USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 510 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 Single : A 1 ALA N :NH3+ -129:sc= -0.177 (180deg=-1.51) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.645 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.0774 USER MOD Single : A 12 HIS : no HD1:sc= -0.751 X(o=-0.75,f=-0.46) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0288 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.028 X(o=-0.028,f=-0.38) USER MOD Single : A 46 ASN : amide:sc= -0.0471 X(o=-0.047,f=-0.23) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -37:sc= 1.13 USER MOD Single : A 53 ASN : amide:sc= -0.713 X(o=-0.71,f=-0.45) USER MOD Single : A 55 LYS NZ :NH3+ -168:sc=-0.00211 (180deg=-0.119) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.429 -1.849 0.166 1.00 32.32 N ATOM 2 CA ALA A 1 1.457 -1.632 -0.844 1.00 2.44 C ATOM 3 C ALA A 1 0.844 -1.165 -2.160 1.00 22.33 C ATOM 4 O ALA A 1 0.820 -1.892 -3.153 1.00 60.21 O ATOM 5 CB ALA A 1 2.265 -2.903 -1.057 1.00 21.23 C ATOM 0 H1 ALA A 1 0.686 -1.343 1.037 1.00 32.32 H new ATOM 0 H2 ALA A 1 -0.483 -1.493 -0.185 1.00 32.32 H new ATOM 0 H3 ALA A 1 0.349 -2.866 0.367 1.00 32.32 H new ATOM 0 HA ALA A 1 2.123 -0.847 -0.485 1.00 2.44 H new ATOM 0 HB1 ALA A 1 3.029 -2.726 -1.814 1.00 21.23 H new ATOM 0 HB2 ALA A 1 2.742 -3.192 -0.121 1.00 21.23 H new ATOM 0 HB3 ALA A 1 1.604 -3.703 -1.389 1.00 21.23 H new ATOM 11 N PRO A 2 0.336 0.076 -2.170 1.00 33.23 N ATOM 12 CA PRO A 2 -0.287 0.667 -3.358 1.00 31.41 C ATOM 13 C PRO A 2 0.728 0.968 -4.455 1.00 50.31 C ATOM 14 O PRO A 2 1.926 1.075 -4.193 1.00 73.34 O ATOM 15 CB PRO A 2 -0.903 1.964 -2.828 1.00 21.12 C ATOM 16 CG PRO A 2 -0.087 2.309 -1.630 1.00 21.30 C ATOM 17 CD PRO A 2 0.330 0.998 -1.022 1.00 0.22 C ATOM 0 HA PRO A 2 -1.010 -0.007 -3.817 1.00 31.41 H new ATOM 0 HB2 PRO A 2 -0.863 2.756 -3.576 1.00 21.12 H new ATOM 0 HB3 PRO A 2 -1.952 1.826 -2.566 1.00 21.12 H new ATOM 0 HG2 PRO A 2 0.783 2.904 -1.908 1.00 21.30 H new ATOM 0 HG3 PRO A 2 -0.665 2.902 -0.921 1.00 21.30 H new ATOM 0 HD2 PRO A 2 1.313 1.066 -0.556 1.00 0.22 H new ATOM 0 HD3 PRO A 2 -0.367 0.673 -0.250 1.00 0.22 H new ATOM 25 N ALA A 3 0.241 1.105 -5.684 1.00 51.40 N ATOM 26 CA ALA A 3 1.106 1.397 -6.820 1.00 52.44 C ATOM 27 C ALA A 3 0.804 2.775 -7.400 1.00 40.12 C ATOM 28 O ALA A 3 -0.345 3.218 -7.408 1.00 22.41 O ATOM 29 CB ALA A 3 0.951 0.327 -7.890 1.00 70.23 C ATOM 0 H ALA A 3 -0.748 1.018 -5.918 1.00 51.40 H new ATOM 0 HA ALA A 3 2.138 1.397 -6.469 1.00 52.44 H new ATOM 0 HB1 ALA A 3 1.603 0.558 -8.733 1.00 70.23 H new ATOM 0 HB2 ALA A 3 1.223 -0.644 -7.476 1.00 70.23 H new ATOM 0 HB3 ALA A 3 -0.084 0.299 -8.229 1.00 70.23 H new ATOM 35 N ARG A 4 1.842 3.449 -7.884 1.00 64.43 N ATOM 36 CA ARG A 4 1.688 4.777 -8.464 1.00 50.24 C ATOM 37 C ARG A 4 2.323 4.843 -9.850 1.00 61.53 C ATOM 38 O ARG A 4 3.395 4.283 -10.080 1.00 64.13 O ATOM 39 CB ARG A 4 2.318 5.832 -7.553 1.00 24.54 C ATOM 40 CG ARG A 4 3.704 5.456 -7.055 1.00 24.25 C ATOM 41 CD ARG A 4 3.701 5.171 -5.561 1.00 22.42 C ATOM 42 NE ARG A 4 4.984 4.646 -5.101 1.00 61.41 N ATOM 43 CZ ARG A 4 5.247 4.354 -3.832 1.00 35.10 C ATOM 44 NH1 ARG A 4 4.320 4.535 -2.901 1.00 74.24 N ATOM 45 NH2 ARG A 4 6.438 3.880 -3.492 1.00 22.33 N ATOM 0 H ARG A 4 2.799 3.097 -7.886 1.00 64.43 H new ATOM 0 HA ARG A 4 0.622 4.981 -8.561 1.00 50.24 H new ATOM 0 HB2 ARG A 4 2.379 6.777 -8.093 1.00 24.54 H new ATOM 0 HB3 ARG A 4 1.665 5.996 -6.696 1.00 24.54 H new ATOM 0 HG2 ARG A 4 4.059 4.577 -7.593 1.00 24.25 H new ATOM 0 HG3 ARG A 4 4.401 6.266 -7.271 1.00 24.25 H new ATOM 0 HD2 ARG A 4 3.468 6.087 -5.018 1.00 22.42 H new ATOM 0 HD3 ARG A 4 2.913 4.455 -5.330 1.00 22.42 H new ATOM 0 HE ARG A 4 5.719 4.495 -5.792 1.00 61.41 H new ATOM 0 HH11 ARG A 4 3.403 4.899 -3.159 1.00 74.24 H new ATOM 0 HH12 ARG A 4 4.524 4.310 -1.927 1.00 74.24 H new ATOM 0 HH21 ARG A 4 7.153 3.739 -4.205 1.00 22.33 H new ATOM 0 HH22 ARG A 4 6.639 3.656 -2.517 1.00 22.33 H new ATOM 59 N PHE A 5 1.654 5.529 -10.770 1.00 73.15 N ATOM 60 CA PHE A 5 2.152 5.666 -12.134 1.00 55.22 C ATOM 61 C PHE A 5 2.027 7.109 -12.616 1.00 74.42 C ATOM 62 O PHE A 5 1.479 7.963 -11.919 1.00 5.24 O ATOM 63 CB PHE A 5 1.386 4.734 -13.076 1.00 31.05 C ATOM 64 CG PHE A 5 1.899 3.322 -13.070 1.00 4.54 C ATOM 65 CD1 PHE A 5 1.730 2.514 -11.957 1.00 11.31 C ATOM 66 CD2 PHE A 5 2.551 2.804 -14.177 1.00 31.42 C ATOM 67 CE1 PHE A 5 2.202 1.215 -11.949 1.00 1.53 C ATOM 68 CE2 PHE A 5 3.025 1.505 -14.175 1.00 10.25 C ATOM 69 CZ PHE A 5 2.849 0.710 -13.059 1.00 63.22 C ATOM 0 H PHE A 5 0.766 5.999 -10.596 1.00 73.15 H new ATOM 0 HA PHE A 5 3.206 5.389 -12.139 1.00 55.22 H new ATOM 0 HB2 PHE A 5 0.333 4.731 -12.794 1.00 31.05 H new ATOM 0 HB3 PHE A 5 1.443 5.129 -14.090 1.00 31.05 H new ATOM 0 HD1 PHE A 5 1.224 2.904 -11.086 1.00 11.31 H new ATOM 0 HD2 PHE A 5 2.691 3.422 -15.052 1.00 31.42 H new ATOM 0 HE1 PHE A 5 2.065 0.596 -11.075 1.00 1.53 H new ATOM 0 HE2 PHE A 5 3.532 1.113 -15.044 1.00 10.25 H new ATOM 0 HZ PHE A 5 3.217 -0.305 -13.055 1.00 63.22 H new ATOM 79 N CYS A 6 2.538 7.372 -13.814 1.00 4.32 N ATOM 80 CA CYS A 6 2.486 8.710 -14.391 1.00 2.25 C ATOM 81 C CYS A 6 2.079 8.654 -15.860 1.00 71.41 C ATOM 82 O CYS A 6 2.521 7.779 -16.605 1.00 31.41 O ATOM 83 CB CYS A 6 3.844 9.401 -14.253 1.00 4.04 C ATOM 84 SG CYS A 6 4.295 9.819 -12.538 1.00 1.31 S ATOM 0 H CYS A 6 2.993 6.676 -14.404 1.00 4.32 H new ATOM 0 HA CYS A 6 1.736 9.284 -13.846 1.00 2.25 H new ATOM 0 HB2 CYS A 6 4.614 8.753 -14.672 1.00 4.04 H new ATOM 0 HB3 CYS A 6 3.837 10.314 -14.848 1.00 4.04 H new ATOM 89 N VAL A 7 1.233 9.593 -16.271 1.00 2.44 N ATOM 90 CA VAL A 7 0.767 9.652 -17.651 1.00 12.02 C ATOM 91 C VAL A 7 1.189 10.956 -18.319 1.00 32.05 C ATOM 92 O VAL A 7 1.302 11.993 -17.664 1.00 31.41 O ATOM 93 CB VAL A 7 -0.766 9.519 -17.732 1.00 4.24 C ATOM 94 CG1 VAL A 7 -1.217 9.411 -19.180 1.00 63.41 C ATOM 95 CG2 VAL A 7 -1.239 8.319 -16.926 1.00 11.14 C ATOM 0 H VAL A 7 0.856 10.324 -15.667 1.00 2.44 H new ATOM 0 HA VAL A 7 1.225 8.814 -18.176 1.00 12.02 H new ATOM 0 HB VAL A 7 -1.215 10.415 -17.304 1.00 4.24 H new ATOM 0 HG11 VAL A 7 -2.302 9.318 -19.217 1.00 63.41 H new ATOM 0 HG12 VAL A 7 -0.911 10.304 -19.724 1.00 63.41 H new ATOM 0 HG13 VAL A 7 -0.762 8.533 -19.638 1.00 63.41 H new ATOM 0 HG21 VAL A 7 -2.324 8.240 -16.994 1.00 11.14 H new ATOM 0 HG22 VAL A 7 -0.783 7.412 -17.323 1.00 11.14 H new ATOM 0 HG23 VAL A 7 -0.949 8.444 -15.883 1.00 11.14 H new ATOM 105 N TYR A 8 1.420 10.897 -19.625 1.00 41.12 N ATOM 106 CA TYR A 8 1.832 12.073 -20.382 1.00 52.23 C ATOM 107 C TYR A 8 0.820 12.398 -21.477 1.00 61.22 C ATOM 108 O TYR A 8 0.332 11.506 -22.171 1.00 72.14 O ATOM 109 CB TYR A 8 3.214 11.851 -20.999 1.00 73.41 C ATOM 110 CG TYR A 8 4.161 13.012 -20.797 1.00 60.43 C ATOM 111 CD1 TYR A 8 4.405 13.522 -19.528 1.00 22.30 C ATOM 112 CD2 TYR A 8 4.811 13.599 -21.875 1.00 41.24 C ATOM 113 CE1 TYR A 8 5.269 14.583 -19.339 1.00 23.23 C ATOM 114 CE2 TYR A 8 5.678 14.660 -21.695 1.00 71.54 C ATOM 115 CZ TYR A 8 5.904 15.148 -20.425 1.00 74.13 C ATOM 116 OH TYR A 8 6.765 16.205 -20.242 1.00 23.01 O ATOM 0 H TYR A 8 1.329 10.047 -20.182 1.00 41.12 H new ATOM 0 HA TYR A 8 1.880 12.917 -19.694 1.00 52.23 H new ATOM 0 HB2 TYR A 8 3.656 10.953 -20.566 1.00 73.41 H new ATOM 0 HB3 TYR A 8 3.100 11.667 -22.067 1.00 73.41 H new ATOM 0 HD1 TYR A 8 3.911 13.081 -18.675 1.00 22.30 H new ATOM 0 HD2 TYR A 8 4.636 13.220 -22.871 1.00 41.24 H new ATOM 0 HE1 TYR A 8 5.446 14.968 -18.346 1.00 23.23 H new ATOM 0 HE2 TYR A 8 6.176 15.105 -22.544 1.00 71.54 H new ATOM 0 HH TYR A 8 7.129 16.484 -21.108 1.00 23.01 H new ATOM 126 N TYR A 9 0.511 13.681 -21.626 1.00 12.12 N ATOM 127 CA TYR A 9 -0.444 14.125 -22.634 1.00 43.35 C ATOM 128 C TYR A 9 0.148 15.240 -23.491 1.00 65.05 C ATOM 129 O TYR A 9 1.267 15.695 -23.252 1.00 22.21 O ATOM 130 CB TYR A 9 -1.733 14.609 -21.969 1.00 11.13 C ATOM 131 CG TYR A 9 -2.449 13.534 -21.184 1.00 35.45 C ATOM 132 CD1 TYR A 9 -3.259 12.602 -21.822 1.00 2.22 C ATOM 133 CD2 TYR A 9 -2.316 13.449 -19.803 1.00 61.40 C ATOM 134 CE1 TYR A 9 -3.916 11.619 -21.108 1.00 63.42 C ATOM 135 CE2 TYR A 9 -2.968 12.467 -19.081 1.00 41.44 C ATOM 136 CZ TYR A 9 -3.767 11.555 -19.738 1.00 40.14 C ATOM 137 OH TYR A 9 -4.419 10.576 -19.024 1.00 65.12 O ATOM 0 H TYR A 9 0.908 14.432 -21.061 1.00 12.12 H new ATOM 0 HA TYR A 9 -0.673 13.277 -23.279 1.00 43.35 H new ATOM 0 HB2 TYR A 9 -1.499 15.439 -21.302 1.00 11.13 H new ATOM 0 HB3 TYR A 9 -2.404 14.996 -22.736 1.00 11.13 H new ATOM 0 HD1 TYR A 9 -3.377 12.647 -22.895 1.00 2.22 H new ATOM 0 HD2 TYR A 9 -1.692 14.163 -19.285 1.00 61.40 H new ATOM 0 HE1 TYR A 9 -4.543 10.904 -21.620 1.00 63.42 H new ATOM 0 HE2 TYR A 9 -2.852 12.414 -18.009 1.00 41.44 H new ATOM 0 HH TYR A 9 -4.207 10.670 -18.072 1.00 65.12 H new ATOM 147 N ASP A 10 -0.611 15.675 -24.491 1.00 4.52 N ATOM 148 CA ASP A 10 -0.163 16.738 -25.384 1.00 15.23 C ATOM 149 C ASP A 10 -1.145 17.906 -25.373 1.00 1.13 C ATOM 150 O ASP A 10 -2.334 17.728 -25.114 1.00 54.12 O ATOM 151 CB ASP A 10 -0.004 16.203 -26.808 1.00 3.52 C ATOM 152 CG ASP A 10 1.203 16.789 -27.514 1.00 25.41 C ATOM 153 OD1 ASP A 10 2.300 16.202 -27.399 1.00 34.20 O ATOM 154 OD2 ASP A 10 1.052 17.834 -28.181 1.00 24.13 O ATOM 0 H ASP A 10 -1.539 15.308 -24.704 1.00 4.52 H new ATOM 0 HA ASP A 10 0.803 17.095 -25.028 1.00 15.23 H new ATOM 0 HB2 ASP A 10 0.088 15.117 -26.777 1.00 3.52 H new ATOM 0 HB3 ASP A 10 -0.903 16.431 -27.381 1.00 3.52 H new ATOM 159 N GLY A 11 -0.637 19.102 -25.654 1.00 41.23 N ATOM 160 CA GLY A 11 -1.482 20.282 -25.670 1.00 60.12 C ATOM 161 C GLY A 11 -2.712 20.103 -26.538 1.00 63.41 C ATOM 162 O GLY A 11 -2.629 20.166 -27.765 1.00 52.22 O ATOM 0 H GLY A 11 0.345 19.275 -25.871 1.00 41.23 H new ATOM 0 HA2 GLY A 11 -1.791 20.518 -24.652 1.00 60.12 H new ATOM 0 HA3 GLY A 11 -0.906 21.133 -26.033 1.00 60.12 H new ATOM 166 N HIS A 12 -3.856 19.876 -25.901 1.00 11.12 N ATOM 167 CA HIS A 12 -5.109 19.686 -26.623 1.00 62.44 C ATOM 168 C HIS A 12 -6.291 19.649 -25.660 1.00 74.21 C ATOM 169 O HIS A 12 -6.279 18.912 -24.673 1.00 41.00 O ATOM 170 CB HIS A 12 -5.060 18.393 -27.439 1.00 51.41 C ATOM 171 CG HIS A 12 -4.802 18.615 -28.898 1.00 3.24 C ATOM 172 ND1 HIS A 12 -5.696 19.253 -29.732 1.00 24.31 N ATOM 173 CD2 HIS A 12 -3.741 18.282 -29.670 1.00 31.44 C ATOM 174 CE1 HIS A 12 -5.197 19.300 -30.954 1.00 43.12 C ATOM 175 NE2 HIS A 12 -4.011 18.718 -30.943 1.00 52.03 N ATOM 0 H HIS A 12 -3.941 19.819 -24.886 1.00 11.12 H new ATOM 0 HA HIS A 12 -5.241 20.530 -27.300 1.00 62.44 H new ATOM 0 HB2 HIS A 12 -4.281 17.747 -27.035 1.00 51.41 H new ATOM 0 HB3 HIS A 12 -6.005 17.863 -27.322 1.00 51.41 H new ATOM 0 HD2 HIS A 12 -2.848 17.769 -29.345 1.00 31.44 H new ATOM 0 HE1 HIS A 12 -5.677 19.740 -31.816 1.00 43.12 H new ATOM 0 HE2 HIS A 12 -3.396 18.610 -31.750 1.00 52.03 H new ATOM 183 N LEU A 13 -7.311 20.448 -25.952 1.00 52.33 N ATOM 184 CA LEU A 13 -8.502 20.508 -25.112 1.00 21.03 C ATOM 185 C LEU A 13 -9.048 19.110 -24.841 1.00 70.30 C ATOM 186 O LEU A 13 -8.745 18.150 -25.550 1.00 41.14 O ATOM 187 CB LEU A 13 -9.578 21.368 -25.777 1.00 63.14 C ATOM 188 CG LEU A 13 -9.744 22.783 -25.222 1.00 74.04 C ATOM 189 CD1 LEU A 13 -8.409 23.510 -25.203 1.00 64.33 C ATOM 190 CD2 LEU A 13 -10.765 23.560 -26.041 1.00 42.21 C ATOM 0 H LEU A 13 -7.337 21.064 -26.765 1.00 52.33 H new ATOM 0 HA LEU A 13 -8.222 20.960 -24.160 1.00 21.03 H new ATOM 0 HB2 LEU A 13 -9.351 21.441 -26.841 1.00 63.14 H new ATOM 0 HB3 LEU A 13 -10.533 20.851 -25.690 1.00 63.14 H new ATOM 0 HG LEU A 13 -10.108 22.710 -24.197 1.00 74.04 H new ATOM 0 HD11 LEU A 13 -8.548 24.515 -24.805 1.00 64.33 H new ATOM 0 HD12 LEU A 13 -7.706 22.964 -24.573 1.00 64.33 H new ATOM 0 HD13 LEU A 13 -8.014 23.573 -26.217 1.00 64.33 H new ATOM 0 HD21 LEU A 13 -10.871 24.565 -25.632 1.00 42.21 H new ATOM 0 HD22 LEU A 13 -10.429 23.623 -27.076 1.00 42.21 H new ATOM 0 HD23 LEU A 13 -11.727 23.049 -26.002 1.00 42.21 H new ATOM 202 N PRO A 14 -9.875 18.990 -23.792 1.00 23.14 N ATOM 203 CA PRO A 14 -10.483 17.713 -23.405 1.00 10.52 C ATOM 204 C PRO A 14 -11.530 17.243 -24.408 1.00 72.42 C ATOM 205 O PRO A 14 -12.024 16.119 -24.323 1.00 31.21 O ATOM 206 CB PRO A 14 -11.137 18.026 -22.057 1.00 1.34 C ATOM 207 CG PRO A 14 -11.397 19.493 -22.093 1.00 22.22 C ATOM 208 CD PRO A 14 -10.280 20.091 -22.902 1.00 43.42 C ATOM 0 HA PRO A 14 -9.749 16.908 -23.362 1.00 10.52 H new ATOM 0 HB2 PRO A 14 -12.061 17.463 -21.925 1.00 1.34 H new ATOM 0 HB3 PRO A 14 -10.481 17.760 -21.228 1.00 1.34 H new ATOM 0 HG2 PRO A 14 -12.365 19.707 -22.546 1.00 22.22 H new ATOM 0 HG3 PRO A 14 -11.417 19.911 -21.086 1.00 22.22 H new ATOM 0 HD2 PRO A 14 -10.614 20.962 -23.466 1.00 43.42 H new ATOM 0 HD3 PRO A 14 -9.456 20.419 -22.268 1.00 43.42 H new ATOM 216 N ALA A 15 -11.864 18.109 -25.359 1.00 10.42 N ATOM 217 CA ALA A 15 -12.851 17.781 -26.380 1.00 62.30 C ATOM 218 C ALA A 15 -12.285 16.790 -27.392 1.00 3.03 C ATOM 219 O ALA A 15 -12.990 15.899 -27.866 1.00 30.20 O ATOM 220 CB ALA A 15 -13.323 19.044 -27.083 1.00 53.45 C ATOM 0 H ALA A 15 -11.465 19.044 -25.444 1.00 10.42 H new ATOM 0 HA ALA A 15 -13.703 17.312 -25.889 1.00 62.30 H new ATOM 0 HB1 ALA A 15 -14.060 18.784 -27.843 1.00 53.45 H new ATOM 0 HB2 ALA A 15 -13.775 19.718 -26.355 1.00 53.45 H new ATOM 0 HB3 ALA A 15 -12.473 19.537 -27.555 1.00 53.45 H new ATOM 226 N THR A 16 -11.006 16.951 -27.720 1.00 14.34 N ATOM 227 CA THR A 16 -10.346 16.072 -28.677 1.00 11.45 C ATOM 228 C THR A 16 -8.940 15.711 -28.211 1.00 72.54 C ATOM 229 O THR A 16 -8.061 15.428 -29.025 1.00 64.20 O ATOM 230 CB THR A 16 -10.262 16.722 -30.071 1.00 30.03 C ATOM 231 OG1 THR A 16 -11.276 17.724 -30.206 1.00 44.41 O ATOM 232 CG2 THR A 16 -10.425 15.678 -31.165 1.00 20.21 C ATOM 0 H THR A 16 -10.407 17.682 -27.337 1.00 14.34 H new ATOM 0 HA THR A 16 -10.948 15.166 -28.743 1.00 11.45 H new ATOM 0 HB THR A 16 -9.280 17.183 -30.174 1.00 30.03 H new ATOM 0 HG1 THR A 16 -11.215 18.134 -31.094 1.00 44.41 H new ATOM 0 HG21 THR A 16 -10.362 16.160 -32.140 1.00 20.21 H new ATOM 0 HG22 THR A 16 -9.635 14.933 -31.077 1.00 20.21 H new ATOM 0 HG23 THR A 16 -11.395 15.192 -31.062 1.00 20.21 H new ATOM 240 N ARG A 17 -8.735 15.721 -26.898 1.00 75.43 N ATOM 241 CA ARG A 17 -7.435 15.394 -26.325 1.00 74.43 C ATOM 242 C ARG A 17 -6.924 14.061 -26.864 1.00 25.22 C ATOM 243 O ARG A 17 -7.689 13.262 -27.404 1.00 50.55 O ATOM 244 CB ARG A 17 -7.526 15.338 -24.799 1.00 52.22 C ATOM 245 CG ARG A 17 -8.236 14.100 -24.276 1.00 3.01 C ATOM 246 CD ARG A 17 -9.100 14.422 -23.067 1.00 51.41 C ATOM 247 NE ARG A 17 -9.295 13.258 -22.207 1.00 70.04 N ATOM 248 CZ ARG A 17 -10.028 12.205 -22.551 1.00 71.04 C ATOM 249 NH1 ARG A 17 -10.632 12.170 -23.731 1.00 42.33 N ATOM 250 NH2 ARG A 17 -10.158 11.183 -21.715 1.00 1.55 N ATOM 0 H ARG A 17 -9.453 15.952 -26.211 1.00 75.43 H new ATOM 0 HA ARG A 17 -6.732 16.176 -26.612 1.00 74.43 H new ATOM 0 HB2 ARG A 17 -6.520 15.373 -24.382 1.00 52.22 H new ATOM 0 HB3 ARG A 17 -8.050 16.225 -24.442 1.00 52.22 H new ATOM 0 HG2 ARG A 17 -8.856 13.675 -25.065 1.00 3.01 H new ATOM 0 HG3 ARG A 17 -7.499 13.343 -24.007 1.00 3.01 H new ATOM 0 HD2 ARG A 17 -8.635 15.223 -22.492 1.00 51.41 H new ATOM 0 HD3 ARG A 17 -10.069 14.791 -23.402 1.00 51.41 H new ATOM 0 HE ARG A 17 -8.844 13.253 -21.292 1.00 70.04 H new ATOM 0 HH11 ARG A 17 -10.534 12.953 -24.377 1.00 42.33 H new ATOM 0 HH12 ARG A 17 -11.194 11.360 -23.992 1.00 42.33 H new ATOM 0 HH21 ARG A 17 -9.695 11.205 -20.807 1.00 1.55 H new ATOM 0 HH22 ARG A 17 -10.721 10.375 -21.981 1.00 1.55 H new ATOM 264 N VAL A 18 -5.624 13.827 -26.713 1.00 3.23 N ATOM 265 CA VAL A 18 -5.009 12.591 -27.183 1.00 53.50 C ATOM 266 C VAL A 18 -3.902 12.135 -26.240 1.00 30.31 C ATOM 267 O VAL A 18 -2.938 12.862 -25.997 1.00 52.45 O ATOM 268 CB VAL A 18 -4.426 12.758 -28.599 1.00 33.01 C ATOM 269 CG1 VAL A 18 -3.854 11.440 -29.099 1.00 40.53 C ATOM 270 CG2 VAL A 18 -5.488 13.284 -29.553 1.00 43.31 C ATOM 0 H VAL A 18 -4.976 14.478 -26.269 1.00 3.23 H new ATOM 0 HA VAL A 18 -5.795 11.836 -27.208 1.00 53.50 H new ATOM 0 HB VAL A 18 -3.616 13.486 -28.557 1.00 33.01 H new ATOM 0 HG11 VAL A 18 -3.447 11.577 -30.101 1.00 40.53 H new ATOM 0 HG12 VAL A 18 -3.062 11.109 -28.427 1.00 40.53 H new ATOM 0 HG13 VAL A 18 -4.643 10.689 -29.128 1.00 40.53 H new ATOM 0 HG21 VAL A 18 -5.059 13.396 -30.549 1.00 43.31 H new ATOM 0 HG22 VAL A 18 -6.321 12.582 -29.593 1.00 43.31 H new ATOM 0 HG23 VAL A 18 -5.846 14.252 -29.201 1.00 43.31 H new ATOM 280 N LEU A 19 -4.045 10.925 -25.710 1.00 75.13 N ATOM 281 CA LEU A 19 -3.057 10.369 -24.793 1.00 4.11 C ATOM 282 C LEU A 19 -1.781 9.984 -25.535 1.00 72.44 C ATOM 283 O LEU A 19 -1.832 9.372 -26.603 1.00 55.14 O ATOM 284 CB LEU A 19 -3.630 9.148 -24.073 1.00 31.54 C ATOM 285 CG LEU A 19 -2.782 8.580 -22.934 1.00 1.32 C ATOM 286 CD1 LEU A 19 -3.670 8.049 -21.820 1.00 34.11 C ATOM 287 CD2 LEU A 19 -1.859 7.486 -23.450 1.00 42.22 C ATOM 0 H LEU A 19 -4.836 10.310 -25.900 1.00 75.13 H new ATOM 0 HA LEU A 19 -2.810 11.134 -24.057 1.00 4.11 H new ATOM 0 HB2 LEU A 19 -4.609 9.413 -23.673 1.00 31.54 H new ATOM 0 HB3 LEU A 19 -3.789 8.359 -24.808 1.00 31.54 H new ATOM 0 HG LEU A 19 -2.168 9.384 -22.529 1.00 1.32 H new ATOM 0 HD11 LEU A 19 -3.049 7.649 -21.019 1.00 34.11 H new ATOM 0 HD12 LEU A 19 -4.288 8.858 -21.431 1.00 34.11 H new ATOM 0 HD13 LEU A 19 -4.311 7.259 -22.211 1.00 34.11 H new ATOM 0 HD21 LEU A 19 -1.263 7.094 -22.626 1.00 42.22 H new ATOM 0 HD22 LEU A 19 -2.454 6.682 -23.883 1.00 42.22 H new ATOM 0 HD23 LEU A 19 -1.197 7.898 -24.212 1.00 42.22 H new ATOM 299 N LEU A 20 -0.638 10.343 -24.962 1.00 61.23 N ATOM 300 CA LEU A 20 0.652 10.033 -25.568 1.00 63.54 C ATOM 301 C LEU A 20 1.065 8.596 -25.265 1.00 23.05 C ATOM 302 O LEU A 20 1.188 7.771 -26.169 1.00 70.40 O ATOM 303 CB LEU A 20 1.722 11.001 -25.061 1.00 63.02 C ATOM 304 CG LEU A 20 1.502 12.478 -25.392 1.00 31.44 C ATOM 305 CD1 LEU A 20 2.404 13.356 -24.539 1.00 22.23 C ATOM 306 CD2 LEU A 20 1.747 12.735 -26.871 1.00 45.51 C ATOM 0 H LEU A 20 -0.578 10.849 -24.078 1.00 61.23 H new ATOM 0 HA LEU A 20 0.554 10.143 -26.648 1.00 63.54 H new ATOM 0 HB2 LEU A 20 1.792 10.899 -23.978 1.00 63.02 H new ATOM 0 HB3 LEU A 20 2.684 10.696 -25.473 1.00 63.02 H new ATOM 0 HG LEU A 20 0.466 12.731 -25.167 1.00 31.44 H new ATOM 0 HD11 LEU A 20 2.234 14.403 -24.788 1.00 22.23 H new ATOM 0 HD12 LEU A 20 2.179 13.193 -23.485 1.00 22.23 H new ATOM 0 HD13 LEU A 20 3.446 13.102 -24.731 1.00 22.23 H new ATOM 0 HD21 LEU A 20 1.586 13.791 -27.088 1.00 45.51 H new ATOM 0 HD22 LEU A 20 2.773 12.465 -27.122 1.00 45.51 H new ATOM 0 HD23 LEU A 20 1.058 12.133 -27.464 1.00 45.51 H new ATOM 318 N MET A 21 1.276 8.304 -23.985 1.00 43.42 N ATOM 319 CA MET A 21 1.672 6.966 -23.562 1.00 10.10 C ATOM 320 C MET A 21 1.828 6.899 -22.046 1.00 55.10 C ATOM 321 O MET A 21 2.043 7.918 -21.389 1.00 32.21 O ATOM 322 CB MET A 21 2.982 6.561 -24.239 1.00 65.52 C ATOM 323 CG MET A 21 2.814 5.470 -25.284 1.00 62.34 C ATOM 324 SD MET A 21 3.979 4.111 -25.064 1.00 41.24 S ATOM 325 CE MET A 21 2.902 2.700 -25.302 1.00 20.13 C ATOM 0 H MET A 21 1.179 8.976 -23.224 1.00 43.42 H new ATOM 0 HA MET A 21 0.887 6.271 -23.860 1.00 10.10 H new ATOM 0 HB2 MET A 21 3.425 7.439 -24.710 1.00 65.52 H new ATOM 0 HB3 MET A 21 3.684 6.219 -23.478 1.00 65.52 H new ATOM 0 HG2 MET A 21 1.796 5.082 -25.238 1.00 62.34 H new ATOM 0 HG3 MET A 21 2.947 5.900 -26.277 1.00 62.34 H new ATOM 0 HE1 MET A 21 3.478 1.781 -25.196 1.00 20.13 H new ATOM 0 HE2 MET A 21 2.108 2.718 -24.556 1.00 20.13 H new ATOM 0 HE3 MET A 21 2.464 2.741 -26.299 1.00 20.13 H new ATOM 335 N TYR A 22 1.717 5.695 -21.497 1.00 71.53 N ATOM 336 CA TYR A 22 1.843 5.496 -20.058 1.00 75.33 C ATOM 337 C TYR A 22 3.305 5.328 -19.657 1.00 51.51 C ATOM 338 O TYR A 22 4.090 4.705 -20.372 1.00 12.11 O ATOM 339 CB TYR A 22 1.038 4.271 -19.619 1.00 64.34 C ATOM 340 CG TYR A 22 -0.455 4.504 -19.594 1.00 12.33 C ATOM 341 CD1 TYR A 22 -1.228 4.311 -20.732 1.00 13.42 C ATOM 342 CD2 TYR A 22 -1.093 4.917 -18.430 1.00 55.14 C ATOM 343 CE1 TYR A 22 -2.593 4.524 -20.713 1.00 11.52 C ATOM 344 CE2 TYR A 22 -2.458 5.131 -18.402 1.00 10.12 C ATOM 345 CZ TYR A 22 -3.203 4.934 -19.546 1.00 33.04 C ATOM 346 OH TYR A 22 -4.563 5.146 -19.522 1.00 63.12 O ATOM 0 H TYR A 22 1.540 4.842 -22.027 1.00 71.53 H new ATOM 0 HA TYR A 22 1.448 6.381 -19.559 1.00 75.33 H new ATOM 0 HB2 TYR A 22 1.257 3.443 -20.293 1.00 64.34 H new ATOM 0 HB3 TYR A 22 1.367 3.968 -18.625 1.00 64.34 H new ATOM 0 HD1 TYR A 22 -0.754 3.989 -21.647 1.00 13.42 H new ATOM 0 HD2 TYR A 22 -0.512 5.073 -17.533 1.00 55.14 H new ATOM 0 HE1 TYR A 22 -3.179 4.370 -21.607 1.00 11.52 H new ATOM 0 HE2 TYR A 22 -2.939 5.451 -17.489 1.00 10.12 H new ATOM 0 HH TYR A 22 -4.834 5.430 -18.624 1.00 63.12 H new ATOM 356 N VAL A 23 3.664 5.890 -18.507 1.00 21.00 N ATOM 357 CA VAL A 23 5.031 5.803 -18.008 1.00 22.33 C ATOM 358 C VAL A 23 5.083 5.066 -16.674 1.00 62.52 C ATOM 359 O VAL A 23 4.350 5.396 -15.742 1.00 22.31 O ATOM 360 CB VAL A 23 5.656 7.200 -17.834 1.00 74.11 C ATOM 361 CG1 VAL A 23 7.135 7.086 -17.499 1.00 50.02 C ATOM 362 CG2 VAL A 23 5.447 8.036 -19.088 1.00 22.30 C ATOM 0 H VAL A 23 3.027 6.410 -17.904 1.00 21.00 H new ATOM 0 HA VAL A 23 5.604 5.247 -18.750 1.00 22.33 H new ATOM 0 HB VAL A 23 5.159 7.701 -17.004 1.00 74.11 H new ATOM 0 HG11 VAL A 23 7.559 8.083 -17.380 1.00 50.02 H new ATOM 0 HG12 VAL A 23 7.256 6.527 -16.571 1.00 50.02 H new ATOM 0 HG13 VAL A 23 7.652 6.566 -18.306 1.00 50.02 H new ATOM 0 HG21 VAL A 23 5.895 9.020 -18.948 1.00 22.30 H new ATOM 0 HG22 VAL A 23 5.917 7.541 -19.938 1.00 22.30 H new ATOM 0 HG23 VAL A 23 4.379 8.147 -19.278 1.00 22.30 H new ATOM 372 N ARG A 24 5.955 4.066 -16.591 1.00 31.23 N ATOM 373 CA ARG A 24 6.102 3.281 -15.371 1.00 64.31 C ATOM 374 C ARG A 24 7.229 3.833 -14.502 1.00 35.10 C ATOM 375 O ARG A 24 8.261 4.271 -15.011 1.00 32.30 O ATOM 376 CB ARG A 24 6.379 1.815 -15.713 1.00 1.53 C ATOM 377 CG ARG A 24 5.483 1.266 -16.811 1.00 1.50 C ATOM 378 CD ARG A 24 6.099 1.471 -18.186 1.00 73.04 C ATOM 379 NE ARG A 24 5.758 0.388 -19.105 1.00 54.22 N ATOM 380 CZ ARG A 24 6.154 0.348 -20.372 1.00 73.35 C ATOM 381 NH1 ARG A 24 6.901 1.324 -20.869 1.00 0.05 N ATOM 382 NH2 ARG A 24 5.803 -0.671 -21.146 1.00 75.52 N ATOM 0 H ARG A 24 6.570 3.781 -17.353 1.00 31.23 H new ATOM 0 HA ARG A 24 5.169 3.347 -14.811 1.00 64.31 H new ATOM 0 HB2 ARG A 24 7.420 1.713 -16.020 1.00 1.53 H new ATOM 0 HB3 ARG A 24 6.251 1.211 -14.815 1.00 1.53 H new ATOM 0 HG2 ARG A 24 5.310 0.203 -16.643 1.00 1.50 H new ATOM 0 HG3 ARG A 24 4.511 1.758 -16.769 1.00 1.50 H new ATOM 0 HD2 ARG A 24 5.755 2.419 -18.600 1.00 73.04 H new ATOM 0 HD3 ARG A 24 7.183 1.539 -18.091 1.00 73.04 H new ATOM 0 HE ARG A 24 5.185 -0.379 -18.755 1.00 54.22 H new ATOM 0 HH11 ARG A 24 7.174 2.109 -20.278 1.00 0.05 H new ATOM 0 HH12 ARG A 24 7.203 1.290 -21.843 1.00 0.05 H new ATOM 0 HH21 ARG A 24 5.229 -1.424 -20.768 1.00 75.52 H new ATOM 0 HH22 ARG A 24 6.108 -0.701 -22.119 1.00 75.52 H new ATOM 396 N ILE A 25 7.022 3.809 -13.190 1.00 11.33 N ATOM 397 CA ILE A 25 8.020 4.307 -12.251 1.00 34.23 C ATOM 398 C ILE A 25 9.052 3.233 -11.925 1.00 61.24 C ATOM 399 O ILE A 25 9.293 2.921 -10.760 1.00 11.01 O ATOM 400 CB ILE A 25 7.369 4.791 -10.941 1.00 73.45 C ATOM 401 CG1 ILE A 25 6.135 5.643 -11.244 1.00 52.25 C ATOM 402 CG2 ILE A 25 8.372 5.577 -10.110 1.00 75.04 C ATOM 403 CD1 ILE A 25 6.439 6.876 -12.066 1.00 4.43 C ATOM 0 H ILE A 25 6.173 3.450 -12.753 1.00 11.33 H new ATOM 0 HA ILE A 25 8.515 5.149 -12.734 1.00 34.23 H new ATOM 0 HB ILE A 25 7.054 3.921 -10.366 1.00 73.45 H new ATOM 0 HG12 ILE A 25 5.404 5.033 -11.775 1.00 52.25 H new ATOM 0 HG13 ILE A 25 5.674 5.947 -10.304 1.00 52.25 H new ATOM 0 HG21 ILE A 25 7.897 5.912 -9.188 1.00 75.04 H new ATOM 0 HG22 ILE A 25 9.223 4.940 -9.869 1.00 75.04 H new ATOM 0 HG23 ILE A 25 8.715 6.443 -10.677 1.00 75.04 H new ATOM 0 HD11 ILE A 25 5.518 7.432 -12.242 1.00 4.43 H new ATOM 0 HD12 ILE A 25 7.146 7.507 -11.528 1.00 4.43 H new ATOM 0 HD13 ILE A 25 6.872 6.579 -13.021 1.00 4.43 H new ATOM 415 N GLY A 26 9.661 2.671 -12.965 1.00 64.21 N ATOM 416 CA GLY A 26 10.663 1.639 -12.769 1.00 73.31 C ATOM 417 C GLY A 26 11.967 1.955 -13.475 1.00 34.54 C ATOM 418 O GLY A 26 13.043 1.588 -13.001 1.00 72.44 O ATOM 0 H GLY A 26 9.479 2.912 -13.939 1.00 64.21 H new ATOM 0 HA2 GLY A 26 10.851 1.518 -11.702 1.00 73.31 H new ATOM 0 HA3 GLY A 26 10.277 0.688 -13.135 1.00 73.31 H new ATOM 422 N THR A 27 11.872 2.636 -14.612 1.00 43.41 N ATOM 423 CA THR A 27 13.053 2.999 -15.386 1.00 31.11 C ATOM 424 C THR A 27 12.843 4.316 -16.125 1.00 30.33 C ATOM 425 O THR A 27 11.746 4.876 -16.117 1.00 45.35 O ATOM 426 CB THR A 27 13.414 1.903 -16.406 1.00 63.11 C ATOM 427 OG1 THR A 27 14.689 2.183 -16.996 1.00 12.44 O ATOM 428 CG2 THR A 27 12.356 1.807 -17.495 1.00 3.10 C ATOM 0 H THR A 27 10.990 2.948 -15.018 1.00 43.41 H new ATOM 0 HA THR A 27 13.874 3.110 -14.677 1.00 31.11 H new ATOM 0 HB THR A 27 13.459 0.949 -15.880 1.00 63.11 H new ATOM 0 HG1 THR A 27 14.912 1.481 -17.642 1.00 12.44 H new ATOM 0 HG21 THR A 27 12.633 1.026 -18.203 1.00 3.10 H new ATOM 0 HG22 THR A 27 11.393 1.565 -17.046 1.00 3.10 H new ATOM 0 HG23 THR A 27 12.283 2.761 -18.017 1.00 3.10 H new ATOM 436 N THR A 28 13.901 4.806 -16.764 1.00 31.24 N ATOM 437 CA THR A 28 13.832 6.057 -17.507 1.00 45.33 C ATOM 438 C THR A 28 13.596 5.803 -18.992 1.00 20.35 C ATOM 439 O THR A 28 14.349 5.071 -19.633 1.00 63.01 O ATOM 440 CB THR A 28 15.122 6.882 -17.339 1.00 3.23 C ATOM 441 OG1 THR A 28 16.259 6.012 -17.306 1.00 3.41 O ATOM 442 CG2 THR A 28 15.073 7.709 -16.063 1.00 10.03 C ATOM 0 H THR A 28 14.816 4.355 -16.781 1.00 31.24 H new ATOM 0 HA THR A 28 12.993 6.620 -17.099 1.00 45.33 H new ATOM 0 HB THR A 28 15.207 7.559 -18.189 1.00 3.23 H new ATOM 0 HG1 THR A 28 17.075 6.544 -17.201 1.00 3.41 H new ATOM 0 HG21 THR A 28 15.995 8.283 -15.966 1.00 10.03 H new ATOM 0 HG22 THR A 28 14.223 8.391 -16.104 1.00 10.03 H new ATOM 0 HG23 THR A 28 14.966 7.047 -15.204 1.00 10.03 H new ATOM 450 N ALA A 29 12.545 6.412 -19.532 1.00 25.33 N ATOM 451 CA ALA A 29 12.212 6.253 -20.942 1.00 32.34 C ATOM 452 C ALA A 29 11.989 7.606 -21.609 1.00 20.40 C ATOM 453 O ALA A 29 11.995 8.645 -20.948 1.00 32.30 O ATOM 454 CB ALA A 29 10.978 5.376 -21.096 1.00 51.14 C ATOM 0 H ALA A 29 11.910 7.020 -19.014 1.00 25.33 H new ATOM 0 HA ALA A 29 13.053 5.768 -21.437 1.00 32.34 H new ATOM 0 HB1 ALA A 29 10.740 5.265 -22.154 1.00 51.14 H new ATOM 0 HB2 ALA A 29 11.173 4.395 -20.663 1.00 51.14 H new ATOM 0 HB3 ALA A 29 10.136 5.839 -20.581 1.00 51.14 H new ATOM 460 N THR A 30 11.793 7.587 -22.924 1.00 22.22 N ATOM 461 CA THR A 30 11.570 8.812 -23.681 1.00 64.00 C ATOM 462 C THR A 30 10.353 8.684 -24.589 1.00 34.51 C ATOM 463 O THR A 30 10.211 7.701 -25.317 1.00 70.04 O ATOM 464 CB THR A 30 12.799 9.175 -24.537 1.00 33.41 C ATOM 465 OG1 THR A 30 13.967 9.246 -23.712 1.00 31.10 O ATOM 466 CG2 THR A 30 12.591 10.504 -25.246 1.00 54.22 C ATOM 0 H THR A 30 11.784 6.736 -23.487 1.00 22.22 H new ATOM 0 HA THR A 30 11.395 9.605 -22.954 1.00 64.00 H new ATOM 0 HB THR A 30 12.933 8.397 -25.289 1.00 33.41 H new ATOM 0 HG1 THR A 30 14.744 9.475 -24.264 1.00 31.10 H new ATOM 0 HG21 THR A 30 13.472 10.739 -25.844 1.00 54.22 H new ATOM 0 HG22 THR A 30 11.718 10.437 -25.896 1.00 54.22 H new ATOM 0 HG23 THR A 30 12.434 11.290 -24.507 1.00 54.22 H new ATOM 474 N ILE A 31 9.477 9.682 -24.541 1.00 33.53 N ATOM 475 CA ILE A 31 8.272 9.680 -25.361 1.00 32.11 C ATOM 476 C ILE A 31 8.490 10.449 -26.659 1.00 53.05 C ATOM 477 O ILE A 31 9.211 11.447 -26.690 1.00 71.23 O ATOM 478 CB ILE A 31 7.077 10.295 -24.608 1.00 23.54 C ATOM 479 CG1 ILE A 31 6.842 9.554 -23.290 1.00 32.04 C ATOM 480 CG2 ILE A 31 5.828 10.255 -25.474 1.00 75.13 C ATOM 481 CD1 ILE A 31 6.875 10.456 -22.076 1.00 31.24 C ATOM 0 H ILE A 31 9.579 10.502 -23.943 1.00 33.53 H new ATOM 0 HA ILE A 31 8.049 8.638 -25.591 1.00 32.11 H new ATOM 0 HB ILE A 31 7.305 11.337 -24.382 1.00 23.54 H new ATOM 0 HG12 ILE A 31 5.876 9.051 -23.333 1.00 32.04 H new ATOM 0 HG13 ILE A 31 7.600 8.779 -23.178 1.00 32.04 H new ATOM 0 HG21 ILE A 31 4.992 10.693 -24.928 1.00 75.13 H new ATOM 0 HG22 ILE A 31 6.001 10.822 -26.389 1.00 75.13 H new ATOM 0 HG23 ILE A 31 5.594 9.221 -25.727 1.00 75.13 H new ATOM 0 HD11 ILE A 31 6.701 9.864 -21.178 1.00 31.24 H new ATOM 0 HD12 ILE A 31 7.849 10.940 -22.009 1.00 31.24 H new ATOM 0 HD13 ILE A 31 6.098 11.215 -22.166 1.00 31.24 H new ATOM 493 N THR A 32 7.860 9.979 -27.732 1.00 12.40 N ATOM 494 CA THR A 32 7.984 10.623 -29.034 1.00 33.41 C ATOM 495 C THR A 32 6.645 11.182 -29.500 1.00 54.23 C ATOM 496 O THR A 32 5.698 10.434 -29.739 1.00 35.54 O ATOM 497 CB THR A 32 8.516 9.642 -30.096 1.00 53.54 C ATOM 498 OG1 THR A 32 9.203 8.558 -29.462 1.00 42.32 O ATOM 499 CG2 THR A 32 9.454 10.349 -31.063 1.00 4.14 C ATOM 0 H THR A 32 7.259 9.155 -27.725 1.00 12.40 H new ATOM 0 HA THR A 32 8.695 11.441 -28.917 1.00 33.41 H new ATOM 0 HB THR A 32 7.667 9.253 -30.658 1.00 53.54 H new ATOM 0 HG1 THR A 32 9.536 7.938 -30.144 1.00 42.32 H new ATOM 0 HG21 THR A 32 9.817 9.637 -31.804 1.00 4.14 H new ATOM 0 HG22 THR A 32 8.919 11.154 -31.566 1.00 4.14 H new ATOM 0 HG23 THR A 32 10.299 10.763 -30.513 1.00 4.14 H new ATOM 507 N ALA A 33 6.573 12.503 -29.629 1.00 41.01 N ATOM 508 CA ALA A 33 5.350 13.162 -30.070 1.00 3.50 C ATOM 509 C ALA A 33 5.664 14.423 -30.869 1.00 73.33 C ATOM 510 O ALA A 33 6.676 15.083 -30.634 1.00 61.51 O ATOM 511 CB ALA A 33 4.471 13.498 -28.874 1.00 43.53 C ATOM 0 H ALA A 33 7.347 13.138 -29.434 1.00 41.01 H new ATOM 0 HA ALA A 33 4.811 12.475 -30.722 1.00 3.50 H new ATOM 0 HB1 ALA A 33 3.561 13.990 -29.218 1.00 43.53 H new ATOM 0 HB2 ALA A 33 4.210 12.581 -28.345 1.00 43.53 H new ATOM 0 HB3 ALA A 33 5.011 14.164 -28.201 1.00 43.53 H new ATOM 517 N ARG A 34 4.789 14.751 -31.815 1.00 65.41 N ATOM 518 CA ARG A 34 4.975 15.931 -32.651 1.00 14.05 C ATOM 519 C ARG A 34 6.363 15.937 -33.283 1.00 4.34 C ATOM 520 O ARG A 34 7.021 16.975 -33.350 1.00 23.31 O ATOM 521 CB ARG A 34 4.772 17.203 -31.825 1.00 45.01 C ATOM 522 CG ARG A 34 3.312 17.557 -31.600 1.00 14.13 C ATOM 523 CD ARG A 34 3.106 19.063 -31.539 1.00 23.30 C ATOM 524 NE ARG A 34 2.473 19.578 -32.750 1.00 34.13 N ATOM 525 CZ ARG A 34 1.959 20.799 -32.848 1.00 5.21 C ATOM 526 NH1 ARG A 34 2.005 21.626 -31.813 1.00 5.33 N ATOM 527 NH2 ARG A 34 1.399 21.195 -33.984 1.00 2.55 N ATOM 0 H ARG A 34 3.945 14.216 -32.021 1.00 65.41 H new ATOM 0 HA ARG A 34 4.233 15.901 -33.449 1.00 14.05 H new ATOM 0 HB2 ARG A 34 5.260 17.080 -30.858 1.00 45.01 H new ATOM 0 HB3 ARG A 34 5.265 18.035 -32.328 1.00 45.01 H new ATOM 0 HG2 ARG A 34 2.707 17.138 -32.404 1.00 14.13 H new ATOM 0 HG3 ARG A 34 2.966 17.103 -30.671 1.00 14.13 H new ATOM 0 HD2 ARG A 34 2.490 19.310 -30.675 1.00 23.30 H new ATOM 0 HD3 ARG A 34 4.068 19.555 -31.395 1.00 23.30 H new ATOM 0 HE ARG A 34 2.423 18.967 -33.565 1.00 34.13 H new ATOM 0 HH11 ARG A 34 2.436 21.325 -30.939 1.00 5.33 H new ATOM 0 HH12 ARG A 34 1.610 22.563 -31.891 1.00 5.33 H new ATOM 0 HH21 ARG A 34 1.363 20.562 -34.783 1.00 2.55 H new ATOM 0 HH22 ARG A 34 1.005 22.133 -34.058 1.00 2.55 H new ATOM 541 N GLY A 35 6.803 14.771 -33.745 1.00 23.44 N ATOM 542 CA GLY A 35 8.111 14.664 -34.364 1.00 61.43 C ATOM 543 C GLY A 35 9.228 15.114 -33.443 1.00 73.32 C ATOM 544 O GLY A 35 10.263 15.597 -33.901 1.00 44.34 O ATOM 0 H GLY A 35 6.277 13.898 -33.702 1.00 23.44 H new ATOM 0 HA2 GLY A 35 8.285 13.630 -34.662 1.00 61.43 H new ATOM 0 HA3 GLY A 35 8.129 15.265 -35.273 1.00 61.43 H new ATOM 548 N HIS A 36 9.018 14.956 -32.140 1.00 55.41 N ATOM 549 CA HIS A 36 10.015 15.352 -31.152 1.00 32.53 C ATOM 550 C HIS A 36 10.117 14.314 -30.038 1.00 72.30 C ATOM 551 O HIS A 36 9.137 13.647 -29.707 1.00 52.03 O ATOM 552 CB HIS A 36 9.665 16.718 -30.561 1.00 71.31 C ATOM 553 CG HIS A 36 10.124 17.869 -31.402 1.00 10.02 C ATOM 554 ND1 HIS A 36 11.449 18.097 -31.707 1.00 62.43 N ATOM 555 CD2 HIS A 36 9.425 18.860 -32.004 1.00 22.31 C ATOM 556 CE1 HIS A 36 11.546 19.178 -32.459 1.00 50.34 C ATOM 557 NE2 HIS A 36 10.332 19.660 -32.654 1.00 53.24 N ATOM 0 H HIS A 36 8.167 14.557 -31.744 1.00 55.41 H new ATOM 0 HA HIS A 36 10.981 15.419 -31.653 1.00 32.53 H new ATOM 0 HB2 HIS A 36 8.585 16.782 -30.430 1.00 71.31 H new ATOM 0 HB3 HIS A 36 10.112 16.801 -29.570 1.00 71.31 H new ATOM 0 HD2 HIS A 36 8.354 18.996 -31.978 1.00 22.31 H new ATOM 0 HE1 HIS A 36 12.462 19.597 -32.848 1.00 50.34 H new ATOM 0 HE2 HIS A 36 10.105 20.492 -33.199 1.00 53.24 H new ATOM 565 N GLU A 37 11.309 14.183 -29.465 1.00 21.21 N ATOM 566 CA GLU A 37 11.538 13.225 -28.390 1.00 21.32 C ATOM 567 C GLU A 37 11.686 13.937 -27.048 1.00 43.14 C ATOM 568 O GLU A 37 12.375 14.952 -26.945 1.00 5.13 O ATOM 569 CB GLU A 37 12.788 12.391 -28.678 1.00 22.35 C ATOM 570 CG GLU A 37 14.067 13.209 -28.730 1.00 42.34 C ATOM 571 CD GLU A 37 14.868 12.959 -29.993 1.00 65.31 C ATOM 572 OE1 GLU A 37 14.250 12.775 -31.062 1.00 42.33 O ATOM 573 OE2 GLU A 37 16.115 12.946 -29.911 1.00 53.44 O ATOM 0 H GLU A 37 12.131 14.728 -29.727 1.00 21.21 H new ATOM 0 HA GLU A 37 10.673 12.564 -28.337 1.00 21.32 H new ATOM 0 HB2 GLU A 37 12.888 11.624 -27.910 1.00 22.35 H new ATOM 0 HB3 GLU A 37 12.658 11.874 -29.629 1.00 22.35 H new ATOM 0 HG2 GLU A 37 13.819 14.268 -28.665 1.00 42.34 H new ATOM 0 HG3 GLU A 37 14.681 12.972 -27.862 1.00 42.34 H new ATOM 580 N PHE A 38 11.034 13.398 -26.024 1.00 11.33 N ATOM 581 CA PHE A 38 11.091 13.982 -24.689 1.00 0.42 C ATOM 582 C PHE A 38 11.459 12.928 -23.649 1.00 45.01 C ATOM 583 O PHE A 38 10.677 12.022 -23.366 1.00 20.33 O ATOM 584 CB PHE A 38 9.747 14.621 -24.330 1.00 64.43 C ATOM 585 CG PHE A 38 9.192 15.498 -25.416 1.00 1.15 C ATOM 586 CD1 PHE A 38 9.835 16.673 -25.772 1.00 32.32 C ATOM 587 CD2 PHE A 38 8.027 15.149 -26.079 1.00 70.40 C ATOM 588 CE1 PHE A 38 9.327 17.482 -26.770 1.00 53.42 C ATOM 589 CE2 PHE A 38 7.514 15.954 -27.078 1.00 64.14 C ATOM 590 CZ PHE A 38 8.164 17.123 -27.424 1.00 23.24 C ATOM 0 H PHE A 38 10.460 12.558 -26.093 1.00 11.33 H new ATOM 0 HA PHE A 38 11.863 14.752 -24.690 1.00 0.42 H new ATOM 0 HB2 PHE A 38 9.027 13.833 -24.106 1.00 64.43 H new ATOM 0 HB3 PHE A 38 9.866 15.212 -23.422 1.00 64.43 H new ATOM 0 HD1 PHE A 38 10.744 16.959 -25.263 1.00 32.32 H new ATOM 0 HD2 PHE A 38 7.514 14.237 -25.812 1.00 70.40 H new ATOM 0 HE1 PHE A 38 9.839 18.394 -27.039 1.00 53.42 H new ATOM 0 HE2 PHE A 38 6.606 15.670 -27.588 1.00 64.14 H new ATOM 0 HZ PHE A 38 7.764 17.755 -28.204 1.00 23.24 H new ATOM 600 N GLU A 39 12.657 13.054 -23.085 1.00 53.53 N ATOM 601 CA GLU A 39 13.130 12.112 -22.078 1.00 75.23 C ATOM 602 C GLU A 39 12.841 12.628 -20.672 1.00 34.14 C ATOM 603 O GLU A 39 13.526 13.521 -20.173 1.00 20.53 O ATOM 604 CB GLU A 39 14.630 11.864 -22.244 1.00 43.12 C ATOM 605 CG GLU A 39 15.172 10.775 -21.333 1.00 51.41 C ATOM 606 CD GLU A 39 16.482 10.197 -21.831 1.00 21.43 C ATOM 607 OE1 GLU A 39 17.439 10.976 -22.022 1.00 64.42 O ATOM 608 OE2 GLU A 39 16.550 8.966 -22.029 1.00 24.32 O ATOM 0 H GLU A 39 13.317 13.799 -23.309 1.00 53.53 H new ATOM 0 HA GLU A 39 12.596 11.172 -22.218 1.00 75.23 H new ATOM 0 HB2 GLU A 39 14.832 11.593 -23.280 1.00 43.12 H new ATOM 0 HB3 GLU A 39 15.167 12.792 -22.046 1.00 43.12 H new ATOM 0 HG2 GLU A 39 15.316 11.182 -20.332 1.00 51.41 H new ATOM 0 HG3 GLU A 39 14.435 9.976 -21.249 1.00 51.41 H new ATOM 615 N VAL A 40 11.820 12.060 -20.037 1.00 71.22 N ATOM 616 CA VAL A 40 11.439 12.461 -18.688 1.00 44.11 C ATOM 617 C VAL A 40 11.968 11.476 -17.652 1.00 22.30 C ATOM 618 O VAL A 40 12.436 10.391 -17.996 1.00 20.24 O ATOM 619 CB VAL A 40 9.910 12.568 -18.545 1.00 14.22 C ATOM 620 CG1 VAL A 40 9.342 13.526 -19.581 1.00 52.01 C ATOM 621 CG2 VAL A 40 9.266 11.195 -18.667 1.00 1.23 C ATOM 0 H VAL A 40 11.242 11.320 -20.436 1.00 71.22 H new ATOM 0 HA VAL A 40 11.882 13.441 -18.512 1.00 44.11 H new ATOM 0 HB VAL A 40 9.682 12.964 -17.555 1.00 14.22 H new ATOM 0 HG11 VAL A 40 8.260 13.589 -19.464 1.00 52.01 H new ATOM 0 HG12 VAL A 40 9.780 14.514 -19.441 1.00 52.01 H new ATOM 0 HG13 VAL A 40 9.579 13.163 -20.581 1.00 52.01 H new ATOM 0 HG21 VAL A 40 8.185 11.290 -18.563 1.00 1.23 H new ATOM 0 HG22 VAL A 40 9.501 10.768 -19.642 1.00 1.23 H new ATOM 0 HG23 VAL A 40 9.650 10.542 -17.883 1.00 1.23 H new ATOM 631 N GLU A 41 11.890 11.861 -16.382 1.00 54.52 N ATOM 632 CA GLU A 41 12.361 11.011 -15.296 1.00 1.04 C ATOM 633 C GLU A 41 11.220 10.661 -14.345 1.00 22.52 C ATOM 634 O GLU A 41 10.582 11.543 -13.772 1.00 51.33 O ATOM 635 CB GLU A 41 13.486 11.706 -14.526 1.00 20.04 C ATOM 636 CG GLU A 41 14.094 10.848 -13.429 1.00 73.51 C ATOM 637 CD GLU A 41 15.549 11.183 -13.164 1.00 55.22 C ATOM 638 OE1 GLU A 41 16.305 11.361 -14.142 1.00 34.41 O ATOM 639 OE2 GLU A 41 15.931 11.269 -11.978 1.00 75.41 O ATOM 0 H GLU A 41 11.505 12.756 -16.080 1.00 54.52 H new ATOM 0 HA GLU A 41 12.744 10.088 -15.731 1.00 1.04 H new ATOM 0 HB2 GLU A 41 14.270 11.994 -15.226 1.00 20.04 H new ATOM 0 HB3 GLU A 41 13.099 12.625 -14.085 1.00 20.04 H new ATOM 0 HG2 GLU A 41 13.522 10.980 -12.511 1.00 73.51 H new ATOM 0 HG3 GLU A 41 14.012 9.797 -13.707 1.00 73.51 H new ATOM 646 N ALA A 42 10.970 9.365 -14.183 1.00 13.55 N ATOM 647 CA ALA A 42 9.907 8.897 -13.301 1.00 5.41 C ATOM 648 C ALA A 42 10.468 8.453 -11.954 1.00 71.22 C ATOM 649 O ALA A 42 11.263 7.516 -11.880 1.00 4.15 O ATOM 650 CB ALA A 42 9.140 7.759 -13.957 1.00 40.31 C ATOM 0 H ALA A 42 11.489 8.621 -14.651 1.00 13.55 H new ATOM 0 HA ALA A 42 9.223 9.727 -13.124 1.00 5.41 H new ATOM 0 HB1 ALA A 42 8.350 7.419 -13.288 1.00 40.31 H new ATOM 0 HB2 ALA A 42 8.699 8.108 -14.891 1.00 40.31 H new ATOM 0 HB3 ALA A 42 9.821 6.933 -14.163 1.00 40.31 H new ATOM 656 N LYS A 43 10.049 9.131 -10.891 1.00 73.12 N ATOM 657 CA LYS A 43 10.508 8.806 -9.546 1.00 11.10 C ATOM 658 C LYS A 43 9.344 8.359 -8.667 1.00 62.10 C ATOM 659 O LYS A 43 9.523 7.573 -7.737 1.00 21.33 O ATOM 660 CB LYS A 43 11.201 10.016 -8.916 1.00 24.14 C ATOM 661 CG LYS A 43 12.718 9.927 -8.936 1.00 35.45 C ATOM 662 CD LYS A 43 13.226 8.866 -7.974 1.00 3.14 C ATOM 663 CE LYS A 43 14.178 9.457 -6.945 1.00 1.21 C ATOM 664 NZ LYS A 43 14.991 8.406 -6.273 1.00 63.11 N ATOM 0 H LYS A 43 9.392 9.910 -10.935 1.00 73.12 H new ATOM 0 HA LYS A 43 11.220 7.984 -9.620 1.00 11.10 H new ATOM 0 HB2 LYS A 43 10.891 10.918 -9.445 1.00 24.14 H new ATOM 0 HB3 LYS A 43 10.865 10.120 -7.884 1.00 24.14 H new ATOM 0 HG2 LYS A 43 13.057 9.696 -9.946 1.00 35.45 H new ATOM 0 HG3 LYS A 43 13.144 10.895 -8.670 1.00 35.45 H new ATOM 0 HD2 LYS A 43 12.382 8.400 -7.465 1.00 3.14 H new ATOM 0 HD3 LYS A 43 13.734 8.080 -8.533 1.00 3.14 H new ATOM 0 HE2 LYS A 43 14.841 10.172 -7.432 1.00 1.21 H new ATOM 0 HE3 LYS A 43 13.608 10.008 -6.197 1.00 1.21 H new ATOM 0 HZ1 LYS A 43 15.627 8.849 -5.579 1.00 63.11 H new ATOM 0 HZ2 LYS A 43 14.360 7.737 -5.787 1.00 63.11 H new ATOM 0 HZ3 LYS A 43 15.555 7.896 -6.983 1.00 63.11 H new ATOM 678 N ASP A 44 8.153 8.863 -8.969 1.00 11.41 N ATOM 679 CA ASP A 44 6.959 8.514 -8.208 1.00 23.44 C ATOM 680 C ASP A 44 5.731 9.228 -8.764 1.00 24.21 C ATOM 681 O ASP A 44 5.792 9.851 -9.824 1.00 33.35 O ATOM 682 CB ASP A 44 7.147 8.870 -6.732 1.00 71.31 C ATOM 683 CG ASP A 44 6.882 7.692 -5.814 1.00 44.42 C ATOM 684 OD1 ASP A 44 7.617 6.688 -5.912 1.00 61.41 O ATOM 685 OD2 ASP A 44 5.940 7.775 -4.999 1.00 1.54 O ATOM 0 H ASP A 44 7.988 9.515 -9.736 1.00 11.41 H new ATOM 0 HA ASP A 44 6.803 7.439 -8.298 1.00 23.44 H new ATOM 0 HB2 ASP A 44 8.164 9.228 -6.574 1.00 71.31 H new ATOM 0 HB3 ASP A 44 6.477 9.689 -6.470 1.00 71.31 H new ATOM 690 N GLN A 45 4.619 9.131 -8.042 1.00 45.42 N ATOM 691 CA GLN A 45 3.377 9.767 -8.465 1.00 62.13 C ATOM 692 C GLN A 45 3.600 11.243 -8.778 1.00 31.03 C ATOM 693 O GLN A 45 2.955 11.804 -9.663 1.00 2.04 O ATOM 694 CB GLN A 45 2.309 9.618 -7.381 1.00 14.51 C ATOM 695 CG GLN A 45 2.740 10.152 -6.024 1.00 63.33 C ATOM 696 CD GLN A 45 1.846 11.269 -5.525 1.00 12.11 C ATOM 697 OE1 GLN A 45 1.488 12.176 -6.277 1.00 14.24 O ATOM 698 NE2 GLN A 45 1.479 11.209 -4.250 1.00 3.40 N ATOM 0 H GLN A 45 4.553 8.619 -7.162 1.00 45.42 H new ATOM 0 HA GLN A 45 3.034 9.271 -9.373 1.00 62.13 H new ATOM 0 HB2 GLN A 45 1.406 10.141 -7.698 1.00 14.51 H new ATOM 0 HB3 GLN A 45 2.049 8.564 -7.281 1.00 14.51 H new ATOM 0 HG2 GLN A 45 2.736 9.338 -5.300 1.00 63.33 H new ATOM 0 HG3 GLN A 45 3.766 10.515 -6.090 1.00 63.33 H new ATOM 0 HE21 GLN A 45 1.799 10.439 -3.663 1.00 3.40 H new ATOM 0 HE22 GLN A 45 0.877 11.933 -3.858 1.00 3.40 H new ATOM 707 N ASN A 46 4.517 11.866 -8.045 1.00 13.24 N ATOM 708 CA ASN A 46 4.824 13.278 -8.243 1.00 53.02 C ATOM 709 C ASN A 46 5.693 13.477 -9.481 1.00 25.22 C ATOM 710 O ASN A 46 6.916 13.591 -9.383 1.00 34.05 O ATOM 711 CB ASN A 46 5.532 13.845 -7.012 1.00 4.44 C ATOM 712 CG ASN A 46 5.616 15.359 -7.039 1.00 13.33 C ATOM 713 OD1 ASN A 46 6.324 15.938 -7.862 1.00 5.50 O ATOM 714 ND2 ASN A 46 4.890 16.008 -6.135 1.00 71.13 N ATOM 0 H ASN A 46 5.060 11.415 -7.309 1.00 13.24 H new ATOM 0 HA ASN A 46 3.885 13.811 -8.391 1.00 53.02 H new ATOM 0 HB2 ASN A 46 5.002 13.529 -6.114 1.00 4.44 H new ATOM 0 HB3 ASN A 46 6.538 13.429 -6.951 1.00 4.44 H new ATOM 0 HD21 ASN A 46 4.906 17.027 -6.105 1.00 71.13 H new ATOM 0 HD22 ASN A 46 4.317 15.487 -5.471 1.00 71.13 H new ATOM 721 N CYS A 47 5.055 13.518 -10.645 1.00 60.15 N ATOM 722 CA CYS A 47 5.769 13.703 -11.903 1.00 73.02 C ATOM 723 C CYS A 47 5.562 15.115 -12.443 1.00 2.31 C ATOM 724 O CYS A 47 4.447 15.636 -12.440 1.00 53.43 O ATOM 725 CB CYS A 47 5.299 12.677 -12.936 1.00 70.31 C ATOM 726 SG CYS A 47 5.988 11.008 -12.693 1.00 45.21 S ATOM 0 H CYS A 47 4.044 13.426 -10.744 1.00 60.15 H new ATOM 0 HA CYS A 47 6.832 13.557 -11.713 1.00 73.02 H new ATOM 0 HB2 CYS A 47 4.211 12.618 -12.904 1.00 70.31 H new ATOM 0 HB3 CYS A 47 5.570 13.029 -13.931 1.00 70.31 H new ATOM 731 N LYS A 48 6.645 15.730 -12.906 1.00 24.02 N ATOM 732 CA LYS A 48 6.585 17.081 -13.451 1.00 1.14 C ATOM 733 C LYS A 48 7.246 17.144 -14.824 1.00 33.00 C ATOM 734 O LYS A 48 8.340 16.617 -15.022 1.00 64.41 O ATOM 735 CB LYS A 48 7.267 18.068 -12.499 1.00 75.55 C ATOM 736 CG LYS A 48 8.749 17.801 -12.306 1.00 63.25 C ATOM 737 CD LYS A 48 9.248 18.355 -10.982 1.00 72.14 C ATOM 738 CE LYS A 48 10.060 19.626 -11.180 1.00 74.23 C ATOM 739 NZ LYS A 48 10.763 20.035 -9.933 1.00 34.12 N ATOM 0 H LYS A 48 7.576 15.314 -12.915 1.00 24.02 H new ATOM 0 HA LYS A 48 5.536 17.356 -13.560 1.00 1.14 H new ATOM 0 HB2 LYS A 48 7.136 19.080 -12.883 1.00 75.55 H new ATOM 0 HB3 LYS A 48 6.770 18.028 -11.530 1.00 75.55 H new ATOM 0 HG2 LYS A 48 8.934 16.728 -12.345 1.00 63.25 H new ATOM 0 HG3 LYS A 48 9.310 18.251 -13.125 1.00 63.25 H new ATOM 0 HD2 LYS A 48 8.399 18.562 -10.330 1.00 72.14 H new ATOM 0 HD3 LYS A 48 9.860 17.605 -10.480 1.00 72.14 H new ATOM 0 HE2 LYS A 48 10.790 19.470 -11.974 1.00 74.23 H new ATOM 0 HE3 LYS A 48 9.401 20.431 -11.506 1.00 74.23 H new ATOM 0 HZ1 LYS A 48 11.305 20.905 -10.109 1.00 34.12 H new ATOM 0 HZ2 LYS A 48 10.065 20.208 -9.182 1.00 34.12 H new ATOM 0 HZ3 LYS A 48 11.411 19.278 -9.635 1.00 34.12 H new ATOM 753 N VAL A 49 6.574 17.794 -15.770 1.00 23.44 N ATOM 754 CA VAL A 49 7.098 17.928 -17.124 1.00 34.32 C ATOM 755 C VAL A 49 8.522 18.472 -17.111 1.00 73.43 C ATOM 756 O VAL A 49 8.739 19.664 -16.897 1.00 3.53 O ATOM 757 CB VAL A 49 6.213 18.855 -17.978 1.00 40.11 C ATOM 758 CG1 VAL A 49 4.932 18.144 -18.387 1.00 30.04 C ATOM 759 CG2 VAL A 49 5.902 20.139 -17.223 1.00 25.41 C ATOM 0 H VAL A 49 5.666 18.236 -15.623 1.00 23.44 H new ATOM 0 HA VAL A 49 7.098 16.931 -17.564 1.00 34.32 H new ATOM 0 HB VAL A 49 6.760 19.116 -18.884 1.00 40.11 H new ATOM 0 HG11 VAL A 49 4.320 18.815 -18.990 1.00 30.04 H new ATOM 0 HG12 VAL A 49 5.179 17.256 -18.970 1.00 30.04 H new ATOM 0 HG13 VAL A 49 4.378 17.850 -17.495 1.00 30.04 H new ATOM 0 HG21 VAL A 49 5.276 20.782 -17.841 1.00 25.41 H new ATOM 0 HG22 VAL A 49 5.375 19.899 -16.299 1.00 25.41 H new ATOM 0 HG23 VAL A 49 6.832 20.657 -16.987 1.00 25.41 H new ATOM 769 N ILE A 50 9.488 17.590 -17.343 1.00 21.40 N ATOM 770 CA ILE A 50 10.892 17.982 -17.360 1.00 32.01 C ATOM 771 C ILE A 50 11.717 17.036 -18.226 1.00 34.23 C ATOM 772 O ILE A 50 11.388 15.857 -18.364 1.00 34.24 O ATOM 773 CB ILE A 50 11.486 18.009 -15.939 1.00 51.33 C ATOM 774 CG1 ILE A 50 12.878 18.644 -15.957 1.00 52.32 C ATOM 775 CG2 ILE A 50 11.547 16.602 -15.364 1.00 11.44 C ATOM 776 CD1 ILE A 50 13.423 18.943 -14.578 1.00 44.24 C ATOM 0 H ILE A 50 9.324 16.599 -17.522 1.00 21.40 H new ATOM 0 HA ILE A 50 10.934 18.986 -17.782 1.00 32.01 H new ATOM 0 HB ILE A 50 10.840 18.613 -15.302 1.00 51.33 H new ATOM 0 HG12 ILE A 50 13.567 17.976 -16.474 1.00 52.32 H new ATOM 0 HG13 ILE A 50 12.839 19.569 -16.532 1.00 52.32 H new ATOM 0 HG21 ILE A 50 11.969 16.637 -14.360 1.00 11.44 H new ATOM 0 HG22 ILE A 50 10.542 16.183 -15.321 1.00 11.44 H new ATOM 0 HG23 ILE A 50 12.174 15.976 -15.999 1.00 11.44 H new ATOM 0 HD11 ILE A 50 14.412 19.392 -14.667 1.00 44.24 H new ATOM 0 HD12 ILE A 50 12.755 19.636 -14.065 1.00 44.24 H new ATOM 0 HD13 ILE A 50 13.494 18.018 -14.006 1.00 44.24 H new ATOM 788 N LEU A 51 12.791 17.559 -18.806 1.00 30.10 N ATOM 789 CA LEU A 51 13.666 16.760 -19.658 1.00 12.53 C ATOM 790 C LEU A 51 15.054 16.629 -19.040 1.00 64.45 C ATOM 791 O LEU A 51 15.506 17.508 -18.306 1.00 41.13 O ATOM 792 CB LEU A 51 13.771 17.391 -21.048 1.00 33.53 C ATOM 793 CG LEU A 51 12.452 17.823 -21.690 1.00 2.01 C ATOM 794 CD1 LEU A 51 12.703 18.848 -22.785 1.00 72.23 C ATOM 795 CD2 LEU A 51 11.709 16.617 -22.245 1.00 54.02 C ATOM 0 H LEU A 51 13.077 18.532 -18.702 1.00 30.10 H new ATOM 0 HA LEU A 51 13.234 15.764 -19.750 1.00 12.53 H new ATOM 0 HB2 LEU A 51 14.422 18.263 -20.981 1.00 33.53 H new ATOM 0 HB3 LEU A 51 14.259 16.678 -21.713 1.00 33.53 H new ATOM 0 HG LEU A 51 11.830 18.286 -20.923 1.00 2.01 H new ATOM 0 HD11 LEU A 51 11.753 19.144 -23.231 1.00 72.23 H new ATOM 0 HD12 LEU A 51 13.192 19.724 -22.358 1.00 72.23 H new ATOM 0 HD13 LEU A 51 13.343 18.412 -23.552 1.00 72.23 H new ATOM 0 HD21 LEU A 51 10.773 16.943 -22.698 1.00 54.02 H new ATOM 0 HD22 LEU A 51 12.325 16.125 -22.998 1.00 54.02 H new ATOM 0 HD23 LEU A 51 11.496 15.917 -21.437 1.00 54.02 H new ATOM 807 N THR A 52 15.729 15.524 -19.345 1.00 3.23 N ATOM 808 CA THR A 52 17.067 15.277 -18.821 1.00 52.32 C ATOM 809 C THR A 52 18.132 15.890 -19.723 1.00 61.33 C ATOM 810 O THR A 52 19.327 15.677 -19.521 1.00 52.22 O ATOM 811 CB THR A 52 17.342 13.769 -18.672 1.00 10.12 C ATOM 812 OG1 THR A 52 18.638 13.562 -18.100 1.00 65.13 O ATOM 813 CG2 THR A 52 17.258 13.068 -20.019 1.00 70.40 C ATOM 0 H THR A 52 15.371 14.787 -19.952 1.00 3.23 H new ATOM 0 HA THR A 52 17.114 15.746 -17.838 1.00 52.32 H new ATOM 0 HB THR A 52 16.583 13.347 -18.013 1.00 10.12 H new ATOM 0 HG1 THR A 52 19.260 14.235 -18.447 1.00 65.13 H new ATOM 0 HG21 THR A 52 17.456 12.004 -19.888 1.00 70.40 H new ATOM 0 HG22 THR A 52 16.261 13.203 -20.438 1.00 70.40 H new ATOM 0 HG23 THR A 52 17.997 13.494 -20.698 1.00 70.40 H new ATOM 821 N ASN A 53 17.691 16.651 -20.719 1.00 50.52 N ATOM 822 CA ASN A 53 18.608 17.295 -21.653 1.00 11.42 C ATOM 823 C ASN A 53 18.848 18.751 -21.263 1.00 21.30 C ATOM 824 O ASN A 53 19.078 19.604 -22.119 1.00 61.20 O ATOM 825 CB ASN A 53 18.053 17.222 -23.077 1.00 24.01 C ATOM 826 CG ASN A 53 19.085 17.607 -24.120 1.00 1.04 C ATOM 827 OD1 ASN A 53 20.038 16.868 -24.368 1.00 42.42 O ATOM 828 ND2 ASN A 53 18.899 18.769 -24.735 1.00 71.11 N ATOM 0 H ASN A 53 16.705 16.837 -20.900 1.00 50.52 H new ATOM 0 HA ASN A 53 19.560 16.765 -21.613 1.00 11.42 H new ATOM 0 HB2 ASN A 53 17.700 16.210 -23.275 1.00 24.01 H new ATOM 0 HB3 ASN A 53 17.190 17.883 -23.162 1.00 24.01 H new ATOM 0 HD21 ASN A 53 19.561 19.082 -25.445 1.00 71.11 H new ATOM 0 HD22 ASN A 53 18.094 19.349 -24.497 1.00 71.11 H new ATOM 835 N GLY A 54 18.793 19.027 -19.963 1.00 64.54 N ATOM 836 CA GLY A 54 19.007 20.379 -19.482 1.00 64.14 C ATOM 837 C GLY A 54 17.982 21.356 -20.024 1.00 24.34 C ATOM 838 O GLY A 54 18.265 22.545 -20.173 1.00 71.34 O ATOM 0 H GLY A 54 18.604 18.338 -19.235 1.00 64.54 H new ATOM 0 HA2 GLY A 54 18.969 20.384 -18.393 1.00 64.14 H new ATOM 0 HA3 GLY A 54 20.006 20.709 -19.768 1.00 64.14 H new ATOM 842 N LYS A 55 16.788 20.854 -20.320 1.00 2.22 N ATOM 843 CA LYS A 55 15.716 21.690 -20.848 1.00 65.32 C ATOM 844 C LYS A 55 14.374 21.306 -20.233 1.00 42.44 C ATOM 845 O LYS A 55 14.205 20.194 -19.735 1.00 63.23 O ATOM 846 CB LYS A 55 15.647 21.562 -22.372 1.00 14.43 C ATOM 847 CG LYS A 55 15.858 22.877 -23.102 1.00 54.23 C ATOM 848 CD LYS A 55 17.333 23.150 -23.344 1.00 14.51 C ATOM 849 CE LYS A 55 17.535 24.363 -24.239 1.00 4.40 C ATOM 850 NZ LYS A 55 17.126 24.090 -25.645 1.00 3.15 N ATOM 0 H LYS A 55 16.538 19.872 -20.203 1.00 2.22 H new ATOM 0 HA LYS A 55 15.932 22.726 -20.586 1.00 65.32 H new ATOM 0 HB2 LYS A 55 16.401 20.847 -22.703 1.00 14.43 H new ATOM 0 HB3 LYS A 55 14.676 21.153 -22.650 1.00 14.43 H new ATOM 0 HG2 LYS A 55 15.330 22.854 -24.055 1.00 54.23 H new ATOM 0 HG3 LYS A 55 15.427 23.691 -22.519 1.00 54.23 H new ATOM 0 HD2 LYS A 55 17.835 23.312 -22.390 1.00 14.51 H new ATOM 0 HD3 LYS A 55 17.795 22.276 -23.803 1.00 14.51 H new ATOM 0 HE2 LYS A 55 16.958 25.202 -23.849 1.00 4.40 H new ATOM 0 HE3 LYS A 55 18.584 24.660 -24.217 1.00 4.40 H new ATOM 0 HZ1 LYS A 55 17.463 24.858 -26.260 1.00 3.15 H new ATOM 0 HZ2 LYS A 55 17.540 23.189 -25.958 1.00 3.15 H new ATOM 0 HZ3 LYS A 55 16.089 24.032 -25.700 1.00 3.15 H new ATOM 864 N GLN A 56 13.423 22.234 -20.274 1.00 5.34 N ATOM 865 CA GLN A 56 12.096 21.992 -19.721 1.00 22.23 C ATOM 866 C GLN A 56 11.050 21.922 -20.828 1.00 14.51 C ATOM 867 O GLN A 56 11.171 22.592 -21.853 1.00 43.21 O ATOM 868 CB GLN A 56 11.728 23.091 -18.722 1.00 72.35 C ATOM 869 CG GLN A 56 11.542 24.457 -19.363 1.00 31.12 C ATOM 870 CD GLN A 56 11.571 25.585 -18.350 1.00 60.23 C ATOM 871 OE1 GLN A 56 11.603 25.349 -17.142 1.00 43.21 O ATOM 872 NE2 GLN A 56 11.560 26.820 -18.839 1.00 31.53 N ATOM 0 H GLN A 56 13.547 23.160 -20.684 1.00 5.34 H new ATOM 0 HA GLN A 56 12.115 21.033 -19.203 1.00 22.23 H new ATOM 0 HB2 GLN A 56 10.808 22.811 -18.209 1.00 72.35 H new ATOM 0 HB3 GLN A 56 12.508 23.158 -17.964 1.00 72.35 H new ATOM 0 HG2 GLN A 56 12.327 24.617 -20.102 1.00 31.12 H new ATOM 0 HG3 GLN A 56 10.592 24.477 -19.897 1.00 31.12 H new ATOM 0 HE21 GLN A 56 11.533 26.969 -19.848 1.00 31.53 H new ATOM 0 HE22 GLN A 56 11.578 27.619 -18.206 1.00 31.53 H new ATOM 881 N ALA A 57 10.022 21.108 -20.614 1.00 32.43 N ATOM 882 CA ALA A 57 8.953 20.952 -21.593 1.00 2.23 C ATOM 883 C ALA A 57 8.391 22.306 -22.011 1.00 53.40 C ATOM 884 O ALA A 57 8.554 23.313 -21.321 1.00 55.23 O ATOM 885 CB ALA A 57 7.848 20.070 -21.032 1.00 31.31 C ATOM 0 H ALA A 57 9.907 20.546 -19.771 1.00 32.43 H new ATOM 0 HA ALA A 57 9.371 20.472 -22.478 1.00 2.23 H new ATOM 0 HB1 ALA A 57 7.057 19.962 -21.774 1.00 31.31 H new ATOM 0 HB2 ALA A 57 8.254 19.088 -20.789 1.00 31.31 H new ATOM 0 HB3 ALA A 57 7.440 20.527 -20.130 1.00 31.31 H new ATOM 891 N PRO A 58 7.713 22.335 -23.168 1.00 70.32 N ATOM 892 CA PRO A 58 7.113 23.560 -23.704 1.00 72.03 C ATOM 893 C PRO A 58 5.919 24.029 -22.880 1.00 54.13 C ATOM 894 O PRO A 58 5.653 23.503 -21.799 1.00 70.14 O ATOM 895 CB PRO A 58 6.665 23.150 -25.109 1.00 50.15 C ATOM 896 CG PRO A 58 6.462 21.676 -25.028 1.00 3.52 C ATOM 897 CD PRO A 58 7.480 21.173 -24.042 1.00 70.40 C ATOM 0 HA PRO A 58 7.813 24.396 -23.692 1.00 72.03 H new ATOM 0 HB2 PRO A 58 5.746 23.661 -25.396 1.00 50.15 H new ATOM 0 HB3 PRO A 58 7.418 23.405 -25.855 1.00 50.15 H new ATOM 0 HG2 PRO A 58 5.450 21.439 -24.700 1.00 3.52 H new ATOM 0 HG3 PRO A 58 6.599 21.209 -26.003 1.00 3.52 H new ATOM 0 HD2 PRO A 58 7.106 20.317 -23.481 1.00 70.40 H new ATOM 0 HD3 PRO A 58 8.396 20.854 -24.538 1.00 70.40 H new ATOM 905 N ASP A 59 5.202 25.021 -23.398 1.00 31.34 N ATOM 906 CA ASP A 59 4.034 25.560 -22.710 1.00 23.21 C ATOM 907 C ASP A 59 2.795 24.719 -23.002 1.00 43.01 C ATOM 908 O ASP A 59 1.772 24.851 -22.331 1.00 73.32 O ATOM 909 CB ASP A 59 3.792 27.010 -23.131 1.00 5.22 C ATOM 910 CG ASP A 59 4.000 27.986 -21.990 1.00 11.44 C ATOM 911 OD1 ASP A 59 3.517 27.705 -20.872 1.00 42.05 O ATOM 912 OD2 ASP A 59 4.646 29.031 -22.213 1.00 54.43 O ATOM 0 H ASP A 59 5.409 25.468 -24.291 1.00 31.34 H new ATOM 0 HA ASP A 59 4.228 25.529 -21.638 1.00 23.21 H new ATOM 0 HB2 ASP A 59 4.464 27.265 -23.950 1.00 5.22 H new ATOM 0 HB3 ASP A 59 2.775 27.110 -23.510 1.00 5.22 H new ATOM 917 N TRP A 60 2.896 23.857 -24.007 1.00 74.12 N ATOM 918 CA TRP A 60 1.782 22.995 -24.389 1.00 3.41 C ATOM 919 C TRP A 60 2.024 21.560 -23.934 1.00 51.23 C ATOM 920 O TRP A 60 1.465 20.618 -24.497 1.00 33.21 O ATOM 921 CB TRP A 60 1.576 23.036 -25.904 1.00 35.32 C ATOM 922 CG TRP A 60 2.840 22.829 -26.682 1.00 11.04 C ATOM 923 CD1 TRP A 60 3.744 23.786 -27.045 1.00 60.24 C ATOM 924 CD2 TRP A 60 3.339 21.588 -27.193 1.00 15.03 C ATOM 925 NE1 TRP A 60 4.775 23.214 -27.752 1.00 13.31 N ATOM 926 CE2 TRP A 60 4.550 21.867 -27.855 1.00 40.01 C ATOM 927 CE3 TRP A 60 2.881 20.268 -27.153 1.00 51.34 C ATOM 928 CZ2 TRP A 60 5.306 20.874 -28.473 1.00 10.32 C ATOM 929 CZ3 TRP A 60 3.632 19.284 -27.767 1.00 42.22 C ATOM 930 CH2 TRP A 60 4.834 19.591 -28.419 1.00 61.10 C ATOM 0 H TRP A 60 3.737 23.736 -24.572 1.00 74.12 H new ATOM 0 HA TRP A 60 0.882 23.365 -23.897 1.00 3.41 H new ATOM 0 HB2 TRP A 60 0.855 22.269 -26.186 1.00 35.32 H new ATOM 0 HB3 TRP A 60 1.142 23.998 -26.178 1.00 35.32 H new ATOM 0 HD1 TRP A 60 3.661 24.837 -26.811 1.00 60.24 H new ATOM 0 HE1 TRP A 60 5.577 23.712 -28.137 1.00 13.31 H new ATOM 0 HE3 TRP A 60 1.957 20.022 -26.651 1.00 51.34 H new ATOM 0 HZ2 TRP A 60 6.232 21.108 -28.977 1.00 10.32 H new ATOM 0 HZ3 TRP A 60 3.287 18.261 -27.744 1.00 42.22 H new ATOM 0 HH2 TRP A 60 5.399 18.799 -28.888 1.00 61.10 H new ATOM 941 N LEU A 61 2.859 21.400 -22.914 1.00 1.22 N ATOM 942 CA LEU A 61 3.174 20.078 -22.383 1.00 44.32 C ATOM 943 C LEU A 61 2.670 19.932 -20.951 1.00 72.33 C ATOM 944 O LEU A 61 2.745 20.869 -20.157 1.00 73.13 O ATOM 945 CB LEU A 61 4.684 19.834 -22.432 1.00 13.43 C ATOM 946 CG LEU A 61 5.142 18.626 -23.249 1.00 45.32 C ATOM 947 CD1 LEU A 61 4.401 17.373 -22.812 1.00 33.13 C ATOM 948 CD2 LEU A 61 4.936 18.879 -24.736 1.00 23.14 C ATOM 0 H LEU A 61 3.330 22.169 -22.438 1.00 1.22 H new ATOM 0 HA LEU A 61 2.672 19.335 -23.003 1.00 44.32 H new ATOM 0 HB2 LEU A 61 5.163 20.725 -22.838 1.00 13.43 H new ATOM 0 HB3 LEU A 61 5.046 19.715 -21.411 1.00 13.43 H new ATOM 0 HG LEU A 61 6.206 18.474 -23.070 1.00 45.32 H new ATOM 0 HD11 LEU A 61 4.741 16.524 -23.405 1.00 33.13 H new ATOM 0 HD12 LEU A 61 4.600 17.182 -21.757 1.00 33.13 H new ATOM 0 HD13 LEU A 61 3.330 17.513 -22.960 1.00 33.13 H new ATOM 0 HD21 LEU A 61 5.267 18.009 -25.302 1.00 23.14 H new ATOM 0 HD22 LEU A 61 3.879 19.058 -24.932 1.00 23.14 H new ATOM 0 HD23 LEU A 61 5.514 19.752 -25.040 1.00 23.14 H new ATOM 960 N ALA A 62 2.158 18.749 -20.628 1.00 74.30 N ATOM 961 CA ALA A 62 1.645 18.478 -19.291 1.00 32.02 C ATOM 962 C ALA A 62 1.832 17.011 -18.918 1.00 14.23 C ATOM 963 O ALA A 62 2.250 16.200 -19.743 1.00 32.42 O ATOM 964 CB ALA A 62 0.176 18.865 -19.200 1.00 70.45 C ATOM 0 H ALA A 62 2.087 17.963 -21.274 1.00 74.30 H new ATOM 0 HA ALA A 62 2.212 19.081 -18.582 1.00 32.02 H new ATOM 0 HB1 ALA A 62 -0.194 18.657 -18.196 1.00 70.45 H new ATOM 0 HB2 ALA A 62 0.066 19.928 -19.414 1.00 70.45 H new ATOM 0 HB3 ALA A 62 -0.398 18.287 -19.925 1.00 70.45 H new ATOM 970 N ALA A 63 1.520 16.679 -17.669 1.00 75.44 N ATOM 971 CA ALA A 63 1.652 15.309 -17.188 1.00 11.20 C ATOM 972 C ALA A 63 0.751 15.061 -15.983 1.00 52.31 C ATOM 973 O ALA A 63 0.958 15.634 -14.914 1.00 53.51 O ATOM 974 CB ALA A 63 3.102 15.012 -16.835 1.00 72.43 C ATOM 0 H ALA A 63 1.174 17.339 -16.973 1.00 75.44 H new ATOM 0 HA ALA A 63 1.339 14.637 -17.987 1.00 11.20 H new ATOM 0 HB1 ALA A 63 3.187 13.986 -16.477 1.00 72.43 H new ATOM 0 HB2 ALA A 63 3.726 15.140 -17.720 1.00 72.43 H new ATOM 0 HB3 ALA A 63 3.434 15.697 -16.055 1.00 72.43 H new ATOM 980 N GLU A 64 -0.250 14.205 -16.164 1.00 64.31 N ATOM 981 CA GLU A 64 -1.183 13.883 -15.091 1.00 1.21 C ATOM 982 C GLU A 64 -1.044 12.424 -14.668 1.00 22.32 C ATOM 983 O GLU A 64 -0.514 11.587 -15.399 1.00 25.00 O ATOM 984 CB GLU A 64 -2.620 14.162 -15.534 1.00 54.34 C ATOM 985 CG GLU A 64 -3.113 15.551 -15.165 1.00 2.44 C ATOM 986 CD GLU A 64 -4.467 15.870 -15.768 1.00 1.21 C ATOM 987 OE1 GLU A 64 -4.536 16.075 -16.998 1.00 21.33 O ATOM 988 OE2 GLU A 64 -5.458 15.915 -15.009 1.00 70.22 O ATOM 0 H GLU A 64 -0.435 13.722 -17.043 1.00 64.31 H new ATOM 0 HA GLU A 64 -0.945 14.515 -14.236 1.00 1.21 H new ATOM 0 HB2 GLU A 64 -2.689 14.037 -16.615 1.00 54.34 H new ATOM 0 HB3 GLU A 64 -3.280 13.420 -15.084 1.00 54.34 H new ATOM 0 HG2 GLU A 64 -3.174 15.634 -14.080 1.00 2.44 H new ATOM 0 HG3 GLU A 64 -2.387 16.291 -15.501 1.00 2.44 H new ATOM 995 N PRO A 65 -1.531 12.110 -13.458 1.00 63.21 N ATOM 996 CA PRO A 65 -1.473 10.752 -12.910 1.00 22.45 C ATOM 997 C PRO A 65 -2.403 9.791 -13.642 1.00 31.54 C ATOM 998 O PRO A 65 -3.096 10.178 -14.583 1.00 12.04 O ATOM 999 CB PRO A 65 -1.927 10.935 -11.459 1.00 51.13 C ATOM 1000 CG PRO A 65 -2.770 12.163 -11.479 1.00 40.40 C ATOM 1001 CD PRO A 65 -2.176 13.056 -12.533 1.00 1.41 C ATOM 0 HA PRO A 65 -0.479 10.315 -13.008 1.00 22.45 H new ATOM 0 HB2 PRO A 65 -2.493 10.072 -11.109 1.00 51.13 H new ATOM 0 HB3 PRO A 65 -1.075 11.050 -10.789 1.00 51.13 H new ATOM 0 HG2 PRO A 65 -3.807 11.921 -11.712 1.00 40.40 H new ATOM 0 HG3 PRO A 65 -2.768 12.654 -10.506 1.00 40.40 H new ATOM 0 HD2 PRO A 65 -2.941 13.650 -13.034 1.00 1.41 H new ATOM 0 HD3 PRO A 65 -1.457 13.756 -12.108 1.00 1.41 H new ATOM 1009 N TYR A 66 -2.414 8.536 -13.204 1.00 1.41 N ATOM 1010 CA TYR A 66 -3.258 7.519 -13.819 1.00 51.44 C ATOM 1011 C TYR A 66 -4.733 7.797 -13.546 1.00 11.12 C ATOM 1012 O TYR A 66 -5.421 8.408 -14.362 1.00 33.31 O ATOM 1013 CB TYR A 66 -2.884 6.131 -13.297 1.00 3.31 C ATOM 1014 CG TYR A 66 -3.840 5.043 -13.730 1.00 11.24 C ATOM 1015 CD1 TYR A 66 -4.277 4.957 -15.046 1.00 2.43 C ATOM 1016 CD2 TYR A 66 -4.306 4.100 -12.822 1.00 34.10 C ATOM 1017 CE1 TYR A 66 -5.151 3.965 -15.445 1.00 12.40 C ATOM 1018 CE2 TYR A 66 -5.180 3.103 -13.213 1.00 2.43 C ATOM 1019 CZ TYR A 66 -5.600 3.041 -14.525 1.00 63.30 C ATOM 1020 OH TYR A 66 -6.470 2.050 -14.919 1.00 44.02 O ATOM 0 H TYR A 66 -1.848 8.199 -12.425 1.00 1.41 H new ATOM 0 HA TYR A 66 -3.094 7.551 -14.896 1.00 51.44 H new ATOM 0 HB2 TYR A 66 -1.881 5.880 -13.643 1.00 3.31 H new ATOM 0 HB3 TYR A 66 -2.848 6.159 -12.208 1.00 3.31 H new ATOM 0 HD1 TYR A 66 -3.927 5.678 -15.770 1.00 2.43 H new ATOM 0 HD2 TYR A 66 -3.980 4.147 -11.793 1.00 34.10 H new ATOM 0 HE1 TYR A 66 -5.481 3.913 -16.472 1.00 12.40 H new ATOM 0 HE2 TYR A 66 -5.532 2.377 -12.495 1.00 2.43 H new ATOM 0 HH TYR A 66 -6.688 1.482 -14.151 1.00 44.02 H new TER 1030 TYR A 66