USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=14 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 5 ASN : amide:sc= 0.777 K(o=2,f=-0.58) USER MOD Set 1.2: A 6 HIS : no HE2:sc= -0.36 K(o=2,f=-4.2!) USER MOD Set 1.3: A 13 THR OG1 : rot 73:sc= 1.6 USER MOD Single : A 1 ARG N :NH3+ -150:sc= 0.941 (180deg=-2.34!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 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= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 35:sc= 0.698 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -139:sc= 2.28 (180deg=-0.0936!) USER MOD Single : A 25 ASN : amide:sc= -2.38! C(o=-2.4!,f=-3!) USER MOD Single : A 28 THR OG1 : rot -95:sc= 1.34 USER MOD Single : A 31 ASN : amide:sc= -0.0777 X(o=-0.078,f=-0.026) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.00211 USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= -0.56! (180deg=-0.955!) USER MOD Single : A 58 ASN : amide:sc=-0.00881 X(o=-0.0088,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 41.030 24.442 67.144 1.00 0.00 N ATOM 2 CA ARG A 1 39.531 24.334 66.780 1.00 0.00 C ATOM 3 C ARG A 1 39.385 24.454 65.226 1.00 0.00 C ATOM 4 O ARG A 1 40.379 24.710 64.555 1.00 0.00 O ATOM 5 CB ARG A 1 38.713 25.466 67.477 1.00 0.00 C ATOM 6 CG ARG A 1 37.594 25.046 68.455 1.00 0.00 C ATOM 7 CD ARG A 1 37.980 24.107 69.611 1.00 0.00 C ATOM 8 NE ARG A 1 38.928 24.607 70.632 1.00 0.00 N ATOM 9 CZ ARG A 1 38.811 25.794 71.200 1.00 0.00 C ATOM 10 NH1 ARG A 1 37.924 25.983 72.143 1.00 0.00 N ATOM 11 NH2 ARG A 1 39.520 26.798 70.761 1.00 0.00 N ATOM 0 H1 ARG A 1 41.219 23.891 68.006 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.605 24.069 66.362 1.00 0.00 H new ATOM 0 H3 ARG A 1 41.276 25.439 67.309 1.00 0.00 H new ATOM 0 HA ARG A 1 39.143 23.374 67.122 1.00 0.00 H new ATOM 0 HB2 ARG A 1 39.414 26.099 68.021 1.00 0.00 H new ATOM 0 HB3 ARG A 1 38.264 26.083 66.699 1.00 0.00 H new ATOM 0 HG2 ARG A 1 37.165 25.951 68.885 1.00 0.00 H new ATOM 0 HG3 ARG A 1 36.806 24.563 67.878 1.00 0.00 H new ATOM 0 HD2 ARG A 1 37.063 23.815 70.123 1.00 0.00 H new ATOM 0 HD3 ARG A 1 38.405 23.202 69.177 1.00 0.00 H new ATOM 0 HE ARG A 1 39.706 24.009 70.909 1.00 0.00 H new ATOM 0 HH11 ARG A 1 37.323 25.214 72.439 1.00 0.00 H new ATOM 0 HH12 ARG A 1 37.833 26.899 72.582 1.00 0.00 H new ATOM 0 HH21 ARG A 1 40.163 26.665 69.981 1.00 0.00 H new ATOM 0 HH22 ARG A 1 39.431 27.715 71.198 1.00 0.00 H new ATOM 27 N ILE A 2 38.126 24.256 64.659 1.00 0.00 N ATOM 28 CA ILE A 2 37.923 24.400 63.196 1.00 0.00 C ATOM 29 C ILE A 2 37.468 25.877 62.932 1.00 0.00 C ATOM 30 O ILE A 2 36.471 26.373 63.460 1.00 0.00 O ATOM 31 CB ILE A 2 36.900 23.476 62.473 1.00 0.00 C ATOM 32 CG1 ILE A 2 37.255 21.967 62.489 1.00 0.00 C ATOM 33 CG2 ILE A 2 36.711 23.902 60.987 1.00 0.00 C ATOM 34 CD1 ILE A 2 37.358 21.272 63.857 1.00 0.00 C ATOM 0 H ILE A 2 37.288 24.008 65.186 1.00 0.00 H new ATOM 0 HA ILE A 2 38.884 24.102 62.777 1.00 0.00 H new ATOM 0 HB ILE A 2 35.983 23.603 63.048 1.00 0.00 H new ATOM 0 HG12 ILE A 2 36.504 21.440 61.900 1.00 0.00 H new ATOM 0 HG13 ILE A 2 38.209 21.841 61.976 1.00 0.00 H new ATOM 0 HG21 ILE A 2 35.991 23.239 60.507 1.00 0.00 H new ATOM 0 HG22 ILE A 2 36.343 24.927 60.946 1.00 0.00 H new ATOM 0 HG23 ILE A 2 37.666 23.838 60.466 1.00 0.00 H new ATOM 0 HD11 ILE A 2 37.612 20.222 63.713 1.00 0.00 H new ATOM 0 HD12 ILE A 2 38.133 21.754 64.453 1.00 0.00 H new ATOM 0 HD13 ILE A 2 36.402 21.346 64.376 1.00 0.00 H new ATOM 46 N CYS A 3 38.240 26.595 62.034 1.00 0.00 N ATOM 47 CA CYS A 3 37.848 27.923 61.588 1.00 0.00 C ATOM 48 C CYS A 3 38.206 28.100 60.065 1.00 0.00 C ATOM 49 O CYS A 3 38.738 27.189 59.429 1.00 0.00 O ATOM 50 CB CYS A 3 38.435 29.052 62.465 1.00 0.00 C ATOM 51 SG CYS A 3 38.758 28.488 64.185 1.00 0.00 S ATOM 0 H CYS A 3 39.114 26.255 61.632 1.00 0.00 H new ATOM 0 HA CYS A 3 36.768 28.009 61.703 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.363 29.411 62.021 1.00 0.00 H new ATOM 0 HB3 CYS A 3 37.743 29.894 62.483 1.00 0.00 H new ATOM 56 N TYR A 4 37.873 29.309 59.485 1.00 0.00 N ATOM 57 CA TYR A 4 38.016 29.516 58.028 1.00 0.00 C ATOM 58 C TYR A 4 39.215 30.447 57.650 1.00 0.00 C ATOM 59 O TYR A 4 39.670 31.235 58.476 1.00 0.00 O ATOM 60 CB TYR A 4 36.718 30.173 57.521 1.00 0.00 C ATOM 61 CG TYR A 4 35.421 29.482 57.948 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.316 28.112 58.184 1.00 0.00 C ATOM 63 CD2 TYR A 4 34.263 30.238 58.131 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.127 27.520 58.574 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.058 29.672 58.524 1.00 0.00 C ATOM 66 CZ TYR A 4 32.966 28.296 58.745 1.00 0.00 C ATOM 67 OH TYR A 4 31.811 27.676 59.119 1.00 0.00 O ATOM 0 H TYR A 4 37.518 30.116 59.999 1.00 0.00 H new ATOM 0 HA TYR A 4 38.206 28.545 57.571 1.00 0.00 H new ATOM 0 HB2 TYR A 4 36.692 31.205 57.872 1.00 0.00 H new ATOM 0 HB3 TYR A 4 36.750 30.207 56.432 1.00 0.00 H new ATOM 0 HD1 TYR A 4 36.191 27.492 58.058 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.306 31.304 57.961 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.090 26.455 58.748 1.00 0.00 H new ATOM 0 HE2 TYR A 4 32.188 30.298 58.659 1.00 0.00 H new ATOM 0 HH TYR A 4 31.094 28.340 59.199 1.00 0.00 H new ATOM 77 N ASN A 5 39.691 30.380 56.344 1.00 0.00 N ATOM 78 CA ASN A 5 40.823 31.236 55.953 1.00 0.00 C ATOM 79 C ASN A 5 40.842 31.411 54.407 1.00 0.00 C ATOM 80 O ASN A 5 41.903 31.550 53.802 1.00 0.00 O ATOM 81 CB ASN A 5 42.184 30.716 56.489 1.00 0.00 C ATOM 82 CG ASN A 5 42.536 29.304 56.026 1.00 0.00 C ATOM 83 OD1 ASN A 5 41.836 28.612 55.311 1.00 0.00 O ATOM 84 ND2 ASN A 5 43.727 28.856 56.484 1.00 0.00 N ATOM 0 H ASN A 5 39.319 29.776 55.611 1.00 0.00 H new ATOM 0 HA ASN A 5 40.678 32.211 56.417 1.00 0.00 H new ATOM 0 HB2 ASN A 5 42.972 31.398 56.171 1.00 0.00 H new ATOM 0 HB3 ASN A 5 42.165 30.736 57.579 1.00 0.00 H new ATOM 0 HD21 ASN A 5 44.052 27.923 56.231 1.00 0.00 H new ATOM 0 HD22 ASN A 5 44.300 29.451 57.082 1.00 0.00 H new ATOM 91 N HIS A 6 39.609 31.491 53.783 1.00 0.00 N ATOM 92 CA HIS A 6 39.405 31.590 52.350 1.00 0.00 C ATOM 93 C HIS A 6 39.681 33.035 51.792 1.00 0.00 C ATOM 94 O HIS A 6 40.312 33.868 52.436 1.00 0.00 O ATOM 95 CB HIS A 6 39.979 30.377 51.519 1.00 0.00 C ATOM 96 CG HIS A 6 41.409 30.471 51.086 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.277 29.366 51.058 1.00 0.00 N ATOM 98 CD2 HIS A 6 42.190 31.490 50.628 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.501 29.689 50.653 1.00 0.00 C ATOM 100 NE2 HIS A 6 43.455 30.996 50.362 1.00 0.00 N ATOM 0 H HIS A 6 38.734 31.485 54.307 1.00 0.00 H new ATOM 0 HA HIS A 6 38.336 31.462 52.182 1.00 0.00 H new ATOM 0 HB2 HIS A 6 39.864 29.472 52.115 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.362 30.253 50.629 1.00 0.00 H new ATOM 0 HD1 HIS A 6 41.998 28.420 51.320 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.874 32.514 50.495 1.00 0.00 H new ATOM 0 HE1 HIS A 6 44.356 29.034 50.575 1.00 0.00 H new ATOM 109 N LEU A 7 39.108 33.331 50.568 1.00 0.00 N ATOM 110 CA LEU A 7 39.111 34.664 49.971 1.00 0.00 C ATOM 111 C LEU A 7 40.508 35.176 49.499 1.00 0.00 C ATOM 112 O LEU A 7 41.481 34.432 49.416 1.00 0.00 O ATOM 113 CB LEU A 7 38.232 35.639 50.785 1.00 0.00 C ATOM 114 CG LEU A 7 36.716 35.336 50.678 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.907 36.161 51.687 1.00 0.00 C ATOM 116 CD2 LEU A 7 36.181 35.633 49.268 1.00 0.00 C ATOM 0 H LEU A 7 38.639 32.631 49.993 1.00 0.00 H new ATOM 0 HA LEU A 7 38.616 34.593 49.003 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.530 35.597 51.833 1.00 0.00 H new ATOM 0 HB3 LEU A 7 38.417 36.657 50.441 1.00 0.00 H new ATOM 0 HG LEU A 7 36.598 34.275 50.896 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.848 35.924 51.585 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.236 35.923 52.699 1.00 0.00 H new ATOM 0 HD13 LEU A 7 36.061 37.223 51.496 1.00 0.00 H new ATOM 0 HD21 LEU A 7 35.115 35.409 49.229 1.00 0.00 H new ATOM 0 HD22 LEU A 7 36.340 36.685 49.033 1.00 0.00 H new ATOM 0 HD23 LEU A 7 36.708 35.015 48.541 1.00 0.00 H new ATOM 128 N GLY A 8 40.532 36.469 49.005 1.00 0.00 N ATOM 129 CA GLY A 8 41.717 36.937 48.285 1.00 0.00 C ATOM 130 C GLY A 8 41.583 36.405 46.824 1.00 0.00 C ATOM 131 O GLY A 8 40.889 36.970 45.983 1.00 0.00 O ATOM 0 H GLY A 8 39.777 37.148 49.099 1.00 0.00 H new ATOM 0 HA2 GLY A 8 41.775 38.025 48.298 1.00 0.00 H new ATOM 0 HA3 GLY A 8 42.628 36.564 48.752 1.00 0.00 H new ATOM 135 N THR A 9 42.275 35.239 46.554 1.00 0.00 N ATOM 136 CA THR A 9 42.321 34.582 45.230 1.00 0.00 C ATOM 137 C THR A 9 41.391 33.336 45.187 1.00 0.00 C ATOM 138 O THR A 9 40.730 33.108 44.176 1.00 0.00 O ATOM 139 CB THR A 9 43.760 34.104 44.867 1.00 0.00 C ATOM 140 OG1 THR A 9 44.690 35.181 44.730 1.00 0.00 O ATOM 141 CG2 THR A 9 43.883 33.207 43.625 1.00 0.00 C ATOM 0 H THR A 9 42.812 34.743 47.265 1.00 0.00 H new ATOM 0 HA THR A 9 41.989 35.332 44.512 1.00 0.00 H new ATOM 0 HB THR A 9 44.008 33.490 45.733 1.00 0.00 H new ATOM 0 HG1 THR A 9 45.574 34.823 44.504 1.00 0.00 H new ATOM 0 HG21 THR A 9 44.928 32.938 43.472 1.00 0.00 H new ATOM 0 HG22 THR A 9 43.293 32.302 43.770 1.00 0.00 H new ATOM 0 HG23 THR A 9 43.515 33.744 42.751 1.00 0.00 H new ATOM 149 N LYS A 10 41.402 32.489 46.283 1.00 0.00 N ATOM 150 CA LYS A 10 40.643 31.213 46.305 1.00 0.00 C ATOM 151 C LYS A 10 39.560 31.277 47.441 1.00 0.00 C ATOM 152 O LYS A 10 39.929 31.350 48.607 1.00 0.00 O ATOM 153 CB LYS A 10 41.487 29.932 46.540 1.00 0.00 C ATOM 154 CG LYS A 10 42.457 29.589 45.391 1.00 0.00 C ATOM 155 CD LYS A 10 43.107 28.190 45.498 1.00 0.00 C ATOM 156 CE LYS A 10 44.291 28.060 44.524 1.00 0.00 C ATOM 157 NZ LYS A 10 44.690 26.608 44.234 1.00 0.00 N ATOM 0 H LYS A 10 41.924 32.679 47.139 1.00 0.00 H new ATOM 0 HA LYS A 10 40.218 31.126 45.305 1.00 0.00 H new ATOM 0 HB2 LYS A 10 42.060 30.053 47.459 1.00 0.00 H new ATOM 0 HB3 LYS A 10 40.812 29.090 46.693 1.00 0.00 H new ATOM 0 HG2 LYS A 10 41.918 29.654 44.446 1.00 0.00 H new ATOM 0 HG3 LYS A 10 43.246 30.341 45.361 1.00 0.00 H new ATOM 0 HD2 LYS A 10 43.450 28.021 46.519 1.00 0.00 H new ATOM 0 HD3 LYS A 10 42.365 27.422 45.280 1.00 0.00 H new ATOM 0 HE2 LYS A 10 44.035 28.552 43.586 1.00 0.00 H new ATOM 0 HE3 LYS A 10 45.150 28.589 44.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 45.492 26.594 43.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 44.965 26.140 45.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 43.884 26.104 43.812 1.00 0.00 H new ATOM 171 N PRO A 11 38.203 31.121 47.132 1.00 0.00 N ATOM 172 CA PRO A 11 37.189 31.187 48.218 1.00 0.00 C ATOM 173 C PRO A 11 36.914 29.898 49.108 1.00 0.00 C ATOM 174 O PRO A 11 36.487 30.112 50.241 1.00 0.00 O ATOM 175 CB PRO A 11 35.897 31.694 47.546 1.00 0.00 C ATOM 176 CG PRO A 11 36.460 32.582 46.429 1.00 0.00 C ATOM 177 CD PRO A 11 37.628 31.736 45.925 1.00 0.00 C ATOM 0 HA PRO A 11 37.602 31.848 48.980 1.00 0.00 H new ATOM 0 HB2 PRO A 11 35.291 30.877 47.154 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.268 32.254 48.238 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.725 32.773 45.647 1.00 0.00 H new ATOM 0 HG3 PRO A 11 36.788 33.552 46.802 1.00 0.00 H new ATOM 0 HD2 PRO A 11 37.290 30.978 45.219 1.00 0.00 H new ATOM 0 HD3 PRO A 11 38.364 32.349 45.406 1.00 0.00 H new ATOM 185 N PRO A 12 37.258 28.605 48.697 1.00 0.00 N ATOM 186 CA PRO A 12 36.901 27.393 49.466 1.00 0.00 C ATOM 187 C PRO A 12 37.614 26.815 50.747 1.00 0.00 C ATOM 188 O PRO A 12 36.956 25.957 51.346 1.00 0.00 O ATOM 189 CB PRO A 12 37.164 26.276 48.430 1.00 0.00 C ATOM 190 CG PRO A 12 36.655 26.880 47.125 1.00 0.00 C ATOM 191 CD PRO A 12 37.155 28.317 47.261 1.00 0.00 C ATOM 0 HA PRO A 12 35.941 27.693 49.885 1.00 0.00 H new ATOM 0 HB2 PRO A 12 38.223 26.024 48.370 1.00 0.00 H new ATOM 0 HB3 PRO A 12 36.632 25.359 48.683 1.00 0.00 H new ATOM 0 HG2 PRO A 12 37.068 26.380 46.249 1.00 0.00 H new ATOM 0 HG3 PRO A 12 35.570 26.826 47.040 1.00 0.00 H new ATOM 0 HD2 PRO A 12 38.123 28.436 46.774 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.468 29.011 46.777 1.00 0.00 H new ATOM 199 N THR A 13 38.881 27.163 51.221 1.00 0.00 N ATOM 200 CA THR A 13 39.422 26.366 52.349 1.00 0.00 C ATOM 201 C THR A 13 38.910 26.807 53.772 1.00 0.00 C ATOM 202 O THR A 13 38.887 27.961 54.196 1.00 0.00 O ATOM 203 CB THR A 13 40.966 26.222 52.434 1.00 0.00 C ATOM 204 OG1 THR A 13 41.670 27.385 52.848 1.00 0.00 O ATOM 205 CG2 THR A 13 41.625 25.778 51.116 1.00 0.00 C ATOM 0 H THR A 13 39.473 27.914 50.867 1.00 0.00 H new ATOM 0 HA THR A 13 39.012 25.391 52.083 1.00 0.00 H new ATOM 0 HB THR A 13 41.053 25.452 53.201 1.00 0.00 H new ATOM 0 HG1 THR A 13 41.521 27.534 53.805 1.00 0.00 H new ATOM 0 HG21 THR A 13 42.703 25.700 51.256 1.00 0.00 H new ATOM 0 HG22 THR A 13 41.227 24.808 50.819 1.00 0.00 H new ATOM 0 HG23 THR A 13 41.412 26.511 50.338 1.00 0.00 H new ATOM 213 N THR A 14 38.592 25.717 54.550 1.00 0.00 N ATOM 214 CA THR A 14 38.113 25.676 55.923 1.00 0.00 C ATOM 215 C THR A 14 38.804 24.441 56.563 1.00 0.00 C ATOM 216 O THR A 14 38.924 23.386 55.931 1.00 0.00 O ATOM 217 CB THR A 14 36.609 25.473 56.042 1.00 0.00 C ATOM 218 OG1 THR A 14 36.127 24.233 55.512 1.00 0.00 O ATOM 219 CG2 THR A 14 35.849 26.591 55.307 1.00 0.00 C ATOM 0 H THR A 14 38.683 24.775 54.170 1.00 0.00 H new ATOM 0 HA THR A 14 38.339 26.628 56.403 1.00 0.00 H new ATOM 0 HB THR A 14 36.426 25.480 57.117 1.00 0.00 H new ATOM 0 HG1 THR A 14 35.155 24.183 55.630 1.00 0.00 H new ATOM 0 HG21 THR A 14 34.776 26.427 55.405 1.00 0.00 H new ATOM 0 HG22 THR A 14 36.109 27.555 55.743 1.00 0.00 H new ATOM 0 HG23 THR A 14 36.123 26.584 54.252 1.00 0.00 H new ATOM 227 N GLU A 15 39.230 24.564 57.877 1.00 0.00 N ATOM 228 CA GLU A 15 40.144 23.522 58.329 1.00 0.00 C ATOM 229 C GLU A 15 40.389 23.511 59.863 1.00 0.00 C ATOM 230 O GLU A 15 40.299 24.514 60.569 1.00 0.00 O ATOM 231 CB GLU A 15 41.519 23.703 57.628 1.00 0.00 C ATOM 232 CG GLU A 15 42.683 22.706 57.829 1.00 0.00 C ATOM 233 CD GLU A 15 42.339 21.308 57.329 1.00 0.00 C ATOM 234 OE1 GLU A 15 41.442 20.601 57.753 1.00 0.00 O ATOM 235 OE2 GLU A 15 43.176 20.914 56.371 1.00 0.00 O ATOM 0 H GLU A 15 38.976 25.292 58.545 1.00 0.00 H new ATOM 0 HA GLU A 15 39.667 22.577 58.069 1.00 0.00 H new ATOM 0 HB2 GLU A 15 41.322 23.743 56.557 1.00 0.00 H new ATOM 0 HB3 GLU A 15 41.893 24.684 57.920 1.00 0.00 H new ATOM 0 HG2 GLU A 15 43.566 23.071 57.304 1.00 0.00 H new ATOM 0 HG3 GLU A 15 42.939 22.658 58.887 1.00 0.00 H new ATOM 243 N THR A 16 40.738 22.265 60.359 1.00 0.00 N ATOM 244 CA THR A 16 41.095 22.069 61.764 1.00 0.00 C ATOM 245 C THR A 16 42.514 22.680 61.992 1.00 0.00 C ATOM 246 O THR A 16 43.476 22.435 61.263 1.00 0.00 O ATOM 247 CB THR A 16 41.075 20.585 62.224 1.00 0.00 C ATOM 248 OG1 THR A 16 41.146 20.576 63.652 1.00 0.00 O ATOM 249 CG2 THR A 16 42.182 19.713 61.603 1.00 0.00 C ATOM 0 H THR A 16 40.770 21.416 59.794 1.00 0.00 H new ATOM 0 HA THR A 16 40.337 22.569 62.367 1.00 0.00 H new ATOM 0 HB THR A 16 40.149 20.132 61.869 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.134 19.651 63.974 1.00 0.00 H new ATOM 0 HG21 THR A 16 42.095 18.693 61.978 1.00 0.00 H new ATOM 0 HG22 THR A 16 42.078 19.711 60.518 1.00 0.00 H new ATOM 0 HG23 THR A 16 43.158 20.117 61.873 1.00 0.00 H new ATOM 257 N CYS A 17 42.646 23.501 63.094 1.00 0.00 N ATOM 258 CA CYS A 17 43.916 24.136 63.432 1.00 0.00 C ATOM 259 C CYS A 17 44.290 23.846 64.913 1.00 0.00 C ATOM 260 O CYS A 17 43.461 23.697 65.814 1.00 0.00 O ATOM 261 CB CYS A 17 43.844 25.622 63.168 1.00 0.00 C ATOM 262 SG CYS A 17 45.435 26.486 63.162 1.00 0.00 S ATOM 0 H CYS A 17 41.884 23.718 63.736 1.00 0.00 H new ATOM 0 HA CYS A 17 44.699 23.717 62.800 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.360 25.780 62.204 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.205 26.078 63.924 1.00 0.00 H new ATOM 267 N GLN A 18 45.653 23.821 65.103 1.00 0.00 N ATOM 268 CA GLN A 18 46.305 23.453 66.355 1.00 0.00 C ATOM 269 C GLN A 18 46.541 24.688 67.277 1.00 0.00 C ATOM 270 O GLN A 18 46.749 24.497 68.476 1.00 0.00 O ATOM 271 CB GLN A 18 47.593 22.641 66.097 1.00 0.00 C ATOM 272 CG GLN A 18 48.210 21.972 67.349 1.00 0.00 C ATOM 273 CD GLN A 18 49.144 20.832 66.936 1.00 0.00 C ATOM 274 OE1 GLN A 18 50.225 21.013 66.406 1.00 0.00 O ATOM 275 NE2 GLN A 18 48.678 19.593 67.216 1.00 0.00 N ATOM 0 H GLN A 18 46.314 24.064 64.365 1.00 0.00 H new ATOM 0 HA GLN A 18 45.626 22.799 66.902 1.00 0.00 H new ATOM 0 HB2 GLN A 18 47.375 21.867 65.361 1.00 0.00 H new ATOM 0 HB3 GLN A 18 48.338 23.302 65.653 1.00 0.00 H new ATOM 0 HG2 GLN A 18 48.762 22.711 67.930 1.00 0.00 H new ATOM 0 HG3 GLN A 18 47.418 21.588 67.992 1.00 0.00 H new ATOM 0 HE21 GLN A 18 47.767 19.479 67.661 1.00 0.00 H new ATOM 0 HE22 GLN A 18 49.238 18.773 66.982 1.00 0.00 H new ATOM 284 N GLU A 19 46.515 25.979 66.752 1.00 0.00 N ATOM 285 CA GLU A 19 46.580 27.145 67.643 1.00 0.00 C ATOM 286 C GLU A 19 45.147 27.261 68.281 1.00 0.00 C ATOM 287 O GLU A 19 44.133 27.376 67.594 1.00 0.00 O ATOM 288 CB GLU A 19 46.961 28.461 66.935 1.00 0.00 C ATOM 289 CG GLU A 19 48.423 28.521 66.416 1.00 0.00 C ATOM 290 CD GLU A 19 49.366 29.055 67.491 1.00 0.00 C ATOM 291 OE1 GLU A 19 49.740 30.202 67.593 1.00 0.00 O ATOM 292 OE2 GLU A 19 49.745 28.094 68.336 1.00 0.00 O ATOM 0 H GLU A 19 46.452 26.199 65.758 1.00 0.00 H new ATOM 0 HA GLU A 19 47.370 26.996 68.379 1.00 0.00 H new ATOM 0 HB2 GLU A 19 46.285 28.613 66.094 1.00 0.00 H new ATOM 0 HB3 GLU A 19 46.801 29.289 67.626 1.00 0.00 H new ATOM 0 HG2 GLU A 19 48.744 27.526 66.108 1.00 0.00 H new ATOM 0 HG3 GLU A 19 48.473 29.159 65.534 1.00 0.00 H new ATOM 300 N ASP A 20 45.108 27.266 69.666 1.00 0.00 N ATOM 301 CA ASP A 20 43.929 27.201 70.531 1.00 0.00 C ATOM 302 C ASP A 20 42.949 28.441 70.480 1.00 0.00 C ATOM 303 O ASP A 20 42.034 28.509 71.309 1.00 0.00 O ATOM 304 CB ASP A 20 43.228 25.837 70.645 1.00 0.00 C ATOM 305 CG ASP A 20 42.214 25.412 69.562 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.607 26.302 68.962 1.00 0.00 O ATOM 307 OD2 ASP A 20 42.050 24.192 69.446 1.00 0.00 O ATOM 0 H ASP A 20 45.968 27.320 70.212 1.00 0.00 H new ATOM 0 HA ASP A 20 44.408 27.305 71.505 1.00 0.00 H new ATOM 0 HB2 ASP A 20 44.004 25.073 70.684 1.00 0.00 H new ATOM 0 HB3 ASP A 20 42.710 25.815 71.604 1.00 0.00 H new ATOM 312 N SER A 21 43.161 29.472 69.585 1.00 0.00 N ATOM 313 CA SER A 21 42.318 30.668 69.511 1.00 0.00 C ATOM 314 C SER A 21 42.147 31.033 68.012 1.00 0.00 C ATOM 315 O SER A 21 43.089 30.951 67.221 1.00 0.00 O ATOM 316 CB SER A 21 42.884 31.907 70.248 1.00 0.00 C ATOM 317 OG SER A 21 42.148 33.120 70.109 1.00 0.00 O ATOM 0 H SER A 21 43.925 29.471 68.909 1.00 0.00 H new ATOM 0 HA SER A 21 41.380 30.421 70.007 1.00 0.00 H new ATOM 0 HB2 SER A 21 42.954 31.670 71.310 1.00 0.00 H new ATOM 0 HB3 SER A 21 43.900 32.081 69.892 1.00 0.00 H new ATOM 0 HG SER A 21 41.190 32.918 70.060 1.00 0.00 H new ATOM 323 N CYS A 22 40.889 31.459 67.608 1.00 0.00 N ATOM 324 CA CYS A 22 40.686 31.818 66.213 1.00 0.00 C ATOM 325 C CYS A 22 39.773 33.080 66.098 1.00 0.00 C ATOM 326 O CYS A 22 38.801 33.294 66.817 1.00 0.00 O ATOM 327 CB CYS A 22 40.270 30.602 65.344 1.00 0.00 C ATOM 328 SG CYS A 22 38.509 30.182 65.330 1.00 0.00 S ATOM 0 H CYS A 22 40.072 31.547 68.212 1.00 0.00 H new ATOM 0 HA CYS A 22 41.640 32.116 65.778 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.583 30.793 64.318 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.826 29.730 65.689 1.00 0.00 H new ATOM 333 N TYR A 23 40.178 33.961 65.110 1.00 0.00 N ATOM 334 CA TYR A 23 39.799 35.381 65.107 1.00 0.00 C ATOM 335 C TYR A 23 39.154 35.898 63.789 1.00 0.00 C ATOM 336 O TYR A 23 39.418 35.378 62.708 1.00 0.00 O ATOM 337 CB TYR A 23 41.139 36.163 65.356 1.00 0.00 C ATOM 338 CG TYR A 23 42.201 35.871 64.303 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.143 36.462 63.044 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.260 34.995 64.541 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.088 36.217 62.058 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.227 34.748 63.576 1.00 0.00 C ATOM 343 CZ TYR A 23 44.151 35.352 62.308 1.00 0.00 C ATOM 344 OH TYR A 23 45.105 35.054 61.383 1.00 0.00 O ATOM 0 H TYR A 23 40.764 33.688 64.321 1.00 0.00 H new ATOM 0 HA TYR A 23 39.030 35.531 65.865 1.00 0.00 H new ATOM 0 HB2 TYR A 23 40.932 37.233 65.369 1.00 0.00 H new ATOM 0 HB3 TYR A 23 41.529 35.902 66.340 1.00 0.00 H new ATOM 0 HD1 TYR A 23 41.330 37.138 62.826 1.00 0.00 H new ATOM 0 HD2 TYR A 23 43.329 34.498 65.497 1.00 0.00 H new ATOM 0 HE1 TYR A 23 42.999 36.698 61.095 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.048 34.084 63.802 1.00 0.00 H new ATOM 0 HH TYR A 23 45.753 34.430 61.771 1.00 0.00 H new ATOM 354 N LYS A 24 38.330 37.008 63.926 1.00 0.00 N ATOM 355 CA LYS A 24 37.604 37.651 62.814 1.00 0.00 C ATOM 356 C LYS A 24 38.481 38.883 62.375 1.00 0.00 C ATOM 357 O LYS A 24 38.556 39.919 63.033 1.00 0.00 O ATOM 358 CB LYS A 24 36.212 38.142 63.254 1.00 0.00 C ATOM 359 CG LYS A 24 35.148 37.085 63.619 1.00 0.00 C ATOM 360 CD LYS A 24 35.266 36.459 65.023 1.00 0.00 C ATOM 361 CE LYS A 24 33.985 35.727 65.427 1.00 0.00 C ATOM 362 NZ LYS A 24 33.783 34.448 64.602 1.00 0.00 N ATOM 0 H LYS A 24 38.168 37.463 64.825 1.00 0.00 H new ATOM 0 HA LYS A 24 37.449 36.941 62.002 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.346 38.792 64.119 1.00 0.00 H new ATOM 0 HB3 LYS A 24 35.807 38.759 62.451 1.00 0.00 H new ATOM 0 HG2 LYS A 24 34.164 37.545 63.530 1.00 0.00 H new ATOM 0 HG3 LYS A 24 35.194 36.284 62.881 1.00 0.00 H new ATOM 0 HD2 LYS A 24 36.104 35.762 65.041 1.00 0.00 H new ATOM 0 HD3 LYS A 24 35.484 37.239 65.752 1.00 0.00 H new ATOM 0 HE2 LYS A 24 34.028 35.475 66.487 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.129 36.388 65.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.780 34.356 64.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 34.360 34.497 63.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.072 33.623 65.165 1.00 0.00 H new ATOM 376 N ASN A 25 39.142 38.741 61.172 1.00 0.00 N ATOM 377 CA ASN A 25 40.058 39.731 60.573 1.00 0.00 C ATOM 378 C ASN A 25 39.370 40.152 59.214 1.00 0.00 C ATOM 379 O ASN A 25 39.209 39.358 58.287 1.00 0.00 O ATOM 380 CB ASN A 25 41.429 39.124 60.359 1.00 0.00 C ATOM 381 CG ASN A 25 42.395 40.160 59.852 1.00 0.00 C ATOM 382 OD1 ASN A 25 43.207 40.723 60.560 1.00 0.00 O ATOM 383 ND2 ASN A 25 42.256 40.441 58.543 1.00 0.00 N ATOM 0 H ASN A 25 39.036 37.907 60.594 1.00 0.00 H new ATOM 0 HA ASN A 25 40.220 40.598 61.214 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.797 38.704 61.295 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.361 38.302 59.646 1.00 0.00 H new ATOM 0 HD21 ASN A 25 42.845 41.151 58.108 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.561 39.944 57.986 1.00 0.00 H new ATOM 390 N ILE A 26 39.004 41.492 59.106 1.00 0.00 N ATOM 391 CA ILE A 26 37.897 41.900 58.193 1.00 0.00 C ATOM 392 C ILE A 26 38.256 43.003 57.129 1.00 0.00 C ATOM 393 O ILE A 26 37.572 43.167 56.122 1.00 0.00 O ATOM 394 CB ILE A 26 36.706 42.376 59.082 1.00 0.00 C ATOM 395 CG1 ILE A 26 36.638 43.903 59.366 1.00 0.00 C ATOM 396 CG2 ILE A 26 36.580 41.599 60.422 1.00 0.00 C ATOM 397 CD1 ILE A 26 37.697 44.518 60.301 1.00 0.00 C ATOM 0 H ILE A 26 39.445 42.256 59.618 1.00 0.00 H new ATOM 0 HA ILE A 26 37.650 41.026 57.590 1.00 0.00 H new ATOM 0 HB ILE A 26 35.853 42.139 58.447 1.00 0.00 H new ATOM 0 HG12 ILE A 26 36.697 44.422 58.409 1.00 0.00 H new ATOM 0 HG13 ILE A 26 35.656 44.120 59.787 1.00 0.00 H new ATOM 0 HG21 ILE A 26 35.731 41.984 60.987 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.428 40.540 60.215 1.00 0.00 H new ATOM 0 HG23 ILE A 26 37.492 41.728 61.005 1.00 0.00 H new ATOM 0 HD11 ILE A 26 37.517 45.588 60.400 1.00 0.00 H new ATOM 0 HD12 ILE A 26 37.634 44.047 61.282 1.00 0.00 H new ATOM 0 HD13 ILE A 26 38.690 44.354 59.883 1.00 0.00 H new ATOM 409 N TRP A 27 39.338 43.789 57.440 1.00 0.00 N ATOM 410 CA TRP A 27 40.021 44.896 56.770 1.00 0.00 C ATOM 411 C TRP A 27 41.063 44.280 55.757 1.00 0.00 C ATOM 412 O TRP A 27 40.702 43.886 54.655 1.00 0.00 O ATOM 413 CB TRP A 27 40.714 45.812 57.845 1.00 0.00 C ATOM 414 CG TRP A 27 41.282 45.043 59.012 1.00 0.00 C ATOM 415 CD1 TRP A 27 41.562 43.650 59.034 1.00 0.00 C ATOM 416 CD2 TRP A 27 41.466 45.435 60.333 1.00 0.00 C ATOM 417 NE1 TRP A 27 41.769 43.170 60.285 1.00 0.00 N ATOM 418 CE2 TRP A 27 41.754 44.298 61.088 1.00 0.00 C ATOM 419 CE3 TRP A 27 41.336 46.671 61.013 1.00 0.00 C ATOM 420 CZ2 TRP A 27 41.938 44.283 62.426 1.00 0.00 C ATOM 421 CZ3 TRP A 27 41.527 46.697 62.387 1.00 0.00 C ATOM 422 CH2 TRP A 27 41.827 45.511 63.092 1.00 0.00 C ATOM 0 H TRP A 27 39.812 43.606 58.324 1.00 0.00 H new ATOM 0 HA TRP A 27 39.319 45.521 56.217 1.00 0.00 H new ATOM 0 HB2 TRP A 27 41.515 46.377 57.368 1.00 0.00 H new ATOM 0 HB3 TRP A 27 39.989 46.537 58.215 1.00 0.00 H new ATOM 0 HD1 TRP A 27 41.605 43.037 58.146 1.00 0.00 H new ATOM 0 HE1 TRP A 27 41.905 42.200 60.570 1.00 0.00 H new ATOM 0 HE3 TRP A 27 41.093 47.574 60.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 42.160 43.369 62.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 41.446 47.632 62.922 1.00 0.00 H new ATOM 0 HH2 TRP A 27 41.973 45.551 64.161 1.00 0.00 H new ATOM 433 N THR A 28 42.395 44.213 56.158 1.00 0.00 N ATOM 434 CA THR A 28 43.510 43.787 55.302 1.00 0.00 C ATOM 435 C THR A 28 43.812 44.924 54.255 1.00 0.00 C ATOM 436 O THR A 28 42.971 45.773 53.961 1.00 0.00 O ATOM 437 CB THR A 28 43.408 42.410 54.581 1.00 0.00 C ATOM 438 OG1 THR A 28 44.661 41.978 54.052 1.00 0.00 O ATOM 439 CG2 THR A 28 42.746 41.238 55.323 1.00 0.00 C ATOM 0 H THR A 28 42.693 44.463 57.101 1.00 0.00 H new ATOM 0 HA THR A 28 44.326 43.622 56.005 1.00 0.00 H new ATOM 0 HB THR A 28 42.702 42.660 53.789 1.00 0.00 H new ATOM 0 HG1 THR A 28 44.729 42.247 53.112 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.754 40.353 54.686 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.297 41.030 56.240 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.717 41.498 55.569 1.00 0.00 H new ATOM 447 N PHE A 29 45.083 44.940 53.699 1.00 0.00 N ATOM 448 CA PHE A 29 45.416 45.932 52.673 1.00 0.00 C ATOM 449 C PHE A 29 44.448 45.711 51.467 1.00 0.00 C ATOM 450 O PHE A 29 43.777 46.641 51.023 1.00 0.00 O ATOM 451 CB PHE A 29 46.893 45.883 52.266 1.00 0.00 C ATOM 452 CG PHE A 29 47.166 46.847 51.137 1.00 0.00 C ATOM 453 CD1 PHE A 29 47.375 48.209 51.366 1.00 0.00 C ATOM 454 CD2 PHE A 29 47.199 46.385 49.819 1.00 0.00 C ATOM 455 CE1 PHE A 29 47.593 49.093 50.308 1.00 0.00 C ATOM 456 CE2 PHE A 29 47.413 47.254 48.751 1.00 0.00 C ATOM 457 CZ PHE A 29 47.606 48.619 48.991 1.00 0.00 C ATOM 0 H PHE A 29 45.837 44.300 53.948 1.00 0.00 H new ATOM 0 HA PHE A 29 45.278 46.937 53.072 1.00 0.00 H new ATOM 0 HB2 PHE A 29 47.520 46.131 53.122 1.00 0.00 H new ATOM 0 HB3 PHE A 29 47.158 44.871 51.959 1.00 0.00 H new ATOM 0 HD1 PHE A 29 47.368 48.584 52.379 1.00 0.00 H new ATOM 0 HD2 PHE A 29 47.056 45.332 49.624 1.00 0.00 H new ATOM 0 HE1 PHE A 29 47.752 50.143 50.506 1.00 0.00 H new ATOM 0 HE2 PHE A 29 47.430 46.875 47.740 1.00 0.00 H new ATOM 0 HZ PHE A 29 47.763 49.300 48.168 1.00 0.00 H new ATOM 467 N ASP A 30 44.412 44.435 50.939 1.00 0.00 N ATOM 468 CA ASP A 30 43.421 43.952 49.985 1.00 0.00 C ATOM 469 C ASP A 30 42.073 43.982 50.796 1.00 0.00 C ATOM 470 O ASP A 30 41.853 43.114 51.634 1.00 0.00 O ATOM 471 CB ASP A 30 43.776 42.538 49.473 1.00 0.00 C ATOM 472 CG ASP A 30 44.161 41.434 50.503 1.00 0.00 C ATOM 473 OD1 ASP A 30 44.893 41.789 51.433 1.00 0.00 O ATOM 474 OD2 ASP A 30 43.737 40.297 50.271 1.00 0.00 O ATOM 0 H ASP A 30 45.099 43.724 51.190 1.00 0.00 H new ATOM 0 HA ASP A 30 43.364 44.560 49.082 1.00 0.00 H new ATOM 0 HB2 ASP A 30 42.923 42.172 48.902 1.00 0.00 H new ATOM 0 HB3 ASP A 30 44.607 42.640 48.775 1.00 0.00 H new ATOM 479 N ASN A 31 41.118 44.979 50.545 1.00 0.00 N ATOM 480 CA ASN A 31 39.939 45.095 51.425 1.00 0.00 C ATOM 481 C ASN A 31 39.121 43.758 51.276 1.00 0.00 C ATOM 482 O ASN A 31 38.485 43.479 50.261 1.00 0.00 O ATOM 483 CB ASN A 31 39.072 46.363 51.200 1.00 0.00 C ATOM 484 CG ASN A 31 38.725 46.661 49.748 1.00 0.00 C ATOM 485 OD1 ASN A 31 39.374 47.421 49.052 1.00 0.00 O ATOM 486 ND2 ASN A 31 37.615 46.045 49.288 1.00 0.00 N ATOM 0 H ASN A 31 41.164 45.656 49.783 1.00 0.00 H new ATOM 0 HA ASN A 31 40.282 45.231 52.451 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.145 46.255 51.764 1.00 0.00 H new ATOM 0 HB3 ASN A 31 39.599 47.222 51.615 1.00 0.00 H new ATOM 0 HD21 ASN A 31 37.299 46.211 48.333 1.00 0.00 H new ATOM 0 HD22 ASN A 31 37.093 45.414 49.896 1.00 0.00 H new ATOM 493 N ILE A 32 39.105 42.911 52.386 1.00 0.00 N ATOM 494 CA ILE A 32 38.579 41.564 52.237 1.00 0.00 C ATOM 495 C ILE A 32 38.501 40.859 53.630 1.00 0.00 C ATOM 496 O ILE A 32 39.295 41.095 54.541 1.00 0.00 O ATOM 497 CB ILE A 32 39.434 40.626 51.312 1.00 0.00 C ATOM 498 CG1 ILE A 32 38.659 39.499 50.597 1.00 0.00 C ATOM 499 CG2 ILE A 32 40.621 39.984 52.069 1.00 0.00 C ATOM 500 CD1 ILE A 32 37.728 39.948 49.462 1.00 0.00 C ATOM 0 H ILE A 32 39.437 43.155 53.319 1.00 0.00 H new ATOM 0 HA ILE A 32 37.602 41.703 51.775 1.00 0.00 H new ATOM 0 HB ILE A 32 39.784 41.313 50.541 1.00 0.00 H new ATOM 0 HG12 ILE A 32 39.379 38.788 50.192 1.00 0.00 H new ATOM 0 HG13 ILE A 32 38.066 38.964 51.339 1.00 0.00 H new ATOM 0 HG21 ILE A 32 41.183 39.344 51.389 1.00 0.00 H new ATOM 0 HG22 ILE A 32 41.274 40.768 52.453 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.243 39.387 52.899 1.00 0.00 H new ATOM 0 HD11 ILE A 32 37.235 39.077 49.030 1.00 0.00 H new ATOM 0 HD12 ILE A 32 36.977 40.632 49.857 1.00 0.00 H new ATOM 0 HD13 ILE A 32 38.311 40.454 48.692 1.00 0.00 H new ATOM 512 N ILE A 33 37.520 39.888 53.756 1.00 0.00 N ATOM 513 CA ILE A 33 37.484 39.051 54.967 1.00 0.00 C ATOM 514 C ILE A 33 38.483 37.879 54.664 1.00 0.00 C ATOM 515 O ILE A 33 38.272 37.075 53.759 1.00 0.00 O ATOM 516 CB ILE A 33 36.108 38.516 55.380 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.022 39.620 55.442 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.210 37.717 56.704 1.00 0.00 C ATOM 519 CD1 ILE A 33 33.585 39.075 55.422 1.00 0.00 C ATOM 0 H ILE A 33 36.796 39.692 53.065 1.00 0.00 H new ATOM 0 HA ILE A 33 37.757 39.660 55.829 1.00 0.00 H new ATOM 0 HB ILE A 33 35.779 37.832 54.597 1.00 0.00 H new ATOM 0 HG12 ILE A 33 35.166 40.208 56.349 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.156 40.297 54.598 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.224 37.345 56.981 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.890 36.876 56.570 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.588 38.367 57.493 1.00 0.00 H new ATOM 0 HD11 ILE A 33 32.880 39.905 55.468 1.00 0.00 H new ATOM 0 HD12 ILE A 33 33.422 38.512 54.503 1.00 0.00 H new ATOM 0 HD13 ILE A 33 33.432 38.421 56.281 1.00 0.00 H new ATOM 531 N ARG A 34 39.623 37.765 55.444 1.00 0.00 N ATOM 532 CA ARG A 34 40.602 36.698 55.193 1.00 0.00 C ATOM 533 C ARG A 34 41.284 36.554 56.567 1.00 0.00 C ATOM 534 O ARG A 34 42.302 37.146 56.920 1.00 0.00 O ATOM 535 CB ARG A 34 41.589 36.943 54.050 1.00 0.00 C ATOM 536 CG ARG A 34 42.612 35.809 53.862 1.00 0.00 C ATOM 537 CD ARG A 34 43.313 35.903 52.496 1.00 0.00 C ATOM 538 NE ARG A 34 44.186 37.067 52.207 1.00 0.00 N ATOM 539 CZ ARG A 34 44.630 38.002 53.034 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.909 37.757 54.287 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.815 39.201 52.573 1.00 0.00 N ATOM 0 H ARG A 34 39.857 38.387 56.218 1.00 0.00 H new ATOM 0 HA ARG A 34 40.119 35.790 54.832 1.00 0.00 H new ATOM 0 HB2 ARG A 34 41.032 37.075 53.123 1.00 0.00 H new ATOM 0 HB3 ARG A 34 42.123 37.875 54.236 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.356 35.853 54.658 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.109 34.846 53.949 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.916 35.003 52.375 1.00 0.00 H new ATOM 0 HD3 ARG A 34 42.540 35.875 51.728 1.00 0.00 H new ATOM 0 HE ARG A 34 44.486 37.161 51.237 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.787 36.816 54.662 1.00 0.00 H new ATOM 0 HH12 ARG A 34 45.249 38.506 54.890 1.00 0.00 H new ATOM 0 HH21 ARG A 34 44.619 39.407 51.593 1.00 0.00 H new ATOM 0 HH22 ARG A 34 45.156 39.938 53.190 1.00 0.00 H new ATOM 555 N ARG A 35 40.575 35.698 57.374 1.00 0.00 N ATOM 556 CA ARG A 35 40.799 35.524 58.800 1.00 0.00 C ATOM 557 C ARG A 35 41.397 34.149 59.182 1.00 0.00 C ATOM 558 O ARG A 35 41.877 33.433 58.304 1.00 0.00 O ATOM 559 CB ARG A 35 39.482 35.970 59.463 1.00 0.00 C ATOM 560 CG ARG A 35 38.121 35.305 59.127 1.00 0.00 C ATOM 561 CD ARG A 35 37.725 33.922 59.691 1.00 0.00 C ATOM 562 NE ARG A 35 37.203 33.819 61.089 1.00 0.00 N ATOM 563 CZ ARG A 35 37.628 32.935 61.981 1.00 0.00 C ATOM 564 NH1 ARG A 35 38.883 32.604 62.086 1.00 0.00 N ATOM 565 NH2 ARG A 35 36.748 32.372 62.761 1.00 0.00 N ATOM 0 H ARG A 35 39.822 35.110 57.016 1.00 0.00 H new ATOM 0 HA ARG A 35 41.605 36.144 59.193 1.00 0.00 H new ATOM 0 HB2 ARG A 35 39.623 35.869 60.539 1.00 0.00 H new ATOM 0 HB3 ARG A 35 39.371 37.034 59.255 1.00 0.00 H new ATOM 0 HG2 ARG A 35 37.344 36.005 59.436 1.00 0.00 H new ATOM 0 HG3 ARG A 35 38.068 35.229 58.041 1.00 0.00 H new ATOM 0 HD2 ARG A 35 36.968 33.503 59.028 1.00 0.00 H new ATOM 0 HD3 ARG A 35 38.601 33.278 59.621 1.00 0.00 H new ATOM 0 HE ARG A 35 36.473 34.471 61.375 1.00 0.00 H new ATOM 0 HH11 ARG A 35 39.576 33.029 61.470 1.00 0.00 H new ATOM 0 HH12 ARG A 35 39.173 31.920 62.785 1.00 0.00 H new ATOM 0 HH21 ARG A 35 35.761 32.615 62.676 1.00 0.00 H new ATOM 0 HH22 ARG A 35 37.046 31.688 63.457 1.00 0.00 H new ATOM 579 N GLY A 36 41.459 33.829 60.541 1.00 0.00 N ATOM 580 CA GLY A 36 42.273 32.627 60.785 1.00 0.00 C ATOM 581 C GLY A 36 42.450 32.120 62.221 1.00 0.00 C ATOM 582 O GLY A 36 41.802 32.595 63.144 1.00 0.00 O ATOM 0 H GLY A 36 41.029 34.306 61.333 1.00 0.00 H new ATOM 0 HA2 GLY A 36 41.840 31.814 60.202 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.267 32.816 60.380 1.00 0.00 H new ATOM 586 N CYS A 37 43.349 31.077 62.351 1.00 0.00 N ATOM 587 CA CYS A 37 43.674 30.417 63.628 1.00 0.00 C ATOM 588 C CYS A 37 45.091 30.908 64.091 1.00 0.00 C ATOM 589 O CYS A 37 46.130 30.585 63.519 1.00 0.00 O ATOM 590 CB CYS A 37 43.623 28.872 63.524 1.00 0.00 C ATOM 591 SG CYS A 37 44.707 28.169 62.231 1.00 0.00 S ATOM 0 H CYS A 37 43.857 30.687 61.557 1.00 0.00 H new ATOM 0 HA CYS A 37 42.922 30.691 64.368 1.00 0.00 H new ATOM 0 HB2 CYS A 37 43.902 28.445 64.487 1.00 0.00 H new ATOM 0 HB3 CYS A 37 42.596 28.567 63.326 1.00 0.00 H new ATOM 596 N GLY A 38 45.104 31.801 65.155 1.00 0.00 N ATOM 597 CA GLY A 38 46.378 32.266 65.693 1.00 0.00 C ATOM 598 C GLY A 38 46.007 32.937 67.028 1.00 0.00 C ATOM 599 O GLY A 38 45.977 32.305 68.079 1.00 0.00 O ATOM 0 H GLY A 38 44.274 32.177 65.613 1.00 0.00 H new ATOM 0 HA2 GLY A 38 47.072 31.439 65.843 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.863 32.969 65.016 1.00 0.00 H new ATOM 603 N CYS A 39 45.667 34.282 66.957 1.00 0.00 N ATOM 604 CA CYS A 39 45.250 34.988 68.166 1.00 0.00 C ATOM 605 C CYS A 39 46.451 35.130 69.154 1.00 0.00 C ATOM 606 O CYS A 39 47.599 35.333 68.764 1.00 0.00 O ATOM 607 CB CYS A 39 44.596 36.347 67.850 1.00 0.00 C ATOM 608 SG CYS A 39 43.904 37.193 69.313 1.00 0.00 S ATOM 0 H CYS A 39 45.682 34.844 66.106 1.00 0.00 H new ATOM 0 HA CYS A 39 44.481 34.390 68.654 1.00 0.00 H new ATOM 0 HB2 CYS A 39 45.337 36.996 67.384 1.00 0.00 H new ATOM 0 HB3 CYS A 39 43.801 36.196 67.120 1.00 0.00 H new ATOM 613 N PHE A 40 46.130 35.047 70.499 1.00 0.00 N ATOM 614 CA PHE A 40 47.103 35.106 71.597 1.00 0.00 C ATOM 615 C PHE A 40 48.025 36.369 71.448 1.00 0.00 C ATOM 616 O PHE A 40 49.177 36.354 71.882 1.00 0.00 O ATOM 617 CB PHE A 40 47.917 33.811 71.821 1.00 0.00 C ATOM 618 CG PHE A 40 47.037 32.576 71.875 1.00 0.00 C ATOM 619 CD1 PHE A 40 46.049 32.422 72.853 1.00 0.00 C ATOM 620 CD2 PHE A 40 47.159 31.574 70.904 1.00 0.00 C ATOM 621 CE1 PHE A 40 45.208 31.314 72.861 1.00 0.00 C ATOM 622 CE2 PHE A 40 46.324 30.460 70.896 1.00 0.00 C ATOM 623 CZ PHE A 40 45.363 30.316 71.900 1.00 0.00 C ATOM 0 H PHE A 40 45.170 34.936 70.825 1.00 0.00 H new ATOM 0 HA PHE A 40 46.514 35.203 72.509 1.00 0.00 H new ATOM 0 HB2 PHE A 40 48.646 33.700 71.018 1.00 0.00 H new ATOM 0 HB3 PHE A 40 48.479 33.895 72.751 1.00 0.00 H new ATOM 0 HD1 PHE A 40 45.937 33.178 73.616 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.919 31.668 70.143 1.00 0.00 H new ATOM 0 HE1 PHE A 40 44.436 31.227 73.611 1.00 0.00 H new ATOM 0 HE2 PHE A 40 46.418 29.714 70.121 1.00 0.00 H new ATOM 0 HZ PHE A 40 44.742 29.433 71.932 1.00 0.00 H new ATOM 735 N GLY A 48 45.479 44.096 65.579 1.00 0.00 N ATOM 736 CA GLY A 48 45.104 42.826 66.209 1.00 0.00 C ATOM 737 C GLY A 48 43.563 42.689 65.956 1.00 0.00 C ATOM 738 O GLY A 48 42.785 43.503 66.459 1.00 0.00 O ATOM 0 HA2 GLY A 48 45.652 41.991 65.772 1.00 0.00 H new ATOM 0 HA3 GLY A 48 45.330 42.832 67.275 1.00 0.00 H new ATOM 742 N PRO A 49 43.121 41.680 65.111 1.00 0.00 N ATOM 743 CA PRO A 49 41.684 41.402 64.929 1.00 0.00 C ATOM 744 C PRO A 49 40.990 41.152 66.295 1.00 0.00 C ATOM 745 O PRO A 49 41.620 40.900 67.322 1.00 0.00 O ATOM 746 CB PRO A 49 41.645 40.098 64.112 1.00 0.00 C ATOM 747 CG PRO A 49 42.931 39.415 64.560 1.00 0.00 C ATOM 748 CD PRO A 49 43.908 40.582 64.552 1.00 0.00 C ATOM 0 HA PRO A 49 41.173 42.236 64.448 1.00 0.00 H new ATOM 0 HB2 PRO A 49 40.763 39.499 64.339 1.00 0.00 H new ATOM 0 HB3 PRO A 49 41.634 40.287 63.039 1.00 0.00 H new ATOM 0 HG2 PRO A 49 42.835 38.966 65.549 1.00 0.00 H new ATOM 0 HG3 PRO A 49 43.234 38.621 63.878 1.00 0.00 H new ATOM 0 HD2 PRO A 49 44.791 40.372 65.155 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.257 40.809 63.544 1.00 0.00 H new ATOM 756 N TYR A 50 39.606 41.221 66.263 1.00 0.00 N ATOM 757 CA TYR A 50 38.871 40.937 67.504 1.00 0.00 C ATOM 758 C TYR A 50 38.820 39.367 67.570 1.00 0.00 C ATOM 759 O TYR A 50 38.381 38.683 66.642 1.00 0.00 O ATOM 760 CB TYR A 50 37.478 41.632 67.718 1.00 0.00 C ATOM 761 CG TYR A 50 36.351 41.124 66.850 1.00 0.00 C ATOM 762 CD1 TYR A 50 36.227 41.487 65.511 1.00 0.00 C ATOM 763 CD2 TYR A 50 35.360 40.307 67.390 1.00 0.00 C ATOM 764 CE1 TYR A 50 35.162 41.054 64.739 1.00 0.00 C ATOM 765 CE2 TYR A 50 34.285 39.859 66.638 1.00 0.00 C ATOM 766 CZ TYR A 50 34.162 40.232 65.296 1.00 0.00 C ATOM 767 OH TYR A 50 33.128 39.828 64.507 1.00 0.00 O ATOM 0 H TYR A 50 39.039 41.454 65.448 1.00 0.00 H new ATOM 0 HA TYR A 50 39.398 41.394 68.342 1.00 0.00 H new ATOM 0 HB2 TYR A 50 37.190 41.512 68.762 1.00 0.00 H new ATOM 0 HB3 TYR A 50 37.595 42.701 67.540 1.00 0.00 H new ATOM 0 HD1 TYR A 50 36.979 42.121 65.064 1.00 0.00 H new ATOM 0 HD2 TYR A 50 35.432 40.014 68.427 1.00 0.00 H new ATOM 0 HE1 TYR A 50 35.097 41.349 63.702 1.00 0.00 H new ATOM 0 HE2 TYR A 50 33.541 39.220 67.090 1.00 0.00 H new ATOM 0 HH TYR A 50 32.518 39.266 65.029 1.00 0.00 H new ATOM 777 N CYS A 51 39.288 38.777 68.742 1.00 0.00 N ATOM 778 CA CYS A 51 39.588 37.329 68.774 1.00 0.00 C ATOM 779 C CYS A 51 38.618 36.540 69.719 1.00 0.00 C ATOM 780 O CYS A 51 38.257 36.970 70.811 1.00 0.00 O ATOM 781 CB CYS A 51 41.031 37.091 69.273 1.00 0.00 C ATOM 782 SG CYS A 51 42.282 38.100 68.414 1.00 0.00 S ATOM 0 H CYS A 51 39.450 39.273 69.618 1.00 0.00 H new ATOM 0 HA CYS A 51 39.462 36.966 67.754 1.00 0.00 H new ATOM 0 HB2 CYS A 51 41.076 37.305 70.341 1.00 0.00 H new ATOM 0 HB3 CYS A 51 41.280 36.037 69.148 1.00 0.00 H new ATOM 787 N CYS A 52 38.228 35.300 69.246 1.00 0.00 N ATOM 788 CA CYS A 52 37.355 34.365 69.973 1.00 0.00 C ATOM 789 C CYS A 52 38.138 33.074 70.400 1.00 0.00 C ATOM 790 O CYS A 52 39.253 32.828 69.941 1.00 0.00 O ATOM 791 CB CYS A 52 36.177 33.993 69.073 1.00 0.00 C ATOM 792 SG CYS A 52 34.763 33.112 69.805 1.00 0.00 S ATOM 0 H CYS A 52 38.527 34.942 68.339 1.00 0.00 H new ATOM 0 HA CYS A 52 36.995 34.848 70.882 1.00 0.00 H new ATOM 0 HB2 CYS A 52 35.799 34.913 68.627 1.00 0.00 H new ATOM 0 HB3 CYS A 52 36.564 33.379 68.259 1.00 0.00 H new ATOM 797 N GLU A 53 37.507 32.228 71.295 1.00 0.00 N ATOM 798 CA GLU A 53 38.156 30.977 71.723 1.00 0.00 C ATOM 799 C GLU A 53 37.149 29.781 71.664 1.00 0.00 C ATOM 800 O GLU A 53 37.133 28.916 72.539 1.00 0.00 O ATOM 801 CB GLU A 53 38.918 31.104 73.058 1.00 0.00 C ATOM 802 CG GLU A 53 38.089 31.449 74.318 1.00 0.00 C ATOM 803 CD GLU A 53 38.823 30.952 75.563 1.00 0.00 C ATOM 804 OE1 GLU A 53 38.992 29.782 75.857 1.00 0.00 O ATOM 805 OE2 GLU A 53 39.260 31.956 76.319 1.00 0.00 O ATOM 0 H GLU A 53 36.589 32.400 71.705 1.00 0.00 H new ATOM 0 HA GLU A 53 38.945 30.753 71.005 1.00 0.00 H new ATOM 0 HB2 GLU A 53 39.435 30.162 73.242 1.00 0.00 H new ATOM 0 HB3 GLU A 53 39.684 31.870 72.938 1.00 0.00 H new ATOM 0 HG2 GLU A 53 37.933 32.526 74.380 1.00 0.00 H new ATOM 0 HG3 GLU A 53 37.103 30.988 74.255 1.00 0.00 H new ATOM 813 N SER A 54 36.358 29.700 70.531 1.00 0.00 N ATOM 814 CA SER A 54 35.408 28.608 70.312 1.00 0.00 C ATOM 815 C SER A 54 35.378 28.194 68.796 1.00 0.00 C ATOM 816 O SER A 54 36.045 28.800 67.960 1.00 0.00 O ATOM 817 CB SER A 54 33.990 28.908 70.873 1.00 0.00 C ATOM 818 OG SER A 54 33.179 27.736 70.891 1.00 0.00 O ATOM 0 H SER A 54 36.381 30.387 69.778 1.00 0.00 H new ATOM 0 HA SER A 54 35.765 27.753 70.886 1.00 0.00 H new ATOM 0 HB2 SER A 54 34.074 29.310 71.883 1.00 0.00 H new ATOM 0 HB3 SER A 54 33.511 29.675 70.264 1.00 0.00 H new ATOM 0 HG SER A 54 32.294 27.956 71.250 1.00 0.00 H new ATOM 824 N ASP A 55 34.634 27.064 68.496 1.00 0.00 N ATOM 825 CA ASP A 55 34.539 26.497 67.141 1.00 0.00 C ATOM 826 C ASP A 55 33.719 27.568 66.304 1.00 0.00 C ATOM 827 O ASP A 55 32.502 27.686 66.437 1.00 0.00 O ATOM 828 CB ASP A 55 33.848 25.116 67.219 1.00 0.00 C ATOM 829 CG ASP A 55 33.666 24.419 65.853 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.681 24.324 65.154 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.525 24.034 65.581 1.00 0.00 O ATOM 0 H ASP A 55 34.100 26.547 69.194 1.00 0.00 H new ATOM 0 HA ASP A 55 35.503 26.318 66.665 1.00 0.00 H new ATOM 0 HB2 ASP A 55 34.433 24.466 67.870 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.870 25.238 67.685 1.00 0.00 H new ATOM 836 N LYS A 56 34.430 28.395 65.431 1.00 0.00 N ATOM 837 CA LYS A 56 33.904 29.451 64.561 1.00 0.00 C ATOM 838 C LYS A 56 33.464 30.716 65.374 1.00 0.00 C ATOM 839 O LYS A 56 33.988 31.807 65.147 1.00 0.00 O ATOM 840 CB LYS A 56 32.788 29.110 63.547 1.00 0.00 C ATOM 841 CG LYS A 56 33.109 27.929 62.610 1.00 0.00 C ATOM 842 CD LYS A 56 32.855 26.567 63.276 1.00 0.00 C ATOM 843 CE LYS A 56 32.788 25.353 62.349 1.00 0.00 C ATOM 844 NZ LYS A 56 32.991 24.101 63.213 1.00 0.00 N ATOM 0 H LYS A 56 35.442 28.307 65.339 1.00 0.00 H new ATOM 0 HA LYS A 56 34.781 29.633 63.939 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.874 28.883 64.096 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.585 29.993 62.941 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.502 28.008 61.708 1.00 0.00 H new ATOM 0 HG3 LYS A 56 34.152 27.989 62.298 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.644 26.393 64.008 1.00 0.00 H new ATOM 0 HD3 LYS A 56 31.916 26.627 63.827 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.826 25.314 61.837 1.00 0.00 H new ATOM 0 HE3 LYS A 56 33.557 25.416 61.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 32.884 23.251 62.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 33.945 24.116 63.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.282 24.086 63.974 1.00 0.00 H new ATOM 858 N CYS A 57 32.415 30.537 66.258 1.00 0.00 N ATOM 859 CA CYS A 57 31.721 31.563 67.036 1.00 0.00 C ATOM 860 C CYS A 57 31.251 32.638 65.995 1.00 0.00 C ATOM 861 O CYS A 57 31.603 33.809 66.115 1.00 0.00 O ATOM 862 CB CYS A 57 32.489 32.111 68.284 1.00 0.00 C ATOM 863 SG CYS A 57 34.021 32.985 67.857 1.00 0.00 S ATOM 0 H CYS A 57 32.032 29.608 66.435 1.00 0.00 H new ATOM 0 HA CYS A 57 30.862 31.132 67.550 1.00 0.00 H new ATOM 0 HB2 CYS A 57 31.836 32.786 68.836 1.00 0.00 H new ATOM 0 HB3 CYS A 57 32.726 31.281 68.950 1.00 0.00 H new ATOM 868 N ASN A 58 30.428 32.204 64.957 1.00 0.00 N ATOM 869 CA ASN A 58 29.854 33.055 63.907 1.00 0.00 C ATOM 870 C ASN A 58 31.048 33.578 63.037 1.00 0.00 C ATOM 871 O ASN A 58 31.609 34.631 63.332 1.00 0.00 O ATOM 872 CB ASN A 58 28.945 34.204 64.358 1.00 0.00 C ATOM 873 CG ASN A 58 27.649 33.684 64.968 1.00 0.00 C ATOM 874 OD1 ASN A 58 27.601 33.028 65.993 1.00 0.00 O ATOM 875 ND2 ASN A 58 26.534 34.029 64.285 1.00 0.00 N ATOM 0 H ASN A 58 30.160 31.225 64.856 1.00 0.00 H new ATOM 0 HA ASN A 58 29.160 32.431 63.344 1.00 0.00 H new ATOM 0 HB2 ASN A 58 29.470 34.820 65.088 1.00 0.00 H new ATOM 0 HB3 ASN A 58 28.716 34.844 63.506 1.00 0.00 H new ATOM 0 HD21 ASN A 58 25.617 33.739 64.625 1.00 0.00 H new ATOM 0 HD22 ASN A 58 26.610 34.579 63.430 1.00 0.00 H new ATOM 882 N LEU A 59 31.413 32.835 61.921 1.00 0.00 N ATOM 883 CA LEU A 59 32.455 33.244 60.942 1.00 0.00 C ATOM 884 C LEU A 59 33.837 33.050 61.685 1.00 0.00 C ATOM 885 O LEU A 59 34.243 31.883 61.757 1.00 0.00 O ATOM 886 CB LEU A 59 32.164 34.620 60.321 1.00 0.00 C ATOM 887 CG LEU A 59 32.973 35.107 59.096 1.00 0.00 C ATOM 888 CD1 LEU A 59 32.890 34.189 57.868 1.00 0.00 C ATOM 889 CD2 LEU A 59 32.442 36.502 58.720 1.00 0.00 C ATOM 890 OXT LEU A 59 34.396 34.056 62.140 1.00 0.00 O ATOM 0 H LEU A 59 30.981 31.939 61.694 1.00 0.00 H new ATOM 0 HA LEU A 59 32.475 32.627 60.044 1.00 0.00 H new ATOM 0 HB2 LEU A 59 31.111 34.631 60.038 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.290 35.363 61.108 1.00 0.00 H new ATOM 0 HG LEU A 59 34.024 35.114 59.383 1.00 0.00 H new ATOM 0 HD11 LEU A 59 33.487 34.609 57.059 1.00 0.00 H new ATOM 0 HD12 LEU A 59 33.272 33.201 58.126 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.852 34.104 57.547 1.00 0.00 H new ATOM 0 HD21 LEU A 59 32.990 36.880 57.857 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.382 36.434 58.475 1.00 0.00 H new ATOM 0 HD23 LEU A 59 32.577 37.182 59.561 1.00 0.00 H new