USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 491 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 9 CYS SG : rot 180:sc= -0.376 USER MOD Single : A 13 THR OG1 : rot -54:sc= 0.191 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.071 X(o=-0.071,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 137:sc= -2.66! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0955 K(o=-0.095,f=-1.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot 180:sc=-0.00455 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.153 K(o=-0.15,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 7.203 -4.989 -9.076 1.00 0.00 N ATOM 42 CA LEU A 4 8.068 -6.140 -9.310 1.00 0.00 C ATOM 43 C LEU A 4 9.339 -5.726 -10.044 1.00 0.00 C ATOM 44 O LEU A 4 9.280 -5.111 -11.109 1.00 0.00 O ATOM 45 CB LEU A 4 7.324 -7.207 -10.116 1.00 0.00 C ATOM 46 CG LEU A 4 6.075 -7.796 -9.458 1.00 0.00 C ATOM 47 CD1 LEU A 4 5.433 -8.833 -10.366 1.00 0.00 C ATOM 48 CD2 LEU A 4 6.422 -8.407 -8.108 1.00 0.00 C ATOM 0 HA LEU A 4 8.349 -6.555 -8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.036 -6.775 -11.074 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.016 -8.021 -10.329 1.00 0.00 H new ATOM 0 HG LEU A 4 5.358 -6.991 -9.296 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.546 -9.241 -9.882 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.149 -8.365 -11.309 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.143 -9.637 -10.559 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.522 -8.821 -7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.157 -9.200 -8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.836 -7.638 -7.456 1.00 0.00 H new ATOM 60 N ARG A 5 10.487 -6.070 -9.469 1.00 0.00 N ATOM 61 CA ARG A 5 11.772 -5.735 -10.069 1.00 0.00 C ATOM 62 C ARG A 5 12.841 -6.746 -9.665 1.00 0.00 C ATOM 63 O ARG A 5 12.850 -7.238 -8.536 1.00 0.00 O ATOM 64 CB ARG A 5 12.203 -4.327 -9.652 1.00 0.00 C ATOM 65 CG ARG A 5 12.327 -4.149 -8.148 1.00 0.00 C ATOM 66 CD ARG A 5 13.575 -3.360 -7.782 1.00 0.00 C ATOM 67 NE ARG A 5 13.456 -1.950 -8.143 1.00 0.00 N ATOM 68 CZ ARG A 5 14.300 -1.012 -7.729 1.00 0.00 C ATOM 69 NH1 ARG A 5 15.319 -1.332 -6.943 1.00 0.00 N ATOM 70 NH2 ARG A 5 14.126 0.250 -8.101 1.00 0.00 N ATOM 0 H ARG A 5 10.553 -6.580 -8.588 1.00 0.00 H new ATOM 0 HA ARG A 5 11.657 -5.766 -11.152 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.162 -4.097 -10.117 1.00 0.00 H new ATOM 0 HB3 ARG A 5 11.481 -3.606 -10.036 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.445 -3.634 -7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.358 -5.126 -7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.757 -3.446 -6.711 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.438 -3.792 -8.288 1.00 0.00 H new ATOM 0 HE ARG A 5 12.682 -1.670 -8.746 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.456 -2.301 -6.655 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.966 -0.609 -6.627 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.343 0.500 -8.705 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.775 0.970 -7.782 1.00 0.00 H new ATOM 84 N VAL A 6 13.741 -7.052 -10.594 1.00 0.00 N ATOM 85 CA VAL A 6 14.815 -8.003 -10.335 1.00 0.00 C ATOM 86 C VAL A 6 15.718 -7.519 -9.206 1.00 0.00 C ATOM 87 O VAL A 6 16.273 -6.422 -9.268 1.00 0.00 O ATOM 88 CB VAL A 6 15.669 -8.242 -11.594 1.00 0.00 C ATOM 89 CG1 VAL A 6 16.213 -6.926 -12.128 1.00 0.00 C ATOM 90 CG2 VAL A 6 16.800 -9.214 -11.293 1.00 0.00 C ATOM 0 H VAL A 6 13.747 -6.655 -11.533 1.00 0.00 H new ATOM 0 HA VAL A 6 14.343 -8.941 -10.042 1.00 0.00 H new ATOM 0 HB VAL A 6 15.036 -8.684 -12.363 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.814 -7.115 -13.018 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.384 -6.266 -12.384 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.832 -6.452 -11.366 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.394 -9.372 -12.194 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.434 -8.802 -10.508 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.384 -10.165 -10.962 1.00 0.00 H new ATOM 100 N GLY A 7 15.861 -8.344 -8.174 1.00 0.00 N ATOM 101 CA GLY A 7 16.698 -7.983 -7.045 1.00 0.00 C ATOM 102 C GLY A 7 16.242 -8.633 -5.753 1.00 0.00 C ATOM 103 O GLY A 7 17.051 -8.891 -4.861 1.00 0.00 O ATOM 0 H GLY A 7 15.412 -9.257 -8.099 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.727 -8.276 -7.252 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.693 -6.900 -6.925 1.00 0.00 H new ATOM 107 N LEU A 8 14.944 -8.896 -5.651 1.00 0.00 N ATOM 108 CA LEU A 8 14.381 -9.518 -4.458 1.00 0.00 C ATOM 109 C LEU A 8 15.083 -10.837 -4.149 1.00 0.00 C ATOM 110 O LEU A 8 15.182 -11.242 -2.990 1.00 0.00 O ATOM 111 CB LEU A 8 12.881 -9.757 -4.643 1.00 0.00 C ATOM 112 CG LEU A 8 12.474 -10.524 -5.901 1.00 0.00 C ATOM 113 CD1 LEU A 8 11.361 -11.512 -5.587 1.00 0.00 C ATOM 114 CD2 LEU A 8 12.039 -9.560 -6.996 1.00 0.00 C ATOM 0 H LEU A 8 14.262 -8.688 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 8 14.534 -8.840 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.510 -10.301 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.378 -8.790 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 8 13.339 -11.083 -6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.084 -12.049 -6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.706 -12.223 -4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.494 -10.974 -5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.753 -10.123 -7.884 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.188 -8.974 -6.648 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.864 -8.891 -7.241 1.00 0.00 H new ATOM 126 N CYS A 9 15.569 -11.500 -5.192 1.00 0.00 N ATOM 127 CA CYS A 9 16.264 -12.773 -5.031 1.00 0.00 C ATOM 128 C CYS A 9 17.185 -13.043 -6.217 1.00 0.00 C ATOM 129 O CYS A 9 16.996 -12.517 -7.314 1.00 0.00 O ATOM 130 CB CYS A 9 15.255 -13.913 -4.884 1.00 0.00 C ATOM 131 SG CYS A 9 13.905 -13.863 -6.085 1.00 0.00 S ATOM 0 H CYS A 9 15.495 -11.178 -6.157 1.00 0.00 H new ATOM 0 HA CYS A 9 16.871 -12.716 -4.128 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.780 -14.863 -4.983 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.834 -13.884 -3.879 1.00 0.00 H new ATOM 0 HG CYS A 9 13.106 -14.868 -5.882 1.00 0.00 H new ATOM 137 N PRO A 10 18.208 -13.881 -5.993 1.00 0.00 N ATOM 138 CA PRO A 10 19.181 -14.238 -7.030 1.00 0.00 C ATOM 139 C PRO A 10 18.571 -15.117 -8.117 1.00 0.00 C ATOM 140 O PRO A 10 19.127 -15.248 -9.207 1.00 0.00 O ATOM 141 CB PRO A 10 20.255 -15.010 -6.259 1.00 0.00 C ATOM 142 CG PRO A 10 19.546 -15.557 -5.068 1.00 0.00 C ATOM 143 CD PRO A 10 18.495 -14.544 -4.709 1.00 0.00 C ATOM 0 HA PRO A 10 19.561 -13.360 -7.553 1.00 0.00 H new ATOM 0 HB2 PRO A 10 20.682 -15.808 -6.867 1.00 0.00 H new ATOM 0 HB3 PRO A 10 21.077 -14.358 -5.965 1.00 0.00 H new ATOM 0 HG2 PRO A 10 19.095 -16.524 -5.292 1.00 0.00 H new ATOM 0 HG3 PRO A 10 20.237 -15.712 -4.240 1.00 0.00 H new ATOM 0 HD2 PRO A 10 17.606 -15.018 -4.294 1.00 0.00 H new ATOM 0 HD3 PRO A 10 18.857 -13.836 -3.963 1.00 0.00 H new ATOM 151 N GLY A 11 17.424 -15.716 -7.814 1.00 0.00 N ATOM 152 CA GLY A 11 16.758 -16.575 -8.776 1.00 0.00 C ATOM 153 C GLY A 11 16.180 -15.798 -9.942 1.00 0.00 C ATOM 154 O GLY A 11 16.498 -16.072 -11.100 1.00 0.00 O ATOM 0 H GLY A 11 16.944 -15.622 -6.919 1.00 0.00 H new ATOM 0 HA2 GLY A 11 17.466 -17.314 -9.151 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.959 -17.124 -8.277 1.00 0.00 H new ATOM 158 N LEU A 12 15.326 -14.827 -9.639 1.00 0.00 N ATOM 159 CA LEU A 12 14.699 -14.008 -10.671 1.00 0.00 C ATOM 160 C LEU A 12 15.717 -13.075 -11.318 1.00 0.00 C ATOM 161 O LEU A 12 16.600 -12.539 -10.647 1.00 0.00 O ATOM 162 CB LEU A 12 13.550 -13.193 -10.075 1.00 0.00 C ATOM 163 CG LEU A 12 12.176 -13.866 -10.083 1.00 0.00 C ATOM 164 CD1 LEU A 12 11.706 -14.103 -11.509 1.00 0.00 C ATOM 165 CD2 LEU A 12 12.219 -15.175 -9.309 1.00 0.00 C ATOM 0 H LEU A 12 15.051 -14.587 -8.686 1.00 0.00 H new ATOM 0 HA LEU A 12 14.304 -14.674 -11.439 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.804 -12.943 -9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.475 -12.253 -10.622 1.00 0.00 H new ATOM 0 HG LEU A 12 11.464 -13.201 -9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.727 -14.582 -11.495 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.635 -13.149 -12.032 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.418 -14.748 -12.024 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.233 -15.640 -9.325 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.944 -15.846 -9.769 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.510 -14.978 -8.277 1.00 0.00 H new ATOM 177 N THR A 13 15.587 -12.882 -12.627 1.00 0.00 N ATOM 178 CA THR A 13 16.495 -12.013 -13.366 1.00 0.00 C ATOM 179 C THR A 13 15.736 -10.884 -14.053 1.00 0.00 C ATOM 180 O THR A 13 14.518 -10.951 -14.214 1.00 0.00 O ATOM 181 CB THR A 13 17.291 -12.801 -14.424 1.00 0.00 C ATOM 182 OG1 THR A 13 16.403 -13.314 -15.423 1.00 0.00 O ATOM 183 CG2 THR A 13 18.057 -13.947 -13.782 1.00 0.00 C ATOM 0 H THR A 13 14.861 -13.316 -13.197 1.00 0.00 H new ATOM 0 HA THR A 13 17.190 -11.591 -12.640 1.00 0.00 H new ATOM 0 HB THR A 13 18.006 -12.122 -14.889 1.00 0.00 H new ATOM 0 HG1 THR A 13 15.692 -13.833 -14.993 1.00 0.00 H new ATOM 0 HG21 THR A 13 18.611 -14.489 -14.548 1.00 0.00 H new ATOM 0 HG22 THR A 13 18.753 -13.550 -13.043 1.00 0.00 H new ATOM 0 HG23 THR A 13 17.356 -14.624 -13.294 1.00 0.00 H new ATOM 191 N GLU A 14 16.465 -9.848 -14.458 1.00 0.00 N ATOM 192 CA GLU A 14 15.859 -8.704 -15.128 1.00 0.00 C ATOM 193 C GLU A 14 15.140 -9.138 -16.403 1.00 0.00 C ATOM 194 O GLU A 14 14.182 -8.499 -16.835 1.00 0.00 O ATOM 195 CB GLU A 14 16.924 -7.657 -15.462 1.00 0.00 C ATOM 196 CG GLU A 14 17.922 -8.117 -16.511 1.00 0.00 C ATOM 197 CD GLU A 14 19.028 -7.107 -16.746 1.00 0.00 C ATOM 198 OE1 GLU A 14 19.028 -6.057 -16.070 1.00 0.00 O ATOM 199 OE2 GLU A 14 19.895 -7.367 -17.607 1.00 0.00 O ATOM 0 H GLU A 14 17.475 -9.778 -14.334 1.00 0.00 H new ATOM 0 HA GLU A 14 15.127 -8.264 -14.450 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.432 -6.750 -15.814 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.462 -7.395 -14.551 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.361 -9.065 -16.199 1.00 0.00 H new ATOM 0 HG3 GLU A 14 17.398 -8.302 -17.449 1.00 0.00 H new ATOM 206 N GLU A 15 15.611 -10.229 -16.998 1.00 0.00 N ATOM 207 CA GLU A 15 15.015 -10.748 -18.223 1.00 0.00 C ATOM 208 C GLU A 15 13.546 -11.103 -18.006 1.00 0.00 C ATOM 209 O GLU A 15 12.685 -10.744 -18.808 1.00 0.00 O ATOM 210 CB GLU A 15 15.782 -11.980 -18.709 1.00 0.00 C ATOM 211 CG GLU A 15 16.921 -11.652 -19.659 1.00 0.00 C ATOM 212 CD GLU A 15 17.753 -12.869 -20.014 1.00 0.00 C ATOM 213 OE1 GLU A 15 17.187 -13.831 -20.575 1.00 0.00 O ATOM 214 OE2 GLU A 15 18.969 -12.860 -19.731 1.00 0.00 O ATOM 0 H GLU A 15 16.403 -10.770 -16.652 1.00 0.00 H new ATOM 0 HA GLU A 15 15.075 -9.969 -18.983 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.182 -12.512 -17.846 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.088 -12.657 -19.207 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.514 -11.216 -20.571 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.563 -10.898 -19.204 1.00 0.00 H new ATOM 221 N MET A 16 13.270 -11.810 -16.915 1.00 0.00 N ATOM 222 CA MET A 16 11.906 -12.213 -16.591 1.00 0.00 C ATOM 223 C MET A 16 11.027 -10.994 -16.331 1.00 0.00 C ATOM 224 O MET A 16 9.826 -11.015 -16.602 1.00 0.00 O ATOM 225 CB MET A 16 11.900 -13.132 -15.368 1.00 0.00 C ATOM 226 CG MET A 16 11.982 -14.609 -15.717 1.00 0.00 C ATOM 227 SD MET A 16 13.681 -15.200 -15.840 1.00 0.00 S ATOM 228 CE MET A 16 13.635 -16.597 -14.720 1.00 0.00 C ATOM 0 H MET A 16 13.972 -12.116 -16.241 1.00 0.00 H new ATOM 0 HA MET A 16 11.501 -12.755 -17.445 1.00 0.00 H new ATOM 0 HB2 MET A 16 12.740 -12.872 -14.724 1.00 0.00 H new ATOM 0 HB3 MET A 16 10.991 -12.953 -14.794 1.00 0.00 H new ATOM 0 HG2 MET A 16 11.454 -15.187 -14.959 1.00 0.00 H new ATOM 0 HG3 MET A 16 11.471 -14.784 -16.664 1.00 0.00 H new ATOM 0 HE1 MET A 16 14.617 -17.070 -14.687 1.00 0.00 H new ATOM 0 HE2 MET A 16 13.364 -16.254 -13.721 1.00 0.00 H new ATOM 0 HE3 MET A 16 12.896 -17.319 -15.069 1.00 0.00 H new ATOM 238 N ILE A 17 11.632 -9.935 -15.804 1.00 0.00 N ATOM 239 CA ILE A 17 10.903 -8.708 -15.508 1.00 0.00 C ATOM 240 C ILE A 17 10.308 -8.103 -16.775 1.00 0.00 C ATOM 241 O ILE A 17 9.196 -7.577 -16.760 1.00 0.00 O ATOM 242 CB ILE A 17 11.810 -7.664 -14.831 1.00 0.00 C ATOM 243 CG1 ILE A 17 12.565 -8.295 -13.659 1.00 0.00 C ATOM 244 CG2 ILE A 17 10.987 -6.474 -14.359 1.00 0.00 C ATOM 245 CD1 ILE A 17 11.660 -8.948 -12.639 1.00 0.00 C ATOM 0 H ILE A 17 12.625 -9.902 -15.573 1.00 0.00 H new ATOM 0 HA ILE A 17 10.098 -8.976 -14.824 1.00 0.00 H new ATOM 0 HB ILE A 17 12.539 -7.311 -15.560 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.261 -9.040 -14.045 1.00 0.00 H new ATOM 0 HG13 ILE A 17 13.161 -7.527 -13.165 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.642 -5.745 -13.883 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.491 -6.013 -15.213 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.238 -6.811 -13.643 1.00 0.00 H new ATOM 0 HD11 ILE A 17 12.263 -9.374 -11.837 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.981 -8.203 -12.225 1.00 0.00 H new ATOM 0 HD13 ILE A 17 11.083 -9.739 -13.118 1.00 0.00 H new ATOM 257 N GLN A 18 11.056 -8.184 -17.871 1.00 0.00 N ATOM 258 CA GLN A 18 10.602 -7.645 -19.147 1.00 0.00 C ATOM 259 C GLN A 18 9.360 -8.383 -19.638 1.00 0.00 C ATOM 260 O GLN A 18 8.453 -7.779 -20.212 1.00 0.00 O ATOM 261 CB GLN A 18 11.715 -7.744 -20.192 1.00 0.00 C ATOM 262 CG GLN A 18 11.257 -7.410 -21.602 1.00 0.00 C ATOM 263 CD GLN A 18 12.367 -6.824 -22.453 1.00 0.00 C ATOM 264 OE1 GLN A 18 12.766 -7.408 -23.461 1.00 0.00 O ATOM 265 NE2 GLN A 18 12.872 -5.664 -22.050 1.00 0.00 N ATOM 0 H GLN A 18 11.979 -8.618 -17.901 1.00 0.00 H new ATOM 0 HA GLN A 18 10.345 -6.596 -18.999 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.525 -7.070 -19.913 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.123 -8.755 -20.181 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.876 -8.313 -22.080 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.430 -6.702 -21.553 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.511 -5.215 -21.208 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.621 -5.221 -22.582 1.00 0.00 H new ATOM 274 N LEU A 19 9.327 -9.691 -19.410 1.00 0.00 N ATOM 275 CA LEU A 19 8.196 -10.512 -19.829 1.00 0.00 C ATOM 276 C LEU A 19 6.908 -10.051 -19.155 1.00 0.00 C ATOM 277 O LEU A 19 5.833 -10.092 -19.754 1.00 0.00 O ATOM 278 CB LEU A 19 8.459 -11.983 -19.501 1.00 0.00 C ATOM 279 CG LEU A 19 9.678 -12.614 -20.175 1.00 0.00 C ATOM 280 CD1 LEU A 19 9.847 -14.058 -19.728 1.00 0.00 C ATOM 281 CD2 LEU A 19 9.551 -12.534 -21.689 1.00 0.00 C ATOM 0 H LEU A 19 10.070 -10.206 -18.938 1.00 0.00 H new ATOM 0 HA LEU A 19 8.079 -10.402 -20.907 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.576 -12.078 -18.421 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.577 -12.560 -19.778 1.00 0.00 H new ATOM 0 HG LEU A 19 10.565 -12.056 -19.875 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.719 -14.491 -20.218 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.984 -14.091 -18.647 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.959 -14.629 -19.998 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.427 -12.988 -22.152 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.655 -13.067 -22.008 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.479 -11.490 -21.993 1.00 0.00 H new ATOM 293 N LEU A 20 7.025 -9.610 -17.908 1.00 0.00 N ATOM 294 CA LEU A 20 5.870 -9.138 -17.152 1.00 0.00 C ATOM 295 C LEU A 20 5.247 -7.915 -17.817 1.00 0.00 C ATOM 296 O LEU A 20 4.025 -7.814 -17.934 1.00 0.00 O ATOM 297 CB LEU A 20 6.278 -8.800 -15.717 1.00 0.00 C ATOM 298 CG LEU A 20 7.177 -9.820 -15.017 1.00 0.00 C ATOM 299 CD1 LEU A 20 7.456 -9.391 -13.585 1.00 0.00 C ATOM 300 CD2 LEU A 20 6.540 -11.201 -15.047 1.00 0.00 C ATOM 0 H LEU A 20 7.908 -9.569 -17.399 1.00 0.00 H new ATOM 0 HA LEU A 20 5.128 -9.936 -17.134 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.790 -7.838 -15.723 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.373 -8.675 -15.123 1.00 0.00 H new ATOM 0 HG LEU A 20 8.126 -9.868 -15.552 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.097 -10.129 -13.103 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.955 -8.422 -13.586 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.516 -9.314 -13.038 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.193 -11.914 -14.544 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.577 -11.169 -14.537 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.392 -11.511 -16.081 1.00 0.00 H new ATOM 312 N ARG A 21 6.094 -6.989 -18.253 1.00 0.00 N ATOM 313 CA ARG A 21 5.627 -5.773 -18.908 1.00 0.00 C ATOM 314 C ARG A 21 5.047 -6.086 -20.285 1.00 0.00 C ATOM 315 O ARG A 21 4.170 -5.376 -20.776 1.00 0.00 O ATOM 316 CB ARG A 21 6.772 -4.768 -19.042 1.00 0.00 C ATOM 317 CG ARG A 21 7.235 -4.192 -17.713 1.00 0.00 C ATOM 318 CD ARG A 21 6.379 -3.008 -17.291 1.00 0.00 C ATOM 319 NE ARG A 21 6.933 -2.319 -16.129 1.00 0.00 N ATOM 320 CZ ARG A 21 6.259 -1.424 -15.415 1.00 0.00 C ATOM 321 NH1 ARG A 21 5.013 -1.113 -15.742 1.00 0.00 N ATOM 322 NH2 ARG A 21 6.832 -0.840 -14.370 1.00 0.00 N ATOM 0 H ARG A 21 7.108 -7.057 -18.165 1.00 0.00 H new ATOM 0 HA ARG A 21 4.841 -5.337 -18.291 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.616 -5.254 -19.531 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.454 -3.952 -19.691 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.193 -4.965 -16.946 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.276 -3.879 -17.794 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.295 -2.307 -18.122 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.371 -3.353 -17.061 1.00 0.00 H new ATOM 0 HE ARG A 21 7.890 -2.537 -15.850 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.569 -1.561 -16.544 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.498 -0.426 -15.192 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.790 -1.078 -14.115 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.314 -0.153 -13.822 1.00 0.00 H new ATOM 336 N SER A 22 5.545 -7.152 -20.903 1.00 0.00 N ATOM 337 CA SER A 22 5.080 -7.556 -22.224 1.00 0.00 C ATOM 338 C SER A 22 3.585 -7.860 -22.205 1.00 0.00 C ATOM 339 O SER A 22 2.851 -7.484 -23.120 1.00 0.00 O ATOM 340 CB SER A 22 5.855 -8.784 -22.708 1.00 0.00 C ATOM 341 OG SER A 22 5.702 -8.966 -24.105 1.00 0.00 O ATOM 0 H SER A 22 6.271 -7.751 -20.510 1.00 0.00 H new ATOM 0 HA SER A 22 5.256 -6.729 -22.912 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.912 -8.669 -22.467 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.502 -9.671 -22.182 1.00 0.00 H new ATOM 0 HG SER A 22 6.208 -9.756 -24.389 1.00 0.00 H new ATOM 347 N HIS A 23 3.140 -8.543 -21.155 1.00 0.00 N ATOM 348 CA HIS A 23 1.732 -8.897 -21.014 1.00 0.00 C ATOM 349 C HIS A 23 0.993 -7.862 -20.172 1.00 0.00 C ATOM 350 O HIS A 23 -0.090 -8.131 -19.651 1.00 0.00 O ATOM 351 CB HIS A 23 1.593 -10.282 -20.380 1.00 0.00 C ATOM 352 CG HIS A 23 0.372 -11.025 -20.826 1.00 0.00 C ATOM 353 ND1 HIS A 23 0.163 -11.415 -22.132 1.00 0.00 N ATOM 354 CD2 HIS A 23 -0.707 -11.453 -20.130 1.00 0.00 C ATOM 355 CE1 HIS A 23 -0.993 -12.048 -22.220 1.00 0.00 C ATOM 356 NE2 HIS A 23 -1.541 -12.085 -21.019 1.00 0.00 N ATOM 0 H HIS A 23 3.734 -8.862 -20.390 1.00 0.00 H new ATOM 0 HA HIS A 23 1.286 -8.915 -22.009 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.476 -10.873 -20.621 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.567 -10.175 -19.296 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.880 -11.322 -19.072 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -1.418 -12.465 -23.121 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.438 -12.513 -20.789 1.00 0.00 H new ATOM 364 N ARG A 24 1.585 -6.680 -20.042 1.00 0.00 N ATOM 365 CA ARG A 24 0.984 -5.606 -19.261 1.00 0.00 C ATOM 366 C ARG A 24 0.683 -6.070 -17.839 1.00 0.00 C ATOM 367 O ARG A 24 -0.220 -5.550 -17.184 1.00 0.00 O ATOM 368 CB ARG A 24 -0.302 -5.117 -19.932 1.00 0.00 C ATOM 369 CG ARG A 24 -0.082 -4.536 -21.319 1.00 0.00 C ATOM 370 CD ARG A 24 0.372 -3.086 -21.250 1.00 0.00 C ATOM 371 NE ARG A 24 -0.757 -2.162 -21.172 1.00 0.00 N ATOM 372 CZ ARG A 24 -0.648 -0.852 -21.360 1.00 0.00 C ATOM 373 NH1 ARG A 24 0.532 -0.314 -21.636 1.00 0.00 N ATOM 374 NH2 ARG A 24 -1.722 -0.076 -21.273 1.00 0.00 N ATOM 0 H ARG A 24 2.481 -6.442 -20.468 1.00 0.00 H new ATOM 0 HA ARG A 24 1.697 -4.783 -19.213 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.004 -5.948 -20.003 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.767 -4.360 -19.300 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.665 -5.128 -21.848 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.006 -4.602 -21.893 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.014 -2.948 -20.380 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.972 -2.852 -22.129 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.679 -2.544 -20.962 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.359 -0.907 -21.704 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.612 0.693 -21.780 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.632 -0.486 -21.062 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.637 0.930 -21.418 1.00 0.00 H new ATOM 388 N ILE A 25 1.446 -7.051 -17.369 1.00 0.00 N ATOM 389 CA ILE A 25 1.261 -7.585 -16.025 1.00 0.00 C ATOM 390 C ILE A 25 1.252 -6.468 -14.987 1.00 0.00 C ATOM 391 O ILE A 25 1.948 -5.463 -15.133 1.00 0.00 O ATOM 392 CB ILE A 25 2.365 -8.597 -15.665 1.00 0.00 C ATOM 393 CG1 ILE A 25 2.338 -9.780 -16.634 1.00 0.00 C ATOM 394 CG2 ILE A 25 2.196 -9.076 -14.231 1.00 0.00 C ATOM 395 CD1 ILE A 25 1.117 -10.659 -16.482 1.00 0.00 C ATOM 0 H ILE A 25 2.198 -7.492 -17.899 1.00 0.00 H new ATOM 0 HA ILE A 25 0.297 -8.093 -16.016 1.00 0.00 H new ATOM 0 HB ILE A 25 3.333 -8.103 -15.751 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.379 -9.403 -17.656 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.232 -10.385 -16.481 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.983 -9.791 -13.991 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.260 -8.225 -13.553 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.224 -9.556 -14.120 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.166 -11.477 -17.201 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.085 -11.066 -15.471 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.219 -10.069 -16.664 1.00 0.00 H new ATOM 407 N LYS A 26 0.460 -6.651 -13.935 1.00 0.00 N ATOM 408 CA LYS A 26 0.362 -5.662 -12.869 1.00 0.00 C ATOM 409 C LYS A 26 1.413 -5.915 -11.793 1.00 0.00 C ATOM 410 O LYS A 26 2.312 -6.739 -11.969 1.00 0.00 O ATOM 411 CB LYS A 26 -1.036 -5.689 -12.248 1.00 0.00 C ATOM 412 CG LYS A 26 -2.125 -6.114 -13.218 1.00 0.00 C ATOM 413 CD LYS A 26 -2.165 -5.213 -14.441 1.00 0.00 C ATOM 414 CE LYS A 26 -3.535 -5.232 -15.102 1.00 0.00 C ATOM 415 NZ LYS A 26 -4.498 -4.332 -14.409 1.00 0.00 N ATOM 0 H LYS A 26 -0.124 -7.476 -13.799 1.00 0.00 H new ATOM 0 HA LYS A 26 0.542 -4.678 -13.303 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.033 -6.370 -11.397 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.272 -4.697 -11.862 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.954 -7.144 -13.530 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.092 -6.089 -12.715 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.914 -4.193 -14.151 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.410 -5.536 -15.157 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.439 -4.928 -16.144 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.924 -6.250 -15.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.419 -4.373 -14.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.609 -4.637 -13.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.139 -3.356 -14.432 1.00 0.00 H new ATOM 429 N THR A 27 1.294 -5.203 -10.677 1.00 0.00 N ATOM 430 CA THR A 27 2.233 -5.351 -9.572 1.00 0.00 C ATOM 431 C THR A 27 2.052 -6.693 -8.873 1.00 0.00 C ATOM 432 O THR A 27 1.216 -7.504 -9.270 1.00 0.00 O ATOM 433 CB THR A 27 2.068 -4.220 -8.539 1.00 0.00 C ATOM 434 OG1 THR A 27 0.679 -3.921 -8.358 1.00 0.00 O ATOM 435 CG2 THR A 27 2.808 -2.968 -8.985 1.00 0.00 C ATOM 0 H THR A 27 0.556 -4.518 -10.514 1.00 0.00 H new ATOM 0 HA THR A 27 3.234 -5.299 -9.999 1.00 0.00 H new ATOM 0 HB THR A 27 2.493 -4.556 -7.593 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.491 -3.805 -7.403 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.677 -2.183 -8.240 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.869 -3.192 -9.094 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.409 -2.631 -9.941 1.00 0.00 H new ATOM 443 N VAL A 28 2.841 -6.922 -7.828 1.00 0.00 N ATOM 444 CA VAL A 28 2.767 -8.166 -7.071 1.00 0.00 C ATOM 445 C VAL A 28 1.323 -8.514 -6.727 1.00 0.00 C ATOM 446 O VAL A 28 0.976 -9.685 -6.570 1.00 0.00 O ATOM 447 CB VAL A 28 3.587 -8.082 -5.770 1.00 0.00 C ATOM 448 CG1 VAL A 28 2.941 -7.111 -4.793 1.00 0.00 C ATOM 449 CG2 VAL A 28 3.736 -9.460 -5.144 1.00 0.00 C ATOM 0 H VAL A 28 3.539 -6.262 -7.486 1.00 0.00 H new ATOM 0 HA VAL A 28 3.186 -8.948 -7.705 1.00 0.00 H new ATOM 0 HB VAL A 28 4.582 -7.709 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.534 -7.065 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.892 -6.120 -5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.933 -7.452 -4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.318 -9.381 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.750 -9.864 -4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.247 -10.123 -5.842 1.00 0.00 H new ATOM 459 N VAL A 29 0.484 -7.490 -6.612 1.00 0.00 N ATOM 460 CA VAL A 29 -0.924 -7.687 -6.288 1.00 0.00 C ATOM 461 C VAL A 29 -1.578 -8.668 -7.255 1.00 0.00 C ATOM 462 O VAL A 29 -2.319 -9.561 -6.842 1.00 0.00 O ATOM 463 CB VAL A 29 -1.699 -6.357 -6.322 1.00 0.00 C ATOM 464 CG1 VAL A 29 -1.252 -5.449 -5.186 1.00 0.00 C ATOM 465 CG2 VAL A 29 -1.519 -5.669 -7.667 1.00 0.00 C ATOM 0 H VAL A 29 0.755 -6.515 -6.738 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.962 -8.096 -5.278 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.759 -6.572 -6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.811 -4.514 -5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.438 -5.942 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.187 -5.240 -5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.074 -4.731 -7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.461 -5.466 -7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.893 -6.317 -8.460 1.00 0.00 H new ATOM 475 N ASP A 30 -1.298 -8.497 -8.542 1.00 0.00 N ATOM 476 CA ASP A 30 -1.858 -9.369 -9.568 1.00 0.00 C ATOM 477 C ASP A 30 -1.212 -10.750 -9.520 1.00 0.00 C ATOM 478 O ASP A 30 -1.861 -11.761 -9.792 1.00 0.00 O ATOM 479 CB ASP A 30 -1.664 -8.751 -10.954 1.00 0.00 C ATOM 480 CG ASP A 30 -1.982 -9.724 -12.072 1.00 0.00 C ATOM 481 OD1 ASP A 30 -3.118 -10.241 -12.104 1.00 0.00 O ATOM 482 OD2 ASP A 30 -1.094 -9.969 -12.915 1.00 0.00 O ATOM 0 H ASP A 30 -0.687 -7.763 -8.900 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.925 -9.479 -9.373 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.302 -7.872 -11.049 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.634 -8.410 -11.055 1.00 0.00 H new ATOM 487 N LEU A 31 0.070 -10.786 -9.172 1.00 0.00 N ATOM 488 CA LEU A 31 0.804 -12.044 -9.089 1.00 0.00 C ATOM 489 C LEU A 31 0.076 -13.042 -8.194 1.00 0.00 C ATOM 490 O LEU A 31 0.082 -14.245 -8.455 1.00 0.00 O ATOM 491 CB LEU A 31 2.216 -11.798 -8.553 1.00 0.00 C ATOM 492 CG LEU A 31 3.265 -12.850 -8.918 1.00 0.00 C ATOM 493 CD1 LEU A 31 3.553 -12.821 -10.410 1.00 0.00 C ATOM 494 CD2 LEU A 31 4.542 -12.627 -8.121 1.00 0.00 C ATOM 0 H LEU A 31 0.622 -9.959 -8.943 1.00 0.00 H new ATOM 0 HA LEU A 31 0.870 -12.465 -10.092 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.558 -10.830 -8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.164 -11.728 -7.467 1.00 0.00 H new ATOM 0 HG LEU A 31 2.870 -13.834 -8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.301 -13.576 -10.651 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.636 -13.030 -10.962 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.928 -11.836 -10.689 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.278 -13.384 -8.393 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.941 -11.637 -8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.323 -12.700 -7.056 1.00 0.00 H new ATOM 506 N VAL A 32 -0.553 -12.534 -7.139 1.00 0.00 N ATOM 507 CA VAL A 32 -1.290 -13.379 -6.207 1.00 0.00 C ATOM 508 C VAL A 32 -2.314 -14.240 -6.938 1.00 0.00 C ATOM 509 O VAL A 32 -2.683 -15.317 -6.470 1.00 0.00 O ATOM 510 CB VAL A 32 -2.011 -12.539 -5.137 1.00 0.00 C ATOM 511 CG1 VAL A 32 -3.311 -11.974 -5.688 1.00 0.00 C ATOM 512 CG2 VAL A 32 -2.269 -13.373 -3.891 1.00 0.00 C ATOM 0 H VAL A 32 -0.567 -11.541 -6.908 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.559 -14.024 -5.719 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.368 -11.703 -4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.806 -11.383 -4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.097 -11.341 -6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.963 -12.792 -5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.779 -12.764 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.893 -14.229 -4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.320 -13.724 -3.485 1.00 0.00 H new ATOM 522 N SER A 33 -2.770 -13.757 -8.090 1.00 0.00 N ATOM 523 CA SER A 33 -3.755 -14.481 -8.885 1.00 0.00 C ATOM 524 C SER A 33 -3.102 -15.124 -10.105 1.00 0.00 C ATOM 525 O SER A 33 -3.605 -16.108 -10.645 1.00 0.00 O ATOM 526 CB SER A 33 -4.875 -13.538 -9.330 1.00 0.00 C ATOM 527 OG SER A 33 -6.109 -14.226 -9.436 1.00 0.00 O ATOM 0 H SER A 33 -2.473 -12.868 -8.493 1.00 0.00 H new ATOM 0 HA SER A 33 -4.179 -15.270 -8.263 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.971 -12.720 -8.616 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.619 -13.093 -10.292 1.00 0.00 H new ATOM 0 HG SER A 33 -6.808 -13.601 -9.720 1.00 0.00 H new ATOM 533 N ALA A 34 -1.979 -14.558 -10.534 1.00 0.00 N ATOM 534 CA ALA A 34 -1.255 -15.076 -11.688 1.00 0.00 C ATOM 535 C ALA A 34 -0.929 -16.555 -11.514 1.00 0.00 C ATOM 536 O ALA A 34 -1.191 -17.138 -10.461 1.00 0.00 O ATOM 537 CB ALA A 34 0.019 -14.276 -11.915 1.00 0.00 C ATOM 0 H ALA A 34 -1.551 -13.740 -10.100 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.896 -14.973 -12.563 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.549 -14.674 -12.780 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.235 -13.231 -12.094 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.656 -14.349 -11.034 1.00 0.00 H new ATOM 543 N ASP A 35 -0.357 -17.157 -12.551 1.00 0.00 N ATOM 544 CA ASP A 35 0.005 -18.569 -12.512 1.00 0.00 C ATOM 545 C ASP A 35 1.415 -18.753 -11.960 1.00 0.00 C ATOM 546 O ASP A 35 2.244 -19.438 -12.562 1.00 0.00 O ATOM 547 CB ASP A 35 -0.094 -19.182 -13.909 1.00 0.00 C ATOM 548 CG ASP A 35 -1.518 -19.216 -14.428 1.00 0.00 C ATOM 549 OD1 ASP A 35 -2.248 -20.174 -14.097 1.00 0.00 O ATOM 550 OD2 ASP A 35 -1.904 -18.283 -15.163 1.00 0.00 O ATOM 0 H ASP A 35 -0.134 -16.689 -13.429 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.694 -19.080 -11.850 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.527 -18.610 -14.598 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.306 -20.196 -13.887 1.00 0.00 H new ATOM 555 N LEU A 36 1.682 -18.137 -10.814 1.00 0.00 N ATOM 556 CA LEU A 36 2.993 -18.232 -10.182 1.00 0.00 C ATOM 557 C LEU A 36 3.334 -19.681 -9.850 1.00 0.00 C ATOM 558 O LEU A 36 4.484 -20.101 -9.972 1.00 0.00 O ATOM 559 CB LEU A 36 3.030 -17.383 -8.909 1.00 0.00 C ATOM 560 CG LEU A 36 4.409 -16.886 -8.474 1.00 0.00 C ATOM 561 CD1 LEU A 36 5.303 -18.057 -8.095 1.00 0.00 C ATOM 562 CD2 LEU A 36 5.050 -16.058 -9.577 1.00 0.00 C ATOM 0 H LEU A 36 1.008 -17.566 -10.303 1.00 0.00 H new ATOM 0 HA LEU A 36 3.736 -17.855 -10.885 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.383 -16.518 -9.054 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.603 -17.967 -8.094 1.00 0.00 H new ATOM 0 HG LEU A 36 4.285 -16.251 -7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.280 -17.684 -7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.850 -18.609 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.420 -18.718 -8.954 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.031 -15.713 -9.250 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.161 -16.669 -10.473 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.419 -15.198 -9.800 1.00 0.00 H new ATOM 574 N GLU A 37 2.326 -20.440 -9.432 1.00 0.00 N ATOM 575 CA GLU A 37 2.520 -21.843 -9.084 1.00 0.00 C ATOM 576 C GLU A 37 3.041 -22.633 -10.281 1.00 0.00 C ATOM 577 O GLU A 37 3.960 -23.441 -10.151 1.00 0.00 O ATOM 578 CB GLU A 37 1.209 -22.454 -8.587 1.00 0.00 C ATOM 579 CG GLU A 37 0.055 -22.297 -9.563 1.00 0.00 C ATOM 580 CD GLU A 37 -1.299 -22.417 -8.891 1.00 0.00 C ATOM 581 OE1 GLU A 37 -1.447 -23.290 -8.010 1.00 0.00 O ATOM 582 OE2 GLU A 37 -2.209 -21.640 -9.246 1.00 0.00 O ATOM 0 H GLU A 37 1.368 -20.107 -9.326 1.00 0.00 H new ATOM 0 HA GLU A 37 3.261 -21.894 -8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.364 -23.515 -8.389 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.938 -21.989 -7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.128 -21.326 -10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.138 -23.054 -10.342 1.00 0.00 H new ATOM 589 N GLU A 38 2.446 -22.393 -11.445 1.00 0.00 N ATOM 590 CA GLU A 38 2.849 -23.083 -12.665 1.00 0.00 C ATOM 591 C GLU A 38 4.168 -22.528 -13.194 1.00 0.00 C ATOM 592 O GLU A 38 5.086 -23.280 -13.517 1.00 0.00 O ATOM 593 CB GLU A 38 1.762 -22.953 -13.734 1.00 0.00 C ATOM 594 CG GLU A 38 0.428 -23.554 -13.323 1.00 0.00 C ATOM 595 CD GLU A 38 0.540 -25.019 -12.948 1.00 0.00 C ATOM 596 OE1 GLU A 38 0.798 -25.844 -13.850 1.00 0.00 O ATOM 597 OE2 GLU A 38 0.369 -25.341 -11.754 1.00 0.00 O ATOM 0 H GLU A 38 1.684 -21.727 -11.569 1.00 0.00 H new ATOM 0 HA GLU A 38 2.989 -24.137 -12.426 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.619 -21.898 -13.968 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.103 -23.439 -14.648 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.027 -22.996 -12.477 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.283 -23.446 -14.142 1.00 0.00 H new ATOM 604 N VAL A 39 4.253 -21.204 -13.281 1.00 0.00 N ATOM 605 CA VAL A 39 5.458 -20.546 -13.770 1.00 0.00 C ATOM 606 C VAL A 39 6.673 -20.931 -12.933 1.00 0.00 C ATOM 607 O VAL A 39 7.761 -21.152 -13.465 1.00 0.00 O ATOM 608 CB VAL A 39 5.305 -19.013 -13.759 1.00 0.00 C ATOM 609 CG1 VAL A 39 6.583 -18.345 -14.243 1.00 0.00 C ATOM 610 CG2 VAL A 39 4.118 -18.590 -14.610 1.00 0.00 C ATOM 0 H VAL A 39 3.501 -20.566 -13.019 1.00 0.00 H new ATOM 0 HA VAL A 39 5.607 -20.881 -14.796 1.00 0.00 H new ATOM 0 HB VAL A 39 5.121 -18.691 -12.734 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.456 -17.263 -14.228 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.409 -18.622 -13.588 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.801 -18.671 -15.260 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.025 -17.504 -14.591 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.269 -18.923 -15.637 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.207 -19.039 -14.213 1.00 0.00 H new ATOM 620 N ALA A 40 6.479 -21.010 -11.621 1.00 0.00 N ATOM 621 CA ALA A 40 7.558 -21.371 -10.710 1.00 0.00 C ATOM 622 C ALA A 40 8.031 -22.800 -10.957 1.00 0.00 C ATOM 623 O ALA A 40 9.218 -23.099 -10.839 1.00 0.00 O ATOM 624 CB ALA A 40 7.108 -21.204 -9.266 1.00 0.00 C ATOM 0 H ALA A 40 5.585 -20.829 -11.165 1.00 0.00 H new ATOM 0 HA ALA A 40 8.397 -20.701 -10.897 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.924 -21.477 -8.597 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.827 -20.166 -9.090 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.251 -21.849 -9.075 1.00 0.00 H new ATOM 630 N GLN A 41 7.093 -23.677 -11.300 1.00 0.00 N ATOM 631 CA GLN A 41 7.415 -25.075 -11.562 1.00 0.00 C ATOM 632 C GLN A 41 8.243 -25.213 -12.835 1.00 0.00 C ATOM 633 O GLN A 41 9.267 -25.896 -12.851 1.00 0.00 O ATOM 634 CB GLN A 41 6.133 -25.901 -11.681 1.00 0.00 C ATOM 635 CG GLN A 41 5.814 -26.711 -10.434 1.00 0.00 C ATOM 636 CD GLN A 41 6.574 -28.021 -10.379 1.00 0.00 C ATOM 637 OE1 GLN A 41 6.905 -28.605 -11.412 1.00 0.00 O ATOM 638 NE2 GLN A 41 6.857 -28.491 -9.169 1.00 0.00 N ATOM 0 H GLN A 41 6.105 -23.445 -11.403 1.00 0.00 H new ATOM 0 HA GLN A 41 8.004 -25.450 -10.725 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.298 -25.233 -11.894 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.224 -26.578 -12.531 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.053 -26.119 -9.550 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.744 -26.915 -10.402 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.564 -27.975 -8.340 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.368 -29.368 -9.069 1.00 0.00 H new ATOM 647 N LYS A 42 7.792 -24.562 -13.902 1.00 0.00 N ATOM 648 CA LYS A 42 8.491 -24.610 -15.181 1.00 0.00 C ATOM 649 C LYS A 42 9.819 -23.863 -15.104 1.00 0.00 C ATOM 650 O LYS A 42 10.850 -24.363 -15.555 1.00 0.00 O ATOM 651 CB LYS A 42 7.619 -24.010 -16.285 1.00 0.00 C ATOM 652 CG LYS A 42 6.268 -24.690 -16.431 1.00 0.00 C ATOM 653 CD LYS A 42 5.484 -24.126 -17.604 1.00 0.00 C ATOM 654 CE LYS A 42 4.813 -22.809 -17.244 1.00 0.00 C ATOM 655 NZ LYS A 42 4.256 -22.124 -18.444 1.00 0.00 N ATOM 0 H LYS A 42 6.945 -23.994 -13.906 1.00 0.00 H new ATOM 0 HA LYS A 42 8.695 -25.655 -15.416 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.463 -22.951 -16.078 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.153 -24.074 -17.233 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.412 -25.761 -16.570 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.694 -24.562 -15.513 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.153 -23.975 -18.451 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.729 -24.846 -17.918 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.013 -22.993 -16.527 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.535 -22.155 -16.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.807 -21.231 -18.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.023 -21.925 -19.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.548 -22.737 -18.896 1.00 0.00 H new ATOM 669 N CYS A 43 9.786 -22.666 -14.529 1.00 0.00 N ATOM 670 CA CYS A 43 10.988 -21.851 -14.393 1.00 0.00 C ATOM 671 C CYS A 43 11.960 -22.477 -13.398 1.00 0.00 C ATOM 672 O CYS A 43 13.168 -22.258 -13.474 1.00 0.00 O ATOM 673 CB CYS A 43 10.620 -20.436 -13.943 1.00 0.00 C ATOM 674 SG CYS A 43 9.797 -19.448 -15.214 1.00 0.00 S ATOM 0 H CYS A 43 8.941 -22.239 -14.150 1.00 0.00 H new ATOM 0 HA CYS A 43 11.476 -21.801 -15.367 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.969 -20.501 -13.071 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.526 -19.920 -13.627 1.00 0.00 H new ATOM 0 HG CYS A 43 9.524 -18.269 -14.738 1.00 0.00 H new ATOM 680 N GLY A 44 11.423 -23.257 -12.465 1.00 0.00 N ATOM 681 CA GLY A 44 12.257 -23.901 -11.467 1.00 0.00 C ATOM 682 C GLY A 44 12.560 -22.994 -10.291 1.00 0.00 C ATOM 683 O GLY A 44 13.619 -23.101 -9.672 1.00 0.00 O ATOM 0 H GLY A 44 10.426 -23.454 -12.382 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.759 -24.802 -11.108 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.193 -24.217 -11.929 1.00 0.00 H new ATOM 687 N LEU A 45 11.629 -22.099 -9.981 1.00 0.00 N ATOM 688 CA LEU A 45 11.801 -21.168 -8.872 1.00 0.00 C ATOM 689 C LEU A 45 11.234 -21.749 -7.580 1.00 0.00 C ATOM 690 O LEU A 45 10.609 -22.809 -7.587 1.00 0.00 O ATOM 691 CB LEU A 45 11.119 -19.835 -9.187 1.00 0.00 C ATOM 692 CG LEU A 45 11.596 -19.120 -10.452 1.00 0.00 C ATOM 693 CD1 LEU A 45 10.618 -18.024 -10.846 1.00 0.00 C ATOM 694 CD2 LEU A 45 12.990 -18.545 -10.246 1.00 0.00 C ATOM 0 H LEU A 45 10.747 -21.998 -10.483 1.00 0.00 H new ATOM 0 HA LEU A 45 12.869 -20.999 -8.735 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.047 -20.010 -9.275 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.264 -19.166 -8.339 1.00 0.00 H new ATOM 0 HG LEU A 45 11.641 -19.847 -11.263 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.974 -17.526 -11.748 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.638 -18.462 -11.036 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.541 -17.297 -10.037 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.313 -18.040 -11.156 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.971 -17.832 -9.422 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.685 -19.351 -10.012 1.00 0.00 H new ATOM 706 N SER A 46 11.456 -21.046 -6.474 1.00 0.00 N ATOM 707 CA SER A 46 10.968 -21.492 -5.174 1.00 0.00 C ATOM 708 C SER A 46 9.598 -20.893 -4.873 1.00 0.00 C ATOM 709 O SER A 46 9.479 -19.703 -4.583 1.00 0.00 O ATOM 710 CB SER A 46 11.959 -21.107 -4.074 1.00 0.00 C ATOM 711 OG SER A 46 13.296 -21.206 -4.535 1.00 0.00 O ATOM 0 H SER A 46 11.970 -20.166 -6.452 1.00 0.00 H new ATOM 0 HA SER A 46 10.872 -22.577 -5.203 1.00 0.00 H new ATOM 0 HB2 SER A 46 11.760 -20.088 -3.741 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.820 -21.757 -3.210 1.00 0.00 H new ATOM 0 HG SER A 46 13.910 -20.953 -3.814 1.00 0.00 H new ATOM 717 N TYR A 47 8.567 -21.727 -4.942 1.00 0.00 N ATOM 718 CA TYR A 47 7.204 -21.281 -4.680 1.00 0.00 C ATOM 719 C TYR A 47 7.059 -20.791 -3.242 1.00 0.00 C ATOM 720 O TYR A 47 6.198 -19.964 -2.939 1.00 0.00 O ATOM 721 CB TYR A 47 6.213 -22.416 -4.946 1.00 0.00 C ATOM 722 CG TYR A 47 4.776 -22.044 -4.659 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.060 -21.232 -5.530 1.00 0.00 C ATOM 724 CD2 TYR A 47 4.133 -22.505 -3.516 1.00 0.00 C ATOM 725 CE1 TYR A 47 2.747 -20.889 -5.272 1.00 0.00 C ATOM 726 CE2 TYR A 47 2.820 -22.168 -3.250 1.00 0.00 C ATOM 727 CZ TYR A 47 2.131 -21.360 -4.131 1.00 0.00 C ATOM 728 OH TYR A 47 0.823 -21.022 -3.869 1.00 0.00 O ATOM 0 H TYR A 47 8.649 -22.716 -5.177 1.00 0.00 H new ATOM 0 HA TYR A 47 6.985 -20.451 -5.352 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.298 -22.725 -5.988 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.486 -23.276 -4.335 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.539 -20.862 -6.425 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.669 -23.138 -2.824 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.206 -20.256 -5.959 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.335 -22.535 -2.357 1.00 0.00 H new ATOM 0 HH TYR A 47 0.540 -21.437 -3.027 1.00 0.00 H new ATOM 738 N LYS A 48 7.907 -21.307 -2.360 1.00 0.00 N ATOM 739 CA LYS A 48 7.878 -20.922 -0.954 1.00 0.00 C ATOM 740 C LYS A 48 8.040 -19.414 -0.799 1.00 0.00 C ATOM 741 O LYS A 48 7.422 -18.799 0.070 1.00 0.00 O ATOM 742 CB LYS A 48 8.983 -21.647 -0.182 1.00 0.00 C ATOM 743 CG LYS A 48 8.895 -23.161 -0.270 1.00 0.00 C ATOM 744 CD LYS A 48 7.897 -23.720 0.730 1.00 0.00 C ATOM 745 CE LYS A 48 6.480 -23.694 0.179 1.00 0.00 C ATOM 746 NZ LYS A 48 5.662 -24.824 0.699 1.00 0.00 N ATOM 0 H LYS A 48 8.624 -21.994 -2.594 1.00 0.00 H new ATOM 0 HA LYS A 48 6.909 -21.209 -0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.952 -21.325 -0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.938 -21.349 0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.602 -23.451 -1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.878 -23.595 -0.086 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.171 -24.744 0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.941 -23.140 1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.005 -22.750 0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.513 -23.740 -0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.703 -24.771 0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.102 -25.726 0.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.609 -24.766 1.736 1.00 0.00 H new ATOM 760 N ALA A 49 8.875 -18.823 -1.647 1.00 0.00 N ATOM 761 CA ALA A 49 9.115 -17.385 -1.606 1.00 0.00 C ATOM 762 C ALA A 49 7.817 -16.606 -1.789 1.00 0.00 C ATOM 763 O ALA A 49 7.692 -15.471 -1.328 1.00 0.00 O ATOM 764 CB ALA A 49 10.126 -16.989 -2.672 1.00 0.00 C ATOM 0 H ALA A 49 9.397 -19.317 -2.371 1.00 0.00 H new ATOM 0 HA ALA A 49 9.521 -17.137 -0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.296 -15.913 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.066 -17.512 -2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.742 -17.258 -3.656 1.00 0.00 H new ATOM 770 N LEU A 50 6.854 -17.222 -2.466 1.00 0.00 N ATOM 771 CA LEU A 50 5.564 -16.585 -2.711 1.00 0.00 C ATOM 772 C LEU A 50 4.733 -16.530 -1.433 1.00 0.00 C ATOM 773 O LEU A 50 4.257 -15.467 -1.035 1.00 0.00 O ATOM 774 CB LEU A 50 4.799 -17.341 -3.798 1.00 0.00 C ATOM 775 CG LEU A 50 3.863 -16.500 -4.668 1.00 0.00 C ATOM 776 CD1 LEU A 50 3.070 -17.389 -5.613 1.00 0.00 C ATOM 777 CD2 LEU A 50 2.927 -15.673 -3.799 1.00 0.00 C ATOM 0 H LEU A 50 6.942 -18.161 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 50 5.748 -15.565 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.522 -17.833 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.212 -18.127 -3.322 1.00 0.00 H new ATOM 0 HG LEU A 50 4.468 -15.819 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.410 -16.773 -6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.756 -17.937 -6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.475 -18.095 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.268 -15.081 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.329 -16.337 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.513 -15.008 -3.164 1.00 0.00 H new ATOM 789 N VAL A 51 4.564 -17.683 -0.793 1.00 0.00 N ATOM 790 CA VAL A 51 3.793 -17.765 0.442 1.00 0.00 C ATOM 791 C VAL A 51 4.510 -17.057 1.586 1.00 0.00 C ATOM 792 O VAL A 51 3.879 -16.423 2.431 1.00 0.00 O ATOM 793 CB VAL A 51 3.530 -19.229 0.843 1.00 0.00 C ATOM 794 CG1 VAL A 51 4.842 -19.983 1.003 1.00 0.00 C ATOM 795 CG2 VAL A 51 2.711 -19.292 2.123 1.00 0.00 C ATOM 0 H VAL A 51 4.950 -18.572 -1.109 1.00 0.00 H new ATOM 0 HA VAL A 51 2.840 -17.271 0.254 1.00 0.00 H new ATOM 0 HB VAL A 51 2.958 -19.708 0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.636 -21.015 1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.388 -19.968 0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.443 -19.507 1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.535 -20.334 2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.255 -18.797 2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.756 -18.790 1.969 1.00 0.00 H new ATOM 805 N ALA A 52 5.834 -17.171 1.607 1.00 0.00 N ATOM 806 CA ALA A 52 6.639 -16.539 2.646 1.00 0.00 C ATOM 807 C ALA A 52 6.539 -15.020 2.570 1.00 0.00 C ATOM 808 O ALA A 52 6.484 -14.339 3.595 1.00 0.00 O ATOM 809 CB ALA A 52 8.090 -16.982 2.532 1.00 0.00 C ATOM 0 H ALA A 52 6.372 -17.695 0.917 1.00 0.00 H new ATOM 0 HA ALA A 52 6.250 -16.854 3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.679 -16.503 3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.150 -18.064 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.482 -16.697 1.556 1.00 0.00 H new ATOM 815 N LEU A 53 6.518 -14.493 1.351 1.00 0.00 N ATOM 816 CA LEU A 53 6.426 -13.053 1.141 1.00 0.00 C ATOM 817 C LEU A 53 5.046 -12.533 1.531 1.00 0.00 C ATOM 818 O LEU A 53 4.924 -11.490 2.175 1.00 0.00 O ATOM 819 CB LEU A 53 6.717 -12.711 -0.322 1.00 0.00 C ATOM 820 CG LEU A 53 8.193 -12.634 -0.712 1.00 0.00 C ATOM 821 CD1 LEU A 53 8.344 -12.594 -2.225 1.00 0.00 C ATOM 822 CD2 LEU A 53 8.850 -11.417 -0.077 1.00 0.00 C ATOM 0 H LEU A 53 6.563 -15.042 0.492 1.00 0.00 H new ATOM 0 HA LEU A 53 7.169 -12.570 1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.234 -13.458 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.251 -11.752 -0.550 1.00 0.00 H new ATOM 0 HG LEU A 53 8.694 -13.528 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.401 -12.539 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.911 -13.496 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.828 -11.718 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.900 -11.378 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.347 -10.512 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.774 -11.487 1.008 1.00 0.00 H new ATOM 834 N ARG A 54 4.010 -13.267 1.140 1.00 0.00 N ATOM 835 CA ARG A 54 2.639 -12.880 1.450 1.00 0.00 C ATOM 836 C ARG A 54 2.432 -12.775 2.958 1.00 0.00 C ATOM 837 O ARG A 54 1.866 -11.799 3.451 1.00 0.00 O ATOM 838 CB ARG A 54 1.655 -13.892 0.859 1.00 0.00 C ATOM 839 CG ARG A 54 1.358 -13.662 -0.614 1.00 0.00 C ATOM 840 CD ARG A 54 -0.122 -13.832 -0.917 1.00 0.00 C ATOM 841 NE ARG A 54 -0.657 -15.072 -0.358 1.00 0.00 N ATOM 842 CZ ARG A 54 -0.495 -16.262 -0.924 1.00 0.00 C ATOM 843 NH1 ARG A 54 0.182 -16.375 -2.059 1.00 0.00 N ATOM 844 NH2 ARG A 54 -1.011 -17.344 -0.355 1.00 0.00 N ATOM 0 H ARG A 54 4.094 -14.133 0.608 1.00 0.00 H new ATOM 0 HA ARG A 54 2.455 -11.902 1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.059 -14.896 0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.722 -13.849 1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.676 -12.659 -0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.937 -14.362 -1.217 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.675 -12.984 -0.512 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.274 -13.826 -1.996 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.183 -15.020 0.514 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.580 -15.546 -2.500 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.304 -17.291 -2.491 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.532 -17.262 0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.886 -18.258 -0.790 1.00 0.00 H new ATOM 858 N ARG A 55 2.892 -13.788 3.686 1.00 0.00 N ATOM 859 CA ARG A 55 2.755 -13.810 5.137 1.00 0.00 C ATOM 860 C ARG A 55 3.420 -12.589 5.765 1.00 0.00 C ATOM 861 O ARG A 55 2.906 -12.012 6.723 1.00 0.00 O ATOM 862 CB ARG A 55 3.371 -15.089 5.709 1.00 0.00 C ATOM 863 CG ARG A 55 3.040 -15.321 7.174 1.00 0.00 C ATOM 864 CD ARG A 55 3.206 -16.784 7.558 1.00 0.00 C ATOM 865 NE ARG A 55 3.306 -16.962 9.004 1.00 0.00 N ATOM 866 CZ ARG A 55 3.168 -18.136 9.610 1.00 0.00 C ATOM 867 NH1 ARG A 55 2.927 -19.229 8.900 1.00 0.00 N ATOM 868 NH2 ARG A 55 3.273 -18.218 10.931 1.00 0.00 N ATOM 0 H ARG A 55 3.363 -14.604 3.294 1.00 0.00 H new ATOM 0 HA ARG A 55 1.692 -13.787 5.377 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.022 -15.942 5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.454 -15.045 5.592 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.688 -14.704 7.797 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.015 -15.006 7.371 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.359 -17.356 7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.100 -17.185 7.081 1.00 0.00 H new ATOM 0 HE ARG A 55 3.492 -16.141 9.580 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.847 -19.170 7.885 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.822 -20.129 9.369 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.460 -17.379 11.481 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.167 -19.120 11.396 1.00 0.00 H new ATOM 882 N VAL A 56 4.568 -12.200 5.218 1.00 0.00 N ATOM 883 CA VAL A 56 5.303 -11.047 5.723 1.00 0.00 C ATOM 884 C VAL A 56 4.556 -9.749 5.436 1.00 0.00 C ATOM 885 O VAL A 56 4.526 -8.840 6.266 1.00 0.00 O ATOM 886 CB VAL A 56 6.711 -10.964 5.104 1.00 0.00 C ATOM 887 CG1 VAL A 56 7.451 -9.739 5.622 1.00 0.00 C ATOM 888 CG2 VAL A 56 7.497 -12.234 5.396 1.00 0.00 C ATOM 0 H VAL A 56 5.009 -12.667 4.425 1.00 0.00 H new ATOM 0 HA VAL A 56 5.395 -11.178 6.801 1.00 0.00 H new ATOM 0 HB VAL A 56 6.609 -10.867 4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.444 -9.697 5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.895 -8.839 5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.545 -9.802 6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.489 -12.158 4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.591 -12.364 6.474 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.974 -13.091 4.972 1.00 0.00 H new ATOM 898 N LEU A 57 3.954 -9.670 4.254 1.00 0.00 N ATOM 899 CA LEU A 57 3.205 -8.483 3.856 1.00 0.00 C ATOM 900 C LEU A 57 1.988 -8.280 4.753 1.00 0.00 C ATOM 901 O LEU A 57 1.738 -7.176 5.237 1.00 0.00 O ATOM 902 CB LEU A 57 2.763 -8.601 2.396 1.00 0.00 C ATOM 903 CG LEU A 57 3.473 -7.680 1.403 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.898 -8.154 1.160 1.00 0.00 C ATOM 905 CD2 LEU A 57 2.701 -7.611 0.094 1.00 0.00 C ATOM 0 H LEU A 57 3.970 -10.413 3.555 1.00 0.00 H new ATOM 0 HA LEU A 57 3.860 -7.618 3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.911 -9.632 2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.693 -8.402 2.344 1.00 0.00 H new ATOM 0 HG LEU A 57 3.513 -6.678 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.388 -7.487 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.448 -8.150 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.881 -9.165 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.221 -6.951 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.628 -8.609 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.700 -7.223 0.282 1.00 0.00 H new ATOM 917 N LEU A 58 1.236 -9.353 4.972 1.00 0.00 N ATOM 918 CA LEU A 58 0.046 -9.294 5.813 1.00 0.00 C ATOM 919 C LEU A 58 0.425 -9.151 7.284 1.00 0.00 C ATOM 920 O LEU A 58 -0.280 -8.502 8.056 1.00 0.00 O ATOM 921 CB LEU A 58 -0.806 -10.549 5.614 1.00 0.00 C ATOM 922 CG LEU A 58 -0.097 -11.884 5.840 1.00 0.00 C ATOM 923 CD1 LEU A 58 -0.144 -12.271 7.311 1.00 0.00 C ATOM 924 CD2 LEU A 58 -0.723 -12.973 4.981 1.00 0.00 C ATOM 0 H LEU A 58 1.429 -10.274 4.579 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.533 -8.419 5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.660 -10.495 6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.202 -10.538 4.598 1.00 0.00 H new ATOM 0 HG LEU A 58 0.947 -11.773 5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.366 -13.224 7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.351 -11.503 7.905 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.182 -12.364 7.630 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.205 -13.916 5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.775 -13.083 5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.637 -12.701 3.929 1.00 0.00 H new ATOM 936 N ALA A 59 1.543 -9.760 7.663 1.00 0.00 N ATOM 937 CA ALA A 59 2.019 -9.697 9.039 1.00 0.00 C ATOM 938 C ALA A 59 2.310 -8.259 9.454 1.00 0.00 C ATOM 939 O ALA A 59 1.868 -7.808 10.511 1.00 0.00 O ATOM 940 CB ALA A 59 3.261 -10.559 9.209 1.00 0.00 C ATOM 0 H ALA A 59 2.137 -10.303 7.036 1.00 0.00 H new ATOM 0 HA ALA A 59 1.232 -10.082 9.687 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.605 -10.502 10.242 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.022 -11.594 8.963 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.047 -10.200 8.545 1.00 0.00 H new ATOM 946 N GLN A 60 3.055 -7.546 8.617 1.00 0.00 N ATOM 947 CA GLN A 60 3.405 -6.159 8.899 1.00 0.00 C ATOM 948 C GLN A 60 2.174 -5.262 8.832 1.00 0.00 C ATOM 949 O GLN A 60 2.017 -4.344 9.638 1.00 0.00 O ATOM 950 CB GLN A 60 4.464 -5.667 7.909 1.00 0.00 C ATOM 951 CG GLN A 60 5.812 -6.350 8.071 1.00 0.00 C ATOM 952 CD GLN A 60 6.967 -5.474 7.628 1.00 0.00 C ATOM 953 OE1 GLN A 60 6.773 -4.324 7.234 1.00 0.00 O ATOM 954 NE2 GLN A 60 8.178 -6.015 7.690 1.00 0.00 N ATOM 0 H GLN A 60 3.428 -7.905 7.738 1.00 0.00 H new ATOM 0 HA GLN A 60 3.812 -6.111 9.909 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.103 -5.830 6.893 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.594 -4.592 8.033 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.951 -6.627 9.116 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.819 -7.274 7.492 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.292 -6.972 8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.994 -5.473 7.405 1.00 0.00 H new ATOM 963 N PHE A 61 1.303 -5.532 7.866 1.00 0.00 N ATOM 964 CA PHE A 61 0.085 -4.749 7.693 1.00 0.00 C ATOM 965 C PHE A 61 -0.802 -4.842 8.931 1.00 0.00 C ATOM 966 O PHE A 61 -1.577 -3.931 9.223 1.00 0.00 O ATOM 967 CB PHE A 61 -0.686 -5.229 6.462 1.00 0.00 C ATOM 968 CG PHE A 61 -1.921 -4.424 6.176 1.00 0.00 C ATOM 969 CD1 PHE A 61 -1.836 -3.063 5.931 1.00 0.00 C ATOM 970 CD2 PHE A 61 -3.168 -5.029 6.151 1.00 0.00 C ATOM 971 CE1 PHE A 61 -2.971 -2.320 5.668 1.00 0.00 C ATOM 972 CE2 PHE A 61 -4.307 -4.291 5.888 1.00 0.00 C ATOM 973 CZ PHE A 61 -4.208 -2.935 5.646 1.00 0.00 C ATOM 0 H PHE A 61 1.418 -6.288 7.190 1.00 0.00 H new ATOM 0 HA PHE A 61 0.371 -3.707 7.550 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.028 -5.191 5.594 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.967 -6.273 6.603 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.872 -2.577 5.946 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.251 -6.089 6.339 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.891 -1.260 5.480 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.273 -4.774 5.872 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.096 -2.356 5.440 1.00 0.00 H new