOM 343 N ALA A 22 20.179 -3.042 -0.646 1.00 1.42 N ATOM 344 CA ALA A 22 18.734 -3.197 -0.539 1.00 53.44 C ATOM 345 C ALA A 22 18.223 -4.258 -1.508 1.00 55.41 C ATOM 346 O ALA A 22 17.395 -5.094 -1.147 1.00 31.13 O ATOM 347 CB ALA A 22 18.040 -1.867 -0.796 1.00 10.12 C ATOM 0 H ALA A 22 20.491 -2.080 -0.781 1.00 1.42 H new ATOM 0 HA ALA A 22 18.502 -3.525 0.474 1.00 53.44 H new ATOM 0 HB1 ALA A 22 16.961 -1.998 -0.713 1.00 10.12 H new ATOM 0 HB2 ALA A 22 18.374 -1.134 -0.062 1.00 10.12 H new ATOM 0 HB3 ALA A 22 18.287 -1.515 -1.798 1.00 10.12 H new ATOM 353 N TRP A 23 18.720 -4.217 -2.739 1.00 12.42 N ATOM 354 CA TRP A 23 18.312 -5.175 -3.760 1.00 0.01 C ATOM 355 C TRP A 23 18.750 -6.587 -3.387 1.00 42.02 C ATOM 356 O TRP A 23 18.113 -7.566 -3.774 1.00 22.55 O ATOM 357 CB TRP A 23 18.901 -4.787 -5.117 1.00 53.42 C ATOM 358 CG TRP A 23 18.018 -3.868 -5.907 1.00 34.52 C ATOM 359 CD1 TRP A 23 18.269 -2.565 -6.229 1.00 65.41 C ATOM 360 CD2 TRP A 23 16.740 -4.184 -6.472 1.00 3.24 C ATOM 361 NE1 TRP A 23 17.226 -2.052 -6.960 1.00 54.23 N ATOM 362 CE2 TRP A 23 16.275 -3.025 -7.123 1.00 44.25 C ATOM 363 CE3 TRP A 23 15.945 -5.333 -6.492 1.00 42.21 C ATOM 364 CZ2 TRP A 23 15.051 -2.984 -7.786 1.00 4.02 C ATOM 365 CZ3 TRP A 23 14.730 -5.290 -7.150 1.00 25.54 C ATOM 366 CH2 TRP A 23 14.293 -4.123 -7.790 1.00 23.22 C ATOM 0 H TRP A 23 19.406 -3.531 -3.054 1.00 12.42 H new ATOM 0 HA TRP A 23 17.224 -5.157 -3.826 1.00 0.01 H new ATOM 0 HB2 TRP A 23 19.867 -4.307 -4.962 1.00 53.42 H new ATOM 0 HB3 TRP A 23 19.084 -5.691 -5.697 1.00 53.42 H new ATOM 0 HD1 TRP A 23 19.157 -2.018 -5.950 1.00 65.41 H new ATOM 0 HE1 TRP A 23 17.168 -1.101 -7.323 1.00 54.23 H new ATOM 0 HE3 TRP A 23 16.274 -6.238 -6.002 1.00 42.21 H new ATOM 0 HZ2 TRP A 23 14.712 -2.085 -8.279 1.00 4.02 H new ATOM 0 HZ3 TRP A 23 14.107 -6.172 -7.171 1.00 25.54 H new ATOM 0 HH2 TRP A 23 13.339 -4.122 -8.296 1.00 23.22 H new ATOM 377 N ALA A 24 19.841 -6.684 -2.634 1.00 70.23 N ATOM 378 CA ALA A 24 20.362 -7.977 -2.208 1.00 2.11 C ATOM 379 C ALA A 24 19.632 -8.481 -0.967 1.00 44.14 C ATOM 380 O ALA A 24 18.866 -9.441 -1.034 1.00 54.41 O ATOM 381 CB ALA A 24 21.857 -7.881 -1.941 1.00 20.22 C ATOM 0 H ALA A 24 20.381 -5.883 -2.307 1.00 70.23 H new ATOM 0 HA ALA A 24 20.193 -8.693 -3.013 1.00 2.11 H new ATOM 0 HB1 ALA A 24 22.233 -8.854 -1.624 1.00 20.22 H new ATOM 0 HB2 ALA A 24 22.370 -7.573 -2.852 1.00 20.22 H new ATOM 0 HB3 ALA A 24 22.040 -7.147 -1.156 1.00 20.22 H new ATOM 387 N ASN A 25 19.877 -7.828 0.164 1.00 41.42 N ATOM 388 CA ASN A 25 19.244 -8.211 1.420 1.00 13.03 C ATOM 389 C ASN A 25 17.805 -7.706 1.480 1.00 22.35 C ATOM 390 O ASN A 25 17.478 -6.823 2.273 1.00 12.21 O ATOM 391 CB ASN A 25 20.039 -7.660 2.605 1.00 22.25 C ATOM 392 CG ASN A 25 21.409 -8.298 2.729 1.00 64.43 C ATOM 393 OD1 ASN A 25 21.588 -9.275 3.457 1.00 45.22 O ATOM 394 ND2 ASN A 25 22.385 -7.748 2.015 1.00 13.43 N ATOM 0 H ASN A 25 20.509 -7.031 0.236 1.00 41.42 H new ATOM 0 HA ASN A 25 19.231 -9.300 1.474 1.00 13.03 H new ATOM 0 HB2 ASN A 25 20.152 -6.582 2.493 1.00 22.25 H new ATOM 0 HB3 ASN A 25 19.478 -7.828 3.525 1.00 22.25 H new ATOM 0 HD21 ASN A 25 23.328 -8.135 2.057 1.00 13.43 H new ATOM 0 HD22 ASN A 25 22.191 -6.939 1.425 1.00 13.43 H new ATOM 401 N LYS A 26 16.949 -8.274 0.638 1.00 41.14 N ATOM 402 CA LYS A 26 15.545 -7.884 0.595 1.00 73.32 C ATOM 403 C LYS A 26 14.706 -8.772 1.509 1.00 52.23 C ATOM 404 O LYS A 26 13.741 -9.396 1.069 1.00 12.42 O ATOM 405 CB LYS A 26 15.015 -7.965 -0.839 1.00 22.32 C ATOM 406 CG LYS A 26 15.217 -9.325 -1.486 1.00 10.41 C ATOM 407 CD LYS A 26 14.345 -9.490 -2.719 1.00 43.25 C ATOM 408 CE LYS A 26 12.979 -10.056 -2.365 1.00 11.23 C ATOM 409 NZ LYS A 26 12.300 -10.651 -3.549 1.00 65.02 N ATOM 0 H LYS A 26 17.203 -9.007 -0.025 1.00 41.14 H new ATOM 0 HA LYS A 26 15.469 -6.855 0.946 1.00 73.32 H new ATOM 0 HB2 LYS A 26 13.951 -7.727 -0.838 1.00 22.32 H new ATOM 0 HB3 LYS A 26 15.511 -7.207 -1.444 1.00 22.32 H new ATOM 0 HG2 LYS A 26 16.265 -9.446 -1.761 1.00 10.41 H new ATOM 0 HG3 LYS A 26 14.984 -10.110 -0.766 1.00 10.41 H new ATOM 0 HD2 LYS A 26 14.224 -8.525 -3.212 1.00 43.25 H new ATOM 0 HD3 LYS A 26 14.840 -10.151 -3.430 1.00 43.25 H new ATOM 0 HE2 LYS A 26 13.090 -10.815 -1.591 1.00 11.23 H new ATOM 0 HE3 LYS A 26 12.355 -9.265 -1.948 1.00 11.23 H new ATOM 0 HZ1 LYS A 26 11.372 -11.025 -3.265 1.00 65.02 H new ATOM 0 HZ2 LYS A 26 12.170 -9.921 -4.278 1.00 65.02 H new ATOM 0 HZ3 LYS A 26 12.883 -11.423 -3.932 1.00 65.02 H new ATOM 423 N GLY A 27 15.080 -8.822 2.784 1.00 71.44 N ATOM 424 CA GLY A 27 14.350 -9.635 3.739 1.00 23.12 C ATOM 425 C GLY A 27 14.046 -8.888 5.023 1.00 72.15 C ATOM 426 O GLY A 27 12.883 -8.655 5.353 1.00 1.43 O ATOM 0 H GLY A 27 15.875 -8.314 3.172 1.00 71.44 H new ATOM 0 HA2 GLY A 27 13.416 -9.970 3.287 1.00 23.12 H new ATOM 0 HA3 GLY A 27 14.931 -10.528 3.970 1.00 23.12 H new ATOM 430 N LYS A 28 15.093 -8.513 5.750 1.00 72.14 N ATOM 431 CA LYS A 28 14.933 -7.788 7.005 1.00 63.43 C ATOM 432 C LYS A 28 14.380 -6.389 6.758 1.00 10.53 C ATOM 433 O LYS A 28 13.735 -5.804 7.629 1.00 75.10 O ATOM 434 CB LYS A 28 16.273 -7.697 7.738 1.00 1.15 C ATOM 435 CG LYS A 28 17.291 -6.814 7.038 1.00 64.55 C ATOM 436 CD LYS A 28 18.501 -6.550 7.919 1.00 71.54 C ATOM 437 CE LYS A 28 19.642 -5.929 7.128 1.00 72.15 C ATOM 438 NZ LYS A 28 20.899 -5.865 7.924 1.00 75.02 N ATOM 0 H LYS A 28 16.062 -8.699 5.491 1.00 72.14 H new ATOM 0 HA LYS A 28 14.223 -8.335 7.625 1.00 63.43 H new ATOM 0 HB2 LYS A 28 16.102 -7.313 8.744 1.00 1.15 H new ATOM 0 HB3 LYS A 28 16.687 -8.699 7.846 1.00 1.15 H new ATOM 0 HG2 LYS A 28 17.612 -7.291 6.112 1.00 64.55 H new ATOM 0 HG3 LYS A 28 16.826 -5.867 6.765 1.00 64.55 H new ATOM 0 HD2 LYS A 28 18.219 -5.886 8.736 1.00 71.54 H new ATOM 0 HD3 LYS A 28 18.835 -7.485 8.369 1.00 71.54 H new ATOM 0 HE2 LYS A 28 19.815 -6.511 6.223 1.00 72.15 H new ATOM 0 HE3 LYS A 28 19.360 -4.924 6.813 1.00 72.15 H new ATOM 0 HZ1 LYS A 28 21.311 -4.913 7.846 1.00 75.02 H new ATOM 0 HZ2 LYS A 28 20.689 -6.071 8.922 1.00 75.02 H new ATOM 0 HZ3 LYS A 28 21.576 -6.566 7.561 1.00 75.02 H new ATOM 452 N ILE A 29 14.636 -5.857 5.567 1.00 34.54 N ATOM 453 CA ILE A 29 14.160 -4.528 5.207 1.00 45.53 C ATOM 454 C ILE A 29 12.639 -4.493 5.117 1.00 74.25 C ATOM 455 O ILE A 29 12.000 -3.544 5.573 1.00 51.13 O ATOM 456 CB ILE A 29 14.754 -4.063 3.864 1.00 53.24 C ATOM 457 CG1 ILE A 29 16.282 -4.126 3.907 1.00 71.31 C ATOM 458 CG2 ILE A 29 14.286 -2.652 3.538 1.00 72.44 C ATOM 459 CD1 ILE A 29 16.941 -3.701 2.613 1.00 22.55 C ATOM 0 H ILE A 29 15.170 -6.326 4.836 1.00 34.54 H new ATOM 0 HA ILE A 29 14.489 -3.851 5.995 1.00 45.53 H new ATOM 0 HB ILE A 29 14.404 -4.732 3.078 1.00 53.24 H new ATOM 0 HG12 ILE A 29 16.641 -3.488 4.715 1.00 71.31 H new ATOM 0 HG13 ILE A 29 16.589 -5.145 4.144 1.00 71.31 H new ATOM 0 HG21 ILE A 29 14.714 -2.337 2.586 1.00 72.44 H new ATOM 0 HG22 ILE A 29 13.198 -2.636 3.470 1.00 72.44 H new ATOM 0 HG23 ILE A 29 14.610 -1.970 4.324 1.00 72.44 H new ATOM 0 HD11 ILE A 29 18.024 -3.771 2.716 1.00 22.55 H new ATOM 0 HD12 ILE A 29 16.611 -4.354 1.805 1.00 22.55 H new ATOM 0 HD13 ILE A 29 16.664 -2.672 2.384 1.00 22.55 H new ATOM 471 N LEU A 30 12.063 -5.535 4.527 1.00 71.11 N ATOM 472 CA LEU A 30 10.615 -5.626 4.378 1.00 35.12 C ATOM 473 C LEU A 30 9.921 -5.537 5.734 1.00 43.20 C ATOM 474 O LEU A 30 8.764 -5.127 5.825 1.00 41.42 O ATOM 475 CB LEU A 30 10.235 -6.935 3.684 1.00 54.14 C ATOM 476 CG LEU A 30 10.295 -6.926 2.156 1.00 51.13 C ATOM 477 CD1 LEU A 30 9.271 -5.956 1.587 1.00 41.12 C ATOM 478 CD2 LEU A 30 11.695 -6.567 1.679 1.00 12.23 C ATOM 0 H LEU A 30 12.577 -6.329 4.144 1.00 71.11 H new ATOM 0 HA LEU A 30 10.285 -4.787 3.765 1.00 35.12 H new ATOM 0 HB2 LEU A 30 10.895 -7.722 4.049 1.00 54.14 H new ATOM 0 HB3 LEU A 30 9.223 -7.203 3.986 1.00 54.14 H new ATOM 0 HG LEU A 30 10.056 -7.927 1.797 1.00 51.13 H new ATOM 0 HD11 LEU A 30 9.329 -5.963 0.499 1.00 41.12 H new ATOM 0 HD12 LEU A 30 8.271 -6.258 1.900 1.00 41.12 H new ATOM 0 HD13 LEU A 30 9.478 -4.951 1.955 1.00 41.12 H new ATOM 0 HD21 LEU A 30 11.719 -6.565 0.589 1.00 12.23 H new ATOM 0 HD22 LEU A 30 11.963 -5.577 2.049 1.00 12.23 H new ATOM 0 HD23 LEU A 30 12.407 -7.301 2.056 1.00 12.23 H new ATOM 490 N ASP A 31 10.637 -5.922 6.785 1.00 50.51 N ATOM 491 CA ASP A 31 10.092 -5.882 8.137 1.00 50.10 C ATOM 492 C ASP A 31 10.060 -4.452 8.668 1.00 32.32 C ATOM 493 O ASP A 31 9.104 -4.047 9.329 1.00 12.04 O ATOM 494 CB ASP A 31 10.920 -6.767 9.070 1.00 60.33 C ATOM 495 CG ASP A 31 10.584 -8.238 8.921 1.00 31.13 C ATOM 496 OD1 ASP A 31 11.110 -8.875 7.985 1.00 51.12 O ATOM 497 OD2 ASP A 31 9.794 -8.752 9.741 1.00 22.31 O ATOM 0 H ASP A 31 11.596 -6.265 6.727 1.00 50.51 H new ATOM 0 HA ASP A 31 9.070 -6.260 8.102 1.00 50.10 H new ATOM 0 HB2 ASP A 31 11.980 -6.616 8.863 1.00 60.33 H new ATOM 0 HB3 ASP A 31 10.750 -6.461 10.102 1.00 60.33 H new ATOM 502 N TRP A 32 11.110 -3.694 8.376 1.00 62.34 N ATOM 503 CA TRP A 32 11.202 -2.310 8.825 1.00 5.20 C ATOM 504 C TRP A 32 9.949 -1.529 8.444 1.00 23.33 C ATOM 505 O TRP A 32 9.426 -0.749 9.241 1.00 72.11 O ATOM 506 CB TRP A 32 12.439 -1.638 8.225 1.00 73.45 C ATOM 507 CG TRP A 32 13.719 -2.053 8.884 1.00 61.11 C ATOM 508 CD1 TRP A 32 13.873 -2.504 10.164 1.00 63.34 C ATOM 509 CD2 TRP A 32 15.025 -2.053 8.296 1.00 12.45 C ATOM 510 NE1 TRP A 32 15.196 -2.784 10.407 1.00 23.32 N ATOM 511 CE2 TRP A 32 15.923 -2.517 9.277 1.00 1.54 C ATOM 512 CE3 TRP A 32 15.522 -1.708 7.037 1.00 3.40 C ATOM 513 CZ2 TRP A 32 17.289 -2.642 9.036 1.00 14.22 C ATOM 514 CZ3 TRP A 32 16.878 -1.832 6.799 1.00 31.23 C ATOM 515 CH2 TRP A 32 17.748 -2.297 7.794 1.00 3.23 C ATOM 0 H TRP A 32 11.910 -4.014 7.830 1.00 62.34 H new ATOM 0 HA TRP A 32 11.289 -2.312 9.911 1.00 5.20 H new ATOM 0 HB2 TRP A 32 12.493 -1.874 7.162 1.00 73.45 H new ATOM 0 HB3 TRP A 32 12.331 -0.556 8.306 1.00 73.45 H new ATOM 0 HD1 TRP A 32 13.073 -2.623 10.880 1.00 63.34 H new ATOM 0 HE1 TRP A 32 15.576 -3.134 11.287 1.00 23.32 H new ATOM 0 HE3 TRP A 32 14.859 -1.351 6.263 1.00 3.40 H new ATOM 0 HZ2 TRP A 32 17.962 -2.998 9.802 1.00 14.22 H new ATOM 0 HZ3 TRP A 32 17.273 -1.566 5.830 1.00 31.23 H new ATOM 0 HH2 TRP A 32 18.802 -2.385 7.576 1.00 3.23 H new ATOM 526 N LEU A 33 9.472 -1.744 7.223 1.00 3.32 N ATOM 527 CA LEU A 33 8.279 -1.060 6.737 1.00 50.21 C ATOM 528 C LEU A 33 7.123 -1.217 7.719 1.00 33.42 C ATOM 529 O LEU A 33 6.491 -0.237 8.112 1.00 60.53 O ATOM 530 CB LEU A 33 7.877 -1.606 5.366 1.00 32.51 C ATOM 531 CG LEU A 33 8.543 -0.946 4.158 1.00 34.04 C ATOM 532 CD1 LEU A 33 8.320 -1.778 2.905 1.00 41.01 C ATOM 533 CD2 LEU A 33 8.013 0.467 3.964 1.00 53.12 C ATOM 0 H LEU A 33 9.893 -2.386 6.552 1.00 3.32 H new ATOM 0 HA LEU A 33 8.511 0.001 6.645 1.00 50.21 H new ATOM 0 HB2 LEU A 33 8.102 -2.672 5.342 1.00 32.51 H new ATOM 0 HB3 LEU A 33 6.797 -1.506 5.260 1.00 32.51 H new ATOM 0 HG LEU A 33 9.615 -0.888 4.344 1.00 34.04 H new ATOM 0 HD11 LEU A 33 8.801 -1.293 2.056 1.00 41.01 H new ATOM 0 HD12 LEU A 33 8.748 -2.770 3.046 1.00 41.01 H new ATOM 0 HD13 LEU A 33 7.251 -1.868 2.714 1.00 41.01 H new ATOM 0 HD21 LEU A 33 8.498 0.922 3.100 1.00 53.12 H new ATOM 0 HD22 LEU A 33 6.936 0.432 3.799 1.00 53.12 H new ATOM 0 HD23 LEU A 33 8.225 1.060 4.853 1.00 53.12 H new ATOM 545 N ASN A 34 6.853 -2.458 8.114 1.00 50.43 N ATOM 546 CA ASN A 34 5.774 -2.744 9.052 1.00 54.52 C ATOM 547 C ASN A 34 6.099 -2.196 10.438 1.00 32.33 C ATOM 548 O ASN A 34 5.221 -1.698 11.142 1.00 55.03 O ATOM 549 CB ASN A 34 5.525 -4.251 9.132 1.00 63.23 C ATOM 550 CG ASN A 34 5.181 -4.853 7.783 1.00 52.41 C ATOM 551 OD1 ASN A 34 4.147 -4.534 7.195 1.00 62.44 O ATOM 552 ND2 ASN A 34 6.048 -5.727 7.287 1.00 71.55 N ATOM 0 H ASN A 34 7.367 -3.281 7.799 1.00 50.43 H new ATOM 0 HA ASN A 34 4.871 -2.253 8.689 1.00 54.52 H new ATOM 0 HB2 ASN A 34 6.413 -4.742 9.530 1.00 63.23 H new ATOM 0 HB3 ASN A 34 4.712 -4.445 9.832 1.00 63.23 H new ATOM 0 HD21 ASN A 34 5.870 -6.165 6.383 1.00 71.55 H new ATOM 0 HD22 ASN A 34 6.892 -5.961 7.810 1.00 71.55 H new ATOM 559 N ALA A 35 7.367 -2.292 10.824 1.00 30.40 N ATOM 560 CA ALA A 35 7.809 -1.805 12.125 1.00 50.14 C ATOM 561 C ALA A 35 8.364 -0.389 12.020 1.00 3.52 C ATOM 562 O ALA A 35 9.300 -0.024 12.731 1.00 64.45 O ATOM 563 CB ALA A 35 8.854 -2.742 12.712 1.00 1.31 C ATOM 0 H ALA A 35 8.107 -2.703 10.254 1.00 30.40 H new ATOM 0 HA ALA A 35 6.945 -1.781 12.790 1.00 50.14 H new ATOM 0 HB1 ALA A 35 9.175 -2.366 13.683 1.00 1.31 H new ATOM 0 HB2 ALA A 35 8.425 -3.737 12.832 1.00 1.31 H new ATOM 0 HB3 ALA A 35 9.712 -2.795 12.042 1.00 1.31 H new ATOM 569 N GLY A 36 7.781 0.407 11.129 1.00 71.14 N ATOM 570 CA GLY A 36 8.232 1.774 10.947 1.00 11.32 C ATOM 571 C GLY A 36 8.488 2.112 9.492 1.00 43.01 C ATOM 572 O GLY A 36 9.566 1.836 8.965 1.00 12.03 O ATOM 0 H GLY A 36 7.004 0.129 10.530 1.00 71.14 H new ATOM 0 HA2 GLY A 36 7.483 2.457 11.349 1.00 11.32 H new ATOM 0 HA3 GLY A 36 9.146 1.931 11.519 1.00 11.32 H new ATOM 576 N GLN A 37 7.495 2.709 8.841 1.00 43.13 N ATOM 577 CA GLN A 37 7.619 3.082 7.437 1.00 53.15 C ATOM 578 C GLN A 37 8.111 4.519 7.296 1.00 33.11 C ATOM 579 O GLN A 37 7.604 5.281 6.473 1.00 2.03 O ATOM 580 CB GLN A 37 6.275 2.919 6.724 1.00 62.33 C ATOM 581 CG GLN A 37 5.194 3.855 7.240 1.00 24.43 C ATOM 582 CD GLN A 37 3.797 3.309 7.022 1.00 51.30 C ATOM 583 OE1 GLN A 37 3.365 2.383 7.709 1.00 41.11 O ATOM 584 NE2 GLN A 37 3.081 3.882 6.062 1.00 51.53 N ATOM 0 H GLN A 37 6.597 2.945 9.263 1.00 43.13 H new ATOM 0 HA GLN A 37 8.351 2.420 6.975 1.00 53.15 H new ATOM 0 HB2 GLN A 37 6.416 3.093 5.657 1.00 62.33 H new ATOM 0 HB3 GLN A 37 5.936 1.889 6.837 1.00 62.33 H new ATOM 0 HG2 GLN A 37 5.349 4.031 8.304 1.00 24.43 H new ATOM 0 HG3 GLN A 37 5.285 4.820 6.741 1.00 24.43 H new ATOM 0 HE21 GLN A 37 3.479 4.647 5.517 1.00 51.53 H new ATOM 0 HE22 GLN A 37 2.133 3.557 5.870 1.00 51.53 H new ATOM 593 N ALA A 38 9.101 4.882 8.105 1.00 34.22 N ATOM 594 CA ALA A 38 9.662 6.227 8.070 1.00 60.52 C ATOM 595 C ALA A 38 10.928 6.271 7.220 1.00 34.24 C ATOM 596 O ALA A 38 11.878 5.527 7.466 1.00 13.14 O ATOM 597 CB ALA A 38 9.954 6.714 9.481 1.00 20.23 C ATOM 0 H ALA A 38 9.531 4.263 8.793 1.00 34.22 H new ATOM 0 HA ALA A 38 8.926 6.890 7.614 1.00 60.52 H new ATOM 0 HB1 ALA A 38 10.373 7.720 9.440 1.00 20.23 H new ATOM 0 HB2 ALA A 38 9.030 6.729 10.059 1.00 20.23 H new ATOM 0 HB3 ALA A 38 10.669 6.043 9.957 1.00 20.23 H new ATOM 603 N ILE A 39 10.933 7.146 6.221 1.00 61.25 N ATOM 604 CA ILE A 39 12.083 7.286 5.335 1.00 13.44 C ATOM 605 C ILE A 39 13.368 7.485 6.131 1.00 22.22 C ATOM 606 O ILE A 39 14.296 6.680 6.042 1.00 0.50 O ATOM 607 CB ILE A 39 11.905 8.469 4.365 1.00 10.34 C ATOM 608 CG1 ILE A 39 10.641 8.282 3.524 1.00 15.04 C ATOM 609 CG2 ILE A 39 13.127 8.609 3.470 1.00 22.52 C ATOM 610 CD1 ILE A 39 10.311 9.475 2.654 1.00 23.23 C ATOM 0 H ILE A 39 10.155 7.769 6.004 1.00 61.25 H new ATOM 0 HA ILE A 39 12.153 6.363 4.760 1.00 13.44 H new ATOM 0 HB ILE A 39 11.799 9.384 4.948 1.00 10.34 H new ATOM 0 HG12 ILE A 39 10.763 7.403 2.891 1.00 15.04 H new ATOM 0 HG13 ILE A 39 9.799 8.083 4.187 1.00 15.04 H new ATOM 0 HG21 ILE A 39 12.986 9.449 2.790 1.00 22.52 H new ATOM 0 HG22 ILE A 39 14.010 8.784 4.085 1.00 22.52 H new ATOM 0 HG23 ILE A 39 13.262 7.694 2.893 1.00 22.52 H new ATOM 0 HD11 ILE A 39 9.403 9.271 2.086 1.00 23.23 H new ATOM 0 HD12 ILE A 39 10.157 10.352 3.282 1.00 23.23 H new ATOM 0 HD13 ILE A 39 11.135 9.662 1.966 1.00 23.23 H new ATOM 622 N ASP A 40 13.415 8.560 6.910 1.00 21.33 N ATOM 623 CA ASP A 40 14.586 8.863 7.725 1.00 31.11 C ATOM 624 C ASP A 40 14.932 7.690 8.636 1.00 24.44 C ATOM 625 O ASP A 40 16.085 7.519 9.034 1.00 60.04 O ATOM 626 CB ASP A 40 14.340 10.119 8.562 1.00 51.31 C ATOM 627 CG ASP A 40 14.421 11.389 7.738 1.00 43.15 C ATOM 628 OD1 ASP A 40 15.267 11.448 6.821 1.00 23.31 O ATOM 629 OD2 ASP A 40 13.640 12.325 8.009 1.00 34.44 O ATOM 0 H ASP A 40 12.656 9.236 6.994 1.00 21.33 H new ATOM 0 HA ASP A 40 15.428 9.041 7.056 1.00 31.11 H new ATOM 0 HB2 ASP A 40 13.357 10.054 9.029 1.00 51.31 H new ATOM 0 HB3 ASP A 40 15.073 10.165 9.367 1.00 51.31 H new ATOM 634 N TRP A 41 13.928 6.885 8.964 1.00 12.43 N ATOM 635 CA TRP A 41 14.126 5.729 9.830 1.00 23.51 C ATOM 636 C TRP A 41 14.806 4.593 9.074 1.00 64.24 C ATOM 637 O TRP A 41 15.585 3.831 9.647 1.00 72.51 O ATOM 638 CB TRP A 41 12.787 5.252 10.394 1.00 32.01 C ATOM 639 CG TRP A 41 12.928 4.389 11.611 1.00 2.04 C ATOM 640 CD1 TRP A 41 13.098 4.810 12.899 1.00 2.34 C ATOM 641 CD2 TRP A 41 12.914 2.958 11.654 1.00 54.02 C ATOM 642 NE1 TRP A 41 13.190 3.727 13.740 1.00 43.21 N ATOM 643 CE2 TRP A 41 13.079 2.579 13.001 1.00 41.45 C ATOM 644 CE3 TRP A 41 12.775 1.960 10.686 1.00 72.21 C ATOM 645 CZ2 TRP A 41 13.110 1.246 13.400 1.00 4.11 C ATOM 646 CZ3 TRP A 41 12.806 0.637 11.084 1.00 24.10 C ATOM 647 CH2 TRP A 41 12.972 0.290 12.431 1.00 23.54 C ATOM 0 H TRP A 41 12.968 7.012 8.643 1.00 12.43 H new ATOM 0 HA TRP A 41 14.772 6.031 10.654 1.00 23.51 H new ATOM 0 HB2 TRP A 41 12.176 6.120 10.642 1.00 32.01 H new ATOM 0 HB3 TRP A 41 12.254 4.696 9.623 1.00 32.01 H new ATOM 0 HD1 TRP A 41 13.152 5.843 13.211 1.00 2.34 H new ATOM 0 HE1 TRP A 41 13.320 3.771 14.751 1.00 43.21 H new ATOM 0 HE3 TRP A 41 12.646 2.218 9.645 1.00 72.21 H new ATOM 0 HZ2 TRP A 41 13.238 0.976 14.438 1.00 4.11 H new ATOM 0 HZ3 TRP A 41 12.700 -0.143 10.344 1.00 24.10 H new ATOM 0 HH2 TRP A 41 12.991 -0.753 12.710 1.00 23.54 H new ATOM 658 N VAL A 42 14.508 4.485 7.783 1.00 50.13 N ATOM 659 CA VAL A 42 15.092 3.443 6.947 1.00 21.54 C ATOM 660 C VAL A 42 16.496 3.825 6.493 1.00 24.32 C ATOM 661 O VAL A 42 17.423 3.016 6.556 1.00 14.13 O ATOM 662 CB VAL A 42 14.222 3.163 5.708 1.00 52.23 C ATOM 663 CG1 VAL A 42 14.860 2.092 4.837 1.00 25.21 C ATOM 664 CG2 VAL A 42 12.817 2.755 6.125 1.00 52.44 C ATOM 0 H VAL A 42 13.865 5.107 7.293 1.00 50.13 H new ATOM 0 HA VAL A 42 15.143 2.541 7.556 1.00 21.54 H new ATOM 0 HB VAL A 42 14.151 4.079 5.122 1.00 52.23 H new ATOM 0 HG11 VAL A 42 14.230 1.908 3.967 1.00 25.21 H new ATOM 0 HG12 VAL A 42 15.844 2.428 4.509 1.00 25.21 H new ATOM 0 HG13 VAL A 42 14.964 1.171 5.411 1.00 25.21 H new ATOM 0 HG21 VAL A 42 12.216 2.561 5.237 1.00 52.44 H new ATOM 0 HG22 VAL A 42 12.866 1.853 6.734 1.00 52.44 H new ATOM 0 HG23 VAL A 42 12.361 3.559 6.703 1.00 52.44 H new ATOM 674 N VAL A 43 16.648 5.063 6.035 1.00 12.44 N ATOM 675 CA VAL A 43 17.940 5.554 5.572 1.00 50.52 C ATOM 676 C VAL A 43 18.954 5.593 6.710 1.00 53.22 C ATOM 677 O VAL A 43 20.110 5.206 6.539 1.00 75.13 O ATOM 678 CB VAL A 43 17.818 6.962 4.959 1.00 4.41 C ATOM 679 CG1 VAL A 43 19.153 7.412 4.385 1.00 41.04 C ATOM 680 CG2 VAL A 43 16.734 6.987 3.893 1.00 50.05 C ATOM 0 H VAL A 43 15.892 5.745 5.975 1.00 12.44 H new ATOM 0 HA VAL A 43 18.286 4.860 4.806 1.00 50.52 H new ATOM 0 HB VAL A 43 17.535 7.659 5.748 1.00 4.41 H new ATOM 0 HG11 VAL A 43 19.047 8.409 3.956 1.00 41.04 H new ATOM 0 HG12 VAL A 43 19.901 7.435 5.178 1.00 41.04 H new ATOM 0 HG13 VAL A 43 19.469 6.715 3.609 1.00 41.04 H new ATOM 0 HG21 VAL A 43 16.662 7.989 3.471 1.00 50.05 H new ATOM 0 HG22 VAL A 43 16.984 6.278 3.104 1.00 50.05 H new ATOM 0 HG23 VAL A 43 15.778 6.712 4.339 1.00 50.05 H new ATOM 690 N SER A 44 18.512 6.063 7.872 1.00 24.23 N ATOM 691 CA SER A 44 19.382 6.155 9.039 1.00 3.40 C ATOM 692 C SER A 44 19.903 4.778 9.439 1.00 11.32 C ATOM 693 O SER A 44 20.908 4.661 10.140 1.00 65.22 O ATOM 694 CB SER A 44 18.632 6.790 10.212 1.00 41.13 C ATOM 695 OG SER A 44 19.492 6.987 11.321 1.00 41.04 O ATOM 0 H SER A 44 17.557 6.386 8.031 1.00 24.23 H new ATOM 0 HA SER A 44 20.233 6.784 8.778 1.00 3.40 H new ATOM 0 HB2 SER A 44 18.208 7.745 9.902 1.00 41.13 H new ATOM 0 HB3 SER A 44 17.798 6.151 10.503 1.00 41.13 H new ATOM 0 HG SER A 44 18.989 7.395 12.056 1.00 41.04 H new ATOM 701 N LYS A 45 19.211 3.737 8.989 1.00 54.40 N ATOM 702 CA LYS A 45 19.601 2.367 9.297 1.00 22.13 C ATOM 703 C LYS A 45 20.471 1.786 8.187 1.00 2.21 C ATOM 704 O LYS A 45 20.588 0.568 8.051 1.00 61.03 O ATOM 705 CB LYS A 45 18.360 1.494 9.497 1.00 24.30 C ATOM 706 CG LYS A 45 17.798 1.550 10.907 1.00 73.43 C ATOM 707 CD LYS A 45 16.771 0.454 11.141 1.00 3.13 C ATOM 708 CE LYS A 45 16.731 0.032 12.602 1.00 74.10 C ATOM 709 NZ LYS A 45 16.501 1.191 13.508 1.00 12.02 N ATOM 0 H LYS A 45 18.376 3.817 8.409 1.00 54.40 H new ATOM 0 HA LYS A 45 20.181 2.380 10.220 1.00 22.13 H new ATOM 0 HB2 LYS A 45 17.588 1.808 8.794 1.00 24.30 H new ATOM 0 HB3 LYS A 45 18.610 0.461 9.255 1.00 24.30 H new ATOM 0 HG2 LYS A 45 18.610 1.449 11.628 1.00 73.43 H new ATOM 0 HG3 LYS A 45 17.338 2.523 11.078 1.00 73.43 H new ATOM 0 HD2 LYS A 45 15.786 0.806 10.835 1.00 3.13 H new ATOM 0 HD3 LYS A 45 17.009 -0.408 10.518 1.00 3.13 H new ATOM 0 HE2 LYS A 45 15.940 -0.704 12.746 1.00 74.10 H new ATOM 0 HE3 LYS A 45 17.670 -0.454 12.865 1.00 74.10 H new ATOM 0 HZ1 LYS A 45 16.581 0.880 14.497 1.00 12.02 H new ATOM 0 HZ2 LYS A 45 17.211 1.927 13.318 1.00 12.02 H new ATOM 0 HZ3 LYS A 45 15.550 1.577 13.343 1.00 12.02 H new ATOM 723 N ILE A 46 21.080 2.665 7.398 1.00 70.11 N ATOM 724 CA ILE A 46 21.941 2.238 6.302 1.00 40.31 C ATOM 725 C ILE A 46 23.400 2.584 6.582 1.00 34.23 C ATOM 726 O ILE A 46 24.310 1.859 6.180 1.00 74.22 O ATOM 727 CB ILE A 46 21.519 2.885 4.970 1.00 52.43 C ATOM 728 CG1 ILE A 46 20.067 2.531 4.643 1.00 71.53 C ATOM 729 CG2 ILE A 46 22.444 2.440 3.848 1.00 64.45 C ATOM 730 CD1 ILE A 46 19.571 3.143 3.352 1.00 41.14 C ATOM 0 H ILE A 46 20.993 3.676 7.497 1.00 70.11 H new ATOM 0 HA ILE A 46 21.835 1.156 6.221 1.00 40.31 H new ATOM 0 HB ILE A 46 21.596 3.968 5.069 1.00 52.43 H new ATOM 0 HG12 ILE A 46 19.971 1.447 4.582 1.00 71.53 H new ATOM 0 HG13 ILE A 46 19.428 2.862 5.461 1.00 71.53 H new ATOM 0 HG21 ILE A 46 22.132 2.906 2.913 1.00 64.45 H new ATOM 0 HG22 ILE A 46 23.466 2.739 4.079 1.00 64.45 H new ATOM 0 HG23 ILE A 46 22.397 1.356 3.746 1.00 64.45 H new ATOM 0 HD11 ILE A 46 18.535 2.849 3.185 1.00 41.14 H new ATOM 0 HD12 ILE A 46 19.634 4.229 3.416 1.00 41.14 H new ATOM 0 HD13 ILE A 46 20.186 2.792 2.523 1.00 41.14 H new ATOM 742 N LYS A 47 23.615 3.696 7.277 1.00 65.30 N ATOM 743 CA LYS A 47 24.963 4.138 7.615 1.00 21.53 C ATOM 744 C LYS A 47 25.583 3.232 8.675 1.00 72.22 C ATOM 745 O LYS A 47 26.805 3.118 8.768 1.00 35.04 O ATOM 746 CB LYS A 47 24.937 5.583 8.117 1.00 42.22 C ATOM 747 CG LYS A 47 23.946 5.818 9.243 1.00 1.55 C ATOM 748 CD LYS A 47 22.931 6.889 8.879 1.00 70.43 C ATOM 749 CE LYS A 47 22.338 7.540 10.119 1.00 75.34 C ATOM 750 NZ LYS A 47 23.343 8.361 10.849 1.00 34.40 N ATOM 0 H LYS A 47 22.873 4.308 7.617 1.00 65.30 H new ATOM 0 HA LYS A 47 25.573 4.084 6.713 1.00 21.53 H new ATOM 0 HB2 LYS A 47 25.935 5.858 8.459 1.00 42.22 H new ATOM 0 HB3 LYS A 47 24.692 6.243 7.285 1.00 42.22 H new ATOM 0 HG2 LYS A 47 23.427 4.887 9.473 1.00 1.55 H new ATOM 0 HG3 LYS A 47 24.482 6.115 10.144 1.00 1.55 H new ATOM 0 HD2 LYS A 47 23.409 7.649 8.261 1.00 70.43 H new ATOM 0 HD3 LYS A 47 22.133 6.448 8.282 1.00 70.43 H new ATOM 0 HE2 LYS A 47 21.495 8.169 9.831 1.00 75.34 H new ATOM 0 HE3 LYS A 47 21.948 6.769 10.783 1.00 75.34 H new ATOM 0 HZ1 LYS A 47 22.854 9.064 11.439 1.00 34.40 H new ATOM 0 HZ2 LYS A 47 23.922 7.744 11.453 1.00 34.40 H new ATOM 0 HZ3 LYS A 47 23.955 8.849 10.165 1.00 34.40 H new ATOM 764 N GLN A 48 24.732 2.589 9.469 1.00 41.54 N ATOM 765 CA GLN A 48 25.198 1.693 10.520 1.00 14.35 C ATOM 766 C GLN A 48 25.584 0.334 9.946 1.00 3.42 C ATOM 767 O GLN A 48 26.403 -0.383 10.522 1.00 70.12 O ATOM 768 CB GLN A 48 24.116 1.520 11.588 1.00 53.02 C ATOM 769 CG GLN A 48 22.778 1.062 11.029 1.00 11.44 C ATOM 770 CD GLN A 48 21.852 0.522 12.101 1.00 21.13 C ATOM 771 OE1 GLN A 48 21.635 -0.686 12.199 1.00 23.31 O ATOM 772 NE2 GLN A 48 21.300 1.416 12.913 1.00 2.11 N ATOM 0 H GLN A 48 23.717 2.672 9.404 1.00 41.54 H new ATOM 0 HA GLN A 48 26.082 2.138 10.976 1.00 14.35 H new ATOM 0 HB2 GLN A 48 24.459 0.796 12.327 1.00 53.02 H new ATOM 0 HB3 GLN A 48 23.978 2.467 12.110 1.00 53.02 H new ATOM 0 HG2 GLN A 48 22.294 1.898 10.524 1.00 11.44 H new ATOM 0 HG3 GLN A 48 22.947 0.290 10.278 1.00 11.44 H new ATOM 0 HE21 GLN A 48 21.508 2.408 12.796 1.00 2.11 H new ATOM 0 HE22 GLN A 48 20.669 1.111 13.654 1.00 2.11 H new ATOM 781 N ILE A 49 24.990 -0.013 8.809 1.00 4.35 N ATOM 782 CA ILE A 49 25.274 -1.285 8.158 1.00 73.23 C ATOM 783 C ILE A 49 26.486 -1.175 7.239 1.00 1.44 C ATOM 784 O ILE A 49 27.542 -1.747 7.515 1.00 54.23 O ATOM 785 CB ILE A 49 24.067 -1.779 7.338 1.00 33.24 C ATOM 786 CG1 ILE A 49 22.789 -1.708 8.178 1.00 65.21 C ATOM 787 CG2 ILE A 49 24.306 -3.199 6.847 1.00 53.13 C ATOM 788 CD1 ILE A 49 22.829 -2.580 9.414 1.00 43.24 C ATOM 0 H ILE A 49 24.310 0.569 8.320 1.00 4.35 H new ATOM 0 HA ILE A 49 25.485 -2.004 8.950 1.00 73.23 H new ATOM 0 HB ILE A 49 23.946 -1.131 6.470 1.00 33.24 H new ATOM 0 HG12 ILE A 49 22.618 -0.674 8.478 1.00 65.21 H new ATOM 0 HG13 ILE A 49 21.941 -2.005 7.561 1.00 65.21 H new ATOM 0 HG21 ILE A 49 23.445 -3.534 6.269 1.00 53.13 H new ATOM 0 HG22 ILE A 49 25.196 -3.222 6.218 1.00 53.13 H new ATOM 0 HG23 ILE A 49 24.449 -3.860 7.702 1.00 53.13 H new ATOM 0 HD11 ILE A 49 21.891 -2.480 9.961 1.00 43.24 H new ATOM 0 HD12 ILE A 49 22.969 -3.620 9.121 1.00 43.24 H new ATOM 0 HD13 ILE A 49 23.656 -2.269 10.052 1.00 43.24 H new ATOM 800 N LEU A 50 26.329 -0.434 6.148 1.00 51.20 N ATOM 801 CA LEU A 50 27.412 -0.246 5.189 1.00 54.55 C ATOM 802 C LEU A 50 28.265 0.963 5.561 1.00 61.51 C ATOM 803 O LEU A 50 29.477 0.848 5.739 1.00 40.13 O ATOM 804 CB LEU A 50 26.845 -0.069 3.779 1.00 61.04 C ATOM 805 CG LEU A 50 25.736 -1.041 3.374 1.00 21.03 C ATOM 806 CD1 LEU A 50 25.004 -0.533 2.142 1.00 15.54 C ATOM 807 CD2 LEU A 50 26.309 -2.428 3.122 1.00 74.20 C ATOM 0 H LEU A 50 25.463 0.046 5.905 1.00 51.20 H new ATOM 0 HA LEU A 50 28.043 -1.134 5.212 1.00 54.55 H new ATOM 0 HB2 LEU A 50 26.461 0.947 3.689 1.00 61.04 H new ATOM 0 HB3 LEU A 50 27.663 -0.165 3.065 1.00 61.04 H new ATOM 0 HG LEU A 50 25.021 -1.108 4.194 1.00 21.03 H new ATOM 0 HD11 LEU A 50 24.219 -1.238 1.869 1.00 15.54 H new ATOM 0 HD12 LEU A 50 24.560 0.439 2.357 1.00 15.54 H new ATOM 0 HD13 LEU A 50 25.708 -0.436 1.315 1.00 15.54 H new ATOM 0 HD21 LEU A 50 25.506 -3.107 2.835 1.00 74.20 H new ATOM 0 HD22 LEU A 50 27.045 -2.377 2.320 1.00 74.20 H new ATOM 0 HD23 LEU A 50 26.787 -2.795 4.030 1.00 74.20 H new ATOM 819 N GLY A 51 27.623 2.121 5.679 1.00 31.22 N ATOM 820 CA GLY A 51 28.338 3.333 6.032 1.00 44.11 C ATOM 821 C GLY A 51 28.477 4.286 4.861 1.00 1.03 C ATOM 822 O GLY A 51 29.349 4.111 4.010 1.00 70.54 O ATOM 0 H GLY A 51 26.620 2.241 5.536 1.00 31.22 H new ATOM 0 HA2 GLY A 51 27.815 3.836 6.846 1.00 44.11 H new ATOM 0 HA3 GLY A 51 29.329 3.072 6.403 1.00 44.11 H new ATOM 826 N ILE A 52 27.615 5.296 4.817 1.00 11.03 N ATOM 827 CA ILE A 52 27.645 6.279 3.742 1.00 42.32 C ATOM 828 C ILE A 52 27.561 7.699 4.292 1.00 24.13 C ATOM 829 O ILE A 52 26.926 7.943 5.319 1.00 65.53 O ATOM 830 CB ILE A 52 26.492 6.059 2.745 1.00 64.34 C ATOM 831 CG1 ILE A 52 26.684 6.938 1.507 1.00 0.12 C ATOM 832 CG2 ILE A 52 25.155 6.352 3.408 1.00 50.13 C ATOM 833 CD1 ILE A 52 26.351 6.236 0.209 1.00 14.15 C ATOM 0 H ILE A 52 26.887 5.455 5.514 1.00 11.03 H new ATOM 0 HA ILE A 52 28.594 6.148 3.223 1.00 42.32 H new ATOM 0 HB ILE A 52 26.498 5.015 2.430 1.00 64.34 H new ATOM 0 HG12 ILE A 52 26.058 7.826 1.601 1.00 0.12 H new ATOM 0 HG13 ILE A 52 27.719 7.279 1.471 1.00 0.12 H new ATOM 0 HG21 ILE A 52 24.350 6.192 2.690 1.00 50.13 H new ATOM 0 HG22 ILE A 52 25.018 5.687 4.261 1.00 50.13 H new ATOM 0 HG23 ILE A 52 25.137 7.387 3.749 1.00 50.13 H new ATOM 0 HD11 ILE A 52 26.510 6.919 -0.625 1.00 14.15 H new ATOM 0 HD12 ILE A 52 26.994 5.364 0.092 1.00 14.15 H new ATOM 0 HD13 ILE A 52 25.308 5.919 0.224 1.00 14.15 H new ATOM 845 N LYS A 53 28.205 8.634 3.602 1.00 3.12 N ATOM 846 CA LYS A 53 28.202 10.031 4.019 1.00 41.42 C ATOM 847 C LYS A 53 26.809 10.637 3.880 1.00 43.51 C ATOM 848 O LYS A 53 26.290 11.245 4.816 1.00 32.15 O ATOM 849 CB LYS A 53 29.205 10.835 3.188 1.00 52.15 C ATOM 850 CG LYS A 53 29.222 12.317 3.521 1.00 30.21 C ATOM 851 CD LYS A 53 30.164 13.083 2.608 1.00 42.01 C ATOM 852 CE LYS A 53 30.658 14.363 3.264 1.00 52.40 C ATOM 853 NZ LYS A 53 31.626 15.092 2.399 1.00 50.53 N ATOM 0 H LYS A 53 28.736 8.449 2.751 1.00 3.12 H new ATOM 0 HA LYS A 53 28.494 10.072 5.068 1.00 41.42 H new ATOM 0 HB2 LYS A 53 30.203 10.425 3.342 1.00 52.15 H new ATOM 0 HB3 LYS A 53 28.970 10.711 2.131 1.00 52.15 H new ATOM 0 HG2 LYS A 53 28.215 12.723 3.429 1.00 30.21 H new ATOM 0 HG3 LYS A 53 29.528 12.454 4.558 1.00 30.21 H new ATOM 0 HD2 LYS A 53 31.015 12.453 2.351 1.00 42.01 H new ATOM 0 HD3 LYS A 53 29.653 13.324 1.676 1.00 42.01 H new ATOM 0 HE2 LYS A 53 29.809 15.010 3.483 1.00 52.40 H new ATOM 0 HE3 LYS A 53 31.131 14.124 4.217 1.00 52.40 H new ATOM 0 HZ1 LYS A 53 31.939 15.958 2.882 1.00 50.53 H new ATOM 0 HZ2 LYS A 53 32.449 14.484 2.210 1.00 50.53 H new ATOM 0 HZ3 LYS A 53 31.167 15.343 1.500 1.00 50.53 H new TER 867 LYS A 53