USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 384 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 Set 1.1: A 6 HIS : no HD1:sc= -1.38 K(o=-0.67,f=-2.2) USER MOD Set 1.2: A 13 THR OG1 : rot -62:sc= 0.704 USER MOD Single : A 1 ARG N :NH3+ -149:sc= 1.14! (180deg=-3.39!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.0988 K(o=-0.099,f=-1.4) USER MOD Single : A 9 THR OG1 : rot 78:sc= 0.5 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 21 SER OG : rot 14:sc= 0.577 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -107:sc= -0.293! (180deg=-3.85!) USER MOD Single : A 25 ASN : amide:sc= 0.565 K(o=0.57,f=-0.23) USER MOD Single : A 28 THR OG1 : rot -140:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0018 USER MOD Single : A 56 LYS NZ :NH3+ -164:sc= -0.972! (180deg=-1.96!) USER MOD Single : A 58 ASN : amide:sc=-0.00995 X(o=-0.01,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 40.488 24.958 67.460 1.00 0.00 N ATOM 2 CA ARG A 1 39.221 24.419 66.757 1.00 0.00 C ATOM 3 C ARG A 1 39.205 24.797 65.227 1.00 0.00 C ATOM 4 O ARG A 1 40.120 25.461 64.753 1.00 0.00 O ATOM 5 CB ARG A 1 37.957 24.904 67.506 1.00 0.00 C ATOM 6 CG ARG A 1 37.261 23.817 68.353 1.00 0.00 C ATOM 7 CD ARG A 1 36.128 24.404 69.218 1.00 0.00 C ATOM 8 NE ARG A 1 36.474 25.324 70.340 1.00 0.00 N ATOM 9 CZ ARG A 1 37.574 25.341 71.080 1.00 0.00 C ATOM 10 NH1 ARG A 1 38.279 24.260 71.280 1.00 0.00 N ATOM 11 NH2 ARG A 1 37.928 26.458 71.659 1.00 0.00 N ATOM 0 H1 ARG A 1 40.754 24.318 68.236 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.268 25.014 66.775 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.296 25.905 67.844 1.00 0.00 H new ATOM 0 HA ARG A 1 39.230 23.330 66.796 1.00 0.00 H new ATOM 0 HB2 ARG A 1 38.231 25.734 68.157 1.00 0.00 H new ATOM 0 HB3 ARG A 1 37.244 25.292 66.778 1.00 0.00 H new ATOM 0 HG2 ARG A 1 36.855 23.048 67.695 1.00 0.00 H new ATOM 0 HG3 ARG A 1 37.995 23.332 68.996 1.00 0.00 H new ATOM 0 HD2 ARG A 1 35.450 24.938 68.553 1.00 0.00 H new ATOM 0 HD3 ARG A 1 35.569 23.568 69.639 1.00 0.00 H new ATOM 0 HE ARG A 1 35.775 26.031 70.567 1.00 0.00 H new ATOM 0 HH11 ARG A 1 37.987 23.376 70.863 1.00 0.00 H new ATOM 0 HH12 ARG A 1 39.122 24.299 71.853 1.00 0.00 H new ATOM 0 HH21 ARG A 1 37.361 27.297 71.538 1.00 0.00 H new ATOM 0 HH22 ARG A 1 38.771 26.490 72.232 1.00 0.00 H new ATOM 27 N ILE A 2 38.165 24.285 64.437 1.00 0.00 N ATOM 28 CA ILE A 2 38.183 24.505 62.963 1.00 0.00 C ATOM 29 C ILE A 2 37.783 25.991 62.661 1.00 0.00 C ATOM 30 O ILE A 2 36.734 26.491 63.070 1.00 0.00 O ATOM 31 CB ILE A 2 37.268 23.626 62.043 1.00 0.00 C ATOM 32 CG1 ILE A 2 37.578 22.110 62.141 1.00 0.00 C ATOM 33 CG2 ILE A 2 37.374 24.047 60.541 1.00 0.00 C ATOM 34 CD1 ILE A 2 36.436 21.164 61.725 1.00 0.00 C ATOM 0 H ILE A 2 37.368 23.756 64.790 1.00 0.00 H new ATOM 0 HA ILE A 2 39.204 24.218 62.712 1.00 0.00 H new ATOM 0 HB ILE A 2 36.257 23.801 62.411 1.00 0.00 H new ATOM 0 HG12 ILE A 2 38.447 21.895 61.519 1.00 0.00 H new ATOM 0 HG13 ILE A 2 37.857 21.881 63.169 1.00 0.00 H new ATOM 0 HG21 ILE A 2 36.724 23.412 59.939 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.068 25.087 60.432 1.00 0.00 H new ATOM 0 HG23 ILE A 2 38.404 23.935 60.204 1.00 0.00 H new ATOM 0 HD11 ILE A 2 36.763 20.130 61.833 1.00 0.00 H new ATOM 0 HD12 ILE A 2 35.569 21.339 62.361 1.00 0.00 H new ATOM 0 HD13 ILE A 2 36.167 21.353 60.686 1.00 0.00 H new ATOM 46 N CYS A 3 38.663 26.692 61.850 1.00 0.00 N ATOM 47 CA CYS A 3 38.323 27.996 61.289 1.00 0.00 C ATOM 48 C CYS A 3 38.766 28.060 59.783 1.00 0.00 C ATOM 49 O CYS A 3 39.401 27.142 59.263 1.00 0.00 O ATOM 50 CB CYS A 3 38.901 29.194 62.073 1.00 0.00 C ATOM 51 SG CYS A 3 38.868 28.894 63.887 1.00 0.00 S ATOM 0 H CYS A 3 39.590 26.354 61.593 1.00 0.00 H new ATOM 0 HA CYS A 3 37.240 28.089 61.370 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.926 29.379 61.753 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.328 30.092 61.841 1.00 0.00 H new ATOM 56 N TYR A 4 38.396 29.191 59.085 1.00 0.00 N ATOM 57 CA TYR A 4 38.676 29.323 57.647 1.00 0.00 C ATOM 58 C TYR A 4 39.838 30.318 57.347 1.00 0.00 C ATOM 59 O TYR A 4 40.125 31.204 58.151 1.00 0.00 O ATOM 60 CB TYR A 4 37.425 29.880 56.949 1.00 0.00 C ATOM 61 CG TYR A 4 36.135 29.177 57.336 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.953 27.797 57.285 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.063 29.939 57.784 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.746 27.208 57.625 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.841 29.378 58.112 1.00 0.00 C ATOM 66 CZ TYR A 4 33.648 28.000 58.013 1.00 0.00 C ATOM 67 OH TYR A 4 32.454 27.400 58.286 1.00 0.00 O ATOM 0 H TYR A 4 37.918 29.991 59.500 1.00 0.00 H new ATOM 0 HA TYR A 4 38.957 28.333 57.287 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.333 30.940 57.183 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.559 29.803 55.870 1.00 0.00 H new ATOM 0 HD1 TYR A 4 36.774 27.170 56.972 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.188 31.007 57.880 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.646 26.133 57.592 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.032 30.011 58.447 1.00 0.00 H new ATOM 0 HH TYR A 4 31.797 28.081 58.541 1.00 0.00 H new ATOM 77 N ASN A 5 40.472 30.188 56.120 1.00 0.00 N ATOM 78 CA ASN A 5 41.511 31.150 55.756 1.00 0.00 C ATOM 79 C ASN A 5 41.546 31.198 54.200 1.00 0.00 C ATOM 80 O ASN A 5 42.591 30.939 53.615 1.00 0.00 O ATOM 81 CB ASN A 5 42.896 30.857 56.352 1.00 0.00 C ATOM 82 CG ASN A 5 43.872 32.011 56.126 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.591 33.046 55.550 1.00 0.00 O ATOM 84 ND2 ASN A 5 45.106 31.799 56.632 1.00 0.00 N ATOM 0 H ASN A 5 40.277 29.464 55.428 1.00 0.00 H new ATOM 0 HA ASN A 5 41.258 32.119 56.185 1.00 0.00 H new ATOM 0 HB2 ASN A 5 42.798 30.669 57.421 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.299 29.949 55.904 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.827 32.514 56.536 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.317 30.923 57.111 1.00 0.00 H new ATOM 91 N HIS A 6 40.373 31.533 53.538 1.00 0.00 N ATOM 92 CA HIS A 6 40.200 31.619 52.070 1.00 0.00 C ATOM 93 C HIS A 6 40.296 33.078 51.491 1.00 0.00 C ATOM 94 O HIS A 6 40.668 34.009 52.195 1.00 0.00 O ATOM 95 CB HIS A 6 40.961 30.536 51.191 1.00 0.00 C ATOM 96 CG HIS A 6 42.393 30.795 50.840 1.00 0.00 C ATOM 97 ND1 HIS A 6 43.268 29.784 50.384 1.00 0.00 N ATOM 98 CD2 HIS A 6 43.172 31.916 50.852 1.00 0.00 C ATOM 99 CE1 HIS A 6 44.493 30.250 50.169 1.00 0.00 C ATOM 100 NE2 HIS A 6 44.445 31.563 50.435 1.00 0.00 N ATOM 0 H HIS A 6 39.515 31.752 54.044 1.00 0.00 H new ATOM 0 HA HIS A 6 39.158 31.321 51.959 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.914 29.584 51.720 1.00 0.00 H new ATOM 0 HB3 HIS A 6 40.407 30.412 50.261 1.00 0.00 H new ATOM 0 HD2 HIS A 6 42.851 32.907 51.137 1.00 0.00 H new ATOM 0 HE1 HIS A 6 45.354 29.685 49.845 1.00 0.00 H new ATOM 0 HE2 HIS A 6 45.230 32.207 50.344 1.00 0.00 H new ATOM 109 N LEU A 7 39.893 33.244 50.178 1.00 0.00 N ATOM 110 CA LEU A 7 39.841 34.521 49.471 1.00 0.00 C ATOM 111 C LEU A 7 41.237 35.208 49.260 1.00 0.00 C ATOM 112 O LEU A 7 42.301 34.617 49.414 1.00 0.00 O ATOM 113 CB LEU A 7 38.771 35.476 50.036 1.00 0.00 C ATOM 114 CG LEU A 7 37.322 34.949 50.160 1.00 0.00 C ATOM 115 CD1 LEU A 7 36.425 36.139 50.533 1.00 0.00 C ATOM 116 CD2 LEU A 7 36.822 34.292 48.864 1.00 0.00 C ATOM 0 H LEU A 7 39.596 32.459 49.598 1.00 0.00 H new ATOM 0 HA LEU A 7 39.516 34.264 48.463 1.00 0.00 H new ATOM 0 HB2 LEU A 7 39.097 35.794 51.026 1.00 0.00 H new ATOM 0 HB3 LEU A 7 38.750 36.365 49.406 1.00 0.00 H new ATOM 0 HG LEU A 7 37.291 34.175 50.926 1.00 0.00 H new ATOM 0 HD11 LEU A 7 35.393 35.801 50.629 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.757 36.562 51.481 1.00 0.00 H new ATOM 0 HD13 LEU A 7 36.487 36.899 49.755 1.00 0.00 H new ATOM 0 HD21 LEU A 7 35.800 33.940 49.005 1.00 0.00 H new ATOM 0 HD22 LEU A 7 36.846 35.021 48.054 1.00 0.00 H new ATOM 0 HD23 LEU A 7 37.465 33.449 48.612 1.00 0.00 H new ATOM 128 N GLY A 8 41.170 36.491 48.739 1.00 0.00 N ATOM 129 CA GLY A 8 42.367 37.275 48.472 1.00 0.00 C ATOM 130 C GLY A 8 43.234 36.633 47.359 1.00 0.00 C ATOM 131 O GLY A 8 44.447 36.608 47.545 1.00 0.00 O ATOM 0 H GLY A 8 40.297 36.967 48.511 1.00 0.00 H new ATOM 0 HA2 GLY A 8 42.083 38.285 48.175 1.00 0.00 H new ATOM 0 HA3 GLY A 8 42.955 37.365 49.385 1.00 0.00 H new ATOM 135 N THR A 9 42.621 36.187 46.189 1.00 0.00 N ATOM 136 CA THR A 9 43.225 35.601 44.949 1.00 0.00 C ATOM 137 C THR A 9 42.886 34.079 44.829 1.00 0.00 C ATOM 138 O THR A 9 42.674 33.580 43.723 1.00 0.00 O ATOM 139 CB THR A 9 44.765 35.749 44.814 1.00 0.00 C ATOM 140 OG1 THR A 9 45.232 37.096 44.919 1.00 0.00 O ATOM 141 CG2 THR A 9 45.366 35.239 43.492 1.00 0.00 C ATOM 0 H THR A 9 41.606 36.240 46.100 1.00 0.00 H new ATOM 0 HA THR A 9 42.776 36.189 44.148 1.00 0.00 H new ATOM 0 HB THR A 9 45.094 35.132 45.650 1.00 0.00 H new ATOM 0 HG1 THR A 9 45.250 37.363 45.862 1.00 0.00 H new ATOM 0 HG21 THR A 9 46.446 35.389 43.501 1.00 0.00 H new ATOM 0 HG22 THR A 9 45.148 34.177 43.379 1.00 0.00 H new ATOM 0 HG23 THR A 9 44.930 35.789 42.658 1.00 0.00 H new ATOM 149 N LYS A 10 42.870 33.331 45.991 1.00 0.00 N ATOM 150 CA LYS A 10 42.687 31.861 46.052 1.00 0.00 C ATOM 151 C LYS A 10 41.511 31.504 47.058 1.00 0.00 C ATOM 152 O LYS A 10 41.597 31.891 48.214 1.00 0.00 O ATOM 153 CB LYS A 10 43.961 31.106 46.565 1.00 0.00 C ATOM 154 CG LYS A 10 44.696 30.126 45.618 1.00 0.00 C ATOM 155 CD LYS A 10 45.163 30.704 44.264 1.00 0.00 C ATOM 156 CE LYS A 10 44.207 30.477 43.064 1.00 0.00 C ATOM 157 NZ LYS A 10 43.957 31.776 42.291 1.00 0.00 N ATOM 0 H LYS A 10 42.987 33.754 46.912 1.00 0.00 H new ATOM 0 HA LYS A 10 42.470 31.545 45.032 1.00 0.00 H new ATOM 0 HB2 LYS A 10 44.683 31.859 46.881 1.00 0.00 H new ATOM 0 HB3 LYS A 10 43.674 30.547 47.456 1.00 0.00 H new ATOM 0 HG2 LYS A 10 45.568 29.733 46.141 1.00 0.00 H new ATOM 0 HG3 LYS A 10 44.036 29.281 45.420 1.00 0.00 H new ATOM 0 HD2 LYS A 10 45.317 31.776 44.383 1.00 0.00 H new ATOM 0 HD3 LYS A 10 46.132 30.268 44.019 1.00 0.00 H new ATOM 0 HE2 LYS A 10 44.633 29.730 42.394 1.00 0.00 H new ATOM 0 HE3 LYS A 10 43.258 30.078 43.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 43.314 31.588 41.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 43.528 32.480 42.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 44.860 32.143 41.927 1.00 0.00 H new ATOM 171 N PRO A 11 40.452 30.658 46.659 1.00 0.00 N ATOM 172 CA PRO A 11 39.386 30.273 47.648 1.00 0.00 C ATOM 173 C PRO A 11 39.407 28.871 48.413 1.00 0.00 C ATOM 174 O PRO A 11 38.594 28.765 49.334 1.00 0.00 O ATOM 175 CB PRO A 11 38.051 30.336 46.882 1.00 0.00 C ATOM 176 CG PRO A 11 38.331 31.375 45.799 1.00 0.00 C ATOM 177 CD PRO A 11 39.763 31.019 45.406 1.00 0.00 C ATOM 0 HA PRO A 11 39.561 30.974 48.464 1.00 0.00 H new ATOM 0 HB2 PRO A 11 37.783 29.369 46.455 1.00 0.00 H new ATOM 0 HB3 PRO A 11 37.227 30.638 47.529 1.00 0.00 H new ATOM 0 HG2 PRO A 11 37.641 31.290 44.959 1.00 0.00 H new ATOM 0 HG3 PRO A 11 38.250 32.394 46.176 1.00 0.00 H new ATOM 0 HD2 PRO A 11 39.779 30.189 44.699 1.00 0.00 H new ATOM 0 HD3 PRO A 11 40.255 31.861 44.919 1.00 0.00 H new ATOM 185 N PRO A 12 40.346 27.861 48.194 1.00 0.00 N ATOM 186 CA PRO A 12 40.184 26.532 48.834 1.00 0.00 C ATOM 187 C PRO A 12 40.560 26.180 50.310 1.00 0.00 C ATOM 188 O PRO A 12 40.127 25.104 50.734 1.00 0.00 O ATOM 189 CB PRO A 12 41.118 25.637 47.997 1.00 0.00 C ATOM 190 CG PRO A 12 40.930 26.187 46.585 1.00 0.00 C ATOM 191 CD PRO A 12 40.920 27.690 46.857 1.00 0.00 C ATOM 0 HA PRO A 12 39.099 26.430 48.868 1.00 0.00 H new ATOM 0 HB2 PRO A 12 42.154 25.712 48.327 1.00 0.00 H new ATOM 0 HB3 PRO A 12 40.838 24.586 48.063 1.00 0.00 H new ATOM 0 HG2 PRO A 12 41.740 25.894 45.917 1.00 0.00 H new ATOM 0 HG3 PRO A 12 40.001 25.844 46.129 1.00 0.00 H new ATOM 0 HD2 PRO A 12 41.929 28.100 46.811 1.00 0.00 H new ATOM 0 HD3 PRO A 12 40.327 28.217 46.109 1.00 0.00 H new ATOM 199 N THR A 13 41.360 26.979 51.111 1.00 0.00 N ATOM 200 CA THR A 13 41.769 26.487 52.443 1.00 0.00 C ATOM 201 C THR A 13 40.793 26.873 53.613 1.00 0.00 C ATOM 202 O THR A 13 40.488 28.018 53.936 1.00 0.00 O ATOM 203 CB THR A 13 43.212 26.839 52.890 1.00 0.00 C ATOM 204 OG1 THR A 13 43.512 28.226 53.022 1.00 0.00 O ATOM 205 CG2 THR A 13 44.278 26.254 51.950 1.00 0.00 C ATOM 0 H THR A 13 41.705 27.905 50.859 1.00 0.00 H new ATOM 0 HA THR A 13 41.726 25.412 52.268 1.00 0.00 H new ATOM 0 HB THR A 13 43.244 26.389 53.882 1.00 0.00 H new ATOM 0 HG1 THR A 13 43.418 28.665 52.151 1.00 0.00 H new ATOM 0 HG21 THR A 13 45.270 26.530 52.308 1.00 0.00 H new ATOM 0 HG22 THR A 13 44.189 25.168 51.930 1.00 0.00 H new ATOM 0 HG23 THR A 13 44.133 26.649 50.944 1.00 0.00 H new ATOM 213 N THR A 14 40.392 25.765 54.322 1.00 0.00 N ATOM 214 CA THR A 14 39.648 25.638 55.568 1.00 0.00 C ATOM 215 C THR A 14 40.441 24.575 56.391 1.00 0.00 C ATOM 216 O THR A 14 40.958 23.609 55.821 1.00 0.00 O ATOM 217 CB THR A 14 38.218 25.138 55.400 1.00 0.00 C ATOM 218 OG1 THR A 14 38.112 23.817 54.859 1.00 0.00 O ATOM 219 CG2 THR A 14 37.388 26.040 54.471 1.00 0.00 C ATOM 0 H THR A 14 40.626 24.839 53.964 1.00 0.00 H new ATOM 0 HA THR A 14 39.562 26.619 56.035 1.00 0.00 H new ATOM 0 HB THR A 14 37.838 25.148 56.421 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.167 23.569 54.784 1.00 0.00 H new ATOM 0 HG21 THR A 14 36.377 25.641 54.384 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.346 27.048 54.885 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.852 26.072 53.485 1.00 0.00 H new ATOM 227 N GLU A 15 40.512 24.736 57.767 1.00 0.00 N ATOM 228 CA GLU A 15 41.468 23.863 58.450 1.00 0.00 C ATOM 229 C GLU A 15 41.184 23.666 59.976 1.00 0.00 C ATOM 230 O GLU A 15 40.907 24.592 60.734 1.00 0.00 O ATOM 231 CB GLU A 15 42.926 24.375 58.297 1.00 0.00 C ATOM 232 CG GLU A 15 44.085 23.434 58.698 1.00 0.00 C ATOM 233 CD GLU A 15 44.066 22.154 57.868 1.00 0.00 C ATOM 234 OE1 GLU A 15 43.298 21.221 58.020 1.00 0.00 O ATOM 235 OE2 GLU A 15 45.027 22.153 56.945 1.00 0.00 O ATOM 0 H GLU A 15 39.977 25.388 58.341 1.00 0.00 H new ATOM 0 HA GLU A 15 41.342 22.899 57.956 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.071 24.654 57.253 1.00 0.00 H new ATOM 0 HB3 GLU A 15 43.021 25.287 58.887 1.00 0.00 H new ATOM 0 HG2 GLU A 15 45.037 23.946 58.560 1.00 0.00 H new ATOM 0 HG3 GLU A 15 44.006 23.186 59.756 1.00 0.00 H new ATOM 243 N THR A 16 41.300 22.349 60.420 1.00 0.00 N ATOM 244 CA THR A 16 41.233 21.981 61.846 1.00 0.00 C ATOM 245 C THR A 16 42.528 22.608 62.463 1.00 0.00 C ATOM 246 O THR A 16 43.641 22.154 62.200 1.00 0.00 O ATOM 247 CB THR A 16 41.191 20.445 62.116 1.00 0.00 C ATOM 248 OG1 THR A 16 39.979 19.816 61.684 1.00 0.00 O ATOM 249 CG2 THR A 16 41.317 20.091 63.605 1.00 0.00 C ATOM 0 H THR A 16 41.438 21.555 59.794 1.00 0.00 H new ATOM 0 HA THR A 16 40.305 22.348 62.285 1.00 0.00 H new ATOM 0 HB THR A 16 42.044 20.081 61.543 1.00 0.00 H new ATOM 0 HG1 THR A 16 40.020 18.857 61.881 1.00 0.00 H new ATOM 0 HG21 THR A 16 41.281 19.008 63.726 1.00 0.00 H new ATOM 0 HG22 THR A 16 42.265 20.468 63.990 1.00 0.00 H new ATOM 0 HG23 THR A 16 40.495 20.546 64.158 1.00 0.00 H new ATOM 257 N CYS A 17 42.373 23.659 63.362 1.00 0.00 N ATOM 258 CA CYS A 17 43.542 24.409 63.861 1.00 0.00 C ATOM 259 C CYS A 17 43.690 24.193 65.405 1.00 0.00 C ATOM 260 O CYS A 17 42.727 24.159 66.174 1.00 0.00 O ATOM 261 CB CYS A 17 43.421 25.899 63.568 1.00 0.00 C ATOM 262 SG CYS A 17 45.003 26.737 63.276 1.00 0.00 S ATOM 0 H CYS A 17 41.475 23.975 63.727 1.00 0.00 H new ATOM 0 HA CYS A 17 44.424 24.032 63.344 1.00 0.00 H new ATOM 0 HB2 CYS A 17 42.785 26.034 62.693 1.00 0.00 H new ATOM 0 HB3 CYS A 17 42.917 26.382 64.405 1.00 0.00 H new ATOM 267 N GLN A 18 45.001 24.109 65.848 1.00 0.00 N ATOM 268 CA GLN A 18 45.317 23.779 67.238 1.00 0.00 C ATOM 269 C GLN A 18 45.197 25.002 68.187 1.00 0.00 C ATOM 270 O GLN A 18 44.956 24.778 69.374 1.00 0.00 O ATOM 271 CB GLN A 18 46.710 23.139 67.446 1.00 0.00 C ATOM 272 CG GLN A 18 46.971 21.763 66.796 1.00 0.00 C ATOM 273 CD GLN A 18 45.862 20.757 67.104 1.00 0.00 C ATOM 274 OE1 GLN A 18 44.954 20.513 66.331 1.00 0.00 O ATOM 275 NE2 GLN A 18 45.969 20.132 68.300 1.00 0.00 N ATOM 0 H GLN A 18 45.816 24.266 65.255 1.00 0.00 H new ATOM 0 HA GLN A 18 44.563 23.034 67.492 1.00 0.00 H new ATOM 0 HB2 GLN A 18 47.459 23.836 67.069 1.00 0.00 H new ATOM 0 HB3 GLN A 18 46.877 23.041 68.519 1.00 0.00 H new ATOM 0 HG2 GLN A 18 47.059 21.884 65.716 1.00 0.00 H new ATOM 0 HG3 GLN A 18 47.924 21.370 67.151 1.00 0.00 H new ATOM 0 HE21 GLN A 18 46.742 20.358 68.926 1.00 0.00 H new ATOM 0 HE22 GLN A 18 45.277 19.435 68.575 1.00 0.00 H new ATOM 284 N GLU A 19 45.405 26.299 67.720 1.00 0.00 N ATOM 285 CA GLU A 19 45.185 27.418 68.655 1.00 0.00 C ATOM 286 C GLU A 19 43.698 27.322 69.141 1.00 0.00 C ATOM 287 O GLU A 19 42.761 27.164 68.362 1.00 0.00 O ATOM 288 CB GLU A 19 45.358 28.856 68.105 1.00 0.00 C ATOM 289 CG GLU A 19 46.809 29.372 68.045 1.00 0.00 C ATOM 290 CD GLU A 19 47.626 28.568 67.040 1.00 0.00 C ATOM 291 OE1 GLU A 19 47.409 28.492 65.851 1.00 0.00 O ATOM 292 OE2 GLU A 19 48.645 27.946 67.632 1.00 0.00 O ATOM 0 H GLU A 19 45.700 26.553 66.777 1.00 0.00 H new ATOM 0 HA GLU A 19 45.956 27.297 69.416 1.00 0.00 H new ATOM 0 HB2 GLU A 19 44.935 28.896 67.101 1.00 0.00 H new ATOM 0 HB3 GLU A 19 44.774 29.536 68.725 1.00 0.00 H new ATOM 0 HG2 GLU A 19 46.814 30.426 67.765 1.00 0.00 H new ATOM 0 HG3 GLU A 19 47.266 29.302 69.032 1.00 0.00 H new ATOM 300 N ASP A 20 43.540 27.534 70.501 1.00 0.00 N ATOM 301 CA ASP A 20 42.323 27.461 71.309 1.00 0.00 C ATOM 302 C ASP A 20 41.311 28.638 71.105 1.00 0.00 C ATOM 303 O ASP A 20 40.391 28.785 71.917 1.00 0.00 O ATOM 304 CB ASP A 20 41.625 26.087 71.405 1.00 0.00 C ATOM 305 CG ASP A 20 40.847 25.605 70.144 1.00 0.00 C ATOM 306 OD1 ASP A 20 40.248 26.458 69.485 1.00 0.00 O ATOM 307 OD2 ASP A 20 40.856 24.385 69.939 1.00 0.00 O ATOM 0 H ASP A 20 44.345 27.778 71.078 1.00 0.00 H new ATOM 0 HA ASP A 20 42.749 27.602 72.302 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.380 25.338 71.645 1.00 0.00 H new ATOM 0 HB3 ASP A 20 40.929 26.117 72.243 1.00 0.00 H new ATOM 312 N SER A 21 41.518 29.547 70.093 1.00 0.00 N ATOM 313 CA SER A 21 40.653 30.686 69.854 1.00 0.00 C ATOM 314 C SER A 21 40.924 31.173 68.408 1.00 0.00 C ATOM 315 O SER A 21 42.030 31.019 67.879 1.00 0.00 O ATOM 316 CB SER A 21 40.918 31.872 70.825 1.00 0.00 C ATOM 317 OG SER A 21 40.449 31.664 72.152 1.00 0.00 O ATOM 0 H SER A 21 42.297 29.482 69.438 1.00 0.00 H new ATOM 0 HA SER A 21 39.623 30.367 70.012 1.00 0.00 H new ATOM 0 HB2 SER A 21 41.990 32.065 70.858 1.00 0.00 H new ATOM 0 HB3 SER A 21 40.445 32.768 70.422 1.00 0.00 H new ATOM 0 HG SER A 21 40.238 30.716 72.279 1.00 0.00 H new ATOM 323 N CYS A 22 39.873 31.790 67.751 1.00 0.00 N ATOM 324 CA CYS A 22 40.112 32.238 66.395 1.00 0.00 C ATOM 325 C CYS A 22 39.284 33.491 66.020 1.00 0.00 C ATOM 326 O CYS A 22 38.214 33.787 66.550 1.00 0.00 O ATOM 327 CB CYS A 22 39.985 31.079 65.366 1.00 0.00 C ATOM 328 SG CYS A 22 38.309 30.650 64.814 1.00 0.00 S ATOM 0 H CYS A 22 38.942 31.961 68.130 1.00 0.00 H new ATOM 0 HA CYS A 22 41.151 32.564 66.352 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.575 31.339 64.487 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.437 30.188 65.801 1.00 0.00 H new ATOM 333 N TYR A 23 39.890 34.250 65.040 1.00 0.00 N ATOM 334 CA TYR A 23 39.501 35.640 64.797 1.00 0.00 C ATOM 335 C TYR A 23 39.023 35.924 63.353 1.00 0.00 C ATOM 336 O TYR A 23 39.371 35.238 62.394 1.00 0.00 O ATOM 337 CB TYR A 23 40.716 36.561 65.148 1.00 0.00 C ATOM 338 CG TYR A 23 41.905 36.346 64.235 1.00 0.00 C ATOM 339 CD1 TYR A 23 41.924 36.883 62.952 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.023 35.616 64.635 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.008 36.732 62.103 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.121 35.453 63.803 1.00 0.00 C ATOM 343 CZ TYR A 23 44.131 36.018 62.516 1.00 0.00 C ATOM 344 OH TYR A 23 45.221 35.839 61.719 1.00 0.00 O ATOM 0 H TYR A 23 40.633 33.907 64.431 1.00 0.00 H new ATOM 0 HA TYR A 23 38.641 35.848 65.434 1.00 0.00 H new ATOM 0 HB2 TYR A 23 40.403 37.604 65.089 1.00 0.00 H new ATOM 0 HB3 TYR A 23 41.019 36.377 66.179 1.00 0.00 H new ATOM 0 HD1 TYR A 23 41.064 37.437 62.606 1.00 0.00 H new ATOM 0 HD2 TYR A 23 43.035 35.166 65.617 1.00 0.00 H new ATOM 0 HE1 TYR A 23 42.983 37.170 61.116 1.00 0.00 H new ATOM 0 HE2 TYR A 23 44.975 34.888 64.147 1.00 0.00 H new ATOM 0 HH TYR A 23 45.894 35.313 62.199 1.00 0.00 H new ATOM 354 N LYS A 24 38.217 37.040 63.260 1.00 0.00 N ATOM 355 CA LYS A 24 37.475 37.480 62.078 1.00 0.00 C ATOM 356 C LYS A 24 38.254 38.723 61.534 1.00 0.00 C ATOM 357 O LYS A 24 38.281 39.813 62.106 1.00 0.00 O ATOM 358 CB LYS A 24 36.059 37.833 62.552 1.00 0.00 C ATOM 359 CG LYS A 24 35.319 36.768 63.399 1.00 0.00 C ATOM 360 CD LYS A 24 34.771 35.536 62.671 1.00 0.00 C ATOM 361 CE LYS A 24 34.197 34.557 63.705 1.00 0.00 C ATOM 362 NZ LYS A 24 33.231 33.559 63.080 1.00 0.00 N ATOM 0 H LYS A 24 38.079 37.665 64.054 1.00 0.00 H new ATOM 0 HA LYS A 24 37.390 36.735 61.287 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.116 38.752 63.136 1.00 0.00 H new ATOM 0 HB3 LYS A 24 35.451 38.050 61.674 1.00 0.00 H new ATOM 0 HG2 LYS A 24 36.002 36.423 64.175 1.00 0.00 H new ATOM 0 HG3 LYS A 24 34.486 37.259 63.902 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.997 35.831 61.962 1.00 0.00 H new ATOM 0 HD3 LYS A 24 35.563 35.055 62.097 1.00 0.00 H new ATOM 0 HE2 LYS A 24 35.014 34.018 64.184 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.683 35.117 64.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.257 33.799 63.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.316 33.595 62.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.459 32.600 63.413 1.00 0.00 H new ATOM 376 N ASN A 25 38.892 38.526 60.328 1.00 0.00 N ATOM 377 CA ASN A 25 39.754 39.525 59.676 1.00 0.00 C ATOM 378 C ASN A 25 38.897 39.827 58.393 1.00 0.00 C ATOM 379 O ASN A 25 38.867 39.039 57.450 1.00 0.00 O ATOM 380 CB ASN A 25 41.128 38.948 59.390 1.00 0.00 C ATOM 381 CG ASN A 25 42.360 39.854 59.415 1.00 0.00 C ATOM 382 OD1 ASN A 25 43.490 39.412 59.511 1.00 0.00 O ATOM 383 ND2 ASN A 25 42.122 41.177 59.330 1.00 0.00 N ATOM 0 H ASN A 25 38.808 37.659 59.797 1.00 0.00 H new ATOM 0 HA ASN A 25 39.986 40.419 60.255 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.300 38.148 60.110 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.086 38.485 58.404 1.00 0.00 H new ATOM 0 HD21 ASN A 25 42.899 41.837 59.345 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.164 41.519 59.250 1.00 0.00 H new ATOM 390 N ILE A 26 38.154 40.997 58.396 1.00 0.00 N ATOM 391 CA ILE A 26 37.065 41.303 57.443 1.00 0.00 C ATOM 392 C ILE A 26 37.326 42.691 56.761 1.00 0.00 C ATOM 393 O ILE A 26 36.452 43.530 56.569 1.00 0.00 O ATOM 394 CB ILE A 26 35.706 41.162 58.176 1.00 0.00 C ATOM 395 CG1 ILE A 26 35.194 42.329 59.066 1.00 0.00 C ATOM 396 CG2 ILE A 26 35.659 39.856 59.005 1.00 0.00 C ATOM 397 CD1 ILE A 26 36.154 42.900 60.116 1.00 0.00 C ATOM 0 H ILE A 26 38.313 41.744 59.073 1.00 0.00 H new ATOM 0 HA ILE A 26 37.033 40.592 56.617 1.00 0.00 H new ATOM 0 HB ILE A 26 35.018 41.165 57.330 1.00 0.00 H new ATOM 0 HG12 ILE A 26 34.893 43.145 58.409 1.00 0.00 H new ATOM 0 HG13 ILE A 26 34.297 41.988 59.582 1.00 0.00 H new ATOM 0 HG21 ILE A 26 34.696 39.780 59.510 1.00 0.00 H new ATOM 0 HG22 ILE A 26 35.790 39.000 58.343 1.00 0.00 H new ATOM 0 HG23 ILE A 26 36.458 39.867 59.747 1.00 0.00 H new ATOM 0 HD11 ILE A 26 35.661 43.706 60.660 1.00 0.00 H new ATOM 0 HD12 ILE A 26 36.440 42.113 60.814 1.00 0.00 H new ATOM 0 HD13 ILE A 26 37.045 43.288 59.622 1.00 0.00 H new ATOM 409 N TRP A 27 38.632 42.835 56.334 1.00 0.00 N ATOM 410 CA TRP A 27 39.237 44.099 55.973 1.00 0.00 C ATOM 411 C TRP A 27 40.664 43.737 55.387 1.00 0.00 C ATOM 412 O TRP A 27 40.807 43.453 54.202 1.00 0.00 O ATOM 413 CB TRP A 27 39.296 45.132 57.156 1.00 0.00 C ATOM 414 CG TRP A 27 39.477 44.565 58.542 1.00 0.00 C ATOM 415 CD1 TRP A 27 39.955 43.272 58.839 1.00 0.00 C ATOM 416 CD2 TRP A 27 39.115 45.072 59.789 1.00 0.00 C ATOM 417 NE1 TRP A 27 39.839 42.935 60.157 1.00 0.00 N ATOM 418 CE2 TRP A 27 39.334 44.079 60.747 1.00 0.00 C ATOM 419 CE3 TRP A 27 38.504 46.276 60.214 1.00 0.00 C ATOM 420 CZ2 TRP A 27 39.009 44.178 62.061 1.00 0.00 C ATOM 421 CZ3 TRP A 27 38.171 46.422 61.553 1.00 0.00 C ATOM 422 CH2 TRP A 27 38.429 45.384 62.473 1.00 0.00 C ATOM 0 H TRP A 27 39.270 42.045 56.243 1.00 0.00 H new ATOM 0 HA TRP A 27 38.629 44.619 55.233 1.00 0.00 H new ATOM 0 HB2 TRP A 27 40.115 45.825 56.962 1.00 0.00 H new ATOM 0 HB3 TRP A 27 38.375 45.715 57.145 1.00 0.00 H new ATOM 0 HD1 TRP A 27 40.373 42.611 58.094 1.00 0.00 H new ATOM 0 HE1 TRP A 27 40.071 42.047 60.602 1.00 0.00 H new ATOM 0 HE3 TRP A 27 38.300 47.068 59.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 39.188 43.368 62.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 37.711 47.338 61.894 1.00 0.00 H new ATOM 0 HH2 TRP A 27 38.175 45.522 63.513 1.00 0.00 H new ATOM 433 N THR A 28 41.741 43.746 56.263 1.00 0.00 N ATOM 434 CA THR A 28 43.129 43.347 55.944 1.00 0.00 C ATOM 435 C THR A 28 43.813 44.619 55.275 1.00 0.00 C ATOM 436 O THR A 28 44.203 45.558 55.965 1.00 0.00 O ATOM 437 CB THR A 28 43.374 42.002 55.197 1.00 0.00 C ATOM 438 OG1 THR A 28 44.741 41.582 55.163 1.00 0.00 O ATOM 439 CG2 THR A 28 42.528 40.814 55.682 1.00 0.00 C ATOM 0 H THR A 28 41.638 44.044 57.233 1.00 0.00 H new ATOM 0 HA THR A 28 43.610 43.066 56.881 1.00 0.00 H new ATOM 0 HB THR A 28 43.050 42.267 54.190 1.00 0.00 H new ATOM 0 HG1 THR A 28 44.945 41.204 54.282 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.776 39.928 55.097 1.00 0.00 H new ATOM 0 HG22 THR A 28 42.737 40.624 56.735 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.470 41.046 55.559 1.00 0.00 H new ATOM 447 N PHE A 29 43.991 44.619 53.899 1.00 0.00 N ATOM 448 CA PHE A 29 44.485 45.780 53.150 1.00 0.00 C ATOM 449 C PHE A 29 43.790 45.794 51.740 1.00 0.00 C ATOM 450 O PHE A 29 43.635 46.857 51.140 1.00 0.00 O ATOM 451 CB PHE A 29 46.015 45.888 53.048 1.00 0.00 C ATOM 452 CG PHE A 29 46.474 47.215 52.467 1.00 0.00 C ATOM 453 CD1 PHE A 29 46.503 48.372 53.253 1.00 0.00 C ATOM 454 CD2 PHE A 29 46.905 47.316 51.141 1.00 0.00 C ATOM 455 CE1 PHE A 29 46.932 49.595 52.735 1.00 0.00 C ATOM 456 CE2 PHE A 29 47.333 48.532 50.605 1.00 0.00 C ATOM 457 CZ PHE A 29 47.347 49.683 51.401 1.00 0.00 C ATOM 0 H PHE A 29 43.790 43.810 53.312 1.00 0.00 H new ATOM 0 HA PHE A 29 44.214 46.671 53.717 1.00 0.00 H new ATOM 0 HB2 PHE A 29 46.451 45.760 54.039 1.00 0.00 H new ATOM 0 HB3 PHE A 29 46.392 45.075 52.427 1.00 0.00 H new ATOM 0 HD1 PHE A 29 46.186 48.318 54.284 1.00 0.00 H new ATOM 0 HD2 PHE A 29 46.907 46.434 50.518 1.00 0.00 H new ATOM 0 HE1 PHE A 29 46.944 50.473 53.363 1.00 0.00 H new ATOM 0 HE2 PHE A 29 47.654 48.584 49.575 1.00 0.00 H new ATOM 0 HZ PHE A 29 47.674 50.627 50.991 1.00 0.00 H new ATOM 467 N ASP A 30 43.314 44.602 51.227 1.00 0.00 N ATOM 468 CA ASP A 30 42.597 44.359 49.989 1.00 0.00 C ATOM 469 C ASP A 30 41.041 44.526 50.131 1.00 0.00 C ATOM 470 O ASP A 30 40.372 44.580 49.097 1.00 0.00 O ATOM 471 CB ASP A 30 42.980 42.959 49.471 1.00 0.00 C ATOM 472 CG ASP A 30 43.047 41.734 50.434 1.00 0.00 C ATOM 473 OD1 ASP A 30 43.100 41.944 51.651 1.00 0.00 O ATOM 474 OD2 ASP A 30 43.116 40.646 49.847 1.00 0.00 O ATOM 0 H ASP A 30 43.453 43.733 51.742 1.00 0.00 H new ATOM 0 HA ASP A 30 42.893 45.117 49.264 1.00 0.00 H new ATOM 0 HB2 ASP A 30 42.271 42.706 48.682 1.00 0.00 H new ATOM 0 HB3 ASP A 30 43.960 43.050 49.002 1.00 0.00 H new ATOM 479 N ASN A 31 40.438 44.659 51.377 1.00 0.00 N ATOM 480 CA ASN A 31 38.994 44.817 51.618 1.00 0.00 C ATOM 481 C ASN A 31 38.369 43.403 51.369 1.00 0.00 C ATOM 482 O ASN A 31 37.541 43.227 50.479 1.00 0.00 O ATOM 483 CB ASN A 31 38.346 46.000 50.870 1.00 0.00 C ATOM 484 CG ASN A 31 39.119 47.292 51.128 1.00 0.00 C ATOM 485 OD1 ASN A 31 38.983 47.955 52.140 1.00 0.00 O ATOM 486 ND2 ASN A 31 39.972 47.652 50.141 1.00 0.00 N ATOM 0 H ASN A 31 40.980 44.656 52.241 1.00 0.00 H new ATOM 0 HA ASN A 31 38.789 45.126 52.643 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.323 45.792 49.800 1.00 0.00 H new ATOM 0 HB3 ASN A 31 37.312 46.119 51.194 1.00 0.00 H new ATOM 0 HD21 ASN A 31 40.527 48.503 50.232 1.00 0.00 H new ATOM 0 HD22 ASN A 31 40.060 47.072 49.307 1.00 0.00 H new ATOM 493 N ILE A 32 38.769 42.395 52.244 1.00 0.00 N ATOM 494 CA ILE A 32 38.421 40.986 52.013 1.00 0.00 C ATOM 495 C ILE A 32 38.264 40.173 53.350 1.00 0.00 C ATOM 496 O ILE A 32 38.788 40.569 54.388 1.00 0.00 O ATOM 497 CB ILE A 32 39.506 40.257 51.155 1.00 0.00 C ATOM 498 CG1 ILE A 32 38.997 39.169 50.189 1.00 0.00 C ATOM 499 CG2 ILE A 32 40.619 39.623 52.020 1.00 0.00 C ATOM 500 CD1 ILE A 32 38.070 39.656 49.069 1.00 0.00 C ATOM 0 H ILE A 32 39.319 42.559 53.087 1.00 0.00 H new ATOM 0 HA ILE A 32 37.467 41.014 51.486 1.00 0.00 H new ATOM 0 HB ILE A 32 39.890 41.077 50.547 1.00 0.00 H new ATOM 0 HG12 ILE A 32 39.859 38.680 49.735 1.00 0.00 H new ATOM 0 HG13 ILE A 32 38.469 38.412 50.769 1.00 0.00 H new ATOM 0 HG21 ILE A 32 41.346 39.130 51.374 1.00 0.00 H new ATOM 0 HG22 ILE A 32 41.117 40.401 52.599 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.180 38.891 52.698 1.00 0.00 H new ATOM 0 HD11 ILE A 32 37.772 38.810 48.450 1.00 0.00 H new ATOM 0 HD12 ILE A 32 37.183 40.116 49.505 1.00 0.00 H new ATOM 0 HD13 ILE A 32 38.595 40.388 48.455 1.00 0.00 H new ATOM 512 N ILE A 33 37.562 38.974 53.291 1.00 0.00 N ATOM 513 CA ILE A 33 37.465 38.097 54.486 1.00 0.00 C ATOM 514 C ILE A 33 38.607 37.034 54.296 1.00 0.00 C ATOM 515 O ILE A 33 38.540 36.171 53.424 1.00 0.00 O ATOM 516 CB ILE A 33 36.127 37.404 54.791 1.00 0.00 C ATOM 517 CG1 ILE A 33 34.904 38.335 55.023 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.245 36.497 56.042 1.00 0.00 C ATOM 519 CD1 ILE A 33 34.581 39.425 53.988 1.00 0.00 C ATOM 0 H ILE A 33 37.084 38.624 52.461 1.00 0.00 H new ATOM 0 HA ILE A 33 37.559 38.742 55.360 1.00 0.00 H new ATOM 0 HB ILE A 33 35.934 36.844 53.876 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.023 37.701 55.117 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.045 38.828 55.985 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.285 36.018 56.236 1.00 0.00 H new ATOM 0 HG22 ILE A 33 37.003 35.733 55.867 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.530 37.101 56.904 1.00 0.00 H new ATOM 0 HD11 ILE A 33 33.699 39.980 54.307 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.427 40.107 53.902 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.388 38.962 53.020 1.00 0.00 H new ATOM 531 N ARG A 34 39.701 37.096 55.149 1.00 0.00 N ATOM 532 CA ARG A 34 40.849 36.204 54.970 1.00 0.00 C ATOM 533 C ARG A 34 41.529 36.227 56.363 1.00 0.00 C ATOM 534 O ARG A 34 42.366 37.055 56.713 1.00 0.00 O ATOM 535 CB ARG A 34 41.797 36.608 53.841 1.00 0.00 C ATOM 536 CG ARG A 34 43.021 35.693 53.665 1.00 0.00 C ATOM 537 CD ARG A 34 43.681 35.900 52.291 1.00 0.00 C ATOM 538 NE ARG A 34 44.364 37.168 51.953 1.00 0.00 N ATOM 539 CZ ARG A 34 44.425 38.286 52.660 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.660 38.273 53.946 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.284 39.428 52.049 1.00 0.00 N ATOM 0 H ARG A 34 39.782 37.743 55.933 1.00 0.00 H new ATOM 0 HA ARG A 34 40.540 35.208 54.653 1.00 0.00 H new ATOM 0 HB2 ARG A 34 41.238 36.626 52.906 1.00 0.00 H new ATOM 0 HB3 ARG A 34 42.145 37.625 54.024 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.746 35.896 54.453 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.717 34.652 53.772 1.00 0.00 H new ATOM 0 HD2 ARG A 34 44.412 35.101 52.165 1.00 0.00 H new ATOM 0 HD3 ARG A 34 42.907 35.745 51.539 1.00 0.00 H new ATOM 0 HE ARG A 34 44.852 37.183 51.058 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.802 37.386 54.430 1.00 0.00 H new ATOM 0 HH12 ARG A 34 44.702 39.150 54.466 1.00 0.00 H new ATOM 0 HH21 ARG A 34 44.129 39.451 51.041 1.00 0.00 H new ATOM 0 HH22 ARG A 34 44.328 40.299 52.579 1.00 0.00 H new ATOM 555 N ARG A 35 41.039 35.241 57.189 1.00 0.00 N ATOM 556 CA ARG A 35 41.149 35.247 58.646 1.00 0.00 C ATOM 557 C ARG A 35 41.872 34.011 59.258 1.00 0.00 C ATOM 558 O ARG A 35 42.487 33.244 58.521 1.00 0.00 O ATOM 559 CB ARG A 35 39.688 35.464 59.097 1.00 0.00 C ATOM 560 CG ARG A 35 38.684 34.346 58.698 1.00 0.00 C ATOM 561 CD ARG A 35 37.199 34.541 59.158 1.00 0.00 C ATOM 562 NE ARG A 35 36.518 33.498 59.962 1.00 0.00 N ATOM 563 CZ ARG A 35 36.979 32.770 60.970 1.00 0.00 C ATOM 564 NH1 ARG A 35 38.216 32.850 61.369 1.00 0.00 N ATOM 565 NH2 ARG A 35 36.167 31.933 61.561 1.00 0.00 N ATOM 0 H ARG A 35 40.554 34.419 56.830 1.00 0.00 H new ATOM 0 HA ARG A 35 41.812 36.029 59.017 1.00 0.00 H new ATOM 0 HB2 ARG A 35 39.674 35.568 60.182 1.00 0.00 H new ATOM 0 HB3 ARG A 35 39.336 36.408 58.681 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.695 34.250 57.612 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.046 33.402 59.105 1.00 0.00 H new ATOM 0 HD2 ARG A 35 37.159 35.467 59.732 1.00 0.00 H new ATOM 0 HD3 ARG A 35 36.601 34.696 58.260 1.00 0.00 H new ATOM 0 HE ARG A 35 35.550 33.313 59.701 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.862 33.487 60.903 1.00 0.00 H new ATOM 0 HH12 ARG A 35 38.539 32.276 62.148 1.00 0.00 H new ATOM 0 HH21 ARG A 35 35.201 31.850 61.245 1.00 0.00 H new ATOM 0 HH22 ARG A 35 36.500 31.363 62.339 1.00 0.00 H new ATOM 579 N GLY A 36 41.853 33.864 60.648 1.00 0.00 N ATOM 580 CA GLY A 36 42.746 32.795 61.121 1.00 0.00 C ATOM 581 C GLY A 36 42.761 32.405 62.606 1.00 0.00 C ATOM 582 O GLY A 36 42.024 32.939 63.425 1.00 0.00 O ATOM 0 H GLY A 36 41.314 34.391 61.335 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.505 31.897 60.553 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.763 33.080 60.851 1.00 0.00 H new ATOM 586 N CYS A 37 43.664 31.395 62.899 1.00 0.00 N ATOM 587 CA CYS A 37 43.843 30.831 64.243 1.00 0.00 C ATOM 588 C CYS A 37 44.792 31.821 65.014 1.00 0.00 C ATOM 589 O CYS A 37 45.952 32.025 64.652 1.00 0.00 O ATOM 590 CB CYS A 37 44.456 29.411 64.203 1.00 0.00 C ATOM 591 SG CYS A 37 44.066 28.480 62.688 1.00 0.00 S ATOM 0 H CYS A 37 44.270 30.972 62.196 1.00 0.00 H new ATOM 0 HA CYS A 37 42.878 30.726 64.739 1.00 0.00 H new ATOM 0 HB2 CYS A 37 45.539 29.491 64.300 1.00 0.00 H new ATOM 0 HB3 CYS A 37 44.099 28.848 65.065 1.00 0.00 H new ATOM 596 N GLY A 38 44.264 32.488 66.113 1.00 0.00 N ATOM 597 CA GLY A 38 45.134 33.388 66.864 1.00 0.00 C ATOM 598 C GLY A 38 44.422 33.601 68.215 1.00 0.00 C ATOM 599 O GLY A 38 44.546 32.783 69.122 1.00 0.00 O ATOM 0 H GLY A 38 43.306 32.407 66.453 1.00 0.00 H new ATOM 0 HA2 GLY A 38 46.124 32.953 67.004 1.00 0.00 H new ATOM 0 HA3 GLY A 38 45.272 34.333 66.338 1.00 0.00 H new ATOM 603 N CYS A 39 43.655 34.747 68.354 1.00 0.00 N ATOM 604 CA CYS A 39 42.893 35.027 69.577 1.00 0.00 C ATOM 605 C CYS A 39 43.770 35.709 70.674 1.00 0.00 C ATOM 606 O CYS A 39 43.331 36.616 71.377 1.00 0.00 O ATOM 607 CB CYS A 39 41.637 35.813 69.214 1.00 0.00 C ATOM 608 SG CYS A 39 40.409 35.938 70.552 1.00 0.00 S ATOM 0 H CYS A 39 43.567 35.462 67.632 1.00 0.00 H new ATOM 0 HA CYS A 39 42.576 34.088 70.031 1.00 0.00 H new ATOM 0 HB2 CYS A 39 41.928 36.819 68.911 1.00 0.00 H new ATOM 0 HB3 CYS A 39 41.167 35.343 68.350 1.00 0.00 H new ATOM 613 N PHE A 40 45.051 35.211 70.813 1.00 0.00 N ATOM 614 CA PHE A 40 45.943 35.586 71.917 1.00 0.00 C ATOM 615 C PHE A 40 46.871 36.735 71.345 1.00 0.00 C ATOM 616 O PHE A 40 48.042 36.518 71.048 1.00 0.00 O ATOM 617 CB PHE A 40 46.636 34.296 72.442 1.00 0.00 C ATOM 618 CG PHE A 40 45.668 33.108 72.596 1.00 0.00 C ATOM 619 CD1 PHE A 40 44.620 33.121 73.527 1.00 0.00 C ATOM 620 CD2 PHE A 40 45.736 31.992 71.744 1.00 0.00 C ATOM 621 CE1 PHE A 40 43.666 32.105 73.581 1.00 0.00 C ATOM 622 CE2 PHE A 40 44.785 30.972 71.781 1.00 0.00 C ATOM 623 CZ PHE A 40 43.747 31.018 72.711 1.00 0.00 C ATOM 0 H PHE A 40 45.466 34.548 70.158 1.00 0.00 H new ATOM 0 HA PHE A 40 45.459 35.996 72.803 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.437 34.017 71.758 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.099 34.507 73.406 1.00 0.00 H new ATOM 0 HD1 PHE A 40 44.549 33.943 74.224 1.00 0.00 H new ATOM 0 HD2 PHE A 40 46.550 31.922 71.038 1.00 0.00 H new ATOM 0 HE1 PHE A 40 42.861 32.160 74.299 1.00 0.00 H new ATOM 0 HE2 PHE A 40 44.853 30.146 71.089 1.00 0.00 H new ATOM 0 HZ PHE A 40 43.017 30.224 72.757 1.00 0.00 H new ATOM 735 N GLY A 48 44.484 44.431 66.576 1.00 0.00 N ATOM 736 CA GLY A 48 44.174 43.135 65.953 1.00 0.00 C ATOM 737 C GLY A 48 42.700 42.981 65.503 1.00 0.00 C ATOM 738 O GLY A 48 41.811 43.711 65.936 1.00 0.00 O ATOM 0 HA2 GLY A 48 44.822 42.997 65.088 1.00 0.00 H new ATOM 0 HA3 GLY A 48 44.411 42.339 66.659 1.00 0.00 H new ATOM 742 N PRO A 49 42.466 41.888 64.681 1.00 0.00 N ATOM 743 CA PRO A 49 41.116 41.418 64.342 1.00 0.00 C ATOM 744 C PRO A 49 40.197 41.218 65.568 1.00 0.00 C ATOM 745 O PRO A 49 40.644 41.018 66.698 1.00 0.00 O ATOM 746 CB PRO A 49 41.392 40.025 63.773 1.00 0.00 C ATOM 747 CG PRO A 49 42.597 40.355 62.903 1.00 0.00 C ATOM 748 CD PRO A 49 43.451 41.166 63.875 1.00 0.00 C ATOM 0 HA PRO A 49 40.614 42.135 63.693 1.00 0.00 H new ATOM 0 HB2 PRO A 49 41.620 39.292 64.547 1.00 0.00 H new ATOM 0 HB3 PRO A 49 40.553 39.632 63.198 1.00 0.00 H new ATOM 0 HG2 PRO A 49 43.110 39.459 62.553 1.00 0.00 H new ATOM 0 HG3 PRO A 49 42.321 40.930 62.019 1.00 0.00 H new ATOM 0 HD2 PRO A 49 44.078 40.522 64.491 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.117 41.850 63.349 1.00 0.00 H new ATOM 756 N TYR A 50 38.846 41.214 65.279 1.00 0.00 N ATOM 757 CA TYR A 50 37.876 40.989 66.371 1.00 0.00 C ATOM 758 C TYR A 50 37.636 39.447 66.543 1.00 0.00 C ATOM 759 O TYR A 50 37.754 38.705 65.567 1.00 0.00 O ATOM 760 CB TYR A 50 36.524 41.780 66.251 1.00 0.00 C ATOM 761 CG TYR A 50 35.599 41.244 65.188 1.00 0.00 C ATOM 762 CD1 TYR A 50 34.776 40.151 65.454 1.00 0.00 C ATOM 763 CD2 TYR A 50 35.506 41.827 63.929 1.00 0.00 C ATOM 764 CE1 TYR A 50 33.917 39.637 64.500 1.00 0.00 C ATOM 765 CE2 TYR A 50 34.669 41.310 62.949 1.00 0.00 C ATOM 766 CZ TYR A 50 33.870 40.196 63.210 1.00 0.00 C ATOM 767 OH TYR A 50 33.080 39.613 62.266 1.00 0.00 O ATOM 0 H TYR A 50 38.442 41.356 64.353 1.00 0.00 H new ATOM 0 HA TYR A 50 38.331 41.405 67.270 1.00 0.00 H new ATOM 0 HB2 TYR A 50 36.012 41.754 67.213 1.00 0.00 H new ATOM 0 HB3 TYR A 50 36.743 42.826 66.035 1.00 0.00 H new ATOM 0 HD1 TYR A 50 34.810 39.693 66.432 1.00 0.00 H new ATOM 0 HD2 TYR A 50 36.099 42.702 63.708 1.00 0.00 H new ATOM 0 HE1 TYR A 50 33.279 38.802 64.747 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.636 41.775 61.975 1.00 0.00 H new ATOM 0 HH TYR A 50 33.151 40.113 61.426 1.00 0.00 H new ATOM 777 N CYS A 51 37.289 38.949 67.808 1.00 0.00 N ATOM 778 CA CYS A 51 37.403 37.499 67.962 1.00 0.00 C ATOM 779 C CYS A 51 36.560 36.754 69.043 1.00 0.00 C ATOM 780 O CYS A 51 35.956 37.334 69.938 1.00 0.00 O ATOM 781 CB CYS A 51 38.895 37.154 68.219 1.00 0.00 C ATOM 782 SG CYS A 51 39.538 37.664 69.855 1.00 0.00 S ATOM 0 H CYS A 51 36.971 39.484 68.616 1.00 0.00 H new ATOM 0 HA CYS A 51 36.977 37.137 67.026 1.00 0.00 H new ATOM 0 HB2 CYS A 51 39.026 36.077 68.114 1.00 0.00 H new ATOM 0 HB3 CYS A 51 39.500 37.626 67.445 1.00 0.00 H new ATOM 787 N CYS A 52 36.593 35.380 68.873 1.00 0.00 N ATOM 788 CA CYS A 52 35.805 34.406 69.621 1.00 0.00 C ATOM 789 C CYS A 52 36.601 33.089 69.960 1.00 0.00 C ATOM 790 O CYS A 52 37.785 32.975 69.654 1.00 0.00 O ATOM 791 CB CYS A 52 34.607 34.081 68.741 1.00 0.00 C ATOM 792 SG CYS A 52 33.269 33.176 69.558 1.00 0.00 S ATOM 0 H CYS A 52 37.199 34.940 68.181 1.00 0.00 H new ATOM 0 HA CYS A 52 35.521 34.827 70.586 1.00 0.00 H new ATOM 0 HB2 CYS A 52 34.204 35.013 68.346 1.00 0.00 H new ATOM 0 HB3 CYS A 52 34.952 33.496 67.888 1.00 0.00 H new ATOM 797 N GLU A 53 35.886 32.071 70.574 1.00 0.00 N ATOM 798 CA GLU A 53 36.535 30.810 70.966 1.00 0.00 C ATOM 799 C GLU A 53 35.605 29.561 70.803 1.00 0.00 C ATOM 800 O GLU A 53 35.807 28.535 71.455 1.00 0.00 O ATOM 801 CB GLU A 53 37.128 30.897 72.387 1.00 0.00 C ATOM 802 CG GLU A 53 36.140 31.320 73.507 1.00 0.00 C ATOM 803 CD GLU A 53 35.863 32.820 73.480 1.00 0.00 C ATOM 804 OE1 GLU A 53 34.813 33.347 73.175 1.00 0.00 O ATOM 805 OE2 GLU A 53 36.939 33.519 73.847 1.00 0.00 O ATOM 0 H GLU A 53 34.891 32.121 70.791 1.00 0.00 H new ATOM 0 HA GLU A 53 37.359 30.663 70.268 1.00 0.00 H new ATOM 0 HB2 GLU A 53 37.546 29.924 72.646 1.00 0.00 H new ATOM 0 HB3 GLU A 53 37.956 31.606 72.372 1.00 0.00 H new ATOM 0 HG2 GLU A 53 35.203 30.775 73.390 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.551 31.043 74.478 1.00 0.00 H new ATOM 813 N SER A 54 34.624 29.626 69.837 1.00 0.00 N ATOM 814 CA SER A 54 33.660 28.545 69.572 1.00 0.00 C ATOM 815 C SER A 54 33.922 27.835 68.200 1.00 0.00 C ATOM 816 O SER A 54 34.820 28.232 67.460 1.00 0.00 O ATOM 817 CB SER A 54 32.189 29.046 69.661 1.00 0.00 C ATOM 818 OG SER A 54 31.302 27.944 69.845 1.00 0.00 O ATOM 0 H SER A 54 34.497 30.438 69.232 1.00 0.00 H new ATOM 0 HA SER A 54 33.811 27.804 70.357 1.00 0.00 H new ATOM 0 HB2 SER A 54 32.086 29.747 70.489 1.00 0.00 H new ATOM 0 HB3 SER A 54 31.926 29.586 68.751 1.00 0.00 H new ATOM 0 HG SER A 54 30.380 28.272 69.901 1.00 0.00 H new ATOM 824 N ASP A 55 33.138 26.724 67.905 1.00 0.00 N ATOM 825 CA ASP A 55 33.264 26.095 66.579 1.00 0.00 C ATOM 826 C ASP A 55 32.707 27.166 65.565 1.00 0.00 C ATOM 827 O ASP A 55 31.531 27.530 65.592 1.00 0.00 O ATOM 828 CB ASP A 55 32.507 24.760 66.394 1.00 0.00 C ATOM 829 CG ASP A 55 32.753 24.257 64.947 1.00 0.00 C ATOM 830 OD1 ASP A 55 33.943 24.208 64.603 1.00 0.00 O ATOM 831 OD2 ASP A 55 31.762 24.014 64.255 1.00 0.00 O ATOM 0 H ASP A 55 32.465 26.291 68.538 1.00 0.00 H new ATOM 0 HA ASP A 55 34.308 25.822 66.425 1.00 0.00 H new ATOM 0 HB2 ASP A 55 32.856 24.022 67.117 1.00 0.00 H new ATOM 0 HB3 ASP A 55 31.441 24.900 66.571 1.00 0.00 H new ATOM 836 N LYS A 56 33.613 27.698 64.652 1.00 0.00 N ATOM 837 CA LYS A 56 33.350 28.719 63.639 1.00 0.00 C ATOM 838 C LYS A 56 33.161 30.122 64.311 1.00 0.00 C ATOM 839 O LYS A 56 33.866 31.075 63.984 1.00 0.00 O ATOM 840 CB LYS A 56 32.202 28.445 62.646 1.00 0.00 C ATOM 841 CG LYS A 56 32.155 27.005 62.088 1.00 0.00 C ATOM 842 CD LYS A 56 33.450 26.444 61.473 1.00 0.00 C ATOM 843 CE LYS A 56 33.299 24.984 61.025 1.00 0.00 C ATOM 844 NZ LYS A 56 33.174 24.075 62.258 1.00 0.00 N ATOM 0 H LYS A 56 34.584 27.387 64.632 1.00 0.00 H new ATOM 0 HA LYS A 56 34.244 28.694 63.016 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.254 28.659 63.141 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.290 29.140 61.811 1.00 0.00 H new ATOM 0 HG2 LYS A 56 31.849 26.340 62.896 1.00 0.00 H new ATOM 0 HG3 LYS A 56 31.375 26.963 61.328 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.738 27.056 60.618 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.257 26.516 62.203 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.419 24.877 60.391 1.00 0.00 H new ATOM 0 HE3 LYS A 56 34.160 24.686 60.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 33.343 23.087 61.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 33.876 24.359 62.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.218 24.163 62.659 1.00 0.00 H new ATOM 858 N CYS A 57 32.128 30.221 65.223 1.00 0.00 N ATOM 859 CA CYS A 57 31.674 31.397 65.958 1.00 0.00 C ATOM 860 C CYS A 57 30.996 32.358 64.919 1.00 0.00 C ATOM 861 O CYS A 57 31.309 33.544 64.874 1.00 0.00 O ATOM 862 CB CYS A 57 32.733 32.044 66.857 1.00 0.00 C ATOM 863 SG CYS A 57 31.986 33.291 67.956 1.00 0.00 S ATOM 0 H CYS A 57 31.568 29.402 65.459 1.00 0.00 H new ATOM 0 HA CYS A 57 30.938 31.102 66.706 1.00 0.00 H new ATOM 0 HB2 CYS A 57 33.226 31.277 67.454 1.00 0.00 H new ATOM 0 HB3 CYS A 57 33.502 32.511 66.241 1.00 0.00 H new ATOM 868 N ASN A 58 30.036 31.806 64.081 1.00 0.00 N ATOM 869 CA ASN A 58 29.311 32.498 63.007 1.00 0.00 C ATOM 870 C ASN A 58 30.392 32.946 61.967 1.00 0.00 C ATOM 871 O ASN A 58 30.926 34.052 62.025 1.00 0.00 O ATOM 872 CB ASN A 58 28.354 33.643 63.379 1.00 0.00 C ATOM 873 CG ASN A 58 27.392 33.861 62.206 1.00 0.00 C ATOM 874 OD1 ASN A 58 26.596 33.009 61.853 1.00 0.00 O ATOM 875 ND2 ASN A 58 27.483 35.057 61.586 1.00 0.00 N ATOM 0 H ASN A 58 29.757 30.828 64.163 1.00 0.00 H new ATOM 0 HA ASN A 58 28.591 31.781 62.612 1.00 0.00 H new ATOM 0 HB2 ASN A 58 27.800 33.397 64.285 1.00 0.00 H new ATOM 0 HB3 ASN A 58 28.914 34.555 63.586 1.00 0.00 H new ATOM 0 HD21 ASN A 58 26.874 35.270 60.796 1.00 0.00 H new ATOM 0 HD22 ASN A 58 28.161 35.748 61.908 1.00 0.00 H new ATOM 882 N LEU A 59 30.719 32.015 60.993 1.00 0.00 N ATOM 883 CA LEU A 59 31.650 32.240 59.861 1.00 0.00 C ATOM 884 C LEU A 59 33.110 32.291 60.486 1.00 0.00 C ATOM 885 O LEU A 59 33.659 33.397 60.561 1.00 0.00 O ATOM 886 CB LEU A 59 31.259 33.422 58.956 1.00 0.00 C ATOM 887 CG LEU A 59 31.764 33.402 57.493 1.00 0.00 C ATOM 888 CD1 LEU A 59 31.266 34.668 56.780 1.00 0.00 C ATOM 889 CD2 LEU A 59 33.288 33.313 57.345 1.00 0.00 C ATOM 890 OXT LEU A 59 33.579 31.216 60.874 1.00 0.00 O ATOM 0 H LEU A 59 30.323 31.075 60.992 1.00 0.00 H new ATOM 0 HA LEU A 59 31.603 31.421 59.143 1.00 0.00 H new ATOM 0 HB2 LEU A 59 30.171 33.483 58.935 1.00 0.00 H new ATOM 0 HB3 LEU A 59 31.621 34.337 59.424 1.00 0.00 H new ATOM 0 HG LEU A 59 31.364 32.493 57.044 1.00 0.00 H new ATOM 0 HD11 LEU A 59 31.616 34.666 55.748 1.00 0.00 H new ATOM 0 HD12 LEU A 59 30.176 34.689 56.794 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.652 35.550 57.292 1.00 0.00 H new ATOM 0 HD21 LEU A 59 33.551 33.305 56.287 1.00 0.00 H new ATOM 0 HD22 LEU A 59 33.751 34.174 57.827 1.00 0.00 H new ATOM 0 HD23 LEU A 59 33.646 32.397 57.815 1.00 0.00 H new