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= 0.149 K(o=1.5,f=-4.2) USER MOD Set 1.2: A 13 THR OG1 : rot -62:sc= 1.37 USER MOD Set 2.1: A 1 ARG N :NH3+ 149:sc= 2.2 (180deg=1.04) USER MOD Set 2.2: A 18 GLN : amide:sc= 0.064 K(o=2.3,f=-13!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.0174 K(o=-0.017,f=-0.93) USER MOD Single : A 9 THR OG1 : rot -1:sc= 0.677 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 21 SER OG : rot 39:sc= 1.2 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= -2.77! (180deg=-4.2!) USER MOD Single : A 25 ASN : amide:sc= -1.46! C(o=-1.5!,f=-4.6!) USER MOD Single : A 28 THR OG1 : rot -94:sc= 1.29 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 166:sc= -0.93! (180deg=-1.85!) USER MOD Single : A 58 ASN : amide:sc=-0.00528 X(o=-0.0053,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 38.767 22.366 66.735 1.00 0.00 N ATOM 2 CA ARG A 1 37.690 23.285 66.126 1.00 0.00 C ATOM 3 C ARG A 1 38.134 23.606 64.665 1.00 0.00 C ATOM 4 O ARG A 1 39.194 23.134 64.265 1.00 0.00 O ATOM 5 CB ARG A 1 37.522 24.549 66.979 1.00 0.00 C ATOM 6 CG ARG A 1 38.563 25.674 66.792 1.00 0.00 C ATOM 7 CD ARG A 1 38.227 26.930 67.622 1.00 0.00 C ATOM 8 NE ARG A 1 38.096 26.859 69.100 1.00 0.00 N ATOM 9 CZ ARG A 1 38.901 26.275 69.976 1.00 0.00 C ATOM 10 NH1 ARG A 1 39.856 25.473 69.609 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.725 26.487 71.253 1.00 0.00 N ATOM 0 H1 ARG A 1 38.831 22.537 67.759 1.00 0.00 H new ATOM 0 H2 ARG A 1 38.512 21.372 66.565 1.00 0.00 H new ATOM 0 H3 ARG A 1 39.686 22.568 66.292 1.00 0.00 H new ATOM 0 HA ARG A 1 36.714 22.801 66.109 1.00 0.00 H new ATOM 0 HB2 ARG A 1 36.536 24.965 66.774 1.00 0.00 H new ATOM 0 HB3 ARG A 1 37.531 24.252 68.028 1.00 0.00 H new ATOM 0 HG2 ARG A 1 39.548 25.305 67.079 1.00 0.00 H new ATOM 0 HG3 ARG A 1 38.618 25.943 65.737 1.00 0.00 H new ATOM 0 HD2 ARG A 1 38.996 27.671 67.405 1.00 0.00 H new ATOM 0 HD3 ARG A 1 37.287 27.325 67.237 1.00 0.00 H new ATOM 0 HE ARG A 1 37.277 27.322 69.493 1.00 0.00 H new ATOM 0 HH11 ARG A 1 40.004 25.276 68.619 1.00 0.00 H new ATOM 0 HH12 ARG A 1 40.457 25.041 70.311 1.00 0.00 H new ATOM 0 HH21 ARG A 1 37.972 27.098 71.570 1.00 0.00 H new ATOM 0 HH22 ARG A 1 39.340 26.041 71.934 1.00 0.00 H new ATOM 27 N ILE A 2 37.325 24.398 63.865 1.00 0.00 N ATOM 28 CA ILE A 2 37.701 24.717 62.466 1.00 0.00 C ATOM 29 C ILE A 2 37.401 26.237 62.175 1.00 0.00 C ATOM 30 O ILE A 2 36.380 26.792 62.578 1.00 0.00 O ATOM 31 CB ILE A 2 36.999 23.858 61.377 1.00 0.00 C ATOM 32 CG1 ILE A 2 37.309 22.345 61.548 1.00 0.00 C ATOM 33 CG2 ILE A 2 37.374 24.300 59.938 1.00 0.00 C ATOM 34 CD1 ILE A 2 36.437 21.378 60.726 1.00 0.00 C ATOM 0 H ILE A 2 36.441 24.806 64.170 1.00 0.00 H new ATOM 0 HA ILE A 2 38.764 24.484 62.397 1.00 0.00 H new ATOM 0 HB ILE A 2 35.930 24.021 61.517 1.00 0.00 H new ATOM 0 HG12 ILE A 2 38.353 22.176 61.282 1.00 0.00 H new ATOM 0 HG13 ILE A 2 37.204 22.090 62.603 1.00 0.00 H new ATOM 0 HG21 ILE A 2 36.857 23.668 59.217 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.079 25.338 59.788 1.00 0.00 H new ATOM 0 HG23 ILE A 2 38.451 24.205 59.797 1.00 0.00 H new ATOM 0 HD11 ILE A 2 36.744 20.351 60.926 1.00 0.00 H new ATOM 0 HD12 ILE A 2 35.391 21.505 61.005 1.00 0.00 H new ATOM 0 HD13 ILE A 2 36.558 21.592 59.664 1.00 0.00 H new ATOM 46 N CYS A 3 38.355 26.908 61.423 1.00 0.00 N ATOM 47 CA CYS A 3 38.200 28.296 60.967 1.00 0.00 C ATOM 48 C CYS A 3 38.775 28.401 59.496 1.00 0.00 C ATOM 49 O CYS A 3 39.651 27.622 59.127 1.00 0.00 O ATOM 50 CB CYS A 3 38.883 29.321 61.897 1.00 0.00 C ATOM 51 SG CYS A 3 38.631 28.857 63.659 1.00 0.00 S ATOM 0 H CYS A 3 39.235 26.481 61.134 1.00 0.00 H new ATOM 0 HA CYS A 3 37.139 28.545 60.986 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.949 29.368 61.676 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.475 30.315 61.714 1.00 0.00 H new ATOM 56 N TYR A 4 38.292 29.386 58.637 1.00 0.00 N ATOM 57 CA TYR A 4 38.620 29.312 57.185 1.00 0.00 C ATOM 58 C TYR A 4 39.710 30.344 56.731 1.00 0.00 C ATOM 59 O TYR A 4 39.749 31.459 57.242 1.00 0.00 O ATOM 60 CB TYR A 4 37.344 29.583 56.355 1.00 0.00 C ATOM 61 CG TYR A 4 36.099 28.951 56.954 1.00 0.00 C ATOM 62 CD1 TYR A 4 36.013 27.587 57.227 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.013 29.745 57.318 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.882 27.029 57.799 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.870 29.210 57.891 1.00 0.00 C ATOM 66 CZ TYR A 4 33.771 27.833 58.108 1.00 0.00 C ATOM 67 OH TYR A 4 32.641 27.244 58.594 1.00 0.00 O ATOM 0 H TYR A 4 37.716 30.179 58.918 1.00 0.00 H new ATOM 0 HA TYR A 4 39.017 28.311 57.017 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.194 30.659 56.271 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.487 29.202 55.344 1.00 0.00 H new ATOM 0 HD1 TYR A 4 36.850 26.949 56.986 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.064 30.810 57.148 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.853 25.970 58.009 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.053 29.859 58.171 1.00 0.00 H new ATOM 0 HH TYR A 4 31.961 27.929 58.761 1.00 0.00 H new ATOM 77 N ASN A 5 40.578 29.991 55.702 1.00 0.00 N ATOM 78 CA ASN A 5 41.609 30.935 55.214 1.00 0.00 C ATOM 79 C ASN A 5 41.471 30.950 53.671 1.00 0.00 C ATOM 80 O ASN A 5 42.407 30.666 52.930 1.00 0.00 O ATOM 81 CB ASN A 5 43.030 30.602 55.682 1.00 0.00 C ATOM 82 CG ASN A 5 44.016 31.716 55.325 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.701 32.886 55.197 1.00 0.00 O ATOM 84 ND2 ASN A 5 45.294 31.304 55.167 1.00 0.00 N ATOM 0 H ASN A 5 40.567 29.089 55.226 1.00 0.00 H new ATOM 0 HA ASN A 5 41.443 31.926 55.637 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.031 30.446 56.761 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.355 29.667 55.225 1.00 0.00 H new ATOM 0 HD21 ASN A 5 46.022 31.979 54.935 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.530 30.318 55.280 1.00 0.00 H new ATOM 91 N HIS A 6 40.215 31.324 53.236 1.00 0.00 N ATOM 92 CA HIS A 6 39.738 31.417 51.851 1.00 0.00 C ATOM 93 C HIS A 6 39.722 32.904 51.335 1.00 0.00 C ATOM 94 O HIS A 6 40.476 33.751 51.805 1.00 0.00 O ATOM 95 CB HIS A 6 40.275 30.315 50.847 1.00 0.00 C ATOM 96 CG HIS A 6 41.574 30.534 50.128 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.364 29.461 49.668 1.00 0.00 N ATOM 98 CD2 HIS A 6 42.245 31.629 49.667 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.443 29.866 49.008 1.00 0.00 C ATOM 100 NE2 HIS A 6 43.373 31.203 48.980 1.00 0.00 N ATOM 0 H HIS A 6 39.485 31.578 53.902 1.00 0.00 H new ATOM 0 HA HIS A 6 38.690 31.119 51.880 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.364 29.383 51.404 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.506 30.161 50.090 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.948 32.657 49.813 1.00 0.00 H new ATOM 0 HE1 HIS A 6 44.217 29.245 48.582 1.00 0.00 H new ATOM 0 HE2 HIS A 6 44.048 31.816 48.522 1.00 0.00 H new ATOM 109 N LEU A 7 38.767 33.226 50.385 1.00 0.00 N ATOM 110 CA LEU A 7 38.572 34.571 49.852 1.00 0.00 C ATOM 111 C LEU A 7 39.879 35.132 49.200 1.00 0.00 C ATOM 112 O LEU A 7 40.801 34.403 48.842 1.00 0.00 O ATOM 113 CB LEU A 7 37.863 35.547 50.816 1.00 0.00 C ATOM 114 CG LEU A 7 36.511 35.095 51.423 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.879 36.263 52.200 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.511 34.609 50.365 1.00 0.00 C ATOM 0 H LEU A 7 38.128 32.537 49.989 1.00 0.00 H new ATOM 0 HA LEU A 7 37.850 34.473 49.041 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.545 35.763 51.638 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.697 36.484 50.284 1.00 0.00 H new ATOM 0 HG LEU A 7 36.728 34.255 52.082 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.928 35.944 52.627 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.550 36.573 53.001 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.710 37.101 51.524 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.584 34.306 50.852 1.00 0.00 H new ATOM 0 HD22 LEU A 7 35.305 35.416 49.662 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.933 33.759 49.829 1.00 0.00 H new ATOM 128 N GLY A 8 39.872 36.485 48.913 1.00 0.00 N ATOM 129 CA GLY A 8 40.976 37.094 48.164 1.00 0.00 C ATOM 130 C GLY A 8 40.707 36.976 46.661 1.00 0.00 C ATOM 131 O GLY A 8 40.800 37.947 45.918 1.00 0.00 O ATOM 0 H GLY A 8 39.132 37.130 49.189 1.00 0.00 H new ATOM 0 HA2 GLY A 8 41.083 38.142 48.443 1.00 0.00 H new ATOM 0 HA3 GLY A 8 41.915 36.600 48.415 1.00 0.00 H new ATOM 135 N THR A 9 40.445 35.695 46.220 1.00 0.00 N ATOM 136 CA THR A 9 40.170 35.366 44.833 1.00 0.00 C ATOM 137 C THR A 9 39.528 33.951 44.835 1.00 0.00 C ATOM 138 O THR A 9 38.488 33.733 44.219 1.00 0.00 O ATOM 139 CB THR A 9 41.395 35.334 43.866 1.00 0.00 C ATOM 140 OG1 THR A 9 42.121 36.566 43.842 1.00 0.00 O ATOM 141 CG2 THR A 9 40.996 35.078 42.407 1.00 0.00 C ATOM 0 H THR A 9 40.426 34.887 46.842 1.00 0.00 H new ATOM 0 HA THR A 9 39.534 36.165 44.451 1.00 0.00 H new ATOM 0 HB THR A 9 42.005 34.522 44.262 1.00 0.00 H new ATOM 0 HG1 THR A 9 41.687 37.213 44.436 1.00 0.00 H new ATOM 0 HG21 THR A 9 41.889 35.067 41.782 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.488 34.116 42.332 1.00 0.00 H new ATOM 0 HG23 THR A 9 40.327 35.869 42.069 1.00 0.00 H new ATOM 149 N LYS A 10 40.198 32.974 45.557 1.00 0.00 N ATOM 150 CA LYS A 10 39.771 31.557 45.599 1.00 0.00 C ATOM 151 C LYS A 10 39.043 31.301 46.982 1.00 0.00 C ATOM 152 O LYS A 10 39.702 31.359 48.011 1.00 0.00 O ATOM 153 CB LYS A 10 40.954 30.553 45.420 1.00 0.00 C ATOM 154 CG LYS A 10 41.248 30.249 43.929 1.00 0.00 C ATOM 155 CD LYS A 10 42.443 29.311 43.632 1.00 0.00 C ATOM 156 CE LYS A 10 42.685 29.235 42.113 1.00 0.00 C ATOM 157 NZ LYS A 10 43.970 28.493 41.724 1.00 0.00 N ATOM 0 H LYS A 10 41.033 33.165 46.110 1.00 0.00 H new ATOM 0 HA LYS A 10 39.098 31.382 44.760 1.00 0.00 H new ATOM 0 HB2 LYS A 10 41.849 30.963 45.888 1.00 0.00 H new ATOM 0 HB3 LYS A 10 40.720 29.623 45.939 1.00 0.00 H new ATOM 0 HG2 LYS A 10 40.353 29.809 43.489 1.00 0.00 H new ATOM 0 HG3 LYS A 10 41.423 31.195 43.417 1.00 0.00 H new ATOM 0 HD2 LYS A 10 43.338 29.678 44.134 1.00 0.00 H new ATOM 0 HD3 LYS A 10 42.242 28.315 44.027 1.00 0.00 H new ATOM 0 HE2 LYS A 10 41.835 28.739 41.644 1.00 0.00 H new ATOM 0 HE3 LYS A 10 42.726 30.247 41.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 44.065 28.483 40.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 44.790 28.977 42.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 43.927 27.516 42.078 1.00 0.00 H new ATOM 171 N PRO A 11 37.689 30.908 47.017 1.00 0.00 N ATOM 172 CA PRO A 11 36.974 30.717 48.315 1.00 0.00 C ATOM 173 C PRO A 11 36.977 29.298 49.040 1.00 0.00 C ATOM 174 O PRO A 11 36.601 29.314 50.213 1.00 0.00 O ATOM 175 CB PRO A 11 35.521 31.210 48.069 1.00 0.00 C ATOM 176 CG PRO A 11 35.350 31.115 46.549 1.00 0.00 C ATOM 177 CD PRO A 11 36.747 31.493 46.058 1.00 0.00 C ATOM 0 HA PRO A 11 37.553 31.284 49.044 1.00 0.00 H new ATOM 0 HB2 PRO A 11 34.795 30.588 48.592 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.380 32.231 48.424 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.061 30.113 46.231 1.00 0.00 H new ATOM 0 HG3 PRO A 11 34.587 31.799 46.179 1.00 0.00 H new ATOM 0 HD2 PRO A 11 36.924 31.108 45.054 1.00 0.00 H new ATOM 0 HD3 PRO A 11 36.863 32.576 46.009 1.00 0.00 H new ATOM 185 N PRO A 12 37.509 28.130 48.488 1.00 0.00 N ATOM 186 CA PRO A 12 37.377 26.824 49.173 1.00 0.00 C ATOM 187 C PRO A 12 38.287 26.320 50.347 1.00 0.00 C ATOM 188 O PRO A 12 37.857 25.336 50.957 1.00 0.00 O ATOM 189 CB PRO A 12 37.688 25.824 48.039 1.00 0.00 C ATOM 190 CG PRO A 12 37.011 26.462 46.831 1.00 0.00 C ATOM 191 CD PRO A 12 37.372 27.931 47.042 1.00 0.00 C ATOM 0 HA PRO A 12 36.412 26.921 49.670 1.00 0.00 H new ATOM 0 HB2 PRO A 12 38.761 25.707 47.886 1.00 0.00 H new ATOM 0 HB3 PRO A 12 37.286 24.833 48.252 1.00 0.00 H new ATOM 0 HG2 PRO A 12 37.396 26.073 45.888 1.00 0.00 H new ATOM 0 HG3 PRO A 12 35.933 26.298 46.827 1.00 0.00 H new ATOM 0 HD2 PRO A 12 38.301 28.179 46.528 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.599 28.582 46.634 1.00 0.00 H new ATOM 199 N THR A 13 39.511 26.882 50.702 1.00 0.00 N ATOM 200 CA THR A 13 40.343 26.208 51.731 1.00 0.00 C ATOM 201 C THR A 13 40.151 26.685 53.206 1.00 0.00 C ATOM 202 O THR A 13 39.816 27.823 53.522 1.00 0.00 O ATOM 203 CB THR A 13 41.865 26.216 51.440 1.00 0.00 C ATOM 204 OG1 THR A 13 42.495 27.484 51.588 1.00 0.00 O ATOM 205 CG2 THR A 13 42.209 25.675 50.042 1.00 0.00 C ATOM 0 H THR A 13 39.902 27.739 50.310 1.00 0.00 H new ATOM 0 HA THR A 13 39.947 25.196 51.647 1.00 0.00 H new ATOM 0 HB THR A 13 42.259 25.551 52.209 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.113 28.116 50.944 1.00 0.00 H new ATOM 0 HG21 THR A 13 43.289 25.705 49.896 1.00 0.00 H new ATOM 0 HG22 THR A 13 41.859 24.646 49.954 1.00 0.00 H new ATOM 0 HG23 THR A 13 41.723 26.290 49.284 1.00 0.00 H new ATOM 213 N THR A 14 40.521 25.708 54.115 1.00 0.00 N ATOM 214 CA THR A 14 40.178 25.764 55.538 1.00 0.00 C ATOM 215 C THR A 14 41.358 25.292 56.452 1.00 0.00 C ATOM 216 O THR A 14 42.290 24.636 55.991 1.00 0.00 O ATOM 217 CB THR A 14 38.917 24.903 55.745 1.00 0.00 C ATOM 218 OG1 THR A 14 39.232 23.524 55.521 1.00 0.00 O ATOM 219 CG2 THR A 14 37.769 25.384 54.819 1.00 0.00 C ATOM 0 H THR A 14 41.059 24.881 53.856 1.00 0.00 H new ATOM 0 HA THR A 14 39.983 26.796 55.829 1.00 0.00 H new ATOM 0 HB THR A 14 38.571 25.012 56.773 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.429 22.979 55.655 1.00 0.00 H new ATOM 0 HG21 THR A 14 36.887 24.764 54.980 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.528 26.422 55.047 1.00 0.00 H new ATOM 0 HG23 THR A 14 38.083 25.305 53.778 1.00 0.00 H new ATOM 227 N GLU A 15 41.300 25.672 57.783 1.00 0.00 N ATOM 228 CA GLU A 15 42.405 25.392 58.722 1.00 0.00 C ATOM 229 C GLU A 15 41.811 24.663 59.978 1.00 0.00 C ATOM 230 O GLU A 15 41.067 25.214 60.788 1.00 0.00 O ATOM 231 CB GLU A 15 43.184 26.644 59.175 1.00 0.00 C ATOM 232 CG GLU A 15 43.882 27.417 58.038 1.00 0.00 C ATOM 233 CD GLU A 15 44.631 28.596 58.652 1.00 0.00 C ATOM 234 OE1 GLU A 15 44.119 29.641 58.988 1.00 0.00 O ATOM 235 OE2 GLU A 15 45.933 28.327 58.797 1.00 0.00 O ATOM 0 H GLU A 15 40.508 26.161 58.200 1.00 0.00 H new ATOM 0 HA GLU A 15 43.126 24.770 58.191 1.00 0.00 H new ATOM 0 HB2 GLU A 15 42.496 27.318 59.685 1.00 0.00 H new ATOM 0 HB3 GLU A 15 43.935 26.343 59.905 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.573 26.765 57.503 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.149 27.769 57.312 1.00 0.00 H new ATOM 243 N THR A 16 42.204 23.343 60.141 1.00 0.00 N ATOM 244 CA THR A 16 41.806 22.550 61.319 1.00 0.00 C ATOM 245 C THR A 16 42.672 23.112 62.508 1.00 0.00 C ATOM 246 O THR A 16 43.902 23.133 62.454 1.00 0.00 O ATOM 247 CB THR A 16 42.064 21.029 61.136 1.00 0.00 C ATOM 248 OG1 THR A 16 41.269 20.562 60.039 1.00 0.00 O ATOM 249 CG2 THR A 16 41.751 20.185 62.380 1.00 0.00 C ATOM 0 H THR A 16 42.784 22.837 59.472 1.00 0.00 H new ATOM 0 HA THR A 16 40.734 22.642 61.495 1.00 0.00 H new ATOM 0 HB THR A 16 43.131 20.910 60.949 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.422 19.603 59.909 1.00 0.00 H new ATOM 0 HG21 THR A 16 41.958 19.136 62.169 1.00 0.00 H new ATOM 0 HG22 THR A 16 42.373 20.517 63.211 1.00 0.00 H new ATOM 0 HG23 THR A 16 40.700 20.302 62.644 1.00 0.00 H new ATOM 257 N CYS A 17 41.997 23.569 63.634 1.00 0.00 N ATOM 258 CA CYS A 17 42.684 24.236 64.751 1.00 0.00 C ATOM 259 C CYS A 17 42.380 23.547 66.128 1.00 0.00 C ATOM 260 O CYS A 17 41.259 23.151 66.442 1.00 0.00 O ATOM 261 CB CYS A 17 42.256 25.697 64.893 1.00 0.00 C ATOM 262 SG CYS A 17 43.397 26.888 65.672 1.00 0.00 S ATOM 0 H CYS A 17 40.990 23.475 63.763 1.00 0.00 H new ATOM 0 HA CYS A 17 43.745 24.165 64.513 1.00 0.00 H new ATOM 0 HB2 CYS A 17 42.025 26.069 63.895 1.00 0.00 H new ATOM 0 HB3 CYS A 17 41.327 25.713 65.462 1.00 0.00 H new ATOM 267 N GLN A 18 43.457 23.526 66.992 1.00 0.00 N ATOM 268 CA GLN A 18 43.379 23.233 68.419 1.00 0.00 C ATOM 269 C GLN A 18 44.592 24.025 69.033 1.00 0.00 C ATOM 270 O GLN A 18 45.375 23.463 69.794 1.00 0.00 O ATOM 271 CB GLN A 18 43.346 21.749 68.869 1.00 0.00 C ATOM 272 CG GLN A 18 42.003 20.998 68.739 1.00 0.00 C ATOM 273 CD GLN A 18 40.879 21.657 69.543 1.00 0.00 C ATOM 274 OE1 GLN A 18 39.968 22.286 69.032 1.00 0.00 O ATOM 275 NE2 GLN A 18 40.950 21.470 70.880 1.00 0.00 N ATOM 0 H GLN A 18 44.408 23.720 66.680 1.00 0.00 H new ATOM 0 HA GLN A 18 42.399 23.541 68.782 1.00 0.00 H new ATOM 0 HB2 GLN A 18 44.094 21.205 68.292 1.00 0.00 H new ATOM 0 HB3 GLN A 18 43.656 21.706 69.913 1.00 0.00 H new ATOM 0 HG2 GLN A 18 41.716 20.954 67.688 1.00 0.00 H new ATOM 0 HG3 GLN A 18 42.132 19.970 69.077 1.00 0.00 H new ATOM 0 HE21 GLN A 18 41.724 20.939 71.280 1.00 0.00 H new ATOM 0 HE22 GLN A 18 40.230 21.859 71.488 1.00 0.00 H new ATOM 284 N GLU A 19 44.735 25.367 68.677 1.00 0.00 N ATOM 285 CA GLU A 19 45.800 26.217 69.267 1.00 0.00 C ATOM 286 C GLU A 19 45.277 27.093 70.449 1.00 0.00 C ATOM 287 O GLU A 19 45.977 27.954 70.976 1.00 0.00 O ATOM 288 CB GLU A 19 46.491 27.110 68.224 1.00 0.00 C ATOM 289 CG GLU A 19 47.200 26.380 67.071 1.00 0.00 C ATOM 290 CD GLU A 19 48.028 27.332 66.209 1.00 0.00 C ATOM 291 OE1 GLU A 19 49.198 27.190 65.921 1.00 0.00 O ATOM 292 OE2 GLU A 19 47.306 28.369 65.780 1.00 0.00 O ATOM 0 H GLU A 19 44.135 25.846 68.005 1.00 0.00 H new ATOM 0 HA GLU A 19 46.539 25.518 69.658 1.00 0.00 H new ATOM 0 HB2 GLU A 19 45.745 27.780 67.798 1.00 0.00 H new ATOM 0 HB3 GLU A 19 47.223 27.733 68.737 1.00 0.00 H new ATOM 0 HG2 GLU A 19 47.848 25.604 67.478 1.00 0.00 H new ATOM 0 HG3 GLU A 19 46.458 25.881 66.448 1.00 0.00 H new ATOM 300 N ASP A 20 44.008 26.811 70.873 1.00 0.00 N ATOM 301 CA ASP A 20 43.235 27.418 71.956 1.00 0.00 C ATOM 302 C ASP A 20 42.199 28.477 71.415 1.00 0.00 C ATOM 303 O ASP A 20 41.211 28.785 72.081 1.00 0.00 O ATOM 304 CB ASP A 20 42.643 26.305 72.831 1.00 0.00 C ATOM 305 CG ASP A 20 41.679 25.312 72.122 1.00 0.00 C ATOM 306 OD1 ASP A 20 42.072 24.828 71.055 1.00 0.00 O ATOM 307 OD2 ASP A 20 40.592 25.129 72.677 1.00 0.00 O ATOM 0 H ASP A 20 43.467 26.082 70.409 1.00 0.00 H new ATOM 0 HA ASP A 20 43.883 28.009 72.603 1.00 0.00 H new ATOM 0 HB2 ASP A 20 43.466 25.735 73.262 1.00 0.00 H new ATOM 0 HB3 ASP A 20 42.108 26.769 73.660 1.00 0.00 H new ATOM 312 N SER A 21 42.469 29.090 70.196 1.00 0.00 N ATOM 313 CA SER A 21 41.698 30.227 69.701 1.00 0.00 C ATOM 314 C SER A 21 41.839 30.420 68.155 1.00 0.00 C ATOM 315 O SER A 21 42.813 30.001 67.527 1.00 0.00 O ATOM 316 CB SER A 21 42.174 31.564 70.343 1.00 0.00 C ATOM 317 OG SER A 21 41.563 32.782 69.924 1.00 0.00 O ATOM 0 H SER A 21 43.216 28.791 69.569 1.00 0.00 H new ATOM 0 HA SER A 21 40.665 30.000 69.966 1.00 0.00 H new ATOM 0 HB2 SER A 21 42.037 31.480 71.421 1.00 0.00 H new ATOM 0 HB3 SER A 21 43.245 31.653 70.164 1.00 0.00 H new ATOM 0 HG SER A 21 40.603 32.637 69.789 1.00 0.00 H new ATOM 323 N CYS A 22 40.803 31.118 67.546 1.00 0.00 N ATOM 324 CA CYS A 22 40.955 31.591 66.181 1.00 0.00 C ATOM 325 C CYS A 22 40.363 33.017 65.990 1.00 0.00 C ATOM 326 O CYS A 22 39.547 33.496 66.776 1.00 0.00 O ATOM 327 CB CYS A 22 40.456 30.594 65.104 1.00 0.00 C ATOM 328 SG CYS A 22 38.677 30.614 64.738 1.00 0.00 S ATOM 0 H CYS A 22 39.910 31.338 67.986 1.00 0.00 H new ATOM 0 HA CYS A 22 42.031 31.661 66.018 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.996 30.794 64.179 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.727 29.587 65.420 1.00 0.00 H new ATOM 333 N TYR A 23 40.848 33.701 64.893 1.00 0.00 N ATOM 334 CA TYR A 23 40.616 35.138 64.721 1.00 0.00 C ATOM 335 C TYR A 23 39.975 35.531 63.364 1.00 0.00 C ATOM 336 O TYR A 23 40.134 34.870 62.338 1.00 0.00 O ATOM 337 CB TYR A 23 41.971 35.910 64.881 1.00 0.00 C ATOM 338 CG TYR A 23 42.988 35.614 63.795 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.959 36.310 62.590 1.00 0.00 C ATOM 340 CD2 TYR A 23 44.002 34.672 63.965 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.917 36.125 61.602 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.966 34.462 62.988 1.00 0.00 C ATOM 343 CZ TYR A 23 44.948 35.203 61.791 1.00 0.00 C ATOM 344 OH TYR A 23 45.926 34.981 60.869 1.00 0.00 O ATOM 0 H TYR A 23 41.388 33.268 64.144 1.00 0.00 H new ATOM 0 HA TYR A 23 39.898 35.414 65.493 1.00 0.00 H new ATOM 0 HB2 TYR A 23 41.767 36.981 64.890 1.00 0.00 H new ATOM 0 HB3 TYR A 23 42.406 35.660 65.849 1.00 0.00 H new ATOM 0 HD1 TYR A 23 42.163 37.019 62.417 1.00 0.00 H new ATOM 0 HD2 TYR A 23 44.038 34.093 64.876 1.00 0.00 H new ATOM 0 HE1 TYR A 23 43.864 36.695 60.686 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.737 33.723 63.148 1.00 0.00 H new ATOM 0 HH TYR A 23 46.544 34.298 61.205 1.00 0.00 H new ATOM 354 N LYS A 24 39.272 36.724 63.404 1.00 0.00 N ATOM 355 CA LYS A 24 38.558 37.284 62.247 1.00 0.00 C ATOM 356 C LYS A 24 39.356 38.571 61.832 1.00 0.00 C ATOM 357 O LYS A 24 39.419 39.581 62.532 1.00 0.00 O ATOM 358 CB LYS A 24 37.098 37.583 62.630 1.00 0.00 C ATOM 359 CG LYS A 24 36.321 36.355 63.153 1.00 0.00 C ATOM 360 CD LYS A 24 35.972 35.301 62.085 1.00 0.00 C ATOM 361 CE LYS A 24 35.787 33.901 62.697 1.00 0.00 C ATOM 362 NZ LYS A 24 34.565 33.196 62.125 1.00 0.00 N ATOM 0 H LYS A 24 39.201 37.299 64.244 1.00 0.00 H new ATOM 0 HA LYS A 24 38.509 36.593 61.405 1.00 0.00 H new ATOM 0 HB2 LYS A 24 37.086 38.360 63.394 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.580 37.984 61.759 1.00 0.00 H new ATOM 0 HG2 LYS A 24 36.911 35.877 63.935 1.00 0.00 H new ATOM 0 HG3 LYS A 24 35.397 36.700 63.617 1.00 0.00 H new ATOM 0 HD2 LYS A 24 35.058 35.595 61.570 1.00 0.00 H new ATOM 0 HD3 LYS A 24 36.763 35.268 61.336 1.00 0.00 H new ATOM 0 HE2 LYS A 24 36.676 33.300 62.507 1.00 0.00 H new ATOM 0 HE3 LYS A 24 35.685 33.987 63.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 34.209 32.503 62.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.823 33.896 61.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.827 32.706 61.246 1.00 0.00 H new ATOM 376 N ASN A 25 39.978 38.499 60.602 1.00 0.00 N ATOM 377 CA ASN A 25 40.805 39.552 59.984 1.00 0.00 C ATOM 378 C ASN A 25 39.990 39.927 58.687 1.00 0.00 C ATOM 379 O ASN A 25 39.832 39.150 57.745 1.00 0.00 O ATOM 380 CB ASN A 25 42.224 39.086 59.716 1.00 0.00 C ATOM 381 CG ASN A 25 43.071 40.219 59.193 1.00 0.00 C ATOM 382 OD1 ASN A 25 43.842 40.857 59.884 1.00 0.00 O ATOM 383 ND2 ASN A 25 42.878 40.491 57.890 1.00 0.00 N ATOM 0 H ASN A 25 39.902 37.671 60.012 1.00 0.00 H new ATOM 0 HA ASN A 25 40.963 40.419 60.626 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.662 38.693 60.634 1.00 0.00 H new ATOM 0 HB3 ASN A 25 42.213 38.270 58.993 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.388 41.256 57.448 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.222 39.932 57.344 1.00 0.00 H new ATOM 390 N ILE A 26 39.469 41.218 58.695 1.00 0.00 N ATOM 391 CA ILE A 26 38.238 41.586 57.941 1.00 0.00 C ATOM 392 C ILE A 26 38.386 42.785 56.931 1.00 0.00 C ATOM 393 O ILE A 26 37.527 43.028 56.087 1.00 0.00 O ATOM 394 CB ILE A 26 37.133 41.894 58.994 1.00 0.00 C ATOM 395 CG1 ILE A 26 37.093 43.330 59.591 1.00 0.00 C ATOM 396 CG2 ILE A 26 37.123 40.868 60.157 1.00 0.00 C ATOM 397 CD1 ILE A 26 38.261 43.800 60.475 1.00 0.00 C ATOM 0 H ILE A 26 39.888 41.992 59.211 1.00 0.00 H new ATOM 0 HA ILE A 26 37.988 40.741 57.299 1.00 0.00 H new ATOM 0 HB ILE A 26 36.232 41.809 58.386 1.00 0.00 H new ATOM 0 HG12 ILE A 26 37.006 44.030 58.760 1.00 0.00 H new ATOM 0 HG13 ILE A 26 36.179 43.417 60.178 1.00 0.00 H new ATOM 0 HG21 ILE A 26 36.335 41.127 60.864 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.940 39.870 59.760 1.00 0.00 H new ATOM 0 HG23 ILE A 26 38.087 40.885 60.666 1.00 0.00 H new ATOM 0 HD11 ILE A 26 38.077 44.821 60.809 1.00 0.00 H new ATOM 0 HD12 ILE A 26 38.348 43.145 61.342 1.00 0.00 H new ATOM 0 HD13 ILE A 26 39.187 43.767 59.902 1.00 0.00 H new ATOM 409 N TRP A 27 39.518 43.544 57.089 1.00 0.00 N ATOM 410 CA TRP A 27 40.075 44.710 56.403 1.00 0.00 C ATOM 411 C TRP A 27 40.978 44.187 55.218 1.00 0.00 C ATOM 412 O TRP A 27 40.459 43.805 54.177 1.00 0.00 O ATOM 413 CB TRP A 27 40.863 45.626 57.414 1.00 0.00 C ATOM 414 CG TRP A 27 41.523 44.894 58.556 1.00 0.00 C ATOM 415 CD1 TRP A 27 41.819 43.511 58.612 1.00 0.00 C ATOM 416 CD2 TRP A 27 41.809 45.340 59.843 1.00 0.00 C ATOM 417 NE1 TRP A 27 42.113 43.078 59.868 1.00 0.00 N ATOM 418 CE2 TRP A 27 42.149 44.235 60.627 1.00 0.00 C ATOM 419 CE3 TRP A 27 41.754 46.611 60.461 1.00 0.00 C ATOM 420 CZ2 TRP A 27 42.421 44.284 61.954 1.00 0.00 C ATOM 421 CZ3 TRP A 27 42.054 46.706 61.811 1.00 0.00 C ATOM 422 CH2 TRP A 27 42.382 45.552 62.555 1.00 0.00 C ATOM 0 H TRP A 27 40.155 43.282 57.842 1.00 0.00 H new ATOM 0 HA TRP A 27 39.284 45.336 55.991 1.00 0.00 H new ATOM 0 HB2 TRP A 27 41.627 46.175 56.864 1.00 0.00 H new ATOM 0 HB3 TRP A 27 40.174 46.364 57.825 1.00 0.00 H new ATOM 0 HD1 TRP A 27 41.812 42.865 57.746 1.00 0.00 H new ATOM 0 HE1 TRP A 27 42.271 42.120 60.179 1.00 0.00 H new ATOM 0 HE3 TRP A 27 41.484 47.489 59.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 42.655 43.394 62.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 42.037 47.670 62.297 1.00 0.00 H new ATOM 0 HH2 TRP A 27 42.607 45.647 63.607 1.00 0.00 H new ATOM 433 N THR A 28 42.363 44.184 55.365 1.00 0.00 N ATOM 434 CA THR A 28 43.283 43.826 54.269 1.00 0.00 C ATOM 435 C THR A 28 43.327 44.966 53.172 1.00 0.00 C ATOM 436 O THR A 28 42.525 45.897 53.184 1.00 0.00 O ATOM 437 CB THR A 28 43.062 42.432 53.593 1.00 0.00 C ATOM 438 OG1 THR A 28 44.180 42.018 52.806 1.00 0.00 O ATOM 439 CG2 THR A 28 42.644 41.266 54.508 1.00 0.00 C ATOM 0 H THR A 28 42.835 44.428 56.236 1.00 0.00 H new ATOM 0 HA THR A 28 44.247 43.732 54.769 1.00 0.00 H new ATOM 0 HB THR A 28 42.197 42.639 52.963 1.00 0.00 H new ATOM 0 HG1 THR A 28 44.043 42.290 51.875 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.525 40.361 53.913 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.412 41.104 55.265 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.699 41.507 54.995 1.00 0.00 H new ATOM 447 N PHE A 29 44.325 44.875 52.207 1.00 0.00 N ATOM 448 CA PHE A 29 44.387 45.834 51.097 1.00 0.00 C ATOM 449 C PHE A 29 43.099 45.711 50.223 1.00 0.00 C ATOM 450 O PHE A 29 42.496 46.705 49.825 1.00 0.00 O ATOM 451 CB PHE A 29 45.580 45.602 50.148 1.00 0.00 C ATOM 452 CG PHE A 29 46.931 45.854 50.785 1.00 0.00 C ATOM 453 CD1 PHE A 29 47.414 47.156 50.948 1.00 0.00 C ATOM 454 CD2 PHE A 29 47.758 44.793 51.167 1.00 0.00 C ATOM 455 CE1 PHE A 29 48.686 47.399 51.468 1.00 0.00 C ATOM 456 CE2 PHE A 29 49.032 45.018 51.690 1.00 0.00 C ATOM 457 CZ PHE A 29 49.506 46.327 51.838 1.00 0.00 C ATOM 0 H PHE A 29 45.057 44.164 52.200 1.00 0.00 H new ATOM 0 HA PHE A 29 44.491 46.814 51.563 1.00 0.00 H new ATOM 0 HB2 PHE A 29 45.547 44.575 49.784 1.00 0.00 H new ATOM 0 HB3 PHE A 29 45.472 46.252 49.280 1.00 0.00 H new ATOM 0 HD1 PHE A 29 46.790 47.991 50.666 1.00 0.00 H new ATOM 0 HD2 PHE A 29 47.404 43.779 51.055 1.00 0.00 H new ATOM 0 HE1 PHE A 29 49.037 48.414 51.585 1.00 0.00 H new ATOM 0 HE2 PHE A 29 49.652 44.183 51.980 1.00 0.00 H new ATOM 0 HZ PHE A 29 50.495 46.508 52.234 1.00 0.00 H new ATOM 467 N ASP A 30 42.743 44.422 49.894 1.00 0.00 N ATOM 468 CA ASP A 30 41.669 43.959 49.040 1.00 0.00 C ATOM 469 C ASP A 30 40.238 44.076 49.691 1.00 0.00 C ATOM 470 O ASP A 30 39.276 43.801 48.971 1.00 0.00 O ATOM 471 CB ASP A 30 42.022 42.544 48.515 1.00 0.00 C ATOM 472 CG ASP A 30 42.623 41.456 49.464 1.00 0.00 C ATOM 473 OD1 ASP A 30 43.419 41.845 50.324 1.00 0.00 O ATOM 474 OD2 ASP A 30 42.299 40.290 49.217 1.00 0.00 O ATOM 0 H ASP A 30 43.270 43.635 50.272 1.00 0.00 H new ATOM 0 HA ASP A 30 41.589 44.628 48.184 1.00 0.00 H new ATOM 0 HB2 ASP A 30 41.110 42.126 48.088 1.00 0.00 H new ATOM 0 HB3 ASP A 30 42.727 42.675 47.694 1.00 0.00 H new ATOM 479 N ASN A 31 40.032 44.525 50.995 1.00 0.00 N ATOM 480 CA ASN A 31 38.713 44.726 51.621 1.00 0.00 C ATOM 481 C ASN A 31 38.031 43.328 51.666 1.00 0.00 C ATOM 482 O ASN A 31 37.082 43.062 50.927 1.00 0.00 O ATOM 483 CB ASN A 31 37.849 45.828 50.999 1.00 0.00 C ATOM 484 CG ASN A 31 38.565 47.164 51.137 1.00 0.00 C ATOM 485 OD1 ASN A 31 38.756 47.707 52.211 1.00 0.00 O ATOM 486 ND2 ASN A 31 38.978 47.703 49.971 1.00 0.00 N ATOM 0 H ASN A 31 40.805 44.751 51.621 1.00 0.00 H new ATOM 0 HA ASN A 31 38.848 45.122 52.628 1.00 0.00 H new ATOM 0 HB2 ASN A 31 37.661 45.609 49.948 1.00 0.00 H new ATOM 0 HB3 ASN A 31 36.879 45.869 51.494 1.00 0.00 H new ATOM 0 HD21 ASN A 31 39.470 48.597 49.968 1.00 0.00 H new ATOM 0 HD22 ASN A 31 38.799 47.217 49.093 1.00 0.00 H new ATOM 493 N ILE A 32 38.506 42.436 52.619 1.00 0.00 N ATOM 494 CA ILE A 32 38.037 41.062 52.570 1.00 0.00 C ATOM 495 C ILE A 32 38.249 40.283 53.906 1.00 0.00 C ATOM 496 O ILE A 32 39.080 40.639 54.740 1.00 0.00 O ATOM 497 CB ILE A 32 38.755 40.284 51.430 1.00 0.00 C ATOM 498 CG1 ILE A 32 38.001 39.072 50.853 1.00 0.00 C ATOM 499 CG2 ILE A 32 40.179 39.862 51.857 1.00 0.00 C ATOM 500 CD1 ILE A 32 36.561 39.349 50.392 1.00 0.00 C ATOM 0 H ILE A 32 39.166 42.657 53.365 1.00 0.00 H new ATOM 0 HA ILE A 32 36.964 41.124 52.387 1.00 0.00 H new ATOM 0 HB ILE A 32 38.793 41.005 50.614 1.00 0.00 H new ATOM 0 HG12 ILE A 32 38.567 38.683 50.006 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.978 38.287 51.609 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.658 39.320 51.041 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.765 40.749 52.096 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.120 39.219 52.735 1.00 0.00 H new ATOM 0 HD11 ILE A 32 36.121 38.431 50.003 1.00 0.00 H new ATOM 0 HD12 ILE A 32 35.971 39.705 51.236 1.00 0.00 H new ATOM 0 HD13 ILE A 32 36.569 40.108 49.609 1.00 0.00 H new ATOM 512 N ILE A 33 37.476 39.140 54.061 1.00 0.00 N ATOM 513 CA ILE A 33 37.545 38.324 55.293 1.00 0.00 C ATOM 514 C ILE A 33 38.438 37.081 54.963 1.00 0.00 C ATOM 515 O ILE A 33 37.986 35.992 54.611 1.00 0.00 O ATOM 516 CB ILE A 33 36.197 37.977 55.935 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.322 39.219 56.246 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.424 37.146 57.215 1.00 0.00 C ATOM 519 CD1 ILE A 33 33.830 38.901 56.439 1.00 0.00 C ATOM 0 H ILE A 33 36.825 38.791 53.358 1.00 0.00 H new ATOM 0 HA ILE A 33 37.997 38.919 56.087 1.00 0.00 H new ATOM 0 HB ILE A 33 35.643 37.391 55.202 1.00 0.00 H new ATOM 0 HG12 ILE A 33 35.700 39.700 57.148 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.428 39.938 55.433 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.462 36.903 57.666 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.950 36.225 56.962 1.00 0.00 H new ATOM 0 HG23 ILE A 33 37.021 37.722 57.922 1.00 0.00 H new ATOM 0 HD11 ILE A 33 33.287 39.821 56.653 1.00 0.00 H new ATOM 0 HD12 ILE A 33 33.434 38.448 55.530 1.00 0.00 H new ATOM 0 HD13 ILE A 33 33.711 38.207 57.271 1.00 0.00 H new ATOM 531 N ARG A 34 39.793 37.309 55.102 1.00 0.00 N ATOM 532 CA ARG A 34 40.842 36.307 54.834 1.00 0.00 C ATOM 533 C ARG A 34 41.597 36.258 56.197 1.00 0.00 C ATOM 534 O ARG A 34 42.224 37.215 56.648 1.00 0.00 O ATOM 535 CB ARG A 34 41.707 36.680 53.617 1.00 0.00 C ATOM 536 CG ARG A 34 42.748 35.636 53.160 1.00 0.00 C ATOM 537 CD ARG A 34 43.168 35.788 51.672 1.00 0.00 C ATOM 538 NE ARG A 34 44.091 36.859 51.237 1.00 0.00 N ATOM 539 CZ ARG A 34 44.312 37.999 51.864 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.798 38.010 53.078 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.055 39.126 51.261 1.00 0.00 N ATOM 0 H ARG A 34 40.168 38.207 55.407 1.00 0.00 H new ATOM 0 HA ARG A 34 40.472 35.324 54.541 1.00 0.00 H new ATOM 0 HB2 ARG A 34 41.043 36.888 52.778 1.00 0.00 H new ATOM 0 HB3 ARG A 34 42.233 37.607 53.845 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.634 35.719 53.789 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.340 34.637 53.314 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.616 34.841 51.371 1.00 0.00 H new ATOM 0 HD3 ARG A 34 42.251 35.905 51.094 1.00 0.00 H new ATOM 0 HE ARG A 34 44.605 36.701 50.370 1.00 0.00 H new ATOM 0 HH11 ARG A 34 45.010 37.131 53.550 1.00 0.00 H new ATOM 0 HH12 ARG A 34 44.965 38.897 53.553 1.00 0.00 H new ATOM 0 HH21 ARG A 34 43.685 39.123 50.310 1.00 0.00 H new ATOM 0 HH22 ARG A 34 44.224 40.011 51.740 1.00 0.00 H new ATOM 555 N ARG A 35 41.455 35.071 56.907 1.00 0.00 N ATOM 556 CA ARG A 35 41.727 35.015 58.336 1.00 0.00 C ATOM 557 C ARG A 35 42.047 33.580 58.829 1.00 0.00 C ATOM 558 O ARG A 35 42.288 32.699 58.007 1.00 0.00 O ATOM 559 CB ARG A 35 40.543 35.695 59.064 1.00 0.00 C ATOM 560 CG ARG A 35 39.100 35.207 58.788 1.00 0.00 C ATOM 561 CD ARG A 35 38.672 33.816 59.284 1.00 0.00 C ATOM 562 NE ARG A 35 37.323 33.363 58.812 1.00 0.00 N ATOM 563 CZ ARG A 35 36.865 33.464 57.573 1.00 0.00 C ATOM 564 NH1 ARG A 35 37.676 33.420 56.551 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.584 33.632 57.383 1.00 0.00 N ATOM 0 H ARG A 35 41.161 34.186 56.494 1.00 0.00 H new ATOM 0 HA ARG A 35 42.639 35.562 58.572 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.721 35.602 60.135 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.580 36.758 58.826 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.418 35.936 59.225 1.00 0.00 H new ATOM 0 HG3 ARG A 35 38.945 35.233 57.709 1.00 0.00 H new ATOM 0 HD2 ARG A 35 39.416 33.087 58.963 1.00 0.00 H new ATOM 0 HD3 ARG A 35 38.677 33.818 60.374 1.00 0.00 H new ATOM 0 HE ARG A 35 36.705 32.941 59.505 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.679 33.306 56.700 1.00 0.00 H new ATOM 0 HH12 ARG A 35 37.307 33.499 55.603 1.00 0.00 H new ATOM 0 HH21 ARG A 35 34.952 33.684 58.182 1.00 0.00 H new ATOM 0 HH22 ARG A 35 35.215 33.712 56.435 1.00 0.00 H new ATOM 579 N GLY A 36 42.128 33.363 60.203 1.00 0.00 N ATOM 580 CA GLY A 36 42.607 32.021 60.535 1.00 0.00 C ATOM 581 C GLY A 36 42.851 31.629 62.001 1.00 0.00 C ATOM 582 O GLY A 36 42.453 32.302 62.940 1.00 0.00 O ATOM 0 H GLY A 36 41.902 34.004 60.963 1.00 0.00 H new ATOM 0 HA2 GLY A 36 41.889 31.311 60.126 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.544 31.871 60.000 1.00 0.00 H new ATOM 586 N CYS A 37 43.517 30.424 62.126 1.00 0.00 N ATOM 587 CA CYS A 37 43.863 29.753 63.388 1.00 0.00 C ATOM 588 C CYS A 37 45.085 30.513 64.034 1.00 0.00 C ATOM 589 O CYS A 37 46.186 30.546 63.485 1.00 0.00 O ATOM 590 CB CYS A 37 44.187 28.294 63.040 1.00 0.00 C ATOM 591 SG CYS A 37 44.879 27.201 64.324 1.00 0.00 S ATOM 0 H CYS A 37 43.827 29.896 61.310 1.00 0.00 H new ATOM 0 HA CYS A 37 43.053 29.767 64.117 1.00 0.00 H new ATOM 0 HB2 CYS A 37 43.269 27.832 62.678 1.00 0.00 H new ATOM 0 HB3 CYS A 37 44.889 28.305 62.206 1.00 0.00 H new ATOM 596 N GLY A 38 44.863 31.219 65.226 1.00 0.00 N ATOM 597 CA GLY A 38 45.999 31.939 65.812 1.00 0.00 C ATOM 598 C GLY A 38 45.618 32.423 67.250 1.00 0.00 C ATOM 599 O GLY A 38 45.394 31.643 68.170 1.00 0.00 O ATOM 0 H GLY A 38 43.979 31.281 65.731 1.00 0.00 H new ATOM 0 HA2 GLY A 38 46.873 31.289 65.854 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.265 32.792 65.187 1.00 0.00 H new ATOM 603 N CYS A 39 45.548 33.797 67.408 1.00 0.00 N ATOM 604 CA CYS A 39 45.092 34.479 68.626 1.00 0.00 C ATOM 605 C CYS A 39 46.198 35.072 69.558 1.00 0.00 C ATOM 606 O CYS A 39 47.360 35.206 69.190 1.00 0.00 O ATOM 607 CB CYS A 39 44.083 35.564 68.197 1.00 0.00 C ATOM 608 SG CYS A 39 43.467 36.655 69.514 1.00 0.00 S ATOM 0 H CYS A 39 45.816 34.445 66.667 1.00 0.00 H new ATOM 0 HA CYS A 39 44.642 33.714 69.259 1.00 0.00 H new ATOM 0 HB2 CYS A 39 44.550 36.182 67.431 1.00 0.00 H new ATOM 0 HB3 CYS A 39 43.228 35.072 67.732 1.00 0.00 H new ATOM 613 N PHE A 40 45.734 35.433 70.814 1.00 0.00 N ATOM 614 CA PHE A 40 46.585 35.764 71.951 1.00 0.00 C ATOM 615 C PHE A 40 47.367 37.091 71.644 1.00 0.00 C ATOM 616 O PHE A 40 48.590 37.140 71.742 1.00 0.00 O ATOM 617 CB PHE A 40 47.435 34.556 72.426 1.00 0.00 C ATOM 618 CG PHE A 40 46.651 33.249 72.304 1.00 0.00 C ATOM 619 CD1 PHE A 40 45.440 33.025 72.978 1.00 0.00 C ATOM 620 CD2 PHE A 40 47.066 32.279 71.382 1.00 0.00 C ATOM 621 CE1 PHE A 40 44.673 31.887 72.732 1.00 0.00 C ATOM 622 CE2 PHE A 40 46.311 31.138 71.127 1.00 0.00 C ATOM 623 CZ PHE A 40 45.117 30.933 71.817 1.00 0.00 C ATOM 0 H PHE A 40 44.739 35.493 71.032 1.00 0.00 H new ATOM 0 HA PHE A 40 45.977 35.975 72.831 1.00 0.00 H new ATOM 0 HB2 PHE A 40 48.347 34.493 71.832 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.739 34.706 73.462 1.00 0.00 H new ATOM 0 HD1 PHE A 40 45.096 33.749 73.702 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.998 32.421 70.855 1.00 0.00 H new ATOM 0 HE1 PHE A 40 43.736 31.744 73.250 1.00 0.00 H new ATOM 0 HE2 PHE A 40 46.648 30.415 70.399 1.00 0.00 H new ATOM 0 HZ PHE A 40 44.538 30.038 71.643 1.00 0.00 H new ATOM 735 N GLY A 48 45.355 44.563 66.578 1.00 0.00 N ATOM 736 CA GLY A 48 45.159 43.232 65.962 1.00 0.00 C ATOM 737 C GLY A 48 43.672 42.849 65.708 1.00 0.00 C ATOM 738 O GLY A 48 42.758 43.508 66.193 1.00 0.00 O ATOM 0 HA2 GLY A 48 45.695 43.202 65.014 1.00 0.00 H new ATOM 0 HA3 GLY A 48 45.610 42.478 66.607 1.00 0.00 H new ATOM 742 N PRO A 49 43.474 41.667 64.998 1.00 0.00 N ATOM 743 CA PRO A 49 42.148 41.074 64.765 1.00 0.00 C ATOM 744 C PRO A 49 41.271 40.839 66.015 1.00 0.00 C ATOM 745 O PRO A 49 41.751 40.745 67.143 1.00 0.00 O ATOM 746 CB PRO A 49 42.501 39.681 64.224 1.00 0.00 C ATOM 747 CG PRO A 49 43.610 40.064 63.252 1.00 0.00 C ATOM 748 CD PRO A 49 44.438 41.052 64.080 1.00 0.00 C ATOM 0 HA PRO A 49 41.569 41.748 64.133 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.844 39.003 65.005 1.00 0.00 H new ATOM 0 HB3 PRO A 49 41.659 39.198 63.729 1.00 0.00 H new ATOM 0 HG2 PRO A 49 44.197 39.199 62.943 1.00 0.00 H new ATOM 0 HG3 PRO A 49 43.216 40.523 62.345 1.00 0.00 H new ATOM 0 HD2 PRO A 49 45.234 40.543 64.624 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.913 41.800 63.445 1.00 0.00 H new ATOM 756 N TYR A 50 39.922 40.677 65.741 1.00 0.00 N ATOM 757 CA TYR A 50 38.986 40.403 66.849 1.00 0.00 C ATOM 758 C TYR A 50 38.939 38.840 66.991 1.00 0.00 C ATOM 759 O TYR A 50 38.738 38.113 66.016 1.00 0.00 O ATOM 760 CB TYR A 50 37.549 41.052 66.791 1.00 0.00 C ATOM 761 CG TYR A 50 36.508 40.317 65.974 1.00 0.00 C ATOM 762 CD1 TYR A 50 35.826 39.227 66.517 1.00 0.00 C ATOM 763 CD2 TYR A 50 36.136 40.734 64.699 1.00 0.00 C ATOM 764 CE1 TYR A 50 34.818 38.577 65.827 1.00 0.00 C ATOM 765 CE2 TYR A 50 35.117 40.108 63.992 1.00 0.00 C ATOM 766 CZ TYR A 50 34.423 39.031 64.555 1.00 0.00 C ATOM 767 OH TYR A 50 33.393 38.398 63.921 1.00 0.00 O ATOM 0 H TYR A 50 39.501 40.731 64.814 1.00 0.00 H new ATOM 0 HA TYR A 50 39.375 40.908 67.733 1.00 0.00 H new ATOM 0 HB2 TYR A 50 37.177 41.148 67.811 1.00 0.00 H new ATOM 0 HB3 TYR A 50 37.646 42.061 66.391 1.00 0.00 H new ATOM 0 HD1 TYR A 50 36.093 38.881 67.505 1.00 0.00 H new ATOM 0 HD2 TYR A 50 36.654 41.567 64.247 1.00 0.00 H new ATOM 0 HE1 TYR A 50 34.333 37.718 66.266 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.859 40.455 63.002 1.00 0.00 H new ATOM 0 HH TYR A 50 33.233 38.823 63.052 1.00 0.00 H new ATOM 777 N CYS A 51 39.137 38.306 68.260 1.00 0.00 N ATOM 778 CA CYS A 51 39.322 36.853 68.433 1.00 0.00 C ATOM 779 C CYS A 51 38.233 36.159 69.306 1.00 0.00 C ATOM 780 O CYS A 51 37.602 36.738 70.187 1.00 0.00 O ATOM 781 CB CYS A 51 40.693 36.559 69.065 1.00 0.00 C ATOM 782 SG CYS A 51 42.041 37.518 68.313 1.00 0.00 S ATOM 0 H CYS A 51 39.167 38.852 69.121 1.00 0.00 H new ATOM 0 HA CYS A 51 39.243 36.442 67.427 1.00 0.00 H new ATOM 0 HB2 CYS A 51 40.650 36.778 70.132 1.00 0.00 H new ATOM 0 HB3 CYS A 51 40.912 35.496 68.967 1.00 0.00 H new ATOM 787 N CYS A 52 38.101 34.815 69.027 1.00 0.00 N ATOM 788 CA CYS A 52 37.129 33.929 69.655 1.00 0.00 C ATOM 789 C CYS A 52 37.765 32.554 70.027 1.00 0.00 C ATOM 790 O CYS A 52 38.867 32.231 69.587 1.00 0.00 O ATOM 791 CB CYS A 52 35.975 33.733 68.686 1.00 0.00 C ATOM 792 SG CYS A 52 34.451 33.141 69.465 1.00 0.00 S ATOM 0 H CYS A 52 38.690 34.339 68.344 1.00 0.00 H new ATOM 0 HA CYS A 52 36.777 34.379 70.583 1.00 0.00 H new ATOM 0 HB2 CYS A 52 35.771 34.679 68.184 1.00 0.00 H new ATOM 0 HB3 CYS A 52 36.277 33.023 67.916 1.00 0.00 H new ATOM 797 N GLU A 53 37.023 31.715 70.831 1.00 0.00 N ATOM 798 CA GLU A 53 37.557 30.404 71.243 1.00 0.00 C ATOM 799 C GLU A 53 36.483 29.294 71.031 1.00 0.00 C ATOM 800 O GLU A 53 36.402 28.326 71.784 1.00 0.00 O ATOM 801 CB GLU A 53 38.162 30.451 72.659 1.00 0.00 C ATOM 802 CG GLU A 53 37.211 30.939 73.783 1.00 0.00 C ATOM 803 CD GLU A 53 37.165 32.467 73.832 1.00 0.00 C ATOM 804 OE1 GLU A 53 38.085 33.186 74.175 1.00 0.00 O ATOM 805 OE2 GLU A 53 35.975 32.945 73.468 1.00 0.00 O ATOM 0 H GLU A 53 36.091 31.930 71.185 1.00 0.00 H new ATOM 0 HA GLU A 53 38.397 30.139 70.601 1.00 0.00 H new ATOM 0 HB2 GLU A 53 38.515 29.452 72.916 1.00 0.00 H new ATOM 0 HB3 GLU A 53 39.035 31.103 72.639 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.209 30.546 73.613 1.00 0.00 H new ATOM 0 HG3 GLU A 53 37.547 30.550 74.744 1.00 0.00 H new ATOM 813 N SER A 54 35.736 29.403 69.874 1.00 0.00 N ATOM 814 CA SER A 54 34.646 28.499 69.492 1.00 0.00 C ATOM 815 C SER A 54 34.734 28.152 67.969 1.00 0.00 C ATOM 816 O SER A 54 35.275 28.903 67.161 1.00 0.00 O ATOM 817 CB SER A 54 33.238 29.088 69.781 1.00 0.00 C ATOM 818 OG SER A 54 32.131 28.280 69.390 1.00 0.00 O ATOM 0 H SER A 54 35.898 30.141 69.189 1.00 0.00 H new ATOM 0 HA SER A 54 34.770 27.604 70.102 1.00 0.00 H new ATOM 0 HB2 SER A 54 33.160 29.283 70.851 1.00 0.00 H new ATOM 0 HB3 SER A 54 33.157 30.050 69.275 1.00 0.00 H new ATOM 0 HG SER A 54 31.295 28.739 69.617 1.00 0.00 H new ATOM 824 N ASP A 55 34.159 26.943 67.604 1.00 0.00 N ATOM 825 CA ASP A 55 34.090 26.485 66.206 1.00 0.00 C ATOM 826 C ASP A 55 33.335 27.607 65.392 1.00 0.00 C ATOM 827 O ASP A 55 32.247 28.046 65.767 1.00 0.00 O ATOM 828 CB ASP A 55 33.336 25.140 66.161 1.00 0.00 C ATOM 829 CG ASP A 55 33.355 24.401 64.808 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.332 24.587 64.074 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.374 23.683 64.591 1.00 0.00 O ATOM 0 H ASP A 55 33.747 26.292 68.273 1.00 0.00 H new ATOM 0 HA ASP A 55 35.077 26.324 65.772 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.762 24.482 66.918 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.298 25.318 66.441 1.00 0.00 H new ATOM 836 N LYS A 56 33.958 28.104 64.246 1.00 0.00 N ATOM 837 CA LYS A 56 33.405 29.147 63.385 1.00 0.00 C ATOM 838 C LYS A 56 33.523 30.505 64.155 1.00 0.00 C ATOM 839 O LYS A 56 34.473 31.257 63.941 1.00 0.00 O ATOM 840 CB LYS A 56 32.022 28.937 62.726 1.00 0.00 C ATOM 841 CG LYS A 56 32.037 27.783 61.700 1.00 0.00 C ATOM 842 CD LYS A 56 31.886 26.390 62.332 1.00 0.00 C ATOM 843 CE LYS A 56 32.073 25.198 61.383 1.00 0.00 C ATOM 844 NZ LYS A 56 32.582 24.008 62.219 1.00 0.00 N ATOM 0 H LYS A 56 34.864 27.763 63.926 1.00 0.00 H new ATOM 0 HA LYS A 56 34.013 29.122 62.481 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.282 28.726 63.498 1.00 0.00 H new ATOM 0 HB3 LYS A 56 31.713 29.858 62.231 1.00 0.00 H new ATOM 0 HG2 LYS A 56 31.230 27.936 60.983 1.00 0.00 H new ATOM 0 HG3 LYS A 56 32.972 27.819 61.140 1.00 0.00 H new ATOM 0 HD2 LYS A 56 32.609 26.300 63.143 1.00 0.00 H new ATOM 0 HD3 LYS A 56 30.894 26.321 62.779 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.132 24.947 60.894 1.00 0.00 H new ATOM 0 HE3 LYS A 56 32.785 25.444 60.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 32.494 23.132 61.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 33.580 24.161 62.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.016 23.927 63.088 1.00 0.00 H new ATOM 858 N CYS A 57 32.489 30.844 65.004 1.00 0.00 N ATOM 859 CA CYS A 57 32.430 32.062 65.799 1.00 0.00 C ATOM 860 C CYS A 57 32.258 33.234 64.778 1.00 0.00 C ATOM 861 O CYS A 57 33.127 34.084 64.603 1.00 0.00 O ATOM 862 CB CYS A 57 33.541 32.233 66.839 1.00 0.00 C ATOM 863 SG CYS A 57 33.197 33.653 67.917 1.00 0.00 S ATOM 0 H CYS A 57 31.673 30.246 65.135 1.00 0.00 H new ATOM 0 HA CYS A 57 31.576 32.030 66.476 1.00 0.00 H new ATOM 0 HB2 CYS A 57 33.627 31.327 67.439 1.00 0.00 H new ATOM 0 HB3 CYS A 57 34.498 32.375 66.337 1.00 0.00 H new ATOM 868 N ASN A 58 31.039 33.245 64.113 1.00 0.00 N ATOM 869 CA ASN A 58 30.575 34.303 63.206 1.00 0.00 C ATOM 870 C ASN A 58 31.438 34.151 61.898 1.00 0.00 C ATOM 871 O ASN A 58 32.377 34.903 61.649 1.00 0.00 O ATOM 872 CB ASN A 58 30.512 35.737 63.806 1.00 0.00 C ATOM 873 CG ASN A 58 30.099 35.781 65.285 1.00 0.00 C ATOM 874 OD1 ASN A 58 30.894 35.661 66.199 1.00 0.00 O ATOM 875 ND2 ASN A 58 28.785 36.004 65.521 1.00 0.00 N ATOM 0 H ASN A 58 30.361 32.490 64.215 1.00 0.00 H new ATOM 0 HA ASN A 58 29.516 34.168 62.984 1.00 0.00 H new ATOM 0 HB2 ASN A 58 31.489 36.207 63.699 1.00 0.00 H new ATOM 0 HB3 ASN A 58 29.807 36.332 63.225 1.00 0.00 H new ATOM 0 HD21 ASN A 58 28.444 36.075 66.480 1.00 0.00 H new ATOM 0 HD22 ASN A 58 28.136 36.102 64.740 1.00 0.00 H new ATOM 882 N LEU A 59 31.081 33.092 61.076 1.00 0.00 N ATOM 883 CA LEU A 59 31.683 32.662 59.787 1.00 0.00 C ATOM 884 C LEU A 59 33.211 32.330 60.063 1.00 0.00 C ATOM 885 O LEU A 59 33.425 31.346 60.780 1.00 0.00 O ATOM 886 CB LEU A 59 31.436 33.563 58.558 1.00 0.00 C ATOM 887 CG LEU A 59 31.498 32.802 57.206 1.00 0.00 C ATOM 888 CD1 LEU A 59 30.312 31.833 57.035 1.00 0.00 C ATOM 889 CD2 LEU A 59 31.519 33.750 55.995 1.00 0.00 C ATOM 890 OXT LEU A 59 34.070 33.095 59.603 1.00 0.00 O ATOM 0 H LEU A 59 30.304 32.483 61.335 1.00 0.00 H new ATOM 0 HA LEU A 59 31.149 31.770 59.458 1.00 0.00 H new ATOM 0 HB2 LEU A 59 30.458 34.035 58.655 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.177 34.363 58.549 1.00 0.00 H new ATOM 0 HG LEU A 59 32.432 32.241 57.238 1.00 0.00 H new ATOM 0 HD11 LEU A 59 30.395 31.322 56.076 1.00 0.00 H new ATOM 0 HD12 LEU A 59 30.324 31.098 57.840 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.377 32.393 57.068 1.00 0.00 H new ATOM 0 HD21 LEU A 59 31.563 33.165 55.076 1.00 0.00 H new ATOM 0 HD22 LEU A 59 30.616 34.360 55.995 1.00 0.00 H new ATOM 0 HD23 LEU A 59 32.394 34.398 56.055 1.00 0.00 H new