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= 0.064 K(o=1.3,f=-0.84) USER MOD Set 1.2: A 13 THR OG1 : rot -68:sc= 1.22 USER MOD Single : A 1 ARG N :NH3+ -174:sc= 2.08 (180deg=1.86) USER MOD Single : A 4 TYR OH : rot 180:sc=-0.00932 USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 9 THR OG1 : rot 31:sc= 0.977 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.62! C(o=-1.6!,f=-3.3!) USER MOD Single : A 21 SER OG : rot 32:sc= 1.05 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 141:sc= -0.379! (180deg=-2.52!) USER MOD Single : A 25 ASN : amide:sc= -1.94 K(o=-1.9,f=-2.9!) USER MOD Single : A 28 THR OG1 : rot -121:sc= 1.31 USER MOD Single : A 31 ASN : amide:sc= -0.0297 X(o=-0.03,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc=-0.00193 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -176:sc= -1.54! (180deg=-2.91!) USER MOD Single : A 58 ASN : amide:sc= -0.0558 X(o=-0.056,f=-0.056) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 40.734 25.779 67.450 1.00 0.00 N ATOM 2 CA ARG A 1 39.415 25.429 66.749 1.00 0.00 C ATOM 3 C ARG A 1 39.570 25.843 65.243 1.00 0.00 C ATOM 4 O ARG A 1 40.657 26.255 64.845 1.00 0.00 O ATOM 5 CB ARG A 1 38.165 25.994 67.488 1.00 0.00 C ATOM 6 CG ARG A 1 36.989 24.982 67.595 1.00 0.00 C ATOM 7 CD ARG A 1 35.838 25.397 68.541 1.00 0.00 C ATOM 8 NE ARG A 1 36.094 25.672 69.977 1.00 0.00 N ATOM 9 CZ ARG A 1 37.018 25.163 70.772 1.00 0.00 C ATOM 10 NH1 ARG A 1 37.612 24.031 70.520 1.00 0.00 N ATOM 11 NH2 ARG A 1 37.326 25.798 71.872 1.00 0.00 N ATOM 0 H1 ARG A 1 40.711 25.428 68.429 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.526 25.336 66.942 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.861 26.811 67.456 1.00 0.00 H new ATOM 0 HA ARG A 1 39.219 24.357 66.785 1.00 0.00 H new ATOM 0 HB2 ARG A 1 38.457 26.305 68.491 1.00 0.00 H new ATOM 0 HB3 ARG A 1 37.818 26.886 66.966 1.00 0.00 H new ATOM 0 HG2 ARG A 1 36.577 24.823 66.598 1.00 0.00 H new ATOM 0 HG3 ARG A 1 37.386 24.025 67.932 1.00 0.00 H new ATOM 0 HD2 ARG A 1 35.385 26.294 68.119 1.00 0.00 H new ATOM 0 HD3 ARG A 1 35.086 24.609 68.495 1.00 0.00 H new ATOM 0 HE ARG A 1 35.468 26.350 70.411 1.00 0.00 H new ATOM 0 HH11 ARG A 1 37.368 23.503 69.682 1.00 0.00 H new ATOM 0 HH12 ARG A 1 38.321 23.673 71.161 1.00 0.00 H new ATOM 0 HH21 ARG A 1 36.855 26.672 72.105 1.00 0.00 H new ATOM 0 HH22 ARG A 1 38.037 25.419 72.497 1.00 0.00 H new ATOM 27 N ILE A 2 38.481 25.665 64.399 1.00 0.00 N ATOM 28 CA ILE A 2 38.611 25.840 62.922 1.00 0.00 C ATOM 29 C ILE A 2 37.937 27.179 62.438 1.00 0.00 C ATOM 30 O ILE A 2 36.772 27.459 62.717 1.00 0.00 O ATOM 31 CB ILE A 2 37.978 24.703 62.060 1.00 0.00 C ATOM 32 CG1 ILE A 2 38.339 23.268 62.531 1.00 0.00 C ATOM 33 CG2 ILE A 2 38.342 24.885 60.557 1.00 0.00 C ATOM 34 CD1 ILE A 2 37.343 22.184 62.083 1.00 0.00 C ATOM 0 H ILE A 2 37.546 25.411 64.716 1.00 0.00 H new ATOM 0 HA ILE A 2 39.690 25.835 62.770 1.00 0.00 H new ATOM 0 HB ILE A 2 36.901 24.800 62.196 1.00 0.00 H new ATOM 0 HG12 ILE A 2 39.329 23.013 62.154 1.00 0.00 H new ATOM 0 HG13 ILE A 2 38.401 23.260 63.619 1.00 0.00 H new ATOM 0 HG21 ILE A 2 37.891 24.082 59.974 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.965 25.845 60.205 1.00 0.00 H new ATOM 0 HG23 ILE A 2 39.425 24.855 60.439 1.00 0.00 H new ATOM 0 HD11 ILE A 2 37.671 21.213 62.454 1.00 0.00 H new ATOM 0 HD12 ILE A 2 36.354 22.411 62.482 1.00 0.00 H new ATOM 0 HD13 ILE A 2 37.297 22.159 60.994 1.00 0.00 H new ATOM 46 N CYS A 3 38.713 27.996 61.625 1.00 0.00 N ATOM 47 CA CYS A 3 38.149 29.132 60.884 1.00 0.00 C ATOM 48 C CYS A 3 38.821 29.216 59.457 1.00 0.00 C ATOM 49 O CYS A 3 39.889 28.658 59.225 1.00 0.00 O ATOM 50 CB CYS A 3 38.317 30.515 61.546 1.00 0.00 C ATOM 51 SG CYS A 3 37.390 30.965 63.065 1.00 0.00 S ATOM 0 H CYS A 3 39.715 27.866 61.487 1.00 0.00 H new ATOM 0 HA CYS A 3 37.079 28.926 60.849 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.376 30.631 61.774 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.070 31.261 60.791 1.00 0.00 H new ATOM 56 N TYR A 4 38.175 29.964 58.482 1.00 0.00 N ATOM 57 CA TYR A 4 38.688 29.989 57.101 1.00 0.00 C ATOM 58 C TYR A 4 39.915 30.939 56.939 1.00 0.00 C ATOM 59 O TYR A 4 40.010 31.977 57.588 1.00 0.00 O ATOM 60 CB TYR A 4 37.609 30.516 56.135 1.00 0.00 C ATOM 61 CG TYR A 4 36.335 29.733 56.323 1.00 0.00 C ATOM 62 CD1 TYR A 4 36.173 28.491 55.728 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.352 30.152 57.214 1.00 0.00 C ATOM 64 CE1 TYR A 4 35.118 27.658 56.054 1.00 0.00 C ATOM 65 CE2 TYR A 4 34.280 29.346 57.548 1.00 0.00 C ATOM 66 CZ TYR A 4 34.145 28.074 56.966 1.00 0.00 C ATOM 67 OH TYR A 4 33.072 27.303 57.294 1.00 0.00 O ATOM 0 H TYR A 4 37.338 30.525 58.642 1.00 0.00 H new ATOM 0 HA TYR A 4 38.976 28.963 56.874 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.427 31.575 56.320 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.954 30.427 55.105 1.00 0.00 H new ATOM 0 HD1 TYR A 4 36.891 28.165 54.990 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.429 31.134 57.657 1.00 0.00 H new ATOM 0 HE1 TYR A 4 35.046 26.680 55.601 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.544 29.695 58.258 1.00 0.00 H new ATOM 0 HH TYR A 4 32.516 27.777 57.947 1.00 0.00 H new ATOM 77 N ASN A 5 40.843 30.578 55.973 1.00 0.00 N ATOM 78 CA ASN A 5 42.010 31.420 55.677 1.00 0.00 C ATOM 79 C ASN A 5 42.127 31.388 54.122 1.00 0.00 C ATOM 80 O ASN A 5 43.137 30.978 53.560 1.00 0.00 O ATOM 81 CB ASN A 5 43.261 30.964 56.428 1.00 0.00 C ATOM 82 CG ASN A 5 44.397 31.977 56.376 1.00 0.00 C ATOM 83 OD1 ASN A 5 44.388 32.987 55.696 1.00 0.00 O ATOM 84 ND2 ASN A 5 45.442 31.665 57.176 1.00 0.00 N ATOM 0 H ASN A 5 40.784 29.726 55.415 1.00 0.00 H new ATOM 0 HA ASN A 5 41.896 32.446 56.027 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.002 30.772 57.469 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.606 30.020 56.006 1.00 0.00 H new ATOM 0 HD21 ASN A 5 46.252 32.283 57.221 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.420 30.811 57.734 1.00 0.00 H new ATOM 91 N HIS A 6 40.992 31.823 53.455 1.00 0.00 N ATOM 92 CA HIS A 6 40.731 31.823 52.001 1.00 0.00 C ATOM 93 C HIS A 6 40.760 33.277 51.395 1.00 0.00 C ATOM 94 O HIS A 6 41.437 34.167 51.903 1.00 0.00 O ATOM 95 CB HIS A 6 41.414 30.685 51.132 1.00 0.00 C ATOM 96 CG HIS A 6 42.736 30.975 50.491 1.00 0.00 C ATOM 97 ND1 HIS A 6 43.590 29.953 50.023 1.00 0.00 N ATOM 98 CD2 HIS A 6 43.376 32.113 50.095 1.00 0.00 C ATOM 99 CE1 HIS A 6 44.679 30.431 49.430 1.00 0.00 C ATOM 100 NE2 HIS A 6 44.556 31.764 49.458 1.00 0.00 N ATOM 0 H HIS A 6 40.200 32.202 53.973 1.00 0.00 H new ATOM 0 HA HIS A 6 39.699 31.484 51.915 1.00 0.00 H new ATOM 0 HB2 HIS A 6 41.539 29.810 51.770 1.00 0.00 H new ATOM 0 HB3 HIS A 6 40.716 30.406 50.342 1.00 0.00 H new ATOM 0 HD2 HIS A 6 43.021 33.121 50.252 1.00 0.00 H new ATOM 0 HE1 HIS A 6 45.495 29.861 49.011 1.00 0.00 H new ATOM 0 HE2 HIS A 6 45.230 32.424 49.069 1.00 0.00 H new ATOM 109 N LEU A 7 39.941 33.516 50.299 1.00 0.00 N ATOM 110 CA LEU A 7 39.757 34.859 49.759 1.00 0.00 C ATOM 111 C LEU A 7 41.088 35.437 49.177 1.00 0.00 C ATOM 112 O LEU A 7 41.994 34.716 48.764 1.00 0.00 O ATOM 113 CB LEU A 7 38.899 35.800 50.630 1.00 0.00 C ATOM 114 CG LEU A 7 37.443 35.332 50.900 1.00 0.00 C ATOM 115 CD1 LEU A 7 37.347 34.234 51.975 1.00 0.00 C ATOM 116 CD2 LEU A 7 36.572 36.547 51.270 1.00 0.00 C ATOM 0 H LEU A 7 39.423 32.789 49.806 1.00 0.00 H new ATOM 0 HA LEU A 7 39.106 34.767 48.890 1.00 0.00 H new ATOM 0 HB2 LEU A 7 39.401 35.935 51.588 1.00 0.00 H new ATOM 0 HB3 LEU A 7 38.863 36.777 50.149 1.00 0.00 H new ATOM 0 HG LEU A 7 37.071 34.879 49.981 1.00 0.00 H new ATOM 0 HD11 LEU A 7 36.303 33.952 52.115 1.00 0.00 H new ATOM 0 HD12 LEU A 7 37.919 33.362 51.657 1.00 0.00 H new ATOM 0 HD13 LEU A 7 37.751 34.609 52.915 1.00 0.00 H new ATOM 0 HD21 LEU A 7 35.550 36.218 51.459 1.00 0.00 H new ATOM 0 HD22 LEU A 7 36.972 37.022 52.166 1.00 0.00 H new ATOM 0 HD23 LEU A 7 36.576 37.262 50.447 1.00 0.00 H new ATOM 128 N GLY A 8 41.095 36.807 48.978 1.00 0.00 N ATOM 129 CA GLY A 8 42.149 37.442 48.181 1.00 0.00 C ATOM 130 C GLY A 8 41.761 37.363 46.687 1.00 0.00 C ATOM 131 O GLY A 8 41.799 38.363 45.977 1.00 0.00 O ATOM 0 H GLY A 8 40.397 37.448 49.355 1.00 0.00 H new ATOM 0 HA2 GLY A 8 42.276 38.482 48.483 1.00 0.00 H new ATOM 0 HA3 GLY A 8 43.103 36.942 48.350 1.00 0.00 H new ATOM 135 N THR A 9 41.432 36.101 46.223 1.00 0.00 N ATOM 136 CA THR A 9 41.115 35.761 44.843 1.00 0.00 C ATOM 137 C THR A 9 40.697 34.259 44.824 1.00 0.00 C ATOM 138 O THR A 9 39.731 33.902 44.154 1.00 0.00 O ATOM 139 CB THR A 9 42.283 35.936 43.819 1.00 0.00 C ATOM 140 OG1 THR A 9 42.547 37.310 43.516 1.00 0.00 O ATOM 141 CG2 THR A 9 42.069 35.278 42.448 1.00 0.00 C ATOM 0 H THR A 9 41.388 35.293 46.844 1.00 0.00 H new ATOM 0 HA THR A 9 40.334 36.453 44.529 1.00 0.00 H new ATOM 0 HB THR A 9 43.103 35.446 44.344 1.00 0.00 H new ATOM 0 HG1 THR A 9 42.333 37.864 44.296 1.00 0.00 H new ATOM 0 HG21 THR A 9 42.939 35.461 41.817 1.00 0.00 H new ATOM 0 HG22 THR A 9 41.934 34.204 42.577 1.00 0.00 H new ATOM 0 HG23 THR A 9 41.182 35.701 41.976 1.00 0.00 H new ATOM 149 N LYS A 10 41.459 33.375 45.577 1.00 0.00 N ATOM 150 CA LYS A 10 41.296 31.900 45.585 1.00 0.00 C ATOM 151 C LYS A 10 40.569 31.423 46.917 1.00 0.00 C ATOM 152 O LYS A 10 41.154 31.546 47.986 1.00 0.00 O ATOM 153 CB LYS A 10 42.685 31.215 45.524 1.00 0.00 C ATOM 154 CG LYS A 10 43.376 31.223 44.133 1.00 0.00 C ATOM 155 CD LYS A 10 42.650 30.398 43.040 1.00 0.00 C ATOM 156 CE LYS A 10 43.464 30.310 41.736 1.00 0.00 C ATOM 157 NZ LYS A 10 42.659 29.682 40.591 1.00 0.00 N ATOM 0 H LYS A 10 42.206 33.693 46.195 1.00 0.00 H new ATOM 0 HA LYS A 10 40.696 31.624 44.718 1.00 0.00 H new ATOM 0 HB2 LYS A 10 43.344 31.706 46.240 1.00 0.00 H new ATOM 0 HB3 LYS A 10 42.575 30.181 45.849 1.00 0.00 H new ATOM 0 HG2 LYS A 10 43.462 32.255 43.792 1.00 0.00 H new ATOM 0 HG3 LYS A 10 44.390 30.839 44.245 1.00 0.00 H new ATOM 0 HD2 LYS A 10 42.458 29.392 43.414 1.00 0.00 H new ATOM 0 HD3 LYS A 10 41.681 30.850 42.831 1.00 0.00 H new ATOM 0 HE2 LYS A 10 43.789 31.309 41.444 1.00 0.00 H new ATOM 0 HE3 LYS A 10 44.364 29.721 41.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 43.247 29.643 39.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 42.371 28.719 40.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 41.813 30.258 40.405 1.00 0.00 H new ATOM 171 N PRO A 11 39.329 30.755 46.850 1.00 0.00 N ATOM 172 CA PRO A 11 38.641 30.327 48.112 1.00 0.00 C ATOM 173 C PRO A 11 38.840 28.873 48.745 1.00 0.00 C ATOM 174 O PRO A 11 38.139 28.645 49.731 1.00 0.00 O ATOM 175 CB PRO A 11 37.140 30.608 47.881 1.00 0.00 C ATOM 176 CG PRO A 11 37.172 31.768 46.886 1.00 0.00 C ATOM 177 CD PRO A 11 38.287 31.294 45.960 1.00 0.00 C ATOM 0 HA PRO A 11 39.147 30.903 48.887 1.00 0.00 H new ATOM 0 HB2 PRO A 11 36.622 29.739 47.475 1.00 0.00 H new ATOM 0 HB3 PRO A 11 36.631 30.880 48.806 1.00 0.00 H new ATOM 0 HG2 PRO A 11 36.223 31.896 46.364 1.00 0.00 H new ATOM 0 HG3 PRO A 11 37.404 32.720 47.364 1.00 0.00 H new ATOM 0 HD2 PRO A 11 37.927 30.532 45.269 1.00 0.00 H new ATOM 0 HD3 PRO A 11 38.672 32.115 45.356 1.00 0.00 H new ATOM 185 N PRO A 12 39.836 27.952 48.380 1.00 0.00 N ATOM 186 CA PRO A 12 39.833 26.603 49.010 1.00 0.00 C ATOM 187 C PRO A 12 40.450 26.299 50.421 1.00 0.00 C ATOM 188 O PRO A 12 40.087 25.243 50.946 1.00 0.00 O ATOM 189 CB PRO A 12 40.660 25.741 48.036 1.00 0.00 C ATOM 190 CG PRO A 12 40.219 26.291 46.682 1.00 0.00 C ATOM 191 CD PRO A 12 40.216 27.794 46.970 1.00 0.00 C ATOM 0 HA PRO A 12 38.772 26.429 49.188 1.00 0.00 H new ATOM 0 HB2 PRO A 12 41.732 25.858 48.195 1.00 0.00 H new ATOM 0 HB3 PRO A 12 40.436 24.679 48.139 1.00 0.00 H new ATOM 0 HG2 PRO A 12 40.911 26.025 45.883 1.00 0.00 H new ATOM 0 HG3 PRO A 12 39.236 25.925 46.388 1.00 0.00 H new ATOM 0 HD2 PRO A 12 41.199 28.226 46.783 1.00 0.00 H new ATOM 0 HD3 PRO A 12 39.512 28.312 46.319 1.00 0.00 H new ATOM 199 N THR A 13 41.379 27.117 51.057 1.00 0.00 N ATOM 200 CA THR A 13 41.997 26.684 52.336 1.00 0.00 C ATOM 201 C THR A 13 41.314 27.196 53.650 1.00 0.00 C ATOM 202 O THR A 13 40.774 28.293 53.761 1.00 0.00 O ATOM 203 CB THR A 13 43.514 27.000 52.464 1.00 0.00 C ATOM 204 OG1 THR A 13 43.868 28.378 52.451 1.00 0.00 O ATOM 205 CG2 THR A 13 44.373 26.337 51.365 1.00 0.00 C ATOM 0 H THR A 13 41.688 28.025 50.711 1.00 0.00 H new ATOM 0 HA THR A 13 41.835 25.609 52.258 1.00 0.00 H new ATOM 0 HB THR A 13 43.724 26.587 53.451 1.00 0.00 H new ATOM 0 HG1 THR A 13 43.697 28.751 51.561 1.00 0.00 H new ATOM 0 HG21 THR A 13 45.420 26.599 51.514 1.00 0.00 H new ATOM 0 HG22 THR A 13 44.259 25.254 51.418 1.00 0.00 H new ATOM 0 HG23 THR A 13 44.047 26.689 50.386 1.00 0.00 H new ATOM 213 N THR A 14 41.489 26.331 54.714 1.00 0.00 N ATOM 214 CA THR A 14 40.922 26.494 56.050 1.00 0.00 C ATOM 215 C THR A 14 42.015 26.176 57.109 1.00 0.00 C ATOM 216 O THR A 14 42.847 25.280 56.965 1.00 0.00 O ATOM 217 CB THR A 14 39.714 25.579 56.264 1.00 0.00 C ATOM 218 OG1 THR A 14 39.973 24.175 56.172 1.00 0.00 O ATOM 219 CG2 THR A 14 38.643 25.938 55.218 1.00 0.00 C ATOM 0 H THR A 14 42.051 25.484 54.631 1.00 0.00 H new ATOM 0 HA THR A 14 40.582 27.524 56.156 1.00 0.00 H new ATOM 0 HB THR A 14 39.395 25.754 57.291 1.00 0.00 H new ATOM 0 HG1 THR A 14 39.142 23.678 56.325 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.772 25.296 55.354 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.348 26.980 55.342 1.00 0.00 H new ATOM 0 HG23 THR A 14 39.049 25.792 54.217 1.00 0.00 H new ATOM 227 N GLU A 15 41.952 26.953 58.241 1.00 0.00 N ATOM 228 CA GLU A 15 42.954 26.910 59.313 1.00 0.00 C ATOM 229 C GLU A 15 42.327 26.017 60.431 1.00 0.00 C ATOM 230 O GLU A 15 41.651 26.491 61.343 1.00 0.00 O ATOM 231 CB GLU A 15 43.305 28.342 59.749 1.00 0.00 C ATOM 232 CG GLU A 15 44.353 28.503 60.862 1.00 0.00 C ATOM 233 CD GLU A 15 45.689 27.909 60.455 1.00 0.00 C ATOM 234 OE1 GLU A 15 46.010 26.736 60.566 1.00 0.00 O ATOM 235 OE2 GLU A 15 46.510 28.836 59.966 1.00 0.00 O ATOM 0 H GLU A 15 41.199 27.618 58.416 1.00 0.00 H new ATOM 0 HA GLU A 15 43.908 26.476 59.013 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.658 28.885 58.872 1.00 0.00 H new ATOM 0 HB3 GLU A 15 42.387 28.829 60.077 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.479 29.560 61.095 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.999 28.017 61.771 1.00 0.00 H new ATOM 243 N THR A 16 42.582 24.656 60.318 1.00 0.00 N ATOM 244 CA THR A 16 42.074 23.640 61.272 1.00 0.00 C ATOM 245 C THR A 16 43.187 23.581 62.366 1.00 0.00 C ATOM 246 O THR A 16 44.232 22.955 62.202 1.00 0.00 O ATOM 247 CB THR A 16 41.771 22.256 60.629 1.00 0.00 C ATOM 248 OG1 THR A 16 40.658 22.417 59.742 1.00 0.00 O ATOM 249 CG2 THR A 16 41.481 21.129 61.637 1.00 0.00 C ATOM 0 H THR A 16 43.142 24.259 59.563 1.00 0.00 H new ATOM 0 HA THR A 16 41.099 23.915 61.675 1.00 0.00 H new ATOM 0 HB THR A 16 42.673 21.940 60.104 1.00 0.00 H new ATOM 0 HG1 THR A 16 40.448 21.557 59.322 1.00 0.00 H new ATOM 0 HG21 THR A 16 41.281 20.202 61.099 1.00 0.00 H new ATOM 0 HG22 THR A 16 42.345 20.992 62.288 1.00 0.00 H new ATOM 0 HG23 THR A 16 40.612 21.394 62.239 1.00 0.00 H new ATOM 257 N CYS A 17 42.915 24.273 63.544 1.00 0.00 N ATOM 258 CA CYS A 17 44.000 24.603 64.488 1.00 0.00 C ATOM 259 C CYS A 17 43.707 24.253 65.977 1.00 0.00 C ATOM 260 O CYS A 17 42.571 24.123 66.429 1.00 0.00 O ATOM 261 CB CYS A 17 44.210 26.106 64.339 1.00 0.00 C ATOM 262 SG CYS A 17 45.547 26.923 65.245 1.00 0.00 S ATOM 0 H CYS A 17 41.987 24.588 63.828 1.00 0.00 H new ATOM 0 HA CYS A 17 44.877 24.003 64.244 1.00 0.00 H new ATOM 0 HB2 CYS A 17 44.364 26.309 63.279 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.278 26.594 64.625 1.00 0.00 H new ATOM 267 N GLN A 18 44.850 24.175 66.743 1.00 0.00 N ATOM 268 CA GLN A 18 44.894 23.830 68.162 1.00 0.00 C ATOM 269 C GLN A 18 44.695 25.060 69.094 1.00 0.00 C ATOM 270 O GLN A 18 44.405 24.858 70.275 1.00 0.00 O ATOM 271 CB GLN A 18 46.177 23.051 68.554 1.00 0.00 C ATOM 272 CG GLN A 18 47.563 23.722 68.362 1.00 0.00 C ATOM 273 CD GLN A 18 47.896 24.001 66.899 1.00 0.00 C ATOM 274 OE1 GLN A 18 47.704 25.079 66.370 1.00 0.00 O ATOM 275 NE2 GLN A 18 48.436 22.962 66.222 1.00 0.00 N ATOM 0 H GLN A 18 45.775 24.360 66.355 1.00 0.00 H new ATOM 0 HA GLN A 18 44.045 23.164 68.314 1.00 0.00 H new ATOM 0 HB2 GLN A 18 46.087 22.781 69.606 1.00 0.00 H new ATOM 0 HB3 GLN A 18 46.182 22.121 67.985 1.00 0.00 H new ATOM 0 HG2 GLN A 18 47.587 24.659 68.919 1.00 0.00 H new ATOM 0 HG3 GLN A 18 48.333 23.079 68.787 1.00 0.00 H new ATOM 0 HE21 GLN A 18 48.585 22.069 66.692 1.00 0.00 H new ATOM 0 HE22 GLN A 18 48.694 23.071 65.241 1.00 0.00 H new ATOM 284 N GLU A 19 44.830 26.352 68.604 1.00 0.00 N ATOM 285 CA GLU A 19 44.611 27.505 69.484 1.00 0.00 C ATOM 286 C GLU A 19 43.045 27.615 69.700 1.00 0.00 C ATOM 287 O GLU A 19 42.233 27.662 68.774 1.00 0.00 O ATOM 288 CB GLU A 19 45.266 28.801 68.957 1.00 0.00 C ATOM 289 CG GLU A 19 46.804 28.663 68.776 1.00 0.00 C ATOM 290 CD GLU A 19 47.556 29.993 68.758 1.00 0.00 C ATOM 291 OE1 GLU A 19 47.203 31.027 69.284 1.00 0.00 O ATOM 292 OE2 GLU A 19 48.716 29.876 68.111 1.00 0.00 O ATOM 0 H GLU A 19 45.079 26.584 67.643 1.00 0.00 H new ATOM 0 HA GLU A 19 45.106 27.359 70.444 1.00 0.00 H new ATOM 0 HB2 GLU A 19 44.814 29.070 68.002 1.00 0.00 H new ATOM 0 HB3 GLU A 19 45.057 29.617 69.649 1.00 0.00 H new ATOM 0 HG2 GLU A 19 47.199 28.046 69.583 1.00 0.00 H new ATOM 0 HG3 GLU A 19 47.003 28.134 67.844 1.00 0.00 H new ATOM 300 N ASP A 20 42.667 27.675 71.034 1.00 0.00 N ATOM 301 CA ASP A 20 41.335 27.616 71.650 1.00 0.00 C ATOM 302 C ASP A 20 40.259 28.549 70.982 1.00 0.00 C ATOM 303 O ASP A 20 39.071 28.229 70.930 1.00 0.00 O ATOM 304 CB ASP A 20 40.848 26.235 72.107 1.00 0.00 C ATOM 305 CG ASP A 20 40.466 25.126 71.107 1.00 0.00 C ATOM 306 OD1 ASP A 20 40.548 25.356 69.902 1.00 0.00 O ATOM 307 OD2 ASP A 20 40.054 24.103 71.670 1.00 0.00 O ATOM 0 H ASP A 20 43.383 27.776 71.753 1.00 0.00 H new ATOM 0 HA ASP A 20 41.503 28.089 72.618 1.00 0.00 H new ATOM 0 HB2 ASP A 20 41.628 25.824 72.748 1.00 0.00 H new ATOM 0 HB3 ASP A 20 39.974 26.403 72.737 1.00 0.00 H new ATOM 312 N SER A 21 40.696 29.800 70.604 1.00 0.00 N ATOM 313 CA SER A 21 39.853 30.869 70.062 1.00 0.00 C ATOM 314 C SER A 21 40.372 31.160 68.629 1.00 0.00 C ATOM 315 O SER A 21 41.573 31.282 68.376 1.00 0.00 O ATOM 316 CB SER A 21 39.908 32.190 70.875 1.00 0.00 C ATOM 317 OG SER A 21 39.211 33.301 70.316 1.00 0.00 O ATOM 0 H SER A 21 41.675 30.075 70.680 1.00 0.00 H new ATOM 0 HA SER A 21 38.817 30.530 70.095 1.00 0.00 H new ATOM 0 HB2 SER A 21 39.505 31.998 71.869 1.00 0.00 H new ATOM 0 HB3 SER A 21 40.953 32.470 71.003 1.00 0.00 H new ATOM 0 HG SER A 21 38.427 32.981 69.822 1.00 0.00 H new ATOM 323 N CYS A 22 39.400 31.280 67.653 1.00 0.00 N ATOM 324 CA CYS A 22 39.759 31.689 66.308 1.00 0.00 C ATOM 325 C CYS A 22 39.055 33.024 65.970 1.00 0.00 C ATOM 326 O CYS A 22 37.934 33.338 66.365 1.00 0.00 O ATOM 327 CB CYS A 22 39.643 30.589 65.221 1.00 0.00 C ATOM 328 SG CYS A 22 38.061 29.872 64.650 1.00 0.00 S ATOM 0 H CYS A 22 38.407 31.099 67.799 1.00 0.00 H new ATOM 0 HA CYS A 22 40.834 31.866 66.298 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.134 30.987 64.333 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.247 29.752 65.571 1.00 0.00 H new ATOM 333 N TYR A 23 39.815 33.845 65.171 1.00 0.00 N ATOM 334 CA TYR A 23 39.496 35.252 64.986 1.00 0.00 C ATOM 335 C TYR A 23 39.033 35.556 63.551 1.00 0.00 C ATOM 336 O TYR A 23 39.315 34.833 62.594 1.00 0.00 O ATOM 337 CB TYR A 23 40.764 36.113 65.322 1.00 0.00 C ATOM 338 CG TYR A 23 41.967 35.894 64.413 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.010 36.402 63.116 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.110 35.248 64.876 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.146 36.310 62.329 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.263 35.137 64.105 1.00 0.00 C ATOM 343 CZ TYR A 23 44.303 35.676 62.817 1.00 0.00 C ATOM 344 OH TYR A 23 45.399 35.608 62.011 1.00 0.00 O ATOM 0 H TYR A 23 40.641 33.533 64.661 1.00 0.00 H new ATOM 0 HA TYR A 23 38.673 35.502 65.656 1.00 0.00 H new ATOM 0 HB2 TYR A 23 40.487 37.166 65.281 1.00 0.00 H new ATOM 0 HB3 TYR A 23 41.063 35.902 66.349 1.00 0.00 H new ATOM 0 HD1 TYR A 23 41.131 36.882 62.712 1.00 0.00 H new ATOM 0 HD2 TYR A 23 43.102 34.819 65.867 1.00 0.00 H new ATOM 0 HE1 TYR A 23 43.143 36.728 61.333 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.130 34.632 64.504 1.00 0.00 H new ATOM 0 HH TYR A 23 46.123 35.143 62.481 1.00 0.00 H new ATOM 354 N LYS A 24 38.278 36.705 63.456 1.00 0.00 N ATOM 355 CA LYS A 24 37.698 37.180 62.206 1.00 0.00 C ATOM 356 C LYS A 24 38.309 38.599 61.992 1.00 0.00 C ATOM 357 O LYS A 24 38.065 39.582 62.688 1.00 0.00 O ATOM 358 CB LYS A 24 36.165 37.126 62.197 1.00 0.00 C ATOM 359 CG LYS A 24 35.595 35.750 62.632 1.00 0.00 C ATOM 360 CD LYS A 24 34.266 35.345 61.974 1.00 0.00 C ATOM 361 CE LYS A 24 33.784 34.007 62.537 1.00 0.00 C ATOM 362 NZ LYS A 24 32.441 33.582 61.954 1.00 0.00 N ATOM 0 H LYS A 24 38.072 37.304 64.256 1.00 0.00 H new ATOM 0 HA LYS A 24 37.945 36.533 61.364 1.00 0.00 H new ATOM 0 HB2 LYS A 24 35.778 37.898 62.862 1.00 0.00 H new ATOM 0 HB3 LYS A 24 35.806 37.359 61.194 1.00 0.00 H new ATOM 0 HG2 LYS A 24 36.338 34.983 62.412 1.00 0.00 H new ATOM 0 HG3 LYS A 24 35.457 35.759 63.713 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.515 36.114 62.152 1.00 0.00 H new ATOM 0 HD3 LYS A 24 34.395 35.268 60.894 1.00 0.00 H new ATOM 0 HE2 LYS A 24 34.528 33.238 62.327 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.699 34.081 63.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.444 32.555 61.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 31.681 33.824 62.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 32.281 34.077 61.053 1.00 0.00 H new ATOM 376 N ASN A 25 39.165 38.664 60.915 1.00 0.00 N ATOM 377 CA ASN A 25 39.974 39.827 60.536 1.00 0.00 C ATOM 378 C ASN A 25 39.365 40.243 59.139 1.00 0.00 C ATOM 379 O ASN A 25 39.364 39.477 58.176 1.00 0.00 O ATOM 380 CB ASN A 25 41.425 39.386 60.511 1.00 0.00 C ATOM 381 CG ASN A 25 42.349 40.557 60.325 1.00 0.00 C ATOM 382 OD1 ASN A 25 42.946 41.105 61.232 1.00 0.00 O ATOM 383 ND2 ASN A 25 42.433 40.976 59.053 1.00 0.00 N ATOM 0 H ASN A 25 39.298 37.874 60.284 1.00 0.00 H new ATOM 0 HA ASN A 25 39.954 40.685 61.208 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.667 38.873 61.442 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.576 38.669 59.704 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.013 41.781 58.819 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.916 40.489 58.321 1.00 0.00 H new ATOM 390 N ILE A 26 38.818 41.524 59.064 1.00 0.00 N ATOM 391 CA ILE A 26 37.751 41.878 58.080 1.00 0.00 C ATOM 392 C ILE A 26 37.935 43.236 57.314 1.00 0.00 C ATOM 393 O ILE A 26 37.000 43.856 56.810 1.00 0.00 O ATOM 394 CB ILE A 26 36.429 41.861 58.885 1.00 0.00 C ATOM 395 CG1 ILE A 26 36.328 42.796 60.122 1.00 0.00 C ATOM 396 CG2 ILE A 26 36.151 40.419 59.338 1.00 0.00 C ATOM 397 CD1 ILE A 26 36.507 44.292 59.844 1.00 0.00 C ATOM 0 H ILE A 26 39.103 42.297 59.666 1.00 0.00 H new ATOM 0 HA ILE A 26 37.778 41.152 57.267 1.00 0.00 H new ATOM 0 HB ILE A 26 35.689 42.257 58.190 1.00 0.00 H new ATOM 0 HG12 ILE A 26 35.354 42.646 60.588 1.00 0.00 H new ATOM 0 HG13 ILE A 26 37.080 42.488 60.849 1.00 0.00 H new ATOM 0 HG21 ILE A 26 35.222 40.389 59.907 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.062 39.774 58.464 1.00 0.00 H new ATOM 0 HG23 ILE A 26 36.972 40.070 59.965 1.00 0.00 H new ATOM 0 HD11 ILE A 26 36.417 44.849 60.777 1.00 0.00 H new ATOM 0 HD12 ILE A 26 37.492 44.466 59.411 1.00 0.00 H new ATOM 0 HD13 ILE A 26 35.739 44.627 59.146 1.00 0.00 H new ATOM 409 N TRP A 27 39.243 43.606 57.171 1.00 0.00 N ATOM 410 CA TRP A 27 39.764 44.928 56.808 1.00 0.00 C ATOM 411 C TRP A 27 41.058 44.637 55.960 1.00 0.00 C ATOM 412 O TRP A 27 40.969 44.196 54.819 1.00 0.00 O ATOM 413 CB TRP A 27 40.023 45.853 58.063 1.00 0.00 C ATOM 414 CG TRP A 27 40.266 45.072 59.330 1.00 0.00 C ATOM 415 CD1 TRP A 27 40.829 43.774 59.400 1.00 0.00 C ATOM 416 CD2 TRP A 27 39.783 45.295 60.617 1.00 0.00 C ATOM 417 NE1 TRP A 27 40.599 43.154 60.593 1.00 0.00 N ATOM 418 CE2 TRP A 27 39.959 44.121 61.355 1.00 0.00 C ATOM 419 CE3 TRP A 27 39.010 46.334 61.195 1.00 0.00 C ATOM 420 CZ2 TRP A 27 39.433 43.894 62.585 1.00 0.00 C ATOM 421 CZ3 TRP A 27 38.447 46.133 62.446 1.00 0.00 C ATOM 422 CH2 TRP A 27 38.664 44.926 63.143 1.00 0.00 C ATOM 0 H TRP A 27 39.996 42.934 57.319 1.00 0.00 H new ATOM 0 HA TRP A 27 39.040 45.503 56.231 1.00 0.00 H new ATOM 0 HB2 TRP A 27 40.884 46.491 57.865 1.00 0.00 H new ATOM 0 HB3 TRP A 27 39.165 46.510 58.206 1.00 0.00 H new ATOM 0 HD1 TRP A 27 41.384 43.321 58.591 1.00 0.00 H new ATOM 0 HE1 TRP A 27 40.841 42.201 60.862 1.00 0.00 H new ATOM 0 HE3 TRP A 27 38.862 47.266 60.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 39.598 42.964 63.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 37.838 46.906 62.890 1.00 0.00 H new ATOM 0 HH2 TRP A 27 38.231 44.794 64.123 1.00 0.00 H new ATOM 433 N THR A 28 42.300 44.880 56.537 1.00 0.00 N ATOM 434 CA THR A 28 43.572 44.631 55.849 1.00 0.00 C ATOM 435 C THR A 28 43.882 45.740 54.770 1.00 0.00 C ATOM 436 O THR A 28 42.999 46.456 54.303 1.00 0.00 O ATOM 437 CB THR A 28 43.755 43.216 55.205 1.00 0.00 C ATOM 438 OG1 THR A 28 45.137 42.931 54.991 1.00 0.00 O ATOM 439 CG2 THR A 28 43.067 42.002 55.871 1.00 0.00 C ATOM 0 H THR A 28 42.412 45.249 57.481 1.00 0.00 H new ATOM 0 HA THR A 28 44.293 44.672 56.665 1.00 0.00 H new ATOM 0 HB THR A 28 43.206 43.325 54.270 1.00 0.00 H new ATOM 0 HG1 THR A 28 45.292 42.757 54.039 1.00 0.00 H new ATOM 0 HG21 THR A 28 43.293 41.099 55.303 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.434 41.890 56.891 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.989 42.159 55.889 1.00 0.00 H new ATOM 447 N PHE A 29 45.207 45.851 54.363 1.00 0.00 N ATOM 448 CA PHE A 29 45.599 46.788 53.303 1.00 0.00 C ATOM 449 C PHE A 29 44.827 46.444 51.977 1.00 0.00 C ATOM 450 O PHE A 29 44.421 47.352 51.255 1.00 0.00 O ATOM 451 CB PHE A 29 47.114 46.770 53.021 1.00 0.00 C ATOM 452 CG PHE A 29 47.969 47.334 54.149 1.00 0.00 C ATOM 453 CD1 PHE A 29 48.111 48.716 54.317 1.00 0.00 C ATOM 454 CD2 PHE A 29 48.695 46.497 55.004 1.00 0.00 C ATOM 455 CE1 PHE A 29 48.948 49.251 55.298 1.00 0.00 C ATOM 456 CE2 PHE A 29 49.537 47.016 55.991 1.00 0.00 C ATOM 457 CZ PHE A 29 49.672 48.401 56.141 1.00 0.00 C ATOM 0 H PHE A 29 45.976 45.309 54.757 1.00 0.00 H new ATOM 0 HA PHE A 29 45.340 47.787 53.653 1.00 0.00 H new ATOM 0 HB2 PHE A 29 47.423 45.743 52.825 1.00 0.00 H new ATOM 0 HB3 PHE A 29 47.309 47.340 52.113 1.00 0.00 H new ATOM 0 HD1 PHE A 29 47.560 49.385 53.672 1.00 0.00 H new ATOM 0 HD2 PHE A 29 48.602 45.426 54.899 1.00 0.00 H new ATOM 0 HE1 PHE A 29 49.037 50.322 55.406 1.00 0.00 H new ATOM 0 HE2 PHE A 29 50.084 46.348 56.639 1.00 0.00 H new ATOM 0 HZ PHE A 29 50.326 48.808 56.898 1.00 0.00 H new ATOM 467 N ASP A 30 44.639 45.111 51.675 1.00 0.00 N ATOM 468 CA ASP A 30 43.985 44.524 50.509 1.00 0.00 C ATOM 469 C ASP A 30 42.401 44.529 50.576 1.00 0.00 C ATOM 470 O ASP A 30 41.786 44.042 49.627 1.00 0.00 O ATOM 471 CB ASP A 30 44.579 43.119 50.230 1.00 0.00 C ATOM 472 CG ASP A 30 44.771 42.131 51.418 1.00 0.00 C ATOM 473 OD1 ASP A 30 45.357 42.590 52.404 1.00 0.00 O ATOM 474 OD2 ASP A 30 44.371 40.974 51.260 1.00 0.00 O ATOM 0 H ASP A 30 44.978 44.387 52.308 1.00 0.00 H new ATOM 0 HA ASP A 30 44.202 45.169 49.658 1.00 0.00 H new ATOM 0 HB2 ASP A 30 43.938 42.631 49.496 1.00 0.00 H new ATOM 0 HB3 ASP A 30 45.552 43.261 49.759 1.00 0.00 H new ATOM 479 N ASN A 31 41.715 45.102 51.642 1.00 0.00 N ATOM 480 CA ASN A 31 40.259 45.259 51.809 1.00 0.00 C ATOM 481 C ASN A 31 39.582 43.872 51.537 1.00 0.00 C ATOM 482 O ASN A 31 38.961 43.659 50.496 1.00 0.00 O ATOM 483 CB ASN A 31 39.581 46.419 51.069 1.00 0.00 C ATOM 484 CG ASN A 31 38.349 46.845 51.860 1.00 0.00 C ATOM 485 OD1 ASN A 31 38.348 47.790 52.627 1.00 0.00 O ATOM 486 ND2 ASN A 31 37.255 46.071 51.680 1.00 0.00 N ATOM 0 H ASN A 31 42.222 45.481 52.442 1.00 0.00 H new ATOM 0 HA ASN A 31 40.106 45.575 52.841 1.00 0.00 H new ATOM 0 HB2 ASN A 31 40.271 47.256 50.964 1.00 0.00 H new ATOM 0 HB3 ASN A 31 39.297 46.112 50.063 1.00 0.00 H new ATOM 0 HD21 ASN A 31 36.398 46.272 52.194 1.00 0.00 H new ATOM 0 HD22 ASN A 31 37.287 45.286 51.030 1.00 0.00 H new ATOM 493 N ILE A 32 39.634 42.938 52.562 1.00 0.00 N ATOM 494 CA ILE A 32 39.105 41.593 52.358 1.00 0.00 C ATOM 495 C ILE A 32 38.811 40.879 53.721 1.00 0.00 C ATOM 496 O ILE A 32 39.198 41.360 54.785 1.00 0.00 O ATOM 497 CB ILE A 32 40.099 40.708 51.534 1.00 0.00 C ATOM 498 CG1 ILE A 32 39.510 39.688 50.525 1.00 0.00 C ATOM 499 CG2 ILE A 32 41.085 39.962 52.464 1.00 0.00 C ATOM 500 CD1 ILE A 32 38.412 40.179 49.566 1.00 0.00 C ATOM 0 H ILE A 32 40.026 43.113 53.487 1.00 0.00 H new ATOM 0 HA ILE A 32 38.174 41.708 51.802 1.00 0.00 H new ATOM 0 HB ILE A 32 40.591 41.456 50.913 1.00 0.00 H new ATOM 0 HG12 ILE A 32 40.332 39.300 49.923 1.00 0.00 H new ATOM 0 HG13 ILE A 32 39.108 38.849 51.093 1.00 0.00 H new ATOM 0 HG21 ILE A 32 41.763 39.355 51.864 1.00 0.00 H new ATOM 0 HG22 ILE A 32 41.660 40.686 53.041 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.527 39.318 53.144 1.00 0.00 H new ATOM 0 HD11 ILE A 32 38.098 39.358 48.921 1.00 0.00 H new ATOM 0 HD12 ILE A 32 37.558 40.535 50.142 1.00 0.00 H new ATOM 0 HD13 ILE A 32 38.801 40.993 48.954 1.00 0.00 H new ATOM 512 N ILE A 33 38.113 39.682 53.654 1.00 0.00 N ATOM 513 CA ILE A 33 37.931 38.847 54.862 1.00 0.00 C ATOM 514 C ILE A 33 38.926 37.653 54.693 1.00 0.00 C ATOM 515 O ILE A 33 38.831 36.842 53.776 1.00 0.00 O ATOM 516 CB ILE A 33 36.518 38.325 55.136 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.461 39.455 55.197 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.479 37.416 56.379 1.00 0.00 C ATOM 519 CD1 ILE A 33 34.011 38.985 55.406 1.00 0.00 C ATOM 0 H ILE A 33 37.692 39.306 52.804 1.00 0.00 H new ATOM 0 HA ILE A 33 38.122 39.477 55.731 1.00 0.00 H new ATOM 0 HB ILE A 33 36.242 37.709 54.280 1.00 0.00 H new ATOM 0 HG12 ILE A 33 35.726 40.135 56.007 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.511 40.027 54.271 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.460 37.065 56.541 1.00 0.00 H new ATOM 0 HG22 ILE A 33 37.137 36.561 56.225 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.812 37.978 57.251 1.00 0.00 H new ATOM 0 HD11 ILE A 33 33.349 39.850 55.435 1.00 0.00 H new ATOM 0 HD12 ILE A 33 33.719 38.331 54.585 1.00 0.00 H new ATOM 0 HD13 ILE A 33 33.937 38.440 56.347 1.00 0.00 H new ATOM 531 N ARG A 34 39.941 37.541 55.625 1.00 0.00 N ATOM 532 CA ARG A 34 41.010 36.563 55.441 1.00 0.00 C ATOM 533 C ARG A 34 41.580 36.452 56.876 1.00 0.00 C ATOM 534 O ARG A 34 42.169 37.374 57.441 1.00 0.00 O ATOM 535 CB ARG A 34 42.030 37.028 54.403 1.00 0.00 C ATOM 536 CG ARG A 34 43.256 36.152 54.092 1.00 0.00 C ATOM 537 CD ARG A 34 44.051 36.775 52.924 1.00 0.00 C ATOM 538 NE ARG A 34 44.502 38.189 53.003 1.00 0.00 N ATOM 539 CZ ARG A 34 44.873 38.909 54.051 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.950 38.413 55.255 1.00 0.00 N ATOM 541 NH2 ARG A 34 45.187 40.156 53.859 1.00 0.00 N ATOM 0 H ARG A 34 40.015 38.106 56.471 1.00 0.00 H new ATOM 0 HA ARG A 34 40.686 35.601 55.043 1.00 0.00 H new ATOM 0 HB2 ARG A 34 41.494 37.182 53.466 1.00 0.00 H new ATOM 0 HB3 ARG A 34 42.399 38.002 54.723 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.890 36.069 54.974 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.938 35.142 53.832 1.00 0.00 H new ATOM 0 HD2 ARG A 34 44.938 36.160 52.771 1.00 0.00 H new ATOM 0 HD3 ARG A 34 43.438 36.680 52.028 1.00 0.00 H new ATOM 0 HE ARG A 34 44.530 38.682 52.111 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.720 37.433 55.419 1.00 0.00 H new ATOM 0 HH12 ARG A 34 45.241 39.005 56.033 1.00 0.00 H new ATOM 0 HH21 ARG A 34 45.144 40.554 52.921 1.00 0.00 H new ATOM 0 HH22 ARG A 34 45.477 40.736 54.646 1.00 0.00 H new ATOM 555 N ARG A 35 41.331 35.241 57.498 1.00 0.00 N ATOM 556 CA ARG A 35 41.350 35.153 58.952 1.00 0.00 C ATOM 557 C ARG A 35 41.935 33.810 59.483 1.00 0.00 C ATOM 558 O ARG A 35 42.548 33.062 58.724 1.00 0.00 O ATOM 559 CB ARG A 35 39.914 35.537 59.395 1.00 0.00 C ATOM 560 CG ARG A 35 38.734 34.689 58.838 1.00 0.00 C ATOM 561 CD ARG A 35 37.350 35.276 59.150 1.00 0.00 C ATOM 562 NE ARG A 35 36.190 34.786 58.342 1.00 0.00 N ATOM 563 CZ ARG A 35 35.376 33.792 58.651 1.00 0.00 C ATOM 564 NH1 ARG A 35 35.656 32.919 59.581 1.00 0.00 N ATOM 565 NH2 ARG A 35 34.251 33.668 58.000 1.00 0.00 N ATOM 0 H ARG A 35 41.127 34.368 57.012 1.00 0.00 H new ATOM 0 HA ARG A 35 42.053 35.844 59.416 1.00 0.00 H new ATOM 0 HB2 ARG A 35 39.875 35.491 60.483 1.00 0.00 H new ATOM 0 HB3 ARG A 35 39.743 36.576 59.113 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.844 34.595 57.758 1.00 0.00 H new ATOM 0 HG3 ARG A 35 38.794 33.683 59.253 1.00 0.00 H new ATOM 0 HD2 ARG A 35 37.133 35.083 60.201 1.00 0.00 H new ATOM 0 HD3 ARG A 35 37.409 36.358 59.030 1.00 0.00 H new ATOM 0 HE ARG A 35 36.009 35.269 57.462 1.00 0.00 H new ATOM 0 HH11 ARG A 35 36.531 32.990 60.100 1.00 0.00 H new ATOM 0 HH12 ARG A 35 34.999 32.166 59.788 1.00 0.00 H new ATOM 0 HH21 ARG A 35 34.011 34.333 57.265 1.00 0.00 H new ATOM 0 HH22 ARG A 35 33.612 32.906 58.227 1.00 0.00 H new ATOM 579 N GLY A 36 41.847 33.567 60.849 1.00 0.00 N ATOM 580 CA GLY A 36 42.587 32.382 61.305 1.00 0.00 C ATOM 581 C GLY A 36 42.572 32.104 62.817 1.00 0.00 C ATOM 582 O GLY A 36 41.771 32.680 63.541 1.00 0.00 O ATOM 0 H GLY A 36 41.338 34.109 61.547 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.182 31.509 60.794 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.625 32.484 60.987 1.00 0.00 H new ATOM 586 N CYS A 37 43.468 31.157 63.291 1.00 0.00 N ATOM 587 CA CYS A 37 43.507 30.802 64.719 1.00 0.00 C ATOM 588 C CYS A 37 44.535 31.717 65.468 1.00 0.00 C ATOM 589 O CYS A 37 45.704 31.835 65.105 1.00 0.00 O ATOM 590 CB CYS A 37 43.812 29.300 64.990 1.00 0.00 C ATOM 591 SG CYS A 37 45.350 28.707 64.219 1.00 0.00 S ATOM 0 H CYS A 37 44.139 30.657 62.708 1.00 0.00 H new ATOM 0 HA CYS A 37 42.502 30.972 65.106 1.00 0.00 H new ATOM 0 HB2 CYS A 37 43.872 29.140 66.067 1.00 0.00 H new ATOM 0 HB3 CYS A 37 42.979 28.699 64.625 1.00 0.00 H new ATOM 596 N GLY A 38 44.040 32.433 66.554 1.00 0.00 N ATOM 597 CA GLY A 38 44.950 33.270 67.331 1.00 0.00 C ATOM 598 C GLY A 38 44.184 33.621 68.634 1.00 0.00 C ATOM 599 O GLY A 38 44.049 32.785 69.523 1.00 0.00 O ATOM 0 H GLY A 38 43.070 32.428 66.869 1.00 0.00 H new ATOM 0 HA2 GLY A 38 45.877 32.741 67.552 1.00 0.00 H new ATOM 0 HA3 GLY A 38 45.220 34.171 66.780 1.00 0.00 H new ATOM 603 N CYS A 39 43.665 34.905 68.752 1.00 0.00 N ATOM 604 CA CYS A 39 42.867 35.318 69.919 1.00 0.00 C ATOM 605 C CYS A 39 43.788 35.764 71.103 1.00 0.00 C ATOM 606 O CYS A 39 43.587 36.815 71.708 1.00 0.00 O ATOM 607 CB CYS A 39 41.791 36.336 69.515 1.00 0.00 C ATOM 608 SG CYS A 39 40.686 36.815 70.880 1.00 0.00 S ATOM 0 H CYS A 39 43.797 35.637 68.054 1.00 0.00 H new ATOM 0 HA CYS A 39 42.315 34.460 70.303 1.00 0.00 H new ATOM 0 HB2 CYS A 39 42.278 37.229 69.123 1.00 0.00 H new ATOM 0 HB3 CYS A 39 41.193 35.917 68.705 1.00 0.00 H new ATOM 613 N PHE A 40 44.812 34.895 71.438 1.00 0.00 N ATOM 614 CA PHE A 40 45.676 35.071 72.621 1.00 0.00 C ATOM 615 C PHE A 40 46.852 35.945 72.072 1.00 0.00 C ATOM 616 O PHE A 40 47.944 35.476 71.761 1.00 0.00 O ATOM 617 CB PHE A 40 46.046 33.691 73.223 1.00 0.00 C ATOM 618 CG PHE A 40 44.834 32.766 73.197 1.00 0.00 C ATOM 619 CD1 PHE A 40 43.695 33.021 73.970 1.00 0.00 C ATOM 620 CD2 PHE A 40 44.768 31.729 72.258 1.00 0.00 C ATOM 621 CE1 PHE A 40 42.531 32.271 73.806 1.00 0.00 C ATOM 622 CE2 PHE A 40 43.608 30.977 72.076 1.00 0.00 C ATOM 623 CZ PHE A 40 42.492 31.232 72.878 1.00 0.00 C ATOM 0 H PHE A 40 45.041 34.068 70.886 1.00 0.00 H new ATOM 0 HA PHE A 40 45.224 35.575 73.475 1.00 0.00 H new ATOM 0 HB2 PHE A 40 46.865 33.246 72.657 1.00 0.00 H new ATOM 0 HB3 PHE A 40 46.397 33.815 74.248 1.00 0.00 H new ATOM 0 HD1 PHE A 40 43.718 33.812 74.705 1.00 0.00 H new ATOM 0 HD2 PHE A 40 45.639 31.506 71.659 1.00 0.00 H new ATOM 0 HE1 PHE A 40 41.657 32.496 74.400 1.00 0.00 H new ATOM 0 HE2 PHE A 40 43.572 30.204 71.322 1.00 0.00 H new ATOM 0 HZ PHE A 40 41.603 30.626 72.779 1.00 0.00 H new ATOM 735 N GLY A 48 44.677 43.423 67.103 1.00 0.00 N ATOM 736 CA GLY A 48 43.744 42.516 67.786 1.00 0.00 C ATOM 737 C GLY A 48 42.461 42.416 66.904 1.00 0.00 C ATOM 738 O GLY A 48 41.572 43.260 67.007 1.00 0.00 O ATOM 0 HA2 GLY A 48 44.194 41.533 67.921 1.00 0.00 H new ATOM 0 HA3 GLY A 48 43.499 42.894 68.779 1.00 0.00 H new ATOM 742 N PRO A 49 42.396 41.381 65.981 1.00 0.00 N ATOM 743 CA PRO A 49 41.165 41.092 65.222 1.00 0.00 C ATOM 744 C PRO A 49 39.987 40.788 66.203 1.00 0.00 C ATOM 745 O PRO A 49 40.178 40.497 67.383 1.00 0.00 O ATOM 746 CB PRO A 49 41.507 39.818 64.430 1.00 0.00 C ATOM 747 CG PRO A 49 42.502 39.130 65.363 1.00 0.00 C ATOM 748 CD PRO A 49 43.362 40.295 65.824 1.00 0.00 C ATOM 0 HA PRO A 49 40.859 41.925 64.589 1.00 0.00 H new ATOM 0 HB2 PRO A 49 40.627 39.203 64.245 1.00 0.00 H new ATOM 0 HB3 PRO A 49 41.947 40.046 63.459 1.00 0.00 H new ATOM 0 HG2 PRO A 49 42.004 38.636 66.197 1.00 0.00 H new ATOM 0 HG3 PRO A 49 43.088 38.370 64.846 1.00 0.00 H new ATOM 0 HD2 PRO A 49 43.873 40.072 66.760 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.131 40.542 65.092 1.00 0.00 H new ATOM 756 N TYR A 50 38.708 40.860 65.654 1.00 0.00 N ATOM 757 CA TYR A 50 37.570 40.546 66.534 1.00 0.00 C ATOM 758 C TYR A 50 37.513 38.991 66.735 1.00 0.00 C ATOM 759 O TYR A 50 37.886 38.233 65.841 1.00 0.00 O ATOM 760 CB TYR A 50 36.165 41.146 66.145 1.00 0.00 C ATOM 761 CG TYR A 50 35.341 40.386 65.123 1.00 0.00 C ATOM 762 CD1 TYR A 50 34.560 39.293 65.500 1.00 0.00 C ATOM 763 CD2 TYR A 50 35.233 40.824 63.806 1.00 0.00 C ATOM 764 CE1 TYR A 50 33.704 38.663 64.611 1.00 0.00 C ATOM 765 CE2 TYR A 50 34.370 40.220 62.901 1.00 0.00 C ATOM 766 CZ TYR A 50 33.574 39.140 63.292 1.00 0.00 C ATOM 767 OH TYR A 50 32.698 38.522 62.450 1.00 0.00 O ATOM 0 H TYR A 50 38.481 41.112 64.692 1.00 0.00 H new ATOM 0 HA TYR A 50 37.772 41.065 67.471 1.00 0.00 H new ATOM 0 HB2 TYR A 50 35.573 41.236 67.056 1.00 0.00 H new ATOM 0 HB3 TYR A 50 36.323 42.156 65.767 1.00 0.00 H new ATOM 0 HD1 TYR A 50 34.625 38.927 66.514 1.00 0.00 H new ATOM 0 HD2 TYR A 50 35.837 41.657 63.479 1.00 0.00 H new ATOM 0 HE1 TYR A 50 33.134 37.803 64.931 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.314 40.588 61.887 1.00 0.00 H new ATOM 0 HH TYR A 50 32.718 38.964 61.575 1.00 0.00 H new ATOM 777 N CYS A 51 37.041 38.504 67.950 1.00 0.00 N ATOM 778 CA CYS A 51 37.234 37.078 68.284 1.00 0.00 C ATOM 779 C CYS A 51 35.935 36.237 68.501 1.00 0.00 C ATOM 780 O CYS A 51 34.885 36.733 68.897 1.00 0.00 O ATOM 781 CB CYS A 51 38.039 36.946 69.595 1.00 0.00 C ATOM 782 SG CYS A 51 39.526 38.001 69.659 1.00 0.00 S ATOM 0 H CYS A 51 36.557 39.059 68.656 1.00 0.00 H new ATOM 0 HA CYS A 51 37.743 36.684 67.404 1.00 0.00 H new ATOM 0 HB2 CYS A 51 37.391 37.197 70.435 1.00 0.00 H new ATOM 0 HB3 CYS A 51 38.338 35.906 69.723 1.00 0.00 H new ATOM 787 N CYS A 52 36.117 34.875 68.323 1.00 0.00 N ATOM 788 CA CYS A 52 35.099 33.879 68.623 1.00 0.00 C ATOM 789 C CYS A 52 35.761 32.561 69.161 1.00 0.00 C ATOM 790 O CYS A 52 36.950 32.326 68.958 1.00 0.00 O ATOM 791 CB CYS A 52 34.235 33.584 67.412 1.00 0.00 C ATOM 792 SG CYS A 52 32.599 32.997 67.932 1.00 0.00 S ATOM 0 H CYS A 52 36.984 34.474 67.966 1.00 0.00 H new ATOM 0 HA CYS A 52 34.453 34.289 69.399 1.00 0.00 H new ATOM 0 HB2 CYS A 52 34.130 34.483 66.804 1.00 0.00 H new ATOM 0 HB3 CYS A 52 34.717 32.832 66.788 1.00 0.00 H new ATOM 797 N GLU A 53 34.963 31.664 69.846 1.00 0.00 N ATOM 798 CA GLU A 53 35.540 30.417 70.388 1.00 0.00 C ATOM 799 C GLU A 53 34.584 29.208 70.132 1.00 0.00 C ATOM 800 O GLU A 53 34.521 28.250 70.902 1.00 0.00 O ATOM 801 CB GLU A 53 36.025 30.577 71.845 1.00 0.00 C ATOM 802 CG GLU A 53 35.008 31.073 72.901 1.00 0.00 C ATOM 803 CD GLU A 53 34.591 32.519 72.663 1.00 0.00 C ATOM 804 OE1 GLU A 53 33.518 32.887 72.217 1.00 0.00 O ATOM 805 OE2 GLU A 53 35.553 33.373 73.012 1.00 0.00 O ATOM 0 H GLU A 53 33.966 31.790 70.020 1.00 0.00 H new ATOM 0 HA GLU A 53 36.454 30.186 69.840 1.00 0.00 H new ATOM 0 HB2 GLU A 53 36.407 29.612 72.177 1.00 0.00 H new ATOM 0 HB3 GLU A 53 36.867 31.269 71.842 1.00 0.00 H new ATOM 0 HG2 GLU A 53 34.125 30.434 72.881 1.00 0.00 H new ATOM 0 HG3 GLU A 53 35.445 30.982 73.895 1.00 0.00 H new ATOM 813 N SER A 54 33.908 29.247 68.931 1.00 0.00 N ATOM 814 CA SER A 54 32.954 28.249 68.433 1.00 0.00 C ATOM 815 C SER A 54 33.431 27.706 67.042 1.00 0.00 C ATOM 816 O SER A 54 34.233 28.343 66.359 1.00 0.00 O ATOM 817 CB SER A 54 31.519 28.827 68.366 1.00 0.00 C ATOM 818 OG SER A 54 30.578 27.832 67.976 1.00 0.00 O ATOM 0 H SER A 54 34.035 30.017 68.274 1.00 0.00 H new ATOM 0 HA SER A 54 32.921 27.413 69.132 1.00 0.00 H new ATOM 0 HB2 SER A 54 31.242 29.231 69.340 1.00 0.00 H new ATOM 0 HB3 SER A 54 31.491 29.655 67.657 1.00 0.00 H new ATOM 0 HG SER A 54 29.681 28.225 67.944 1.00 0.00 H new ATOM 824 N ASP A 55 32.960 26.458 66.655 1.00 0.00 N ATOM 825 CA ASP A 55 33.426 25.827 65.407 1.00 0.00 C ATOM 826 C ASP A 55 32.808 26.680 64.235 1.00 0.00 C ATOM 827 O ASP A 55 31.592 26.737 64.055 1.00 0.00 O ATOM 828 CB ASP A 55 33.012 24.343 65.333 1.00 0.00 C ATOM 829 CG ASP A 55 33.721 23.533 64.223 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.802 23.967 63.811 1.00 0.00 O ATOM 831 OD2 ASP A 55 33.120 22.523 63.843 1.00 0.00 O ATOM 0 H ASP A 55 32.284 25.908 67.185 1.00 0.00 H new ATOM 0 HA ASP A 55 34.514 25.819 65.346 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.217 23.873 66.295 1.00 0.00 H new ATOM 0 HB3 ASP A 55 31.935 24.287 65.174 1.00 0.00 H new ATOM 836 N LYS A 56 33.689 27.408 63.431 1.00 0.00 N ATOM 837 CA LYS A 56 33.319 28.314 62.343 1.00 0.00 C ATOM 838 C LYS A 56 32.745 29.634 62.919 1.00 0.00 C ATOM 839 O LYS A 56 33.101 30.711 62.438 1.00 0.00 O ATOM 840 CB LYS A 56 32.462 27.774 61.183 1.00 0.00 C ATOM 841 CG LYS A 56 33.027 26.510 60.495 1.00 0.00 C ATOM 842 CD LYS A 56 32.970 25.219 61.331 1.00 0.00 C ATOM 843 CE LYS A 56 33.354 23.932 60.592 1.00 0.00 C ATOM 844 NZ LYS A 56 33.927 22.930 61.606 1.00 0.00 N ATOM 0 H LYS A 56 34.699 27.351 63.558 1.00 0.00 H new ATOM 0 HA LYS A 56 34.268 28.481 61.833 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.464 27.550 61.560 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.351 28.559 60.435 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.478 26.346 59.568 1.00 0.00 H new ATOM 0 HG3 LYS A 56 34.065 26.700 60.222 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.631 25.334 62.190 1.00 0.00 H new ATOM 0 HD3 LYS A 56 31.959 25.105 61.721 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.482 23.508 60.094 1.00 0.00 H new ATOM 0 HE3 LYS A 56 34.090 24.147 59.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 34.254 22.079 61.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.727 23.364 62.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.189 22.668 62.290 1.00 0.00 H new ATOM 858 N CYS A 57 31.840 29.548 63.957 1.00 0.00 N ATOM 859 CA CYS A 57 31.253 30.695 64.625 1.00 0.00 C ATOM 860 C CYS A 57 30.334 31.351 63.554 1.00 0.00 C ATOM 861 O CYS A 57 30.517 32.500 63.164 1.00 0.00 O ATOM 862 CB CYS A 57 32.307 31.580 65.302 1.00 0.00 C ATOM 863 SG CYS A 57 31.664 33.081 66.109 1.00 0.00 S ATOM 0 H CYS A 57 31.517 28.656 64.332 1.00 0.00 H new ATOM 0 HA CYS A 57 30.640 30.440 65.490 1.00 0.00 H new ATOM 0 HB2 CYS A 57 32.833 30.984 66.048 1.00 0.00 H new ATOM 0 HB3 CYS A 57 33.043 31.877 64.554 1.00 0.00 H new ATOM 868 N ASN A 58 29.290 30.540 63.122 1.00 0.00 N ATOM 869 CA ASN A 58 28.250 30.874 62.126 1.00 0.00 C ATOM 870 C ASN A 58 28.844 30.567 60.718 1.00 0.00 C ATOM 871 O ASN A 58 28.405 29.650 60.030 1.00 0.00 O ATOM 872 CB ASN A 58 27.622 32.288 62.210 1.00 0.00 C ATOM 873 CG ASN A 58 27.350 32.818 63.617 1.00 0.00 C ATOM 874 OD1 ASN A 58 27.807 33.867 64.031 1.00 0.00 O ATOM 875 ND2 ASN A 58 26.533 32.055 64.378 1.00 0.00 N ATOM 0 H ASN A 58 29.169 29.597 63.492 1.00 0.00 H new ATOM 0 HA ASN A 58 27.385 30.250 62.349 1.00 0.00 H new ATOM 0 HB2 ASN A 58 28.284 32.989 61.701 1.00 0.00 H new ATOM 0 HB3 ASN A 58 26.682 32.280 61.658 1.00 0.00 H new ATOM 0 HD21 ASN A 58 26.287 32.355 65.321 1.00 0.00 H new ATOM 0 HD22 ASN A 58 26.162 31.179 64.009 1.00 0.00 H new ATOM 882 N LEU A 59 29.890 31.380 60.347 1.00 0.00 N ATOM 883 CA LEU A 59 30.677 31.317 59.121 1.00 0.00 C ATOM 884 C LEU A 59 31.908 32.252 59.443 1.00 0.00 C ATOM 885 O LEU A 59 33.012 31.719 59.596 1.00 0.00 O ATOM 886 CB LEU A 59 29.924 31.620 57.813 1.00 0.00 C ATOM 887 CG LEU A 59 29.216 32.975 57.563 1.00 0.00 C ATOM 888 CD1 LEU A 59 28.716 32.976 56.107 1.00 0.00 C ATOM 889 CD2 LEU A 59 28.043 33.258 58.515 1.00 0.00 C ATOM 890 OXT LEU A 59 31.678 33.463 59.550 1.00 0.00 O ATOM 0 H LEU A 59 30.204 32.137 60.955 1.00 0.00 H new ATOM 0 HA LEU A 59 30.982 30.298 58.882 1.00 0.00 H new ATOM 0 HB2 LEU A 59 30.639 31.486 57.001 1.00 0.00 H new ATOM 0 HB3 LEU A 59 29.166 30.845 57.701 1.00 0.00 H new ATOM 0 HG LEU A 59 29.940 33.767 57.752 1.00 0.00 H new ATOM 0 HD11 LEU A 59 28.211 33.919 55.896 1.00 0.00 H new ATOM 0 HD12 LEU A 59 29.563 32.859 55.431 1.00 0.00 H new ATOM 0 HD13 LEU A 59 28.019 32.151 55.961 1.00 0.00 H new ATOM 0 HD21 LEU A 59 27.603 34.225 58.273 1.00 0.00 H new ATOM 0 HD22 LEU A 59 27.289 32.479 58.405 1.00 0.00 H new ATOM 0 HD23 LEU A 59 28.404 33.271 59.543 1.00 0.00 H new