USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 205 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 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.0514 K(o=-0.051,f=-0.78) USER MOD Single : A 8 LYS NZ :NH3+ -105:sc= 0.69 (180deg=-0.225) USER MOD Single : A 9 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.446) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.798) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.360 17.084 -10.125 1.00 20.23 N ATOM 2 CA SER A 1 -9.124 16.950 -10.887 1.00 22.42 C ATOM 3 C SER A 1 -9.073 15.606 -11.607 1.00 24.24 C ATOM 4 O SER A 1 -9.428 14.574 -11.040 1.00 74.52 O ATOM 5 CB SER A 1 -7.912 17.095 -9.965 1.00 70.21 C ATOM 6 OG SER A 1 -7.134 18.224 -10.318 1.00 65.24 O ATOM 0 H1 SER A 1 -10.373 18.006 -9.644 1.00 20.23 H new ATOM 0 H2 SER A 1 -11.174 17.018 -10.769 1.00 20.23 H new ATOM 0 H3 SER A 1 -10.416 16.323 -9.418 1.00 20.23 H new ATOM 0 HA SER A 1 -9.099 17.744 -11.634 1.00 22.42 H new ATOM 0 HB2 SER A 1 -8.247 17.189 -8.932 1.00 70.21 H new ATOM 0 HB3 SER A 1 -7.299 16.195 -10.021 1.00 70.21 H new ATOM 0 HG SER A 1 -6.367 18.295 -9.712 1.00 65.24 H new ATOM 11 N GLN A 2 -8.627 15.629 -12.859 1.00 45.43 N ATOM 12 CA GLN A 2 -8.530 14.412 -13.657 1.00 14.41 C ATOM 13 C GLN A 2 -7.700 13.355 -12.937 1.00 33.32 C ATOM 14 O GLN A 2 -8.235 12.361 -12.446 1.00 3.31 O ATOM 15 CB GLN A 2 -7.912 14.721 -15.022 1.00 32.44 C ATOM 16 CG GLN A 2 -8.928 14.771 -16.152 1.00 25.24 C ATOM 17 CD GLN A 2 -9.608 16.121 -16.265 1.00 25.03 C ATOM 18 OE1 GLN A 2 -8.951 17.148 -16.442 1.00 53.12 O ATOM 19 NE2 GLN A 2 -10.932 16.127 -16.164 1.00 63.52 N ATOM 0 H GLN A 2 -8.327 16.476 -13.342 1.00 45.43 H new ATOM 0 HA GLN A 2 -9.537 14.020 -13.802 1.00 14.41 H new ATOM 0 HB2 GLN A 2 -7.393 15.678 -14.968 1.00 32.44 H new ATOM 0 HB3 GLN A 2 -7.162 13.964 -15.252 1.00 32.44 H new ATOM 0 HG2 GLN A 2 -8.430 14.539 -17.094 1.00 25.24 H new ATOM 0 HG3 GLN A 2 -9.682 14.001 -15.992 1.00 25.24 H new ATOM 0 HE21 GLN A 2 -11.436 15.253 -16.018 1.00 63.52 H new ATOM 0 HE22 GLN A 2 -11.445 17.006 -16.233 1.00 63.52 H new ATOM 26 N GLU A 3 -6.391 13.575 -12.880 1.00 52.11 N ATOM 27 CA GLU A 3 -5.487 12.639 -12.221 1.00 73.52 C ATOM 28 C GLU A 3 -5.116 13.132 -10.825 1.00 72.20 C ATOM 29 O GLU A 3 -5.328 14.298 -10.492 1.00 62.44 O ATOM 30 CB GLU A 3 -4.222 12.442 -13.057 1.00 14.41 C ATOM 31 CG GLU A 3 -3.276 13.631 -13.021 1.00 32.41 C ATOM 32 CD GLU A 3 -1.973 13.319 -12.314 1.00 30.12 C ATOM 33 OE1 GLU A 3 -1.884 13.572 -11.094 1.00 21.14 O ATOM 34 OE2 GLU A 3 -1.040 12.822 -12.980 1.00 51.31 O ATOM 0 H GLU A 3 -5.932 14.393 -13.282 1.00 52.11 H new ATOM 0 HA GLU A 3 -6.002 11.683 -12.125 1.00 73.52 H new ATOM 0 HB2 GLU A 3 -3.694 11.558 -12.699 1.00 14.41 H new ATOM 0 HB3 GLU A 3 -4.507 12.246 -14.091 1.00 14.41 H new ATOM 0 HG2 GLU A 3 -3.064 13.952 -14.041 1.00 32.41 H new ATOM 0 HG3 GLU A 3 -3.766 14.465 -12.519 1.00 32.41 H new ATOM 39 N GLN A 4 -4.562 12.236 -10.015 1.00 63.22 N ATOM 40 CA GLN A 4 -4.162 12.580 -8.655 1.00 12.35 C ATOM 41 C GLN A 4 -2.824 11.938 -8.302 1.00 24.53 C ATOM 42 O GLN A 4 -2.516 10.835 -8.753 1.00 34.34 O ATOM 43 CB GLN A 4 -5.234 12.135 -7.659 1.00 41.33 C ATOM 44 CG GLN A 4 -6.638 12.569 -8.041 1.00 54.21 C ATOM 45 CD GLN A 4 -7.524 12.813 -6.835 1.00 41.23 C ATOM 46 OE1 GLN A 4 -7.435 13.855 -6.186 1.00 73.35 O ATOM 47 NE2 GLN A 4 -8.384 11.849 -6.527 1.00 23.12 N ATOM 0 H GLN A 4 -4.380 11.267 -10.276 1.00 63.22 H new ATOM 0 HA GLN A 4 -4.050 13.663 -8.598 1.00 12.35 H new ATOM 0 HB2 GLN A 4 -5.209 11.049 -7.573 1.00 41.33 H new ATOM 0 HB3 GLN A 4 -4.993 12.538 -6.675 1.00 41.33 H new ATOM 0 HG2 GLN A 4 -6.583 13.480 -8.636 1.00 54.21 H new ATOM 0 HG3 GLN A 4 -7.092 11.804 -8.671 1.00 54.21 H new ATOM 0 HE21 GLN A 4 -8.424 11.001 -7.093 1.00 23.12 H new ATOM 0 HE22 GLN A 4 -9.005 11.956 -5.725 1.00 23.12 H new ATOM 54 N ARG A 5 -2.034 12.635 -7.493 1.00 24.24 N ATOM 55 CA ARG A 5 -0.728 12.135 -7.082 1.00 44.30 C ATOM 56 C ARG A 5 -0.858 10.779 -6.394 1.00 24.55 C ATOM 57 O ARG A 5 -1.638 10.621 -5.456 1.00 51.44 O ATOM 58 CB ARG A 5 -0.049 13.132 -6.141 1.00 4.14 C ATOM 59 CG ARG A 5 1.347 12.711 -5.711 1.00 0.41 C ATOM 60 CD ARG A 5 2.171 13.901 -5.247 1.00 24.14 C ATOM 61 NE ARG A 5 2.427 13.864 -3.810 1.00 54.10 N ATOM 62 CZ ARG A 5 2.781 14.928 -3.098 1.00 32.21 C ATOM 63 NH1 ARG A 5 2.921 16.107 -3.688 1.00 2.14 N ATOM 64 NH2 ARG A 5 2.998 14.813 -1.795 1.00 62.22 N ATOM 0 H ARG A 5 -2.276 13.548 -7.109 1.00 24.24 H new ATOM 0 HA ARG A 5 -0.116 12.014 -7.975 1.00 44.30 H new ATOM 0 HB2 ARG A 5 0.009 14.102 -6.634 1.00 4.14 H new ATOM 0 HB3 ARG A 5 -0.669 13.262 -5.254 1.00 4.14 H new ATOM 0 HG2 ARG A 5 1.276 11.981 -4.905 1.00 0.41 H new ATOM 0 HG3 ARG A 5 1.852 12.220 -6.543 1.00 0.41 H new ATOM 0 HD2 ARG A 5 3.120 13.916 -5.784 1.00 24.14 H new ATOM 0 HD3 ARG A 5 1.648 14.824 -5.498 1.00 24.14 H new ATOM 0 HE ARG A 5 2.329 12.972 -3.326 1.00 54.10 H new ATOM 0 HH11 ARG A 5 2.757 16.198 -4.691 1.00 2.14 H new ATOM 0 HH12 ARG A 5 3.193 16.923 -3.139 1.00 2.14 H new ATOM 0 HH21 ARG A 5 2.893 13.907 -1.339 1.00 62.22 H new ATOM 0 HH22 ARG A 5 3.270 15.631 -1.249 1.00 62.22 H new ATOM 75 N GLN A 6 -0.090 9.804 -6.870 1.00 43.01 N ATOM 76 CA GLN A 6 -0.121 8.462 -6.302 1.00 41.20 C ATOM 77 C GLN A 6 0.351 8.473 -4.852 1.00 73.21 C ATOM 78 O GLN A 6 0.936 9.451 -4.386 1.00 30.24 O ATOM 79 CB GLN A 6 0.752 7.514 -7.128 1.00 64.51 C ATOM 80 CG GLN A 6 -0.041 6.611 -8.058 1.00 0.03 C ATOM 81 CD GLN A 6 -0.381 7.282 -9.374 1.00 2.42 C ATOM 82 OE1 GLN A 6 0.442 7.988 -9.955 1.00 32.32 O ATOM 83 NE2 GLN A 6 -1.601 7.064 -9.851 1.00 71.04 N ATOM 0 H GLN A 6 0.561 9.919 -7.647 1.00 43.01 H new ATOM 0 HA GLN A 6 -1.152 8.109 -6.327 1.00 41.20 H new ATOM 0 HB2 GLN A 6 1.455 8.102 -7.718 1.00 64.51 H new ATOM 0 HB3 GLN A 6 1.343 6.896 -6.452 1.00 64.51 H new ATOM 0 HG2 GLN A 6 0.532 5.705 -8.254 1.00 0.03 H new ATOM 0 HG3 GLN A 6 -0.962 6.305 -7.562 1.00 0.03 H new ATOM 0 HE21 GLN A 6 -2.252 6.471 -9.336 1.00 71.04 H new ATOM 0 HE22 GLN A 6 -1.887 7.489 -10.733 1.00 71.04 H new ATOM 90 N CYS A 7 0.092 7.379 -4.143 1.00 60.03 N ATOM 91 CA CYS A 7 0.489 7.262 -2.745 1.00 74.31 C ATOM 92 C CYS A 7 1.870 6.624 -2.622 1.00 41.34 C ATOM 93 O CYS A 7 2.766 7.174 -1.981 1.00 64.53 O ATOM 94 CB CYS A 7 -0.537 6.435 -1.968 1.00 2.41 C ATOM 95 SG CYS A 7 -2.267 6.775 -2.427 1.00 33.30 S ATOM 0 H CYS A 7 -0.391 6.561 -4.514 1.00 60.03 H new ATOM 0 HA CYS A 7 0.533 8.266 -2.322 1.00 74.31 H new ATOM 0 HB2 CYS A 7 -0.331 5.377 -2.128 1.00 2.41 H new ATOM 0 HB3 CYS A 7 -0.411 6.627 -0.902 1.00 2.41 H new ATOM 99 N LYS A 8 2.035 5.462 -3.243 1.00 50.45 N ATOM 100 CA LYS A 8 3.307 4.748 -3.206 1.00 14.15 C ATOM 101 C LYS A 8 3.393 3.733 -4.342 1.00 2.44 C ATOM 102 O LYS A 8 2.779 2.667 -4.284 1.00 25.42 O ATOM 103 CB LYS A 8 3.479 4.039 -1.861 1.00 45.25 C ATOM 104 CG LYS A 8 4.102 4.916 -0.788 1.00 75.25 C ATOM 105 CD LYS A 8 3.071 5.366 0.234 1.00 73.21 C ATOM 106 CE LYS A 8 3.332 4.747 1.598 1.00 61.44 C ATOM 107 NZ LYS A 8 4.348 5.514 2.370 1.00 64.31 N ATOM 0 H LYS A 8 1.304 4.994 -3.778 1.00 50.45 H new ATOM 0 HA LYS A 8 4.108 5.477 -3.330 1.00 14.15 H new ATOM 0 HB2 LYS A 8 2.505 3.692 -1.515 1.00 45.25 H new ATOM 0 HB3 LYS A 8 4.101 3.155 -2.002 1.00 45.25 H new ATOM 0 HG2 LYS A 8 4.898 4.367 -0.285 1.00 75.25 H new ATOM 0 HG3 LYS A 8 4.561 5.789 -1.252 1.00 75.25 H new ATOM 0 HD2 LYS A 8 3.089 6.453 0.317 1.00 73.21 H new ATOM 0 HD3 LYS A 8 2.074 5.089 -0.108 1.00 73.21 H new ATOM 0 HE2 LYS A 8 2.401 4.707 2.163 1.00 61.44 H new ATOM 0 HE3 LYS A 8 3.672 3.719 1.471 1.00 61.44 H new ATOM 0 HZ1 LYS A 8 5.249 4.995 2.369 1.00 64.31 H new ATOM 0 HZ2 LYS A 8 4.485 6.447 1.932 1.00 64.31 H new ATOM 0 HZ3 LYS A 8 4.020 5.636 3.349 1.00 64.31 H new ATOM 117 N LYS A 9 4.160 4.070 -5.373 1.00 61.20 N ATOM 118 CA LYS A 9 4.330 3.188 -6.521 1.00 45.51 C ATOM 119 C LYS A 9 5.376 2.115 -6.233 1.00 53.34 C ATOM 120 O LYS A 9 5.835 1.972 -5.099 1.00 41.01 O ATOM 121 CB LYS A 9 4.739 3.995 -7.755 1.00 23.31 C ATOM 122 CG LYS A 9 3.789 5.137 -8.077 1.00 74.25 C ATOM 123 CD LYS A 9 4.540 6.436 -8.314 1.00 43.40 C ATOM 124 CE LYS A 9 4.382 7.394 -7.143 1.00 12.14 C ATOM 125 NZ LYS A 9 5.540 7.326 -6.210 1.00 0.04 N ATOM 0 H LYS A 9 4.674 4.949 -5.437 1.00 61.20 H new ATOM 0 HA LYS A 9 3.376 2.698 -6.715 1.00 45.51 H new ATOM 0 HB2 LYS A 9 5.740 4.399 -7.600 1.00 23.31 H new ATOM 0 HB3 LYS A 9 4.795 3.326 -8.614 1.00 23.31 H new ATOM 0 HG2 LYS A 9 3.204 4.887 -8.962 1.00 74.25 H new ATOM 0 HG3 LYS A 9 3.084 5.268 -7.256 1.00 74.25 H new ATOM 0 HD2 LYS A 9 5.597 6.223 -8.471 1.00 43.40 H new ATOM 0 HD3 LYS A 9 4.172 6.909 -9.224 1.00 43.40 H new ATOM 0 HE2 LYS A 9 4.278 8.412 -7.518 1.00 12.14 H new ATOM 0 HE3 LYS A 9 3.466 7.158 -6.602 1.00 12.14 H new ATOM 0 HZ1 LYS A 9 5.241 7.633 -5.262 1.00 0.04 H new ATOM 0 HZ2 LYS A 9 5.891 6.348 -6.163 1.00 0.04 H new ATOM 0 HZ3 LYS A 9 6.299 7.949 -6.552 1.00 0.04 H new ATOM 135 N ILE A 10 5.750 1.367 -7.266 1.00 40.30 N ATOM 136 CA ILE A 10 6.744 0.310 -7.122 1.00 72.53 C ATOM 137 C ILE A 10 8.098 0.881 -6.715 1.00 23.42 C ATOM 138 O ILE A 10 8.668 1.717 -7.415 1.00 32.55 O ATOM 139 CB ILE A 10 6.909 -0.488 -8.430 1.00 11.12 C ATOM 140 CG1 ILE A 10 5.555 -1.025 -8.899 1.00 12.50 C ATOM 141 CG2 ILE A 10 7.898 -1.627 -8.233 1.00 24.13 C ATOM 142 CD1 ILE A 10 4.852 -1.878 -7.866 1.00 50.10 C ATOM 0 H ILE A 10 5.380 1.473 -8.211 1.00 40.30 H new ATOM 0 HA ILE A 10 6.384 -0.358 -6.340 1.00 72.53 H new ATOM 0 HB ILE A 10 7.300 0.178 -9.199 1.00 11.12 H new ATOM 0 HG12 ILE A 10 4.912 -0.185 -9.163 1.00 12.50 H new ATOM 0 HG13 ILE A 10 5.701 -1.613 -9.805 1.00 12.50 H new ATOM 0 HG21 ILE A 10 8.004 -2.182 -9.165 1.00 24.13 H new ATOM 0 HG22 ILE A 10 8.866 -1.221 -7.940 1.00 24.13 H new ATOM 0 HG23 ILE A 10 7.533 -2.295 -7.453 1.00 24.13 H new ATOM 0 HD11 ILE A 10 3.899 -2.224 -8.267 1.00 50.10 H new ATOM 0 HD12 ILE A 10 5.475 -2.737 -7.619 1.00 50.10 H new ATOM 0 HD13 ILE A 10 4.674 -1.288 -6.967 1.00 50.10 H new ATOM 153 N GLY A 11 8.608 0.422 -5.576 1.00 3.24 N ATOM 154 CA GLY A 11 9.893 0.896 -5.094 1.00 50.44 C ATOM 155 C GLY A 11 9.756 1.864 -3.936 1.00 32.53 C ATOM 156 O GLY A 11 10.750 2.398 -3.445 1.00 22.21 O ATOM 0 H GLY A 11 8.155 -0.269 -4.979 1.00 3.24 H new ATOM 0 HA2 GLY A 11 10.497 0.044 -4.782 1.00 50.44 H new ATOM 0 HA3 GLY A 11 10.426 1.384 -5.910 1.00 50.44 H new ATOM 160 N GLU A 12 8.521 2.093 -3.501 1.00 11.04 N ATOM 161 CA GLU A 12 8.258 3.007 -2.395 1.00 72.23 C ATOM 162 C GLU A 12 8.279 2.266 -1.061 1.00 10.32 C ATOM 163 O GLU A 12 8.428 1.043 -1.019 1.00 45.23 O ATOM 164 CB GLU A 12 6.908 3.699 -2.585 1.00 14.51 C ATOM 165 CG GLU A 12 6.868 4.636 -3.780 1.00 22.04 C ATOM 166 CD GLU A 12 8.164 5.403 -3.964 1.00 61.32 C ATOM 167 OE1 GLU A 12 9.039 4.914 -4.708 1.00 30.33 O ATOM 168 OE2 GLU A 12 8.302 6.489 -3.364 1.00 54.22 O ATOM 0 H GLU A 12 7.687 1.659 -3.897 1.00 11.04 H new ATOM 0 HA GLU A 12 9.045 3.761 -2.385 1.00 72.23 H new ATOM 0 HB2 GLU A 12 6.134 2.941 -2.702 1.00 14.51 H new ATOM 0 HB3 GLU A 12 6.668 4.263 -1.684 1.00 14.51 H new ATOM 0 HG2 GLU A 12 6.660 4.060 -4.682 1.00 22.04 H new ATOM 0 HG3 GLU A 12 6.047 5.342 -3.656 1.00 22.04 H new ATOM 173 N HIS A 13 8.130 3.014 0.028 1.00 34.15 N ATOM 174 CA HIS A 13 8.132 2.429 1.364 1.00 13.40 C ATOM 175 C HIS A 13 6.716 2.372 1.933 1.00 24.02 C ATOM 176 O HIS A 13 5.919 3.289 1.734 1.00 41.11 O ATOM 177 CB HIS A 13 9.037 3.235 2.295 1.00 24.43 C ATOM 178 CG HIS A 13 9.306 2.557 3.604 1.00 65.33 C ATOM 179 ND1 HIS A 13 8.518 2.738 4.721 1.00 41.43 N ATOM 180 CD2 HIS A 13 10.281 1.693 3.969 1.00 32.34 C ATOM 181 CE1 HIS A 13 8.999 2.016 5.717 1.00 21.35 C ATOM 182 NE2 HIS A 13 10.069 1.372 5.286 1.00 4.21 N ATOM 0 H HIS A 13 8.006 4.026 0.011 1.00 34.15 H new ATOM 0 HA HIS A 13 8.516 1.412 1.289 1.00 13.40 H new ATOM 0 HB2 HIS A 13 9.985 3.425 1.792 1.00 24.43 H new ATOM 0 HB3 HIS A 13 8.577 4.205 2.485 1.00 24.43 H new ATOM 0 HD2 HIS A 13 11.078 1.324 3.340 1.00 32.34 H new ATOM 0 HE1 HIS A 13 8.588 1.961 6.714 1.00 21.35 H new ATOM 0 HE2 HIS A 13 10.644 0.739 5.842 1.00 4.21 H new ATOM 189 N CYS A 14 6.413 1.290 2.643 1.00 31.41 N ATOM 190 CA CYS A 14 5.095 1.112 3.240 1.00 10.24 C ATOM 191 C CYS A 14 5.106 -0.031 4.251 1.00 50.24 C ATOM 192 O CYS A 14 5.818 -1.020 4.078 1.00 1.54 O ATOM 193 CB CYS A 14 4.053 0.838 2.155 1.00 4.14 C ATOM 194 SG CYS A 14 4.557 -0.423 0.941 1.00 62.05 S ATOM 0 H CYS A 14 7.063 0.523 2.819 1.00 31.41 H new ATOM 0 HA CYS A 14 4.833 2.033 3.761 1.00 10.24 H new ATOM 0 HB2 CYS A 14 3.125 0.519 2.630 1.00 4.14 H new ATOM 0 HB3 CYS A 14 3.839 1.768 1.629 1.00 4.14 H new ATOM 198 N TYR A 15 4.312 0.113 5.306 1.00 63.22 N ATOM 199 CA TYR A 15 4.231 -0.906 6.346 1.00 52.43 C ATOM 200 C TYR A 15 3.172 -1.951 6.005 1.00 65.00 C ATOM 201 O TYR A 15 3.314 -3.127 6.336 1.00 64.51 O ATOM 202 CB TYR A 15 3.911 -0.263 7.696 1.00 54.43 C ATOM 203 CG TYR A 15 4.988 0.677 8.188 1.00 71.20 C ATOM 204 CD1 TYR A 15 6.087 0.198 8.891 1.00 24.45 C ATOM 205 CD2 TYR A 15 4.907 2.044 7.952 1.00 52.01 C ATOM 206 CE1 TYR A 15 7.073 1.054 9.344 1.00 55.55 C ATOM 207 CE2 TYR A 15 5.889 2.906 8.399 1.00 75.04 C ATOM 208 CZ TYR A 15 6.970 2.407 9.095 1.00 34.32 C ATOM 209 OH TYR A 15 7.949 3.262 9.543 1.00 52.33 O ATOM 0 H TYR A 15 3.715 0.925 5.464 1.00 63.22 H new ATOM 0 HA TYR A 15 5.199 -1.403 6.407 1.00 52.43 H new ATOM 0 HB2 TYR A 15 2.972 0.284 7.615 1.00 54.43 H new ATOM 0 HB3 TYR A 15 3.760 -1.048 8.437 1.00 54.43 H new ATOM 0 HD1 TYR A 15 6.172 -0.861 9.087 1.00 24.45 H new ATOM 0 HD2 TYR A 15 4.061 2.439 7.409 1.00 52.01 H new ATOM 0 HE1 TYR A 15 7.920 0.666 9.890 1.00 55.55 H new ATOM 0 HE2 TYR A 15 5.811 3.965 8.205 1.00 75.04 H new ATOM 0 HH TYR A 15 7.725 4.180 9.284 1.00 52.33 H new ATOM 218 N VAL A 16 2.109 -1.510 5.338 1.00 5.31 N ATOM 219 CA VAL A 16 1.025 -2.405 4.949 1.00 50.32 C ATOM 220 C VAL A 16 0.609 -2.168 3.502 1.00 14.41 C ATOM 221 O VAL A 16 1.115 -1.260 2.841 1.00 52.01 O ATOM 222 CB VAL A 16 -0.203 -2.229 5.861 1.00 40.21 C ATOM 223 CG1 VAL A 16 0.055 -2.840 7.230 1.00 22.04 C ATOM 224 CG2 VAL A 16 -0.566 -0.757 5.985 1.00 52.25 C ATOM 0 H VAL A 16 1.976 -0.539 5.056 1.00 5.31 H new ATOM 0 HA VAL A 16 1.402 -3.422 5.053 1.00 50.32 H new ATOM 0 HB VAL A 16 -1.047 -2.752 5.410 1.00 40.21 H new ATOM 0 HG11 VAL A 16 -0.824 -2.706 7.860 1.00 22.04 H new ATOM 0 HG12 VAL A 16 0.263 -3.904 7.120 1.00 22.04 H new ATOM 0 HG13 VAL A 16 0.911 -2.349 7.692 1.00 22.04 H new ATOM 0 HG21 VAL A 16 -1.436 -0.650 6.633 1.00 52.25 H new ATOM 0 HG22 VAL A 16 0.274 -0.210 6.412 1.00 52.25 H new ATOM 0 HG23 VAL A 16 -0.797 -0.355 4.999 1.00 52.25 H new ATOM 234 N ALA A 17 -0.317 -2.988 3.016 1.00 54.22 N ATOM 235 CA ALA A 17 -0.803 -2.866 1.648 1.00 71.23 C ATOM 236 C ALA A 17 -1.625 -1.593 1.469 1.00 11.43 C ATOM 237 O ALA A 17 -1.484 -0.888 0.470 1.00 13.55 O ATOM 238 CB ALA A 17 -1.629 -4.086 1.270 1.00 54.11 C ATOM 0 H ALA A 17 -0.746 -3.744 3.550 1.00 54.22 H new ATOM 0 HA ALA A 17 0.061 -2.806 0.986 1.00 71.23 H new ATOM 0 HB1 ALA A 17 -1.985 -3.981 0.245 1.00 54.11 H new ATOM 0 HB2 ALA A 17 -1.013 -4.982 1.350 1.00 54.11 H new ATOM 0 HB3 ALA A 17 -2.482 -4.171 1.944 1.00 54.11 H new ATOM 244 N ASP A 18 -2.481 -1.306 2.443 1.00 11.15 N ATOM 245 CA ASP A 18 -3.324 -0.117 2.393 1.00 13.30 C ATOM 246 C ASP A 18 -2.482 1.140 2.200 1.00 11.20 C ATOM 247 O ASP A 18 -2.911 2.090 1.547 1.00 54.21 O ATOM 248 CB ASP A 18 -4.152 0.000 3.674 1.00 72.23 C ATOM 249 CG ASP A 18 -5.157 -1.125 3.819 1.00 15.13 C ATOM 250 OD1 ASP A 18 -6.364 -0.872 3.621 1.00 43.33 O ATOM 251 OD2 ASP A 18 -4.738 -2.258 4.131 1.00 72.10 O ATOM 0 H ASP A 18 -2.610 -1.880 3.276 1.00 11.15 H new ATOM 0 HA ASP A 18 -3.997 -0.215 1.541 1.00 13.30 H new ATOM 0 HB2 ASP A 18 -3.484 0.000 4.536 1.00 72.23 H new ATOM 0 HB3 ASP A 18 -4.677 0.955 3.678 1.00 72.23 H new ATOM 255 N GLU A 19 -1.282 1.136 2.772 1.00 44.21 N ATOM 256 CA GLU A 19 -0.381 2.277 2.662 1.00 70.24 C ATOM 257 C GLU A 19 -0.005 2.537 1.207 1.00 54.23 C ATOM 258 O GLU A 19 0.223 3.680 0.807 1.00 72.44 O ATOM 259 CB GLU A 19 0.883 2.038 3.492 1.00 3.45 C ATOM 260 CG GLU A 19 1.080 3.052 4.607 1.00 23.14 C ATOM 261 CD GLU A 19 -0.154 3.213 5.474 1.00 31.23 C ATOM 262 OE1 GLU A 19 -0.576 4.368 5.696 1.00 34.31 O ATOM 263 OE2 GLU A 19 -0.698 2.186 5.930 1.00 21.53 O ATOM 0 H GLU A 19 -0.912 0.356 3.316 1.00 44.21 H new ATOM 0 HA GLU A 19 -0.900 3.155 3.046 1.00 70.24 H new ATOM 0 HB2 GLU A 19 0.840 1.039 3.925 1.00 3.45 H new ATOM 0 HB3 GLU A 19 1.751 2.063 2.833 1.00 3.45 H new ATOM 0 HG2 GLU A 19 1.919 2.743 5.230 1.00 23.14 H new ATOM 0 HG3 GLU A 19 1.343 4.017 4.173 1.00 23.14 H new ATOM 268 N CYS A 20 0.058 1.469 0.419 1.00 12.33 N ATOM 269 CA CYS A 20 0.407 1.579 -0.992 1.00 35.21 C ATOM 270 C CYS A 20 -0.843 1.759 -1.849 1.00 41.05 C ATOM 271 O CYS A 20 -1.790 0.978 -1.758 1.00 32.13 O ATOM 272 CB CYS A 20 1.175 0.337 -1.448 1.00 53.00 C ATOM 273 SG CYS A 20 2.881 0.676 -1.992 1.00 4.22 S ATOM 0 H CYS A 20 -0.128 0.517 0.734 1.00 12.33 H new ATOM 0 HA CYS A 20 1.042 2.457 -1.116 1.00 35.21 H new ATOM 0 HB2 CYS A 20 1.202 -0.381 -0.629 1.00 53.00 H new ATOM 0 HB3 CYS A 20 0.631 -0.134 -2.267 1.00 53.00 H new ATOM 277 N CYS A 21 -0.838 2.795 -2.681 1.00 12.50 N ATOM 278 CA CYS A 21 -1.970 3.081 -3.554 1.00 4.44 C ATOM 279 C CYS A 21 -2.241 1.909 -4.495 1.00 32.03 C ATOM 280 O CYS A 21 -3.378 1.681 -4.908 1.00 13.43 O ATOM 281 CB CYS A 21 -1.708 4.350 -4.366 1.00 22.10 C ATOM 282 SG CYS A 21 -2.856 5.718 -4.001 1.00 13.22 S ATOM 0 H CYS A 21 -0.062 3.451 -2.769 1.00 12.50 H new ATOM 0 HA CYS A 21 -2.849 3.234 -2.928 1.00 4.44 H new ATOM 0 HB2 CYS A 21 -0.688 4.685 -4.177 1.00 22.10 H new ATOM 0 HB3 CYS A 21 -1.773 4.109 -5.427 1.00 22.10 H new ATOM 286 N SER A 22 -1.187 1.171 -4.829 1.00 34.32 N ATOM 287 CA SER A 22 -1.309 0.025 -5.723 1.00 4.02 C ATOM 288 C SER A 22 -1.746 -1.218 -4.956 1.00 60.11 C ATOM 289 O SER A 22 -2.195 -2.202 -5.546 1.00 73.30 O ATOM 290 CB SER A 22 0.022 -0.239 -6.431 1.00 64.11 C ATOM 291 OG SER A 22 -0.136 -1.185 -7.475 1.00 30.25 O ATOM 0 H SER A 22 -0.240 1.346 -4.494 1.00 34.32 H new ATOM 0 HA SER A 22 -2.070 0.256 -6.469 1.00 4.02 H new ATOM 0 HB2 SER A 22 0.413 0.694 -6.837 1.00 64.11 H new ATOM 0 HB3 SER A 22 0.754 -0.605 -5.711 1.00 64.11 H new ATOM 0 HG SER A 22 0.727 -1.336 -7.913 1.00 30.25 H new ATOM 296 N LYS A 23 -1.611 -1.169 -3.635 1.00 41.13 N ATOM 297 CA LYS A 23 -1.992 -2.290 -2.784 1.00 41.04 C ATOM 298 C LYS A 23 -1.118 -3.508 -3.064 1.00 44.22 C ATOM 299 O LYS A 23 -1.619 -4.624 -3.203 1.00 31.24 O ATOM 300 CB LYS A 23 -3.464 -2.644 -3.001 1.00 71.41 C ATOM 301 CG LYS A 23 -4.400 -1.452 -2.897 1.00 25.51 C ATOM 302 CD LYS A 23 -5.302 -1.555 -1.678 1.00 62.54 C ATOM 303 CE LYS A 23 -6.380 -0.484 -1.691 1.00 63.21 C ATOM 304 NZ LYS A 23 -5.904 0.790 -1.082 1.00 71.15 N ATOM 0 H LYS A 23 -1.240 -0.364 -3.130 1.00 41.13 H new ATOM 0 HA LYS A 23 -1.846 -1.992 -1.746 1.00 41.04 H new ATOM 0 HB2 LYS A 23 -3.578 -3.100 -3.985 1.00 71.41 H new ATOM 0 HB3 LYS A 23 -3.761 -3.393 -2.267 1.00 71.41 H new ATOM 0 HG2 LYS A 23 -3.816 -0.533 -2.842 1.00 25.51 H new ATOM 0 HG3 LYS A 23 -5.010 -1.388 -3.798 1.00 25.51 H new ATOM 0 HD2 LYS A 23 -5.767 -2.540 -1.650 1.00 62.54 H new ATOM 0 HD3 LYS A 23 -4.704 -1.459 -0.772 1.00 62.54 H new ATOM 0 HE2 LYS A 23 -6.696 -0.300 -2.718 1.00 63.21 H new ATOM 0 HE3 LYS A 23 -7.254 -0.842 -1.147 1.00 63.21 H new ATOM 0 HZ1 LYS A 23 -6.668 1.495 -1.110 1.00 71.15 H new ATOM 0 HZ2 LYS A 23 -5.626 0.620 -0.094 1.00 71.15 H new ATOM 0 HZ3 LYS A 23 -5.085 1.145 -1.616 1.00 71.15 H new ATOM 314 N ARG A 24 0.190 -3.286 -3.144 1.00 21.34 N ATOM 315 CA ARG A 24 1.133 -4.366 -3.408 1.00 21.41 C ATOM 316 C ARG A 24 2.273 -4.353 -2.393 1.00 0.40 C ATOM 317 O ARG A 24 3.407 -4.709 -2.712 1.00 5.40 O ATOM 318 CB ARG A 24 1.696 -4.246 -4.825 1.00 31.31 C ATOM 319 CG ARG A 24 1.047 -5.193 -5.821 1.00 1.11 C ATOM 320 CD ARG A 24 1.269 -6.647 -5.434 1.00 22.03 C ATOM 321 NE ARG A 24 1.115 -7.547 -6.573 1.00 72.42 N ATOM 322 CZ ARG A 24 1.124 -8.871 -6.470 1.00 51.15 C ATOM 323 NH1 ARG A 24 1.276 -9.446 -5.286 1.00 0.15 N ATOM 324 NH2 ARG A 24 0.977 -9.623 -7.554 1.00 2.41 N ATOM 0 H ARG A 24 0.621 -2.368 -3.030 1.00 21.34 H new ATOM 0 HA ARG A 24 0.598 -5.311 -3.316 1.00 21.41 H new ATOM 0 HB2 ARG A 24 1.566 -3.221 -5.173 1.00 31.31 H new ATOM 0 HB3 ARG A 24 2.768 -4.440 -4.798 1.00 31.31 H new ATOM 0 HG2 ARG A 24 -0.022 -4.989 -5.875 1.00 1.11 H new ATOM 0 HG3 ARG A 24 1.456 -5.013 -6.815 1.00 1.11 H new ATOM 0 HD2 ARG A 24 2.268 -6.762 -5.014 1.00 22.03 H new ATOM 0 HD3 ARG A 24 0.561 -6.926 -4.653 1.00 22.03 H new ATOM 0 HE ARG A 24 0.994 -7.136 -7.499 1.00 72.42 H new ATOM 0 HH11 ARG A 24 1.386 -8.871 -4.450 1.00 0.15 H new ATOM 0 HH12 ARG A 24 1.282 -10.463 -5.210 1.00 0.15 H new ATOM 0 HH21 ARG A 24 0.857 -9.184 -8.467 1.00 2.41 H new ATOM 0 HH22 ARG A 24 0.984 -10.640 -7.474 1.00 2.41 H new ATOM 335 N CYS A 25 1.964 -3.937 -1.170 1.00 43.43 N ATOM 336 CA CYS A 25 2.961 -3.875 -0.108 1.00 42.23 C ATOM 337 C CYS A 25 3.052 -5.207 0.631 1.00 34.23 C ATOM 338 O CYS A 25 2.074 -5.952 0.715 1.00 13.14 O ATOM 339 CB CYS A 25 2.618 -2.755 0.877 1.00 20.11 C ATOM 340 SG CYS A 25 4.053 -2.109 1.796 1.00 35.53 S ATOM 0 H CYS A 25 1.030 -3.637 -0.889 1.00 43.43 H new ATOM 0 HA CYS A 25 3.929 -3.666 -0.564 1.00 42.23 H new ATOM 0 HB2 CYS A 25 2.151 -1.936 0.331 1.00 20.11 H new ATOM 0 HB3 CYS A 25 1.880 -3.125 1.589 1.00 20.11 H new ATOM 344 N LEU A 26 4.232 -5.501 1.167 1.00 72.20 N ATOM 345 CA LEU A 26 4.452 -6.743 1.900 1.00 55.12 C ATOM 346 C LEU A 26 5.166 -6.475 3.221 1.00 43.12 C ATOM 347 O LEU A 26 5.929 -5.518 3.344 1.00 44.04 O ATOM 348 CB LEU A 26 5.270 -7.720 1.053 1.00 32.20 C ATOM 349 CG LEU A 26 5.322 -9.162 1.555 1.00 51.14 C ATOM 350 CD1 LEU A 26 4.052 -9.907 1.172 1.00 41.23 C ATOM 351 CD2 LEU A 26 6.548 -9.875 1.004 1.00 33.40 C ATOM 0 H LEU A 26 5.051 -4.896 1.108 1.00 72.20 H new ATOM 0 HA LEU A 26 3.480 -7.186 2.117 1.00 55.12 H new ATOM 0 HB2 LEU A 26 4.862 -7.723 0.042 1.00 32.20 H new ATOM 0 HB3 LEU A 26 6.291 -7.343 0.984 1.00 32.20 H new ATOM 0 HG LEU A 26 5.395 -9.145 2.642 1.00 51.14 H new ATOM 0 HD11 LEU A 26 4.107 -10.932 1.538 1.00 41.23 H new ATOM 0 HD12 LEU A 26 3.190 -9.409 1.616 1.00 41.23 H new ATOM 0 HD13 LEU A 26 3.948 -9.914 0.087 1.00 41.23 H new ATOM 0 HD21 LEU A 26 6.568 -10.901 1.372 1.00 33.40 H new ATOM 0 HD22 LEU A 26 6.506 -9.881 -0.085 1.00 33.40 H new ATOM 0 HD23 LEU A 26 7.449 -9.355 1.330 1.00 33.40 H new ATOM 362 N PHE A 27 4.915 -7.330 4.207 1.00 74.42 N ATOM 363 CA PHE A 27 5.534 -7.189 5.519 1.00 12.34 C ATOM 364 C PHE A 27 7.038 -7.432 5.439 1.00 21.32 C ATOM 365 O PHE A 27 7.812 -6.866 6.212 1.00 65.24 O ATOM 366 CB PHE A 27 4.901 -8.163 6.514 1.00 52.45 C ATOM 367 CG PHE A 27 3.592 -7.682 7.074 1.00 34.22 C ATOM 368 CD1 PHE A 27 3.426 -7.523 8.440 1.00 21.20 C ATOM 369 CD2 PHE A 27 2.531 -7.389 6.234 1.00 13.42 C ATOM 370 CE1 PHE A 27 2.224 -7.079 8.959 1.00 44.41 C ATOM 371 CE2 PHE A 27 1.327 -6.945 6.747 1.00 22.04 C ATOM 372 CZ PHE A 27 1.172 -6.791 8.111 1.00 55.32 C ATOM 0 H PHE A 27 4.286 -8.129 4.122 1.00 74.42 H new ATOM 0 HA PHE A 27 5.366 -6.169 5.864 1.00 12.34 H new ATOM 0 HB2 PHE A 27 4.746 -9.123 6.022 1.00 52.45 H new ATOM 0 HB3 PHE A 27 5.597 -8.335 7.335 1.00 52.45 H new ATOM 0 HD1 PHE A 27 4.245 -7.748 9.107 1.00 21.20 H new ATOM 0 HD2 PHE A 27 2.646 -7.509 5.167 1.00 13.42 H new ATOM 0 HE1 PHE A 27 2.108 -6.957 10.026 1.00 44.41 H new ATOM 0 HE2 PHE A 27 0.507 -6.718 6.081 1.00 22.04 H new ATOM 0 HZ PHE A 27 0.231 -6.446 8.513 1.00 55.32 H new ATOM 381 N TYR A 28 7.445 -8.278 4.500 1.00 24.15 N ATOM 382 CA TYR A 28 8.856 -8.600 4.320 1.00 42.22 C ATOM 383 C TYR A 28 9.534 -7.588 3.401 1.00 64.32 C ATOM 384 O TYR A 28 10.583 -7.037 3.732 1.00 52.42 O ATOM 385 CB TYR A 28 9.010 -10.010 3.746 1.00 43.05 C ATOM 386 CG TYR A 28 8.521 -11.098 4.674 1.00 43.42 C ATOM 387 CD1 TYR A 28 7.224 -11.591 4.575 1.00 4.24 C ATOM 388 CD2 TYR A 28 9.352 -11.634 5.650 1.00 65.43 C ATOM 389 CE1 TYR A 28 6.772 -12.584 5.421 1.00 31.12 C ATOM 390 CE2 TYR A 28 8.907 -12.629 6.499 1.00 14.24 C ATOM 391 CZ TYR A 28 7.617 -13.101 6.381 1.00 71.23 C ATOM 392 OH TYR A 28 7.170 -14.091 7.225 1.00 4.41 O ATOM 0 H TYR A 28 6.818 -8.754 3.851 1.00 24.15 H new ATOM 0 HA TYR A 28 9.339 -8.557 5.296 1.00 42.22 H new ATOM 0 HB2 TYR A 28 8.462 -10.072 2.806 1.00 43.05 H new ATOM 0 HB3 TYR A 28 10.060 -10.186 3.515 1.00 43.05 H new ATOM 0 HD1 TYR A 28 6.560 -11.190 3.824 1.00 4.24 H new ATOM 0 HD2 TYR A 28 10.363 -11.267 5.747 1.00 65.43 H new ATOM 0 HE1 TYR A 28 5.761 -12.954 5.332 1.00 31.12 H new ATOM 0 HE2 TYR A 28 9.567 -13.035 7.252 1.00 14.24 H new ATOM 0 HH TYR A 28 7.889 -14.345 7.841 1.00 4.41 H new ATOM 401 N ALA A 29 8.923 -7.349 2.245 1.00 61.12 N ATOM 402 CA ALA A 29 9.464 -6.400 1.278 1.00 21.34 C ATOM 403 C ALA A 29 9.383 -4.972 1.805 1.00 24.31 C ATOM 404 O ALA A 29 10.309 -4.182 1.629 1.00 43.14 O ATOM 405 CB ALA A 29 8.726 -6.519 -0.047 1.00 2.14 C ATOM 0 H ALA A 29 8.054 -7.798 1.955 1.00 61.12 H new ATOM 0 HA ALA A 29 10.515 -6.641 1.119 1.00 21.34 H new ATOM 0 HB1 ALA A 29 9.140 -5.805 -0.759 1.00 2.14 H new ATOM 0 HB2 ALA A 29 8.841 -7.530 -0.438 1.00 2.14 H new ATOM 0 HB3 ALA A 29 7.668 -6.307 0.106 1.00 2.14 H new ATOM 411 N ALA A 30 8.268 -4.648 2.452 1.00 71.15 N ATOM 412 CA ALA A 30 8.067 -3.314 3.005 1.00 3.03 C ATOM 413 C ALA A 30 8.064 -2.258 1.906 1.00 12.05 C ATOM 414 O ALA A 30 8.099 -1.058 2.181 1.00 32.52 O ATOM 415 CB ALA A 30 9.141 -3.003 4.037 1.00 72.24 C ATOM 0 H ALA A 30 7.491 -5.290 2.606 1.00 71.15 H new ATOM 0 HA ALA A 30 7.093 -3.294 3.494 1.00 3.03 H new ATOM 0 HB1 ALA A 30 8.979 -2.004 4.441 1.00 72.24 H new ATOM 0 HB2 ALA A 30 9.092 -3.734 4.844 1.00 72.24 H new ATOM 0 HB3 ALA A 30 10.123 -3.048 3.565 1.00 72.24 H new ATOM 421 N LYS A 31 8.023 -2.710 0.657 1.00 34.24 N ATOM 422 CA LYS A 31 8.016 -1.805 -0.485 1.00 22.22 C ATOM 423 C LYS A 31 7.091 -2.321 -1.583 1.00 22.40 C ATOM 424 O LYS A 31 7.045 -3.520 -1.858 1.00 1.32 O ATOM 425 CB LYS A 31 9.433 -1.636 -1.038 1.00 4.22 C ATOM 426 CG LYS A 31 9.472 -1.136 -2.472 1.00 12.42 C ATOM 427 CD LYS A 31 9.554 -2.286 -3.461 1.00 61.02 C ATOM 428 CE LYS A 31 10.974 -2.815 -3.585 1.00 62.44 C ATOM 429 NZ LYS A 31 11.177 -3.569 -4.852 1.00 3.33 N ATOM 0 H LYS A 31 7.994 -3.699 0.410 1.00 34.24 H new ATOM 0 HA LYS A 31 7.646 -0.837 -0.146 1.00 22.22 H new ATOM 0 HB2 LYS A 31 9.980 -0.938 -0.404 1.00 4.22 H new ATOM 0 HB3 LYS A 31 9.952 -2.593 -0.982 1.00 4.22 H new ATOM 0 HG2 LYS A 31 8.581 -0.542 -2.676 1.00 12.42 H new ATOM 0 HG3 LYS A 31 10.331 -0.478 -2.606 1.00 12.42 H new ATOM 0 HD2 LYS A 31 8.892 -3.090 -3.141 1.00 61.02 H new ATOM 0 HD3 LYS A 31 9.202 -1.953 -4.437 1.00 61.02 H new ATOM 0 HE2 LYS A 31 11.676 -1.983 -3.541 1.00 62.44 H new ATOM 0 HE3 LYS A 31 11.195 -3.464 -2.737 1.00 62.44 H new ATOM 0 HZ1 LYS A 31 12.167 -3.476 -5.156 1.00 3.33 H new ATOM 0 HZ2 LYS A 31 10.955 -4.573 -4.698 1.00 3.33 H new ATOM 0 HZ3 LYS A 31 10.551 -3.185 -5.588 1.00 3.33 H new ATOM 439 N CYS A 32 6.354 -1.408 -2.207 1.00 14.43 N ATOM 440 CA CYS A 32 5.430 -1.769 -3.275 1.00 55.04 C ATOM 441 C CYS A 32 6.132 -2.605 -4.342 1.00 42.15 C ATOM 442 O CYS A 32 7.017 -2.117 -5.045 1.00 65.14 O ATOM 443 CB CYS A 32 4.832 -0.511 -3.908 1.00 44.43 C ATOM 444 SG CYS A 32 3.029 -0.355 -3.691 1.00 21.24 S ATOM 0 H CYS A 32 6.379 -0.411 -1.991 1.00 14.43 H new ATOM 0 HA CYS A 32 4.627 -2.365 -2.841 1.00 55.04 H new ATOM 0 HB2 CYS A 32 5.316 0.365 -3.477 1.00 44.43 H new ATOM 0 HB3 CYS A 32 5.061 -0.510 -4.974 1.00 44.43 H new ATOM 448 N VAL A 33 5.730 -3.866 -4.458 1.00 0.54 N ATOM 449 CA VAL A 33 6.318 -4.770 -5.439 1.00 35.11 C ATOM 450 C VAL A 33 5.280 -5.228 -6.457 1.00 1.55 C ATOM 451 O VAL A 33 4.172 -5.623 -6.094 1.00 55.23 O ATOM 452 CB VAL A 33 6.937 -6.007 -4.763 1.00 31.33 C ATOM 453 CG1 VAL A 33 8.316 -5.680 -4.209 1.00 71.52 C ATOM 454 CG2 VAL A 33 6.023 -6.527 -3.664 1.00 3.21 C ATOM 0 H VAL A 33 4.999 -4.285 -3.884 1.00 0.54 H new ATOM 0 HA VAL A 33 7.103 -4.213 -5.950 1.00 35.11 H new ATOM 0 HB VAL A 33 7.049 -6.790 -5.513 1.00 31.33 H new ATOM 0 HG11 VAL A 33 8.737 -6.567 -3.735 1.00 71.52 H new ATOM 0 HG12 VAL A 33 8.968 -5.358 -5.021 1.00 71.52 H new ATOM 0 HG13 VAL A 33 8.232 -4.880 -3.473 1.00 71.52 H new ATOM 0 HG21 VAL A 33 6.476 -7.401 -3.197 1.00 3.21 H new ATOM 0 HG22 VAL A 33 5.877 -5.750 -2.914 1.00 3.21 H new ATOM 0 HG23 VAL A 33 5.059 -6.803 -4.092 1.00 3.21 H new ATOM 464 N SER A 34 5.646 -5.170 -7.734 1.00 34.41 N ATOM 465 CA SER A 34 4.743 -5.576 -8.806 1.00 1.31 C ATOM 466 C SER A 34 4.219 -6.989 -8.569 1.00 14.03 C ATOM 467 O SER A 34 4.881 -7.809 -7.936 1.00 14.13 O ATOM 468 CB SER A 34 5.459 -5.505 -10.156 1.00 75.31 C ATOM 469 OG SER A 34 4.758 -6.242 -11.143 1.00 52.24 O ATOM 0 H SER A 34 6.560 -4.846 -8.051 1.00 34.41 H new ATOM 0 HA SER A 34 3.896 -4.890 -8.815 1.00 1.31 H new ATOM 0 HB2 SER A 34 5.549 -4.465 -10.469 1.00 75.31 H new ATOM 0 HB3 SER A 34 6.471 -5.896 -10.056 1.00 75.31 H new ATOM 0 HG SER A 34 5.234 -6.180 -11.997 1.00 52.24 H new TER 474 SER A 34