USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=15 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= 0.249 K(o=1.5,f=-1.5) USER MOD Set 1.2: A 13 THR OG1 : rot -72:sc= 1.26 USER MOD Single : A 1 ARG N :NH3+ -169:sc= 0.817! (180deg=-0.924!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.031 K(o=-0.031,f=-0.91) USER MOD Single : A 9 THR OG1 : rot 75:sc= 0.617 USER MOD Single : A 10 LYS NZ :NH3+ -114:sc= -0.0107 (180deg=-2.41!) 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 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 113:sc= 0.491 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 142:sc= 1.39 (180deg=-0.718!) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.644 F(o=-3!,f=-0.64) USER MOD Single : A 28 THR OG1 : rot -90:sc= 0.777 USER MOD Single : A 31 ASN : amide:sc= 0.0295 X(o=0.03,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -48:sc= 1.41 USER MOD Single : A 56 LYS NZ :NH3+ -139:sc= -0.691! (180deg=-8.55!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 40.977 24.172 67.534 1.00 0.00 N ATOM 2 CA ARG A 1 39.571 24.103 66.902 1.00 0.00 C ATOM 3 C ARG A 1 39.698 24.575 65.424 1.00 0.00 C ATOM 4 O ARG A 1 40.775 25.020 65.038 1.00 0.00 O ATOM 5 CB ARG A 1 38.671 25.031 67.733 1.00 0.00 C ATOM 6 CG ARG A 1 37.136 24.945 67.586 1.00 0.00 C ATOM 7 CD ARG A 1 36.374 24.930 68.934 1.00 0.00 C ATOM 8 NE ARG A 1 36.536 25.985 69.968 1.00 0.00 N ATOM 9 CZ ARG A 1 37.497 26.892 70.038 1.00 0.00 C ATOM 10 NH1 ARG A 1 37.756 27.676 69.028 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.196 27.011 71.137 1.00 0.00 N ATOM 0 H1 ARG A 1 40.967 23.692 68.456 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.663 23.704 66.907 1.00 0.00 H new ATOM 0 H3 ARG A 1 41.250 25.167 67.665 1.00 0.00 H new ATOM 0 HA ARG A 1 39.142 23.101 66.901 1.00 0.00 H new ATOM 0 HB2 ARG A 1 38.907 24.858 68.783 1.00 0.00 H new ATOM 0 HB3 ARG A 1 38.963 26.056 67.505 1.00 0.00 H new ATOM 0 HG2 ARG A 1 36.790 25.792 66.994 1.00 0.00 H new ATOM 0 HG3 ARG A 1 36.885 24.043 67.028 1.00 0.00 H new ATOM 0 HD2 ARG A 1 35.312 24.898 68.689 1.00 0.00 H new ATOM 0 HD3 ARG A 1 36.618 23.984 69.417 1.00 0.00 H new ATOM 0 HE ARG A 1 35.830 26.013 70.704 1.00 0.00 H new ATOM 0 HH11 ARG A 1 37.214 27.595 68.168 1.00 0.00 H new ATOM 0 HH12 ARG A 1 38.500 28.370 69.099 1.00 0.00 H new ATOM 0 HH21 ARG A 1 37.999 26.406 71.935 1.00 0.00 H new ATOM 0 HH22 ARG A 1 38.938 27.708 71.197 1.00 0.00 H new ATOM 27 N ILE A 2 38.605 24.456 64.574 1.00 0.00 N ATOM 28 CA ILE A 2 38.750 24.790 63.133 1.00 0.00 C ATOM 29 C ILE A 2 38.363 26.296 62.892 1.00 0.00 C ATOM 30 O ILE A 2 37.291 26.755 63.290 1.00 0.00 O ATOM 31 CB ILE A 2 37.867 23.980 62.133 1.00 0.00 C ATOM 32 CG1 ILE A 2 37.921 22.431 62.196 1.00 0.00 C ATOM 33 CG2 ILE A 2 38.179 24.366 60.662 1.00 0.00 C ATOM 34 CD1 ILE A 2 37.465 21.716 63.477 1.00 0.00 C ATOM 0 H ILE A 2 37.675 24.148 64.859 1.00 0.00 H new ATOM 0 HA ILE A 2 39.793 24.545 62.932 1.00 0.00 H new ATOM 0 HB ILE A 2 36.869 24.267 62.464 1.00 0.00 H new ATOM 0 HG12 ILE A 2 37.316 22.048 61.374 1.00 0.00 H new ATOM 0 HG13 ILE A 2 38.951 22.131 62.002 1.00 0.00 H new ATOM 0 HG21 ILE A 2 37.547 23.784 59.991 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.983 25.428 60.515 1.00 0.00 H new ATOM 0 HG23 ILE A 2 39.227 24.157 60.446 1.00 0.00 H new ATOM 0 HD11 ILE A 2 37.569 20.639 63.349 1.00 0.00 H new ATOM 0 HD12 ILE A 2 38.081 22.043 64.315 1.00 0.00 H new ATOM 0 HD13 ILE A 2 36.421 21.959 63.677 1.00 0.00 H new ATOM 46 N CYS A 3 39.252 27.067 62.149 1.00 0.00 N ATOM 47 CA CYS A 3 38.829 28.350 61.590 1.00 0.00 C ATOM 48 C CYS A 3 39.366 28.472 60.114 1.00 0.00 C ATOM 49 O CYS A 3 40.312 27.801 59.711 1.00 0.00 O ATOM 50 CB CYS A 3 39.173 29.614 62.405 1.00 0.00 C ATOM 51 SG CYS A 3 39.150 29.285 64.203 1.00 0.00 S ATOM 0 H CYS A 3 40.218 26.807 61.949 1.00 0.00 H new ATOM 0 HA CYS A 3 37.740 28.326 61.624 1.00 0.00 H new ATOM 0 HB2 CYS A 3 40.158 29.978 62.114 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.460 30.404 62.170 1.00 0.00 H new ATOM 56 N TYR A 4 38.706 29.359 59.284 1.00 0.00 N ATOM 57 CA TYR A 4 38.993 29.415 57.847 1.00 0.00 C ATOM 58 C TYR A 4 40.280 30.224 57.498 1.00 0.00 C ATOM 59 O TYR A 4 40.732 31.067 58.267 1.00 0.00 O ATOM 60 CB TYR A 4 37.855 30.162 57.095 1.00 0.00 C ATOM 61 CG TYR A 4 36.448 29.734 57.465 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.892 30.064 58.701 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.643 29.027 56.579 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.639 29.633 59.086 1.00 0.00 C ATOM 65 CE2 TYR A 4 34.368 28.605 56.931 1.00 0.00 C ATOM 66 CZ TYR A 4 33.849 28.880 58.201 1.00 0.00 C ATOM 67 OH TYR A 4 32.623 28.449 58.612 1.00 0.00 O ATOM 0 H TYR A 4 37.994 30.018 59.601 1.00 0.00 H new ATOM 0 HA TYR A 4 39.104 28.372 57.551 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.955 31.230 57.286 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.992 30.016 56.024 1.00 0.00 H new ATOM 0 HD1 TYR A 4 36.463 30.679 59.381 1.00 0.00 H new ATOM 0 HD2 TYR A 4 36.019 28.800 55.592 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.265 29.875 60.070 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.770 28.058 56.217 1.00 0.00 H new ATOM 0 HH TYR A 4 32.195 27.942 57.890 1.00 0.00 H new ATOM 77 N ASN A 5 40.817 29.994 56.238 1.00 0.00 N ATOM 78 CA ASN A 5 41.795 30.951 55.704 1.00 0.00 C ATOM 79 C ASN A 5 41.478 30.971 54.181 1.00 0.00 C ATOM 80 O ASN A 5 42.317 30.641 53.351 1.00 0.00 O ATOM 81 CB ASN A 5 43.269 30.671 56.017 1.00 0.00 C ATOM 82 CG ASN A 5 44.160 31.788 55.467 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.752 32.894 55.160 1.00 0.00 O ATOM 84 ND2 ASN A 5 45.461 31.449 55.335 1.00 0.00 N ATOM 0 H ASN A 5 40.591 29.204 55.633 1.00 0.00 H new ATOM 0 HA ASN A 5 41.686 31.921 56.189 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.407 30.586 57.095 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.564 29.716 55.581 1.00 0.00 H new ATOM 0 HD21 ASN A 5 46.130 32.127 54.970 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.774 30.515 55.600 1.00 0.00 H new ATOM 91 N HIS A 6 40.180 31.345 53.869 1.00 0.00 N ATOM 92 CA HIS A 6 39.524 31.367 52.548 1.00 0.00 C ATOM 93 C HIS A 6 39.271 32.814 52.007 1.00 0.00 C ATOM 94 O HIS A 6 39.673 33.792 52.629 1.00 0.00 O ATOM 95 CB HIS A 6 40.000 30.280 51.493 1.00 0.00 C ATOM 96 CG HIS A 6 41.199 30.609 50.661 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.038 29.623 50.101 1.00 0.00 N ATOM 98 CD2 HIS A 6 41.757 31.777 50.231 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.055 30.150 49.427 1.00 0.00 C ATOM 100 NE2 HIS A 6 42.885 31.478 49.484 1.00 0.00 N ATOM 0 H HIS A 6 39.542 31.656 54.602 1.00 0.00 H new ATOM 0 HA HIS A 6 38.524 30.981 52.744 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.207 29.355 52.032 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.168 30.077 50.819 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.382 32.769 50.438 1.00 0.00 H new ATOM 0 HE1 HIS A 6 43.855 29.617 48.934 1.00 0.00 H new ATOM 0 HE2 HIS A 6 43.495 32.166 49.043 1.00 0.00 H new ATOM 109 N LEU A 7 38.492 32.920 50.873 1.00 0.00 N ATOM 110 CA LEU A 7 38.052 34.186 50.302 1.00 0.00 C ATOM 111 C LEU A 7 39.206 34.981 49.609 1.00 0.00 C ATOM 112 O LEU A 7 40.247 34.452 49.225 1.00 0.00 O ATOM 113 CB LEU A 7 37.163 35.021 51.253 1.00 0.00 C ATOM 114 CG LEU A 7 36.065 34.268 52.043 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.231 35.262 52.869 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.111 33.453 51.156 1.00 0.00 C ATOM 0 H LEU A 7 38.167 32.107 50.350 1.00 0.00 H new ATOM 0 HA LEU A 7 37.378 33.926 49.486 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.813 35.520 51.972 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.680 35.801 50.665 1.00 0.00 H new ATOM 0 HG LEU A 7 36.595 33.565 52.686 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.462 34.721 53.420 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.880 35.786 53.571 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.760 35.984 52.202 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.370 32.954 51.781 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.606 34.119 50.456 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.679 32.707 50.601 1.00 0.00 H new ATOM 128 N GLY A 8 38.897 36.294 49.319 1.00 0.00 N ATOM 129 CA GLY A 8 39.796 37.120 48.520 1.00 0.00 C ATOM 130 C GLY A 8 40.010 36.451 47.143 1.00 0.00 C ATOM 131 O GLY A 8 41.136 36.418 46.658 1.00 0.00 O ATOM 0 H GLY A 8 38.048 36.766 49.631 1.00 0.00 H new ATOM 0 HA2 GLY A 8 39.376 38.117 48.392 1.00 0.00 H new ATOM 0 HA3 GLY A 8 40.751 37.240 49.032 1.00 0.00 H new ATOM 135 N THR A 9 38.863 35.995 46.504 1.00 0.00 N ATOM 136 CA THR A 9 38.644 35.423 45.157 1.00 0.00 C ATOM 137 C THR A 9 38.308 33.899 45.248 1.00 0.00 C ATOM 138 O THR A 9 37.449 33.434 44.501 1.00 0.00 O ATOM 139 CB THR A 9 39.809 35.618 44.152 1.00 0.00 C ATOM 140 OG1 THR A 9 40.330 36.951 44.079 1.00 0.00 O ATOM 141 CG2 THR A 9 39.421 35.333 42.695 1.00 0.00 C ATOM 0 H THR A 9 37.975 36.036 47.005 1.00 0.00 H new ATOM 0 HA THR A 9 37.802 35.992 44.763 1.00 0.00 H new ATOM 0 HB THR A 9 40.538 34.914 44.553 1.00 0.00 H new ATOM 0 HG1 THR A 9 40.882 37.130 44.868 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.286 35.490 42.051 1.00 0.00 H new ATOM 0 HG22 THR A 9 39.083 34.301 42.604 1.00 0.00 H new ATOM 0 HG23 THR A 9 38.618 36.005 42.394 1.00 0.00 H new ATOM 149 N LYS A 10 39.002 33.116 46.159 1.00 0.00 N ATOM 150 CA LYS A 10 38.893 31.625 46.180 1.00 0.00 C ATOM 151 C LYS A 10 38.376 31.081 47.575 1.00 0.00 C ATOM 152 O LYS A 10 39.032 31.314 48.583 1.00 0.00 O ATOM 153 CB LYS A 10 40.236 30.883 45.900 1.00 0.00 C ATOM 154 CG LYS A 10 40.590 30.708 44.401 1.00 0.00 C ATOM 155 CD LYS A 10 40.860 32.036 43.672 1.00 0.00 C ATOM 156 CE LYS A 10 41.318 31.907 42.216 1.00 0.00 C ATOM 157 NZ LYS A 10 41.778 33.282 41.708 1.00 0.00 N ATOM 0 H LYS A 10 39.627 33.497 46.869 1.00 0.00 H new ATOM 0 HA LYS A 10 38.184 31.417 45.378 1.00 0.00 H new ATOM 0 HB2 LYS A 10 41.044 31.430 46.387 1.00 0.00 H new ATOM 0 HB3 LYS A 10 40.193 29.898 46.365 1.00 0.00 H new ATOM 0 HG2 LYS A 10 41.471 30.071 44.316 1.00 0.00 H new ATOM 0 HG3 LYS A 10 39.772 30.189 43.901 1.00 0.00 H new ATOM 0 HD2 LYS A 10 39.950 32.636 43.697 1.00 0.00 H new ATOM 0 HD3 LYS A 10 41.620 32.587 44.226 1.00 0.00 H new ATOM 0 HE2 LYS A 10 42.133 31.187 42.141 1.00 0.00 H new ATOM 0 HE3 LYS A 10 40.503 31.531 41.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 41.134 33.609 40.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 41.770 33.963 42.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 42.742 33.206 41.325 1.00 0.00 H new ATOM 171 N PRO A 11 37.270 30.213 47.619 1.00 0.00 N ATOM 172 CA PRO A 11 36.749 29.693 48.918 1.00 0.00 C ATOM 173 C PRO A 11 37.215 28.253 49.410 1.00 0.00 C ATOM 174 O PRO A 11 36.853 27.959 50.551 1.00 0.00 O ATOM 175 CB PRO A 11 35.210 29.770 48.791 1.00 0.00 C ATOM 176 CG PRO A 11 34.988 29.566 47.290 1.00 0.00 C ATOM 177 CD PRO A 11 36.133 30.399 46.707 1.00 0.00 C ATOM 0 HA PRO A 11 37.181 30.312 49.704 1.00 0.00 H new ATOM 0 HB2 PRO A 11 34.715 28.999 49.382 1.00 0.00 H new ATOM 0 HB3 PRO A 11 34.823 30.730 49.131 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.054 28.517 47.003 1.00 0.00 H new ATOM 0 HG3 PRO A 11 34.011 29.924 46.966 1.00 0.00 H new ATOM 0 HD2 PRO A 11 36.383 30.068 45.699 1.00 0.00 H new ATOM 0 HD3 PRO A 11 35.855 31.451 46.638 1.00 0.00 H new ATOM 185 N PRO A 12 38.109 27.411 48.731 1.00 0.00 N ATOM 186 CA PRO A 12 38.374 26.057 49.256 1.00 0.00 C ATOM 187 C PRO A 12 39.238 25.750 50.534 1.00 0.00 C ATOM 188 O PRO A 12 39.080 24.616 50.994 1.00 0.00 O ATOM 189 CB PRO A 12 39.096 25.369 48.084 1.00 0.00 C ATOM 190 CG PRO A 12 38.294 25.871 46.881 1.00 0.00 C ATOM 191 CD PRO A 12 38.067 27.338 47.266 1.00 0.00 C ATOM 0 HA PRO A 12 37.395 25.736 49.612 1.00 0.00 H new ATOM 0 HB2 PRO A 12 40.145 25.658 48.025 1.00 0.00 H new ATOM 0 HB3 PRO A 12 39.069 24.283 48.169 1.00 0.00 H new ATOM 0 HG2 PRO A 12 38.847 25.771 45.947 1.00 0.00 H new ATOM 0 HG3 PRO A 12 37.357 25.329 46.756 1.00 0.00 H new ATOM 0 HD2 PRO A 12 38.835 27.975 46.826 1.00 0.00 H new ATOM 0 HD3 PRO A 12 37.107 27.691 46.890 1.00 0.00 H new ATOM 199 N THR A 13 40.139 26.630 51.136 1.00 0.00 N ATOM 200 CA THR A 13 40.947 26.174 52.305 1.00 0.00 C ATOM 201 C THR A 13 40.430 26.622 53.722 1.00 0.00 C ATOM 202 O THR A 13 39.976 27.734 53.978 1.00 0.00 O ATOM 203 CB THR A 13 42.460 26.546 52.322 1.00 0.00 C ATOM 204 OG1 THR A 13 42.763 27.937 52.323 1.00 0.00 O ATOM 205 CG2 THR A 13 43.286 25.921 51.190 1.00 0.00 C ATOM 0 H THR A 13 40.303 27.592 50.840 1.00 0.00 H new ATOM 0 HA THR A 13 40.817 25.105 52.140 1.00 0.00 H new ATOM 0 HB THR A 13 42.743 26.120 53.285 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.560 28.317 51.443 1.00 0.00 H new ATOM 0 HG21 THR A 13 44.326 26.235 51.282 1.00 0.00 H new ATOM 0 HG22 THR A 13 43.228 24.834 51.254 1.00 0.00 H new ATOM 0 HG23 THR A 13 42.892 26.249 50.228 1.00 0.00 H new ATOM 213 N THR A 14 40.702 25.680 54.697 1.00 0.00 N ATOM 214 CA THR A 14 40.426 25.815 56.123 1.00 0.00 C ATOM 215 C THR A 14 41.625 25.259 56.962 1.00 0.00 C ATOM 216 O THR A 14 42.328 24.335 56.558 1.00 0.00 O ATOM 217 CB THR A 14 39.161 25.050 56.538 1.00 0.00 C ATOM 218 OG1 THR A 14 39.155 23.664 56.173 1.00 0.00 O ATOM 219 CG2 THR A 14 37.901 25.703 55.951 1.00 0.00 C ATOM 0 H THR A 14 41.135 24.785 54.470 1.00 0.00 H new ATOM 0 HA THR A 14 40.279 26.878 56.315 1.00 0.00 H new ATOM 0 HB THR A 14 39.162 25.102 57.627 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.319 23.250 56.474 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.021 25.140 56.262 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.821 26.729 56.311 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.965 25.705 54.863 1.00 0.00 H new ATOM 227 N GLU A 15 41.791 25.830 58.208 1.00 0.00 N ATOM 228 CA GLU A 15 42.902 25.499 59.119 1.00 0.00 C ATOM 229 C GLU A 15 42.294 24.690 60.320 1.00 0.00 C ATOM 230 O GLU A 15 41.813 25.256 61.301 1.00 0.00 O ATOM 231 CB GLU A 15 43.621 26.786 59.572 1.00 0.00 C ATOM 232 CG GLU A 15 44.754 26.645 60.607 1.00 0.00 C ATOM 233 CD GLU A 15 45.818 25.674 60.121 1.00 0.00 C ATOM 234 OE1 GLU A 15 45.814 24.476 60.290 1.00 0.00 O ATOM 235 OE2 GLU A 15 46.793 26.310 59.472 1.00 0.00 O ATOM 0 H GLU A 15 41.150 26.527 58.587 1.00 0.00 H new ATOM 0 HA GLU A 15 43.658 24.889 58.625 1.00 0.00 H new ATOM 0 HB2 GLU A 15 44.033 27.270 58.686 1.00 0.00 H new ATOM 0 HB3 GLU A 15 42.872 27.462 59.984 1.00 0.00 H new ATOM 0 HG2 GLU A 15 45.204 27.620 60.794 1.00 0.00 H new ATOM 0 HG3 GLU A 15 44.344 26.296 61.555 1.00 0.00 H new ATOM 243 N THR A 16 42.316 23.296 60.221 1.00 0.00 N ATOM 244 CA THR A 16 41.971 22.453 61.393 1.00 0.00 C ATOM 245 C THR A 16 43.171 22.709 62.370 1.00 0.00 C ATOM 246 O THR A 16 44.299 22.294 62.098 1.00 0.00 O ATOM 247 CB THR A 16 41.843 20.921 61.146 1.00 0.00 C ATOM 248 OG1 THR A 16 40.706 20.672 60.315 1.00 0.00 O ATOM 249 CG2 THR A 16 41.705 20.105 62.443 1.00 0.00 C ATOM 0 H THR A 16 42.559 22.780 59.376 1.00 0.00 H new ATOM 0 HA THR A 16 40.977 22.727 61.746 1.00 0.00 H new ATOM 0 HB THR A 16 42.766 20.600 60.662 1.00 0.00 H new ATOM 0 HG1 THR A 16 40.622 19.709 60.155 1.00 0.00 H new ATOM 0 HG21 THR A 16 41.620 19.046 62.199 1.00 0.00 H new ATOM 0 HG22 THR A 16 42.584 20.264 63.068 1.00 0.00 H new ATOM 0 HG23 THR A 16 40.813 20.426 62.982 1.00 0.00 H new ATOM 257 N CYS A 17 42.916 23.361 63.576 1.00 0.00 N ATOM 258 CA CYS A 17 44.048 23.887 64.361 1.00 0.00 C ATOM 259 C CYS A 17 44.201 23.270 65.790 1.00 0.00 C ATOM 260 O CYS A 17 43.249 22.953 66.503 1.00 0.00 O ATOM 261 CB CYS A 17 43.910 25.396 64.543 1.00 0.00 C ATOM 262 SG CYS A 17 45.495 26.258 64.669 1.00 0.00 S ATOM 0 H CYS A 17 41.991 23.513 63.979 1.00 0.00 H new ATOM 0 HA CYS A 17 44.929 23.612 63.781 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.349 25.805 63.703 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.326 25.593 65.442 1.00 0.00 H new ATOM 267 N GLN A 18 45.517 23.265 66.207 1.00 0.00 N ATOM 268 CA GLN A 18 46.030 22.832 67.506 1.00 0.00 C ATOM 269 C GLN A 18 46.177 24.055 68.492 1.00 0.00 C ATOM 270 O GLN A 18 46.406 23.822 69.678 1.00 0.00 O ATOM 271 CB GLN A 18 47.386 22.117 67.303 1.00 0.00 C ATOM 272 CG GLN A 18 47.345 20.861 66.393 1.00 0.00 C ATOM 273 CD GLN A 18 48.737 20.493 65.878 1.00 0.00 C ATOM 274 OE1 GLN A 18 49.149 20.839 64.786 1.00 0.00 O ATOM 275 NE2 GLN A 18 49.483 19.741 66.717 1.00 0.00 N ATOM 0 H GLN A 18 46.265 23.585 65.592 1.00 0.00 H new ATOM 0 HA GLN A 18 45.322 22.136 67.957 1.00 0.00 H new ATOM 0 HB2 GLN A 18 48.094 22.829 66.879 1.00 0.00 H new ATOM 0 HB3 GLN A 18 47.774 21.825 68.279 1.00 0.00 H new ATOM 0 HG2 GLN A 18 46.929 20.021 66.949 1.00 0.00 H new ATOM 0 HG3 GLN A 18 46.681 21.044 65.548 1.00 0.00 H new ATOM 0 HE21 GLN A 18 49.109 19.467 67.626 1.00 0.00 H new ATOM 0 HE22 GLN A 18 50.420 19.447 66.442 1.00 0.00 H new ATOM 284 N GLU A 19 46.059 25.368 68.031 1.00 0.00 N ATOM 285 CA GLU A 19 46.076 26.552 68.914 1.00 0.00 C ATOM 286 C GLU A 19 44.566 26.893 69.227 1.00 0.00 C ATOM 287 O GLU A 19 43.749 27.082 68.329 1.00 0.00 O ATOM 288 CB GLU A 19 46.758 27.800 68.302 1.00 0.00 C ATOM 289 CG GLU A 19 48.293 27.728 68.074 1.00 0.00 C ATOM 290 CD GLU A 19 49.045 27.941 69.386 1.00 0.00 C ATOM 291 OE1 GLU A 19 49.234 27.082 70.228 1.00 0.00 O ATOM 292 OE2 GLU A 19 49.485 29.199 69.504 1.00 0.00 O ATOM 0 H GLU A 19 45.952 25.600 67.044 1.00 0.00 H new ATOM 0 HA GLU A 19 46.663 26.307 69.799 1.00 0.00 H new ATOM 0 HB2 GLU A 19 46.283 28.009 67.343 1.00 0.00 H new ATOM 0 HB3 GLU A 19 46.552 28.651 68.952 1.00 0.00 H new ATOM 0 HG2 GLU A 19 48.558 26.759 67.651 1.00 0.00 H new ATOM 0 HG3 GLU A 19 48.594 28.485 67.350 1.00 0.00 H new ATOM 300 N ASP A 20 44.243 27.017 70.572 1.00 0.00 N ATOM 301 CA ASP A 20 42.923 27.122 71.209 1.00 0.00 C ATOM 302 C ASP A 20 42.019 28.365 70.857 1.00 0.00 C ATOM 303 O ASP A 20 40.900 28.475 71.376 1.00 0.00 O ATOM 304 CB ASP A 20 42.120 25.814 71.305 1.00 0.00 C ATOM 305 CG ASP A 20 41.471 25.274 70.008 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.130 26.101 69.156 1.00 0.00 O ATOM 307 OD2 ASP A 20 41.315 24.048 69.960 1.00 0.00 O ATOM 0 H ASP A 20 44.984 27.046 71.272 1.00 0.00 H new ATOM 0 HA ASP A 20 43.259 27.350 72.221 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.782 25.041 71.696 1.00 0.00 H new ATOM 0 HB3 ASP A 20 41.329 25.959 72.041 1.00 0.00 H new ATOM 312 N SER A 21 42.530 29.374 70.075 1.00 0.00 N ATOM 313 CA SER A 21 41.765 30.566 69.745 1.00 0.00 C ATOM 314 C SER A 21 42.242 31.077 68.369 1.00 0.00 C ATOM 315 O SER A 21 43.388 30.900 67.940 1.00 0.00 O ATOM 316 CB SER A 21 41.898 31.725 70.776 1.00 0.00 C ATOM 317 OG SER A 21 41.213 31.472 71.998 1.00 0.00 O ATOM 0 H SER A 21 43.469 29.358 69.676 1.00 0.00 H new ATOM 0 HA SER A 21 40.715 30.274 69.748 1.00 0.00 H new ATOM 0 HB2 SER A 21 42.954 31.895 70.988 1.00 0.00 H new ATOM 0 HB3 SER A 21 41.510 32.642 70.333 1.00 0.00 H new ATOM 0 HG SER A 21 41.864 31.372 72.723 1.00 0.00 H new ATOM 323 N CYS A 22 41.276 31.767 67.670 1.00 0.00 N ATOM 324 CA CYS A 22 41.604 32.257 66.341 1.00 0.00 C ATOM 325 C CYS A 22 41.112 33.699 66.114 1.00 0.00 C ATOM 326 O CYS A 22 40.155 34.179 66.718 1.00 0.00 O ATOM 327 CB CYS A 22 41.148 31.268 65.236 1.00 0.00 C ATOM 328 SG CYS A 22 39.349 31.195 64.958 1.00 0.00 S ATOM 0 H CYS A 22 40.333 31.971 68.002 1.00 0.00 H new ATOM 0 HA CYS A 22 42.691 32.307 66.270 1.00 0.00 H new ATOM 0 HB2 CYS A 22 41.634 31.544 64.300 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.501 30.270 65.496 1.00 0.00 H new ATOM 333 N TYR A 23 41.839 34.390 65.166 1.00 0.00 N ATOM 334 CA TYR A 23 41.695 35.840 65.023 1.00 0.00 C ATOM 335 C TYR A 23 41.067 36.147 63.645 1.00 0.00 C ATOM 336 O TYR A 23 41.577 35.763 62.591 1.00 0.00 O ATOM 337 CB TYR A 23 43.044 36.614 65.179 1.00 0.00 C ATOM 338 CG TYR A 23 44.171 36.187 64.257 1.00 0.00 C ATOM 339 CD1 TYR A 23 44.335 36.763 63.000 1.00 0.00 C ATOM 340 CD2 TYR A 23 45.135 35.269 64.671 1.00 0.00 C ATOM 341 CE1 TYR A 23 45.447 36.513 62.210 1.00 0.00 C ATOM 342 CE2 TYR A 23 46.264 35.011 63.907 1.00 0.00 C ATOM 343 CZ TYR A 23 46.453 35.660 62.673 1.00 0.00 C ATOM 344 OH TYR A 23 47.599 35.422 61.970 1.00 0.00 O ATOM 0 H TYR A 23 42.503 33.960 64.522 1.00 0.00 H new ATOM 0 HA TYR A 23 41.049 36.185 65.831 1.00 0.00 H new ATOM 0 HB2 TYR A 23 42.851 37.674 65.017 1.00 0.00 H new ATOM 0 HB3 TYR A 23 43.384 36.506 66.209 1.00 0.00 H new ATOM 0 HD1 TYR A 23 43.570 37.428 62.627 1.00 0.00 H new ATOM 0 HD2 TYR A 23 45.000 34.747 65.607 1.00 0.00 H new ATOM 0 HE1 TYR A 23 45.536 36.977 61.239 1.00 0.00 H new ATOM 0 HE2 TYR A 23 47.003 34.307 64.262 1.00 0.00 H new ATOM 0 HH TYR A 23 48.167 34.799 62.471 1.00 0.00 H new ATOM 354 N LYS A 24 39.870 36.867 63.684 1.00 0.00 N ATOM 355 CA LYS A 24 39.280 37.338 62.448 1.00 0.00 C ATOM 356 C LYS A 24 40.053 38.645 62.077 1.00 0.00 C ATOM 357 O LYS A 24 40.174 39.618 62.821 1.00 0.00 O ATOM 358 CB LYS A 24 37.770 37.641 62.436 1.00 0.00 C ATOM 359 CG LYS A 24 36.794 36.581 62.983 1.00 0.00 C ATOM 360 CD LYS A 24 35.414 36.777 62.315 1.00 0.00 C ATOM 361 CE LYS A 24 34.199 36.161 63.030 1.00 0.00 C ATOM 362 NZ LYS A 24 33.177 35.656 62.006 1.00 0.00 N ATOM 0 H LYS A 24 39.354 37.100 64.532 1.00 0.00 H new ATOM 0 HA LYS A 24 39.371 36.514 61.740 1.00 0.00 H new ATOM 0 HB2 LYS A 24 37.613 38.558 63.004 1.00 0.00 H new ATOM 0 HB3 LYS A 24 37.484 37.852 61.405 1.00 0.00 H new ATOM 0 HG2 LYS A 24 37.172 35.579 62.779 1.00 0.00 H new ATOM 0 HG3 LYS A 24 36.705 36.674 64.065 1.00 0.00 H new ATOM 0 HD2 LYS A 24 35.238 37.847 62.209 1.00 0.00 H new ATOM 0 HD3 LYS A 24 35.462 36.360 61.309 1.00 0.00 H new ATOM 0 HE2 LYS A 24 34.523 35.338 63.667 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.736 36.904 63.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.757 34.767 62.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.429 36.368 61.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.651 35.490 61.095 1.00 0.00 H new ATOM 376 N ASN A 25 40.541 38.645 60.796 1.00 0.00 N ATOM 377 CA ASN A 25 41.320 39.719 60.168 1.00 0.00 C ATOM 378 C ASN A 25 40.273 40.097 59.055 1.00 0.00 C ATOM 379 O ASN A 25 40.064 39.391 58.069 1.00 0.00 O ATOM 380 CB ASN A 25 42.643 39.129 59.732 1.00 0.00 C ATOM 381 CG ASN A 25 43.793 40.013 59.256 1.00 0.00 C ATOM 382 OD1 ASN A 25 43.695 41.326 59.539 1.00 0.00 O flip ATOM 383 ND2 ASN A 25 44.764 39.554 58.683 1.00 0.00 N flip ATOM 0 H ASN A 25 40.387 37.859 60.164 1.00 0.00 H new ATOM 0 HA ASN A 25 41.639 40.595 60.732 1.00 0.00 H new ATOM 0 HB2 ASN A 25 43.020 38.543 60.570 1.00 0.00 H new ATOM 0 HB3 ASN A 25 42.427 38.429 58.925 1.00 0.00 H new ATOM 0 HD21 ASN A 25 44.812 38.555 58.481 1.00 0.00 H new ATOM 0 HD22 ASN A 25 45.529 40.168 58.405 1.00 0.00 H new ATOM 390 N ILE A 26 39.542 41.249 59.309 1.00 0.00 N ATOM 391 CA ILE A 26 38.231 41.574 58.675 1.00 0.00 C ATOM 392 C ILE A 26 38.249 42.785 57.674 1.00 0.00 C ATOM 393 O ILE A 26 37.235 43.386 57.323 1.00 0.00 O ATOM 394 CB ILE A 26 37.229 41.787 59.835 1.00 0.00 C ATOM 395 CG1 ILE A 26 37.467 42.962 60.826 1.00 0.00 C ATOM 396 CG2 ILE A 26 37.154 40.509 60.699 1.00 0.00 C ATOM 397 CD1 ILE A 26 37.667 44.383 60.291 1.00 0.00 C ATOM 0 H ILE A 26 39.859 41.967 59.961 1.00 0.00 H new ATOM 0 HA ILE A 26 37.940 40.745 58.030 1.00 0.00 H new ATOM 0 HB ILE A 26 36.318 42.041 59.293 1.00 0.00 H new ATOM 0 HG12 ILE A 26 36.617 42.989 61.508 1.00 0.00 H new ATOM 0 HG13 ILE A 26 38.346 42.712 61.421 1.00 0.00 H new ATOM 0 HG21 ILE A 26 36.448 40.662 61.515 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.822 39.673 60.084 1.00 0.00 H new ATOM 0 HG23 ILE A 26 38.140 40.289 61.109 1.00 0.00 H new ATOM 0 HD11 ILE A 26 37.819 45.068 61.125 1.00 0.00 H new ATOM 0 HD12 ILE A 26 38.540 44.407 59.639 1.00 0.00 H new ATOM 0 HD13 ILE A 26 36.785 44.687 59.728 1.00 0.00 H new ATOM 409 N TRP A 27 39.494 43.054 57.177 1.00 0.00 N ATOM 410 CA TRP A 27 40.009 44.197 56.429 1.00 0.00 C ATOM 411 C TRP A 27 40.964 43.530 55.379 1.00 0.00 C ATOM 412 O TRP A 27 40.564 43.180 54.273 1.00 0.00 O ATOM 413 CB TRP A 27 40.748 45.260 57.340 1.00 0.00 C ATOM 414 CG TRP A 27 41.235 44.737 58.674 1.00 0.00 C ATOM 415 CD1 TRP A 27 41.612 43.400 58.953 1.00 0.00 C ATOM 416 CD2 TRP A 27 41.287 45.359 59.922 1.00 0.00 C ATOM 417 NE1 TRP A 27 41.787 43.157 60.288 1.00 0.00 N ATOM 418 CE2 TRP A 27 41.605 44.392 60.878 1.00 0.00 C ATOM 419 CE3 TRP A 27 40.992 46.665 60.390 1.00 0.00 C ATOM 420 CZ2 TRP A 27 41.646 44.597 62.218 1.00 0.00 C ATOM 421 CZ3 TRP A 27 41.018 46.912 61.755 1.00 0.00 C ATOM 422 CH2 TRP A 27 41.347 45.887 62.666 1.00 0.00 C ATOM 0 H TRP A 27 40.240 42.373 57.322 1.00 0.00 H new ATOM 0 HA TRP A 27 39.215 44.786 55.970 1.00 0.00 H new ATOM 0 HB2 TRP A 27 41.601 45.656 56.790 1.00 0.00 H new ATOM 0 HB3 TRP A 27 40.070 46.094 57.520 1.00 0.00 H new ATOM 0 HD1 TRP A 27 41.748 42.649 58.189 1.00 0.00 H new ATOM 0 HE1 TRP A 27 42.002 42.269 60.742 1.00 0.00 H new ATOM 0 HE3 TRP A 27 40.751 47.455 59.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 41.897 43.803 62.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 40.784 47.900 62.124 1.00 0.00 H new ATOM 0 HH2 TRP A 27 41.368 46.102 63.724 1.00 0.00 H new ATOM 433 N THR A 28 42.272 43.346 55.802 1.00 0.00 N ATOM 434 CA THR A 28 43.333 42.629 55.092 1.00 0.00 C ATOM 435 C THR A 28 43.873 43.616 53.990 1.00 0.00 C ATOM 436 O THR A 28 44.695 44.477 54.304 1.00 0.00 O ATOM 437 CB THR A 28 43.044 41.204 54.587 1.00 0.00 C ATOM 438 OG1 THR A 28 44.201 40.596 54.016 1.00 0.00 O ATOM 439 CG2 THR A 28 42.365 40.276 55.608 1.00 0.00 C ATOM 0 H THR A 28 42.598 43.723 56.692 1.00 0.00 H new ATOM 0 HA THR A 28 44.100 42.372 55.823 1.00 0.00 H new ATOM 0 HB THR A 28 42.303 41.342 53.800 1.00 0.00 H new ATOM 0 HG1 THR A 28 44.236 40.795 53.057 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.204 39.296 55.158 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.003 40.172 56.486 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.406 40.701 55.905 1.00 0.00 H new ATOM 447 N PHE A 29 43.448 43.476 52.671 1.00 0.00 N ATOM 448 CA PHE A 29 43.822 44.487 51.687 1.00 0.00 C ATOM 449 C PHE A 29 42.722 44.456 50.579 1.00 0.00 C ATOM 450 O PHE A 29 43.018 44.483 49.387 1.00 0.00 O ATOM 451 CB PHE A 29 45.251 44.359 51.143 1.00 0.00 C ATOM 452 CG PHE A 29 45.630 45.645 50.438 1.00 0.00 C ATOM 453 CD1 PHE A 29 45.645 46.858 51.138 1.00 0.00 C ATOM 454 CD2 PHE A 29 45.916 45.674 49.071 1.00 0.00 C ATOM 455 CE1 PHE A 29 45.873 48.069 50.489 1.00 0.00 C ATOM 456 CE2 PHE A 29 46.164 46.876 48.408 1.00 0.00 C ATOM 457 CZ PHE A 29 46.126 48.085 49.113 1.00 0.00 C ATOM 0 H PHE A 29 42.880 42.707 52.316 1.00 0.00 H new ATOM 0 HA PHE A 29 43.858 45.465 52.166 1.00 0.00 H new ATOM 0 HB2 PHE A 29 45.947 44.158 51.958 1.00 0.00 H new ATOM 0 HB3 PHE A 29 45.317 43.518 50.452 1.00 0.00 H new ATOM 0 HD1 PHE A 29 45.476 46.854 52.205 1.00 0.00 H new ATOM 0 HD2 PHE A 29 45.946 44.748 48.517 1.00 0.00 H new ATOM 0 HE1 PHE A 29 45.855 48.994 51.047 1.00 0.00 H new ATOM 0 HE2 PHE A 29 46.385 46.874 47.351 1.00 0.00 H new ATOM 0 HZ PHE A 29 46.290 49.021 48.600 1.00 0.00 H new ATOM 467 N ASP A 30 41.404 44.484 51.033 1.00 0.00 N ATOM 468 CA ASP A 30 40.350 44.171 50.089 1.00 0.00 C ATOM 469 C ASP A 30 38.932 44.426 50.685 1.00 0.00 C ATOM 470 O ASP A 30 38.049 44.841 49.935 1.00 0.00 O ATOM 471 CB ASP A 30 40.410 42.759 49.467 1.00 0.00 C ATOM 472 CG ASP A 30 40.656 41.520 50.368 1.00 0.00 C ATOM 473 OD1 ASP A 30 41.181 41.699 51.471 1.00 0.00 O ATOM 474 OD2 ASP A 30 40.366 40.443 49.829 1.00 0.00 O ATOM 0 H ASP A 30 41.105 44.707 51.982 1.00 0.00 H new ATOM 0 HA ASP A 30 40.536 44.866 49.270 1.00 0.00 H new ATOM 0 HB2 ASP A 30 39.468 42.596 48.943 1.00 0.00 H new ATOM 0 HB3 ASP A 30 41.196 42.771 48.712 1.00 0.00 H new ATOM 479 N ASN A 31 38.716 44.200 52.035 1.00 0.00 N ATOM 480 CA ASN A 31 37.444 44.351 52.778 1.00 0.00 C ATOM 481 C ASN A 31 36.797 42.933 52.766 1.00 0.00 C ATOM 482 O ASN A 31 35.765 42.709 52.135 1.00 0.00 O ATOM 483 CB ASN A 31 36.521 45.491 52.320 1.00 0.00 C ATOM 484 CG ASN A 31 35.648 45.978 53.465 1.00 0.00 C ATOM 485 OD1 ASN A 31 35.827 47.035 54.040 1.00 0.00 O ATOM 486 ND2 ASN A 31 34.654 45.133 53.815 1.00 0.00 N ATOM 0 H ASN A 31 39.474 43.894 52.644 1.00 0.00 H new ATOM 0 HA ASN A 31 37.641 44.691 53.795 1.00 0.00 H new ATOM 0 HB2 ASN A 31 37.120 46.317 51.938 1.00 0.00 H new ATOM 0 HB3 ASN A 31 35.892 45.147 51.499 1.00 0.00 H new ATOM 0 HD21 ASN A 31 34.026 45.374 54.582 1.00 0.00 H new ATOM 0 HD22 ASN A 31 34.531 44.254 53.312 1.00 0.00 H new ATOM 493 N ILE A 32 37.424 41.968 53.542 1.00 0.00 N ATOM 494 CA ILE A 32 36.983 40.573 53.487 1.00 0.00 C ATOM 495 C ILE A 32 37.353 39.808 54.809 1.00 0.00 C ATOM 496 O ILE A 32 38.243 40.232 55.544 1.00 0.00 O ATOM 497 CB ILE A 32 37.656 39.805 52.303 1.00 0.00 C ATOM 498 CG1 ILE A 32 36.835 38.650 51.684 1.00 0.00 C ATOM 499 CG2 ILE A 32 39.060 39.306 52.722 1.00 0.00 C ATOM 500 CD1 ILE A 32 35.709 39.089 50.732 1.00 0.00 C ATOM 0 H ILE A 32 38.201 42.150 54.177 1.00 0.00 H new ATOM 0 HA ILE A 32 35.902 40.601 53.351 1.00 0.00 H new ATOM 0 HB ILE A 32 37.725 40.542 51.503 1.00 0.00 H new ATOM 0 HG12 ILE A 32 37.514 37.993 51.141 1.00 0.00 H new ATOM 0 HG13 ILE A 32 36.399 38.061 52.491 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.520 38.772 51.890 1.00 0.00 H new ATOM 0 HG22 ILE A 32 39.682 40.158 52.995 1.00 0.00 H new ATOM 0 HG23 ILE A 32 38.968 38.635 53.576 1.00 0.00 H new ATOM 0 HD11 ILE A 32 35.192 38.209 50.350 1.00 0.00 H new ATOM 0 HD12 ILE A 32 35.002 39.720 51.271 1.00 0.00 H new ATOM 0 HD13 ILE A 32 36.134 39.650 49.900 1.00 0.00 H new ATOM 512 N ILE A 33 36.670 38.624 55.079 1.00 0.00 N ATOM 513 CA ILE A 33 37.114 37.768 56.199 1.00 0.00 C ATOM 514 C ILE A 33 38.184 36.788 55.578 1.00 0.00 C ATOM 515 O ILE A 33 37.852 35.806 54.915 1.00 0.00 O ATOM 516 CB ILE A 33 36.062 36.945 56.957 1.00 0.00 C ATOM 517 CG1 ILE A 33 34.800 37.689 57.465 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.756 36.166 58.096 1.00 0.00 C ATOM 519 CD1 ILE A 33 35.001 38.752 58.553 1.00 0.00 C ATOM 0 H ILE A 33 35.864 38.280 54.558 1.00 0.00 H new ATOM 0 HA ILE A 33 37.475 38.447 56.972 1.00 0.00 H new ATOM 0 HB ILE A 33 35.642 36.274 56.208 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.323 38.168 56.610 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.100 36.945 57.845 1.00 0.00 H new ATOM 0 HG21 ILE A 33 36.015 35.579 58.639 1.00 0.00 H new ATOM 0 HG22 ILE A 33 37.509 35.500 57.675 1.00 0.00 H new ATOM 0 HG23 ILE A 33 37.234 36.869 58.779 1.00 0.00 H new ATOM 0 HD11 ILE A 33 34.038 39.192 58.814 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.440 38.289 59.437 1.00 0.00 H new ATOM 0 HD13 ILE A 33 35.667 39.531 58.182 1.00 0.00 H new ATOM 531 N ARG A 34 39.522 37.048 55.822 1.00 0.00 N ATOM 532 CA ARG A 34 40.583 36.166 55.299 1.00 0.00 C ATOM 533 C ARG A 34 41.672 36.253 56.406 1.00 0.00 C ATOM 534 O ARG A 34 42.275 37.297 56.644 1.00 0.00 O ATOM 535 CB ARG A 34 41.093 36.529 53.898 1.00 0.00 C ATOM 536 CG ARG A 34 42.218 35.628 53.351 1.00 0.00 C ATOM 537 CD ARG A 34 42.359 35.688 51.814 1.00 0.00 C ATOM 538 NE ARG A 34 42.622 36.965 51.114 1.00 0.00 N ATOM 539 CZ ARG A 34 42.975 38.121 51.637 1.00 0.00 C ATOM 540 NH1 ARG A 34 43.825 38.177 52.621 1.00 0.00 N ATOM 541 NH2 ARG A 34 42.488 39.227 51.151 1.00 0.00 N ATOM 0 H ARG A 34 39.861 37.843 56.364 1.00 0.00 H new ATOM 0 HA ARG A 34 40.226 35.151 55.124 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.253 36.495 53.204 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.451 37.558 53.915 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.163 35.922 53.807 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.027 34.598 53.651 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.164 35.005 51.542 1.00 0.00 H new ATOM 0 HD3 ARG A 34 41.440 35.280 51.395 1.00 0.00 H new ATOM 0 HE ARG A 34 42.517 36.948 50.100 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.227 37.318 52.997 1.00 0.00 H new ATOM 0 HH12 ARG A 34 44.089 39.080 53.016 1.00 0.00 H new ATOM 0 HH21 ARG A 34 41.835 39.196 50.368 1.00 0.00 H new ATOM 0 HH22 ARG A 34 42.759 40.124 51.554 1.00 0.00 H new ATOM 555 N ARG A 35 41.914 35.087 57.139 1.00 0.00 N ATOM 556 CA ARG A 35 42.457 35.256 58.480 1.00 0.00 C ATOM 557 C ARG A 35 43.178 34.019 59.092 1.00 0.00 C ATOM 558 O ARG A 35 43.402 33.037 58.392 1.00 0.00 O ATOM 559 CB ARG A 35 41.283 35.749 59.350 1.00 0.00 C ATOM 560 CG ARG A 35 40.076 34.795 59.537 1.00 0.00 C ATOM 561 CD ARG A 35 40.347 33.596 60.465 1.00 0.00 C ATOM 562 NE ARG A 35 39.212 32.960 61.170 1.00 0.00 N ATOM 563 CZ ARG A 35 37.925 33.004 60.892 1.00 0.00 C ATOM 564 NH1 ARG A 35 37.476 33.265 59.699 1.00 0.00 N ATOM 565 NH2 ARG A 35 37.052 32.797 61.841 1.00 0.00 N ATOM 0 H ARG A 35 41.748 34.130 56.828 1.00 0.00 H new ATOM 0 HA ARG A 35 43.274 35.976 58.435 1.00 0.00 H new ATOM 0 HB2 ARG A 35 41.676 35.991 60.338 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.912 36.678 58.918 1.00 0.00 H new ATOM 0 HG2 ARG A 35 39.237 35.365 59.936 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.770 34.420 58.560 1.00 0.00 H new ATOM 0 HD2 ARG A 35 40.838 32.825 59.871 1.00 0.00 H new ATOM 0 HD3 ARG A 35 41.063 33.920 61.220 1.00 0.00 H new ATOM 0 HE ARG A 35 39.462 32.407 61.990 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.129 33.445 58.936 1.00 0.00 H new ATOM 0 HH12 ARG A 35 36.471 33.289 59.526 1.00 0.00 H new ATOM 0 HH21 ARG A 35 37.368 32.603 62.791 1.00 0.00 H new ATOM 0 HH22 ARG A 35 36.054 32.830 61.632 1.00 0.00 H new ATOM 579 N GLY A 36 43.617 34.134 60.415 1.00 0.00 N ATOM 580 CA GLY A 36 44.530 33.097 60.961 1.00 0.00 C ATOM 581 C GLY A 36 44.123 32.358 62.254 1.00 0.00 C ATOM 582 O GLY A 36 43.231 32.785 62.976 1.00 0.00 O ATOM 0 H GLY A 36 43.363 34.883 61.059 1.00 0.00 H new ATOM 0 HA2 GLY A 36 44.680 32.347 60.185 1.00 0.00 H new ATOM 0 HA3 GLY A 36 45.496 33.568 61.140 1.00 0.00 H new ATOM 586 N CYS A 37 44.882 31.232 62.532 1.00 0.00 N ATOM 587 CA CYS A 37 44.726 30.404 63.746 1.00 0.00 C ATOM 588 C CYS A 37 46.015 30.653 64.607 1.00 0.00 C ATOM 589 O CYS A 37 47.127 30.281 64.230 1.00 0.00 O ATOM 590 CB CYS A 37 44.581 28.895 63.516 1.00 0.00 C ATOM 591 SG CYS A 37 44.609 28.053 65.136 1.00 0.00 S ATOM 0 H CYS A 37 45.612 30.893 61.906 1.00 0.00 H new ATOM 0 HA CYS A 37 43.791 30.702 64.221 1.00 0.00 H new ATOM 0 HB2 CYS A 37 43.649 28.680 62.994 1.00 0.00 H new ATOM 0 HB3 CYS A 37 45.391 28.529 62.885 1.00 0.00 H new ATOM 596 N GLY A 38 45.863 31.363 65.795 1.00 0.00 N ATOM 597 CA GLY A 38 47.050 31.565 66.623 1.00 0.00 C ATOM 598 C GLY A 38 46.517 32.075 67.964 1.00 0.00 C ATOM 599 O GLY A 38 46.505 31.363 68.961 1.00 0.00 O ATOM 0 H GLY A 38 44.993 31.761 66.148 1.00 0.00 H new ATOM 0 HA2 GLY A 38 47.607 30.636 66.747 1.00 0.00 H new ATOM 0 HA3 GLY A 38 47.730 32.286 66.169 1.00 0.00 H new ATOM 603 N CYS A 39 46.046 33.379 67.939 1.00 0.00 N ATOM 604 CA CYS A 39 45.381 33.995 69.080 1.00 0.00 C ATOM 605 C CYS A 39 46.329 34.456 70.226 1.00 0.00 C ATOM 606 O CYS A 39 47.544 34.560 70.089 1.00 0.00 O ATOM 607 CB CYS A 39 44.494 35.166 68.590 1.00 0.00 C ATOM 608 SG CYS A 39 43.693 36.124 69.920 1.00 0.00 S ATOM 0 H CYS A 39 46.131 33.992 67.128 1.00 0.00 H new ATOM 0 HA CYS A 39 44.770 33.213 69.531 1.00 0.00 H new ATOM 0 HB2 CYS A 39 45.106 35.842 67.992 1.00 0.00 H new ATOM 0 HB3 CYS A 39 43.722 34.768 67.932 1.00 0.00 H new ATOM 613 N PHE A 40 45.654 34.751 71.393 1.00 0.00 N ATOM 614 CA PHE A 40 46.279 35.089 72.660 1.00 0.00 C ATOM 615 C PHE A 40 47.182 36.364 72.471 1.00 0.00 C ATOM 616 O PHE A 40 48.279 36.415 73.020 1.00 0.00 O ATOM 617 CB PHE A 40 46.955 33.867 73.335 1.00 0.00 C ATOM 618 CG PHE A 40 46.116 32.600 73.167 1.00 0.00 C ATOM 619 CD1 PHE A 40 44.900 32.424 73.841 1.00 0.00 C ATOM 620 CD2 PHE A 40 46.478 31.618 72.232 1.00 0.00 C ATOM 621 CE1 PHE A 40 44.078 31.328 73.587 1.00 0.00 C ATOM 622 CE2 PHE A 40 45.666 30.517 71.965 1.00 0.00 C ATOM 623 CZ PHE A 40 44.468 30.360 72.662 1.00 0.00 C ATOM 0 H PHE A 40 44.635 34.751 71.444 1.00 0.00 H new ATOM 0 HA PHE A 40 45.519 35.365 73.391 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.943 33.711 72.902 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.101 34.070 74.396 1.00 0.00 H new ATOM 0 HD1 PHE A 40 44.593 33.155 74.574 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.414 31.718 71.703 1.00 0.00 H new ATOM 0 HE1 PHE A 40 43.137 31.228 74.107 1.00 0.00 H new ATOM 0 HE2 PHE A 40 45.962 29.790 71.223 1.00 0.00 H new ATOM 0 HZ PHE A 40 43.846 29.494 72.486 1.00 0.00 H new ATOM 735 N GLY A 48 45.143 44.517 67.982 1.00 0.00 N ATOM 736 CA GLY A 48 45.331 43.434 66.998 1.00 0.00 C ATOM 737 C GLY A 48 44.039 43.026 66.231 1.00 0.00 C ATOM 738 O GLY A 48 42.966 43.553 66.514 1.00 0.00 O ATOM 0 HA2 GLY A 48 46.085 43.745 66.275 1.00 0.00 H new ATOM 0 HA3 GLY A 48 45.725 42.557 67.512 1.00 0.00 H new ATOM 742 N PRO A 49 44.173 42.075 65.209 1.00 0.00 N ATOM 743 CA PRO A 49 42.945 41.449 64.684 1.00 0.00 C ATOM 744 C PRO A 49 42.217 40.902 65.960 1.00 0.00 C ATOM 745 O PRO A 49 42.792 40.383 66.919 1.00 0.00 O ATOM 746 CB PRO A 49 43.390 40.339 63.737 1.00 0.00 C ATOM 747 CG PRO A 49 44.663 39.879 64.432 1.00 0.00 C ATOM 748 CD PRO A 49 45.305 41.189 64.920 1.00 0.00 C ATOM 0 HA PRO A 49 42.278 42.108 64.129 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.651 39.542 63.655 1.00 0.00 H new ATOM 0 HB3 PRO A 49 43.577 40.705 62.728 1.00 0.00 H new ATOM 0 HG2 PRO A 49 44.446 39.206 65.262 1.00 0.00 H new ATOM 0 HG3 PRO A 49 45.320 39.341 63.749 1.00 0.00 H new ATOM 0 HD2 PRO A 49 45.915 41.024 65.808 1.00 0.00 H new ATOM 0 HD3 PRO A 49 45.958 41.617 64.160 1.00 0.00 H new ATOM 756 N TYR A 50 40.840 41.045 65.934 1.00 0.00 N ATOM 757 CA TYR A 50 40.062 40.619 67.101 1.00 0.00 C ATOM 758 C TYR A 50 39.905 39.075 67.161 1.00 0.00 C ATOM 759 O TYR A 50 39.953 38.403 66.133 1.00 0.00 O ATOM 760 CB TYR A 50 38.667 41.318 67.253 1.00 0.00 C ATOM 761 CG TYR A 50 37.651 40.912 66.213 1.00 0.00 C ATOM 762 CD1 TYR A 50 36.910 39.737 66.342 1.00 0.00 C ATOM 763 CD2 TYR A 50 37.372 41.731 65.123 1.00 0.00 C ATOM 764 CE1 TYR A 50 35.914 39.399 65.441 1.00 0.00 C ATOM 765 CE2 TYR A 50 36.365 41.424 64.222 1.00 0.00 C ATOM 766 CZ TYR A 50 35.601 40.264 64.380 1.00 0.00 C ATOM 767 OH TYR A 50 34.562 39.953 63.548 1.00 0.00 O ATOM 0 H TYR A 50 40.301 41.429 65.158 1.00 0.00 H new ATOM 0 HA TYR A 50 40.655 40.951 67.953 1.00 0.00 H new ATOM 0 HB2 TYR A 50 38.267 41.093 68.242 1.00 0.00 H new ATOM 0 HB3 TYR A 50 38.808 42.398 67.204 1.00 0.00 H new ATOM 0 HD1 TYR A 50 37.119 39.073 67.167 1.00 0.00 H new ATOM 0 HD2 TYR A 50 37.955 42.628 64.976 1.00 0.00 H new ATOM 0 HE1 TYR A 50 35.377 38.469 65.555 1.00 0.00 H new ATOM 0 HE2 TYR A 50 36.169 42.086 63.391 1.00 0.00 H new ATOM 0 HH TYR A 50 34.470 40.649 62.865 1.00 0.00 H new ATOM 777 N CYS A 51 39.701 38.515 68.415 1.00 0.00 N ATOM 778 CA CYS A 51 39.738 37.056 68.579 1.00 0.00 C ATOM 779 C CYS A 51 38.459 36.459 69.248 1.00 0.00 C ATOM 780 O CYS A 51 37.863 36.982 70.185 1.00 0.00 O ATOM 781 CB CYS A 51 40.970 36.601 69.376 1.00 0.00 C ATOM 782 SG CYS A 51 42.513 37.265 68.684 1.00 0.00 S ATOM 0 H CYS A 51 39.520 39.045 69.268 1.00 0.00 H new ATOM 0 HA CYS A 51 39.789 36.672 67.560 1.00 0.00 H new ATOM 0 HB2 CYS A 51 40.870 36.923 70.413 1.00 0.00 H new ATOM 0 HB3 CYS A 51 41.015 35.512 69.383 1.00 0.00 H new ATOM 787 N CYS A 52 38.098 35.244 68.707 1.00 0.00 N ATOM 788 CA CYS A 52 36.999 34.388 69.144 1.00 0.00 C ATOM 789 C CYS A 52 37.545 32.995 69.589 1.00 0.00 C ATOM 790 O CYS A 52 38.626 32.556 69.191 1.00 0.00 O ATOM 791 CB CYS A 52 36.066 34.178 67.967 1.00 0.00 C ATOM 792 SG CYS A 52 34.541 33.228 68.250 1.00 0.00 S ATOM 0 H CYS A 52 38.606 34.842 67.920 1.00 0.00 H new ATOM 0 HA CYS A 52 36.483 34.859 69.981 1.00 0.00 H new ATOM 0 HB2 CYS A 52 35.783 35.159 67.585 1.00 0.00 H new ATOM 0 HB3 CYS A 52 36.629 33.679 67.178 1.00 0.00 H new ATOM 797 N GLU A 53 36.691 32.266 70.387 1.00 0.00 N ATOM 798 CA GLU A 53 37.092 30.974 70.953 1.00 0.00 C ATOM 799 C GLU A 53 35.898 29.969 70.840 1.00 0.00 C ATOM 800 O GLU A 53 35.501 29.343 71.820 1.00 0.00 O ATOM 801 CB GLU A 53 37.695 31.109 72.371 1.00 0.00 C ATOM 802 CG GLU A 53 36.897 31.825 73.486 1.00 0.00 C ATOM 803 CD GLU A 53 36.787 33.324 73.220 1.00 0.00 C ATOM 804 OE1 GLU A 53 37.707 34.119 73.273 1.00 0.00 O ATOM 805 OE2 GLU A 53 35.537 33.688 72.935 1.00 0.00 O ATOM 0 H GLU A 53 35.747 32.562 70.635 1.00 0.00 H new ATOM 0 HA GLU A 53 37.914 30.559 70.370 1.00 0.00 H new ATOM 0 HB2 GLU A 53 37.917 30.103 72.726 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.648 31.628 72.270 1.00 0.00 H new ATOM 0 HG2 GLU A 53 35.899 31.392 73.556 1.00 0.00 H new ATOM 0 HG3 GLU A 53 37.384 31.660 74.447 1.00 0.00 H new ATOM 813 N SER A 54 35.372 29.784 69.573 1.00 0.00 N ATOM 814 CA SER A 54 34.305 28.812 69.284 1.00 0.00 C ATOM 815 C SER A 54 34.561 28.077 67.928 1.00 0.00 C ATOM 816 O SER A 54 35.494 28.431 67.205 1.00 0.00 O ATOM 817 CB SER A 54 32.885 29.419 69.249 1.00 0.00 C ATOM 818 OG SER A 54 32.585 30.256 68.137 1.00 0.00 O ATOM 0 H SER A 54 35.686 30.306 68.755 1.00 0.00 H new ATOM 0 HA SER A 54 34.342 28.111 70.118 1.00 0.00 H new ATOM 0 HB2 SER A 54 32.163 28.602 69.267 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.737 29.996 70.162 1.00 0.00 H new ATOM 0 HG SER A 54 33.309 30.904 68.010 1.00 0.00 H new ATOM 824 N ASP A 55 33.726 27.010 67.602 1.00 0.00 N ATOM 825 CA ASP A 55 33.908 26.407 66.269 1.00 0.00 C ATOM 826 C ASP A 55 33.416 27.490 65.242 1.00 0.00 C ATOM 827 O ASP A 55 32.298 28.001 65.305 1.00 0.00 O ATOM 828 CB ASP A 55 33.223 25.049 65.969 1.00 0.00 C ATOM 829 CG ASP A 55 33.709 24.456 64.611 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.888 24.691 64.313 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.892 23.806 63.955 1.00 0.00 O ATOM 0 H ASP A 55 33.001 26.604 68.194 1.00 0.00 H new ATOM 0 HA ASP A 55 34.963 26.140 66.200 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.438 24.345 66.773 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.142 25.183 65.943 1.00 0.00 H new ATOM 836 N LYS A 56 34.342 27.852 64.271 1.00 0.00 N ATOM 837 CA LYS A 56 34.097 28.707 63.116 1.00 0.00 C ATOM 838 C LYS A 56 34.019 30.218 63.488 1.00 0.00 C ATOM 839 O LYS A 56 34.818 31.005 62.987 1.00 0.00 O ATOM 840 CB LYS A 56 32.878 28.302 62.263 1.00 0.00 C ATOM 841 CG LYS A 56 32.855 26.816 61.843 1.00 0.00 C ATOM 842 CD LYS A 56 34.104 26.307 61.102 1.00 0.00 C ATOM 843 CE LYS A 56 34.009 24.820 60.744 1.00 0.00 C ATOM 844 NZ LYS A 56 34.382 23.986 61.984 1.00 0.00 N ATOM 0 H LYS A 56 35.307 27.523 64.307 1.00 0.00 H new ATOM 0 HA LYS A 56 34.976 28.549 62.491 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.969 28.522 62.823 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.857 28.920 61.366 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.714 26.208 62.737 1.00 0.00 H new ATOM 0 HG3 LYS A 56 31.986 26.652 61.205 1.00 0.00 H new ATOM 0 HD2 LYS A 56 34.244 26.888 60.191 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.984 26.472 61.724 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.999 24.575 60.414 1.00 0.00 H new ATOM 0 HE3 LYS A 56 34.680 24.587 59.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 34.973 23.181 61.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.909 24.580 62.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.516 23.634 62.439 1.00 0.00 H new ATOM 858 N CYS A 57 32.986 30.598 64.322 1.00 0.00 N ATOM 859 CA CYS A 57 32.636 31.964 64.714 1.00 0.00 C ATOM 860 C CYS A 57 31.819 32.685 63.569 1.00 0.00 C ATOM 861 O CYS A 57 31.838 33.915 63.512 1.00 0.00 O ATOM 862 CB CYS A 57 33.810 32.794 65.264 1.00 0.00 C ATOM 863 SG CYS A 57 34.664 31.956 66.648 1.00 0.00 S ATOM 0 H CYS A 57 32.364 29.908 64.743 1.00 0.00 H new ATOM 0 HA CYS A 57 31.976 31.880 65.578 1.00 0.00 H new ATOM 0 HB2 CYS A 57 34.523 32.986 64.463 1.00 0.00 H new ATOM 0 HB3 CYS A 57 33.441 33.763 65.601 1.00 0.00 H new ATOM 868 N ASN A 58 31.052 31.933 62.683 1.00 0.00 N ATOM 869 CA ASN A 58 30.190 32.480 61.627 1.00 0.00 C ATOM 870 C ASN A 58 31.137 33.241 60.643 1.00 0.00 C ATOM 871 O ASN A 58 31.178 34.470 60.646 1.00 0.00 O ATOM 872 CB ASN A 58 29.000 33.313 62.127 1.00 0.00 C ATOM 873 CG ASN A 58 27.894 33.312 61.079 1.00 0.00 C ATOM 874 OD1 ASN A 58 27.114 32.386 60.953 1.00 0.00 O ATOM 875 ND2 ASN A 58 27.837 34.409 60.294 1.00 0.00 N ATOM 0 H ASN A 58 31.039 30.913 62.711 1.00 0.00 H new ATOM 0 HA ASN A 58 29.673 31.669 61.114 1.00 0.00 H new ATOM 0 HB2 ASN A 58 28.625 32.903 63.065 1.00 0.00 H new ATOM 0 HB3 ASN A 58 29.320 34.335 62.331 1.00 0.00 H new ATOM 0 HD21 ASN A 58 27.124 34.480 59.568 1.00 0.00 H new ATOM 0 HD22 ASN A 58 28.507 35.167 60.427 1.00 0.00 H new ATOM 882 N LEU A 59 31.892 32.451 59.784 1.00 0.00 N ATOM 883 CA LEU A 59 32.891 32.943 58.816 1.00 0.00 C ATOM 884 C LEU A 59 34.023 33.642 59.688 1.00 0.00 C ATOM 885 O LEU A 59 33.992 34.874 59.769 1.00 0.00 O ATOM 886 CB LEU A 59 32.385 33.886 57.688 1.00 0.00 C ATOM 887 CG LEU A 59 31.833 33.344 56.344 1.00 0.00 C ATOM 888 CD1 LEU A 59 32.925 32.735 55.445 1.00 0.00 C ATOM 889 CD2 LEU A 59 30.682 32.340 56.506 1.00 0.00 C ATOM 890 OXT LEU A 59 34.826 32.883 60.239 1.00 0.00 O ATOM 0 H LEU A 59 31.800 31.435 59.767 1.00 0.00 H new ATOM 0 HA LEU A 59 33.241 32.086 58.240 1.00 0.00 H new ATOM 0 HB2 LEU A 59 31.599 34.502 58.124 1.00 0.00 H new ATOM 0 HB3 LEU A 59 33.212 34.552 57.441 1.00 0.00 H new ATOM 0 HG LEU A 59 31.433 34.231 55.852 1.00 0.00 H new ATOM 0 HD11 LEU A 59 32.475 32.374 54.520 1.00 0.00 H new ATOM 0 HD12 LEU A 59 33.671 33.495 55.213 1.00 0.00 H new ATOM 0 HD13 LEU A 59 33.403 31.904 55.965 1.00 0.00 H new ATOM 0 HD21 LEU A 59 30.349 32.006 55.523 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.026 31.482 57.083 1.00 0.00 H new ATOM 0 HD23 LEU A 59 29.852 32.818 57.027 1.00 0.00 H new