USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 571 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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.346 K(o=-0.35,f=-11!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.029) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 58:sc= -3.61! USER MOD Single : A 50 THR OG1 : rot -79:sc= 0.951 USER MOD Single : A 57 THR OG1 : rot -60:sc= -2.44! USER MOD Single : A 58 GLN : amide:sc= -0.0684 X(o=-0.068,f=-0.4) USER MOD Single : A 62 ASN : amide:sc= 0.212! C(o=0.21!,f=-9.2!) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0441) USER MOD Single : A 64 SER OG : rot 180:sc= -4.23! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0121 K(o=-0.012,f=-0.94) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 11.012 8.944 -6.546 1.00 0.00 N ATOM 57 CA VAL A 5 9.536 8.945 -6.753 1.00 0.00 C ATOM 58 C VAL A 5 9.177 7.877 -7.788 1.00 0.00 C ATOM 59 O VAL A 5 9.891 7.667 -8.748 1.00 0.00 O ATOM 60 CB VAL A 5 9.098 10.323 -7.252 1.00 0.00 C ATOM 61 CG1 VAL A 5 7.627 10.550 -6.905 1.00 0.00 C ATOM 62 CG2 VAL A 5 9.947 11.400 -6.571 1.00 0.00 C ATOM 0 HA VAL A 5 9.026 8.725 -5.815 1.00 0.00 H new ATOM 0 HB VAL A 5 9.230 10.376 -8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.317 11.532 -7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.018 9.782 -7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.496 10.498 -5.824 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.638 12.384 -6.924 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.810 11.342 -5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.998 11.241 -6.813 1.00 0.00 H new ATOM 72 N SER A 6 8.085 7.187 -7.596 1.00 0.00 N ATOM 73 CA SER A 6 7.708 6.120 -8.570 1.00 0.00 C ATOM 74 C SER A 6 6.629 6.613 -9.530 1.00 0.00 C ATOM 75 O SER A 6 5.504 6.870 -9.142 1.00 0.00 O ATOM 76 CB SER A 6 7.160 4.902 -7.822 1.00 0.00 C ATOM 77 OG SER A 6 7.883 4.725 -6.612 1.00 0.00 O ATOM 0 H SER A 6 7.442 7.313 -6.814 1.00 0.00 H new ATOM 0 HA SER A 6 8.602 5.854 -9.133 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.100 5.040 -7.608 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.247 4.011 -8.444 1.00 0.00 H new ATOM 0 HG SER A 6 7.531 3.946 -6.132 1.00 0.00 H new ATOM 83 N LYS A 7 6.949 6.690 -10.791 1.00 0.00 N ATOM 84 CA LYS A 7 5.934 7.096 -11.791 1.00 0.00 C ATOM 85 C LYS A 7 5.172 5.828 -12.168 1.00 0.00 C ATOM 86 O LYS A 7 5.648 5.011 -12.934 1.00 0.00 O ATOM 87 CB LYS A 7 6.624 7.679 -13.028 1.00 0.00 C ATOM 88 CG LYS A 7 5.611 8.470 -13.856 1.00 0.00 C ATOM 89 CD LYS A 7 5.786 9.965 -13.582 1.00 0.00 C ATOM 90 CE LYS A 7 4.803 10.760 -14.444 1.00 0.00 C ATOM 91 NZ LYS A 7 3.665 11.223 -13.600 1.00 0.00 N ATOM 0 H LYS A 7 7.874 6.488 -11.170 1.00 0.00 H new ATOM 0 HA LYS A 7 5.264 7.858 -11.392 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.447 8.327 -12.726 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.053 6.877 -13.629 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.753 8.265 -14.917 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.597 8.159 -13.604 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.613 10.175 -12.527 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.809 10.269 -13.804 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.307 11.615 -14.895 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.435 10.140 -15.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.996 11.763 -14.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.179 10.400 -13.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.024 11.829 -12.835 1.00 0.00 H new ATOM 105 N LEU A 8 4.022 5.623 -11.590 1.00 0.00 N ATOM 106 CA LEU A 8 3.275 4.373 -11.873 1.00 0.00 C ATOM 107 C LEU A 8 2.206 4.577 -12.935 1.00 0.00 C ATOM 108 O LEU A 8 1.316 5.395 -12.805 1.00 0.00 O ATOM 109 CB LEU A 8 2.590 3.895 -10.589 1.00 0.00 C ATOM 110 CG LEU A 8 3.396 2.757 -9.955 1.00 0.00 C ATOM 111 CD1 LEU A 8 2.610 2.123 -8.801 1.00 0.00 C ATOM 112 CD2 LEU A 8 3.655 1.672 -11.000 1.00 0.00 C ATOM 0 H LEU A 8 3.571 6.265 -10.938 1.00 0.00 H new ATOM 0 HA LEU A 8 3.991 3.637 -12.239 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.500 4.723 -9.886 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.579 3.555 -10.812 1.00 0.00 H new ATOM 0 HG LEU A 8 4.334 3.168 -9.583 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.196 1.316 -8.361 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.405 2.878 -8.042 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.669 1.723 -9.178 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.229 0.862 -10.549 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.704 1.284 -11.365 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.217 2.095 -11.832 1.00 0.00 H new ATOM 124 N ARG A 9 2.256 3.770 -13.952 1.00 0.00 N ATOM 125 CA ARG A 9 1.218 3.817 -15.005 1.00 0.00 C ATOM 126 C ARG A 9 0.453 2.512 -14.852 1.00 0.00 C ATOM 127 O ARG A 9 0.940 1.452 -15.190 1.00 0.00 O ATOM 128 CB ARG A 9 1.871 3.890 -16.389 1.00 0.00 C ATOM 129 CG ARG A 9 0.810 3.673 -17.469 1.00 0.00 C ATOM 130 CD ARG A 9 1.366 4.111 -18.824 1.00 0.00 C ATOM 131 NE ARG A 9 1.603 2.912 -19.675 1.00 0.00 N ATOM 132 CZ ARG A 9 2.135 3.046 -20.859 1.00 0.00 C ATOM 133 NH1 ARG A 9 1.410 2.852 -21.926 1.00 0.00 N ATOM 134 NH2 ARG A 9 3.393 3.374 -20.974 1.00 0.00 N ATOM 0 H ARG A 9 2.984 3.070 -14.098 1.00 0.00 H new ATOM 0 HA ARG A 9 0.571 4.689 -14.911 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.350 4.859 -16.525 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.651 3.134 -16.474 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.521 2.623 -17.505 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.088 4.243 -17.231 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.665 4.786 -19.315 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.296 4.662 -18.686 1.00 0.00 H new ATOM 0 HE ARG A 9 1.349 1.985 -19.332 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.427 2.596 -21.835 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.826 2.957 -22.851 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.959 3.525 -20.139 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.810 3.479 -21.899 1.00 0.00 H new ATOM 148 N ILE A 10 -0.713 2.564 -14.279 1.00 0.00 N ATOM 149 CA ILE A 10 -1.460 1.306 -14.036 1.00 0.00 C ATOM 150 C ILE A 10 -2.592 1.166 -15.058 1.00 0.00 C ATOM 151 O ILE A 10 -3.393 2.049 -15.233 1.00 0.00 O ATOM 152 CB ILE A 10 -2.008 1.337 -12.600 1.00 0.00 C ATOM 153 CG1 ILE A 10 -0.982 2.008 -11.663 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.260 -0.089 -12.106 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.723 2.705 -10.526 1.00 0.00 C ATOM 0 H ILE A 10 -1.178 3.418 -13.970 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.803 0.444 -14.150 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.941 1.900 -12.596 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.295 1.262 -11.262 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.382 2.729 -12.218 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.648 -0.058 -11.088 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.986 -0.576 -12.757 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.325 -0.650 -12.121 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.003 3.181 -9.860 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.392 3.461 -10.937 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.304 1.972 -9.967 1.00 0.00 H new ATOM 167 N ARG A 11 -2.649 0.066 -15.752 1.00 0.00 N ATOM 168 CA ARG A 11 -3.715 -0.113 -16.776 1.00 0.00 C ATOM 169 C ARG A 11 -4.851 -0.969 -16.200 1.00 0.00 C ATOM 170 O ARG A 11 -4.665 -1.724 -15.270 1.00 0.00 O ATOM 171 CB ARG A 11 -3.091 -0.783 -18.017 1.00 0.00 C ATOM 172 CG ARG A 11 -4.051 -1.804 -18.642 1.00 0.00 C ATOM 173 CD ARG A 11 -4.016 -3.095 -17.822 1.00 0.00 C ATOM 174 NE ARG A 11 -3.359 -4.171 -18.615 1.00 0.00 N ATOM 175 CZ ARG A 11 -3.841 -4.512 -19.780 1.00 0.00 C ATOM 176 NH1 ARG A 11 -3.108 -4.383 -20.852 1.00 0.00 N ATOM 177 NH2 ARG A 11 -5.054 -4.981 -19.872 1.00 0.00 N ATOM 0 H ARG A 11 -2.004 -0.718 -15.655 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.135 0.851 -17.062 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.836 -0.022 -18.754 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.162 -1.279 -17.737 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.064 -1.402 -18.666 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.764 -2.007 -19.674 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.473 -2.932 -16.891 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.029 -3.394 -17.552 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.532 -4.642 -18.248 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.159 -4.016 -20.780 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.484 -4.649 -21.762 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.627 -5.082 -19.034 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.430 -5.247 -20.782 1.00 0.00 H new ATOM 191 N THR A 12 -6.026 -0.853 -16.759 1.00 0.00 N ATOM 192 CA THR A 12 -7.179 -1.660 -16.261 1.00 0.00 C ATOM 193 C THR A 12 -7.657 -2.589 -17.382 1.00 0.00 C ATOM 194 O THR A 12 -7.108 -2.581 -18.465 1.00 0.00 O ATOM 195 CB THR A 12 -8.326 -0.731 -15.839 1.00 0.00 C ATOM 196 OG1 THR A 12 -9.319 -0.712 -16.856 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.806 0.688 -15.611 1.00 0.00 C ATOM 0 H THR A 12 -6.238 -0.233 -17.541 1.00 0.00 H new ATOM 0 HA THR A 12 -6.866 -2.249 -15.399 1.00 0.00 H new ATOM 0 HB THR A 12 -8.756 -1.103 -14.909 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.052 -0.120 -16.586 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.631 1.334 -15.312 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.051 0.677 -14.825 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.364 1.066 -16.533 1.00 0.00 H new ATOM 205 N PRO A 13 -8.670 -3.365 -17.088 1.00 0.00 N ATOM 206 CA PRO A 13 -9.247 -4.312 -18.057 1.00 0.00 C ATOM 207 C PRO A 13 -10.163 -3.572 -19.037 1.00 0.00 C ATOM 208 O PRO A 13 -10.442 -4.046 -20.120 1.00 0.00 O ATOM 209 CB PRO A 13 -10.044 -5.281 -17.181 1.00 0.00 C ATOM 210 CG PRO A 13 -10.348 -4.531 -15.862 1.00 0.00 C ATOM 211 CD PRO A 13 -9.336 -3.372 -15.768 1.00 0.00 C ATOM 0 HA PRO A 13 -8.498 -4.820 -18.665 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.966 -5.583 -17.677 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.473 -6.189 -16.988 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.370 -4.153 -15.858 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.252 -5.199 -15.006 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.834 -2.423 -15.568 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.620 -3.532 -14.962 1.00 0.00 H new ATOM 219 N SER A 14 -10.629 -2.411 -18.664 1.00 0.00 N ATOM 220 CA SER A 14 -11.522 -1.640 -19.574 1.00 0.00 C ATOM 221 C SER A 14 -10.671 -0.800 -20.532 1.00 0.00 C ATOM 222 O SER A 14 -11.184 -0.027 -21.316 1.00 0.00 O ATOM 223 CB SER A 14 -12.420 -0.717 -18.750 1.00 0.00 C ATOM 224 OG SER A 14 -13.498 -1.470 -18.210 1.00 0.00 O ATOM 0 H SER A 14 -10.430 -1.964 -17.769 1.00 0.00 H new ATOM 0 HA SER A 14 -12.141 -2.332 -20.146 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.846 -0.254 -17.947 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.802 0.090 -19.375 1.00 0.00 H new ATOM 0 HG SER A 14 -14.075 -0.881 -17.680 1.00 0.00 H new ATOM 230 N GLY A 15 -9.375 -0.946 -20.473 1.00 0.00 N ATOM 231 CA GLY A 15 -8.495 -0.156 -21.379 1.00 0.00 C ATOM 232 C GLY A 15 -8.238 1.224 -20.772 1.00 0.00 C ATOM 233 O GLY A 15 -7.879 2.157 -21.460 1.00 0.00 O ATOM 0 H GLY A 15 -8.888 -1.578 -19.837 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.551 -0.679 -21.532 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.964 -0.052 -22.358 1.00 0.00 H new ATOM 237 N GLU A 16 -8.416 1.360 -19.485 1.00 0.00 N ATOM 238 CA GLU A 16 -8.179 2.682 -18.841 1.00 0.00 C ATOM 239 C GLU A 16 -6.766 2.714 -18.253 1.00 0.00 C ATOM 240 O GLU A 16 -6.121 1.694 -18.106 1.00 0.00 O ATOM 241 CB GLU A 16 -9.203 2.898 -17.724 1.00 0.00 C ATOM 242 CG GLU A 16 -10.045 4.136 -18.037 1.00 0.00 C ATOM 243 CD GLU A 16 -11.108 4.322 -16.953 1.00 0.00 C ATOM 244 OE1 GLU A 16 -11.498 3.330 -16.359 1.00 0.00 O ATOM 245 OE2 GLU A 16 -11.514 5.451 -16.735 1.00 0.00 O ATOM 0 H GLU A 16 -8.714 0.615 -18.855 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.282 3.473 -19.584 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.845 2.022 -17.630 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.694 3.023 -16.768 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.407 5.018 -18.090 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.520 4.028 -19.012 1.00 0.00 H new ATOM 252 N PHE A 17 -6.278 3.879 -17.919 1.00 0.00 N ATOM 253 CA PHE A 17 -4.906 3.972 -17.345 1.00 0.00 C ATOM 254 C PHE A 17 -4.915 4.910 -16.134 1.00 0.00 C ATOM 255 O PHE A 17 -5.326 6.050 -16.221 1.00 0.00 O ATOM 256 CB PHE A 17 -3.945 4.533 -18.398 1.00 0.00 C ATOM 257 CG PHE A 17 -3.187 3.405 -19.059 1.00 0.00 C ATOM 258 CD1 PHE A 17 -2.059 2.850 -18.436 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.607 2.918 -20.304 1.00 0.00 C ATOM 260 CE1 PHE A 17 -1.358 1.810 -19.056 1.00 0.00 C ATOM 261 CE2 PHE A 17 -2.903 1.879 -20.925 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.779 1.325 -20.301 1.00 0.00 C ATOM 0 H PHE A 17 -6.769 4.767 -18.019 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.581 2.978 -17.039 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.502 5.096 -19.147 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.246 5.227 -17.931 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.732 3.226 -17.478 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.475 3.345 -20.785 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.492 1.381 -18.574 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.227 1.505 -21.885 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.236 0.523 -20.780 1.00 0.00 H new ATOM 272 N LEU A 18 -4.437 4.445 -15.013 1.00 0.00 N ATOM 273 CA LEU A 18 -4.385 5.306 -13.806 1.00 0.00 C ATOM 274 C LEU A 18 -2.964 5.828 -13.670 1.00 0.00 C ATOM 275 O LEU A 18 -2.056 5.107 -13.294 1.00 0.00 O ATOM 276 CB LEU A 18 -4.724 4.518 -12.537 1.00 0.00 C ATOM 277 CG LEU A 18 -5.997 3.700 -12.723 1.00 0.00 C ATOM 278 CD1 LEU A 18 -7.117 4.576 -13.293 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.712 2.549 -13.677 1.00 0.00 C ATOM 0 H LEU A 18 -4.079 3.499 -14.884 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.112 6.111 -13.918 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.896 3.856 -12.284 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.849 5.206 -11.701 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.318 3.312 -11.756 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.019 3.977 -13.420 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.321 5.398 -12.607 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.809 4.977 -14.259 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.618 1.959 -13.816 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.387 2.946 -14.639 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.927 1.917 -13.261 1.00 0.00 H new ATOM 291 N GLU A 19 -2.764 7.069 -13.967 1.00 0.00 N ATOM 292 CA GLU A 19 -1.398 7.644 -13.844 1.00 0.00 C ATOM 293 C GLU A 19 -1.181 8.034 -12.387 1.00 0.00 C ATOM 294 O GLU A 19 -1.960 8.770 -11.814 1.00 0.00 O ATOM 295 CB GLU A 19 -1.269 8.877 -14.741 1.00 0.00 C ATOM 296 CG GLU A 19 -0.147 8.655 -15.757 1.00 0.00 C ATOM 297 CD GLU A 19 -0.751 8.317 -17.121 1.00 0.00 C ATOM 298 OE1 GLU A 19 -1.964 8.373 -17.242 1.00 0.00 O ATOM 299 OE2 GLU A 19 0.011 8.006 -18.024 1.00 0.00 O ATOM 0 H GLU A 19 -3.483 7.716 -14.290 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.650 6.914 -14.154 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.210 9.064 -15.258 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.057 9.759 -14.136 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.471 9.550 -15.833 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.503 7.846 -15.425 1.00 0.00 H new ATOM 306 N ARG A 20 -0.153 7.529 -11.766 1.00 0.00 N ATOM 307 CA ARG A 20 0.059 7.864 -10.336 1.00 0.00 C ATOM 308 C ARG A 20 1.528 8.143 -10.042 1.00 0.00 C ATOM 309 O ARG A 20 2.392 7.322 -10.275 1.00 0.00 O ATOM 310 CB ARG A 20 -0.390 6.684 -9.481 1.00 0.00 C ATOM 311 CG ARG A 20 -0.789 7.177 -8.090 1.00 0.00 C ATOM 312 CD ARG A 20 -1.847 8.274 -8.212 1.00 0.00 C ATOM 313 NE ARG A 20 -1.198 9.606 -8.052 1.00 0.00 N ATOM 314 CZ ARG A 20 -1.924 10.690 -8.059 1.00 0.00 C ATOM 315 NH1 ARG A 20 -3.099 10.693 -7.490 1.00 0.00 N ATOM 316 NH2 ARG A 20 -1.477 11.772 -8.635 1.00 0.00 N ATOM 0 H ARG A 20 0.540 6.907 -12.182 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.518 8.759 -10.106 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.233 6.180 -9.954 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.415 5.953 -9.401 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.178 6.348 -7.498 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.086 7.560 -7.565 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.341 8.212 -9.181 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.617 8.138 -7.452 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.187 9.670 -7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.450 9.848 -7.040 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.666 11.541 -7.496 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.559 11.771 -9.080 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.045 12.619 -8.640 1.00 0.00 H new ATOM 330 N ARG A 21 1.803 9.280 -9.472 1.00 0.00 N ATOM 331 CA ARG A 21 3.199 9.604 -9.090 1.00 0.00 C ATOM 332 C ARG A 21 3.275 9.440 -7.578 1.00 0.00 C ATOM 333 O ARG A 21 2.549 10.082 -6.846 1.00 0.00 O ATOM 334 CB ARG A 21 3.526 11.049 -9.477 1.00 0.00 C ATOM 335 CG ARG A 21 4.833 11.473 -8.805 1.00 0.00 C ATOM 336 CD ARG A 21 5.407 12.692 -9.529 1.00 0.00 C ATOM 337 NE ARG A 21 4.299 13.623 -9.889 1.00 0.00 N ATOM 338 CZ ARG A 21 4.217 14.792 -9.315 1.00 0.00 C ATOM 339 NH1 ARG A 21 3.176 15.091 -8.589 1.00 0.00 N ATOM 340 NH2 ARG A 21 5.177 15.664 -9.468 1.00 0.00 N ATOM 0 H ARG A 21 1.116 10.002 -9.254 1.00 0.00 H new ATOM 0 HA ARG A 21 3.912 8.954 -9.598 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.617 11.135 -10.560 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.716 11.711 -9.171 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.655 11.710 -7.756 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.550 10.652 -8.829 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.130 13.200 -8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.939 12.378 -10.427 1.00 0.00 H new ATOM 0 HE ARG A 21 3.605 13.346 -10.584 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.425 14.411 -8.469 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.112 16.005 -8.141 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.991 15.431 -10.036 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.112 16.578 -9.019 1.00 0.00 H new ATOM 354 N PHE A 22 4.104 8.566 -7.091 1.00 0.00 N ATOM 355 CA PHE A 22 4.146 8.368 -5.619 1.00 0.00 C ATOM 356 C PHE A 22 5.448 8.858 -5.020 1.00 0.00 C ATOM 357 O PHE A 22 6.513 8.669 -5.572 1.00 0.00 O ATOM 358 CB PHE A 22 4.060 6.887 -5.279 1.00 0.00 C ATOM 359 CG PHE A 22 2.847 6.254 -5.885 1.00 0.00 C ATOM 360 CD1 PHE A 22 1.580 6.510 -5.355 1.00 0.00 C ATOM 361 CD2 PHE A 22 2.996 5.385 -6.967 1.00 0.00 C ATOM 362 CE1 PHE A 22 0.459 5.894 -5.916 1.00 0.00 C ATOM 363 CE2 PHE A 22 1.878 4.775 -7.520 1.00 0.00 C ATOM 364 CZ PHE A 22 0.614 5.026 -6.998 1.00 0.00 C ATOM 0 H PHE A 22 4.744 7.989 -7.636 1.00 0.00 H new ATOM 0 HA PHE A 22 3.304 8.929 -5.215 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.955 6.378 -5.637 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.034 6.762 -4.196 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.468 7.181 -4.516 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.977 5.188 -7.373 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.524 6.089 -5.514 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.991 4.103 -8.358 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.252 4.547 -7.432 1.00 0.00 H new ATOM 374 N LEU A 23 5.377 9.405 -3.844 1.00 0.00 N ATOM 375 CA LEU A 23 6.618 9.814 -3.161 1.00 0.00 C ATOM 376 C LEU A 23 7.247 8.521 -2.656 1.00 0.00 C ATOM 377 O LEU A 23 6.571 7.673 -2.119 1.00 0.00 O ATOM 378 CB LEU A 23 6.295 10.735 -1.982 1.00 0.00 C ATOM 379 CG LEU A 23 5.873 12.108 -2.507 1.00 0.00 C ATOM 380 CD1 LEU A 23 4.882 12.744 -1.530 1.00 0.00 C ATOM 381 CD2 LEU A 23 7.107 13.006 -2.636 1.00 0.00 C ATOM 0 H LEU A 23 4.514 9.584 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 23 7.286 10.361 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.497 10.304 -1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.166 10.834 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 23 5.401 11.995 -3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.580 13.723 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.004 12.105 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.355 12.858 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.807 13.985 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.578 13.119 -1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.815 12.554 -3.330 1.00 0.00 H new ATOM 393 N ALA A 24 8.509 8.333 -2.856 1.00 0.00 N ATOM 394 CA ALA A 24 9.149 7.061 -2.409 1.00 0.00 C ATOM 395 C ALA A 24 8.636 6.640 -1.022 1.00 0.00 C ATOM 396 O ALA A 24 8.660 5.470 -0.673 1.00 0.00 O ATOM 397 CB ALA A 24 10.657 7.270 -2.356 1.00 0.00 C ATOM 0 H ALA A 24 9.134 9.000 -3.309 1.00 0.00 H new ATOM 0 HA ALA A 24 8.897 6.269 -3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.141 6.349 -2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.022 7.541 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.889 8.070 -1.653 1.00 0.00 H new ATOM 403 N SER A 25 8.179 7.575 -0.228 1.00 0.00 N ATOM 404 CA SER A 25 7.677 7.218 1.133 1.00 0.00 C ATOM 405 C SER A 25 6.173 6.928 1.081 1.00 0.00 C ATOM 406 O SER A 25 5.562 6.596 2.078 1.00 0.00 O ATOM 407 CB SER A 25 7.936 8.383 2.088 1.00 0.00 C ATOM 408 OG SER A 25 7.145 9.497 1.694 1.00 0.00 O ATOM 0 H SER A 25 8.132 8.567 -0.462 1.00 0.00 H new ATOM 0 HA SER A 25 8.199 6.328 1.484 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.692 8.092 3.110 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.993 8.650 2.076 1.00 0.00 H new ATOM 0 HG SER A 25 7.307 10.246 2.305 1.00 0.00 H new ATOM 414 N ASN A 26 5.573 7.052 -0.069 1.00 0.00 N ATOM 415 CA ASN A 26 4.111 6.785 -0.187 1.00 0.00 C ATOM 416 C ASN A 26 3.803 5.373 0.311 1.00 0.00 C ATOM 417 O ASN A 26 4.691 4.629 0.685 1.00 0.00 O ATOM 418 CB ASN A 26 3.687 6.913 -1.651 1.00 0.00 C ATOM 419 CG ASN A 26 2.854 8.183 -1.830 1.00 0.00 C ATOM 420 OD1 ASN A 26 3.151 9.005 -2.675 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.815 8.380 -1.065 1.00 0.00 N ATOM 0 H ASN A 26 6.033 7.328 -0.936 1.00 0.00 H new ATOM 0 HA ASN A 26 3.562 7.508 0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.566 6.948 -2.294 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.108 6.040 -1.951 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.252 9.224 -1.176 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.566 7.690 -0.356 1.00 0.00 H new ATOM 428 N LYS A 27 2.554 4.995 0.324 1.00 0.00 N ATOM 429 CA LYS A 27 2.198 3.632 0.808 1.00 0.00 C ATOM 430 C LYS A 27 1.344 2.903 -0.235 1.00 0.00 C ATOM 431 O LYS A 27 0.494 3.485 -0.897 1.00 0.00 O ATOM 432 CB LYS A 27 1.421 3.737 2.123 1.00 0.00 C ATOM 433 CG LYS A 27 1.865 4.989 2.886 1.00 0.00 C ATOM 434 CD LYS A 27 0.861 6.117 2.646 1.00 0.00 C ATOM 435 CE LYS A 27 1.227 7.319 3.517 1.00 0.00 C ATOM 436 NZ LYS A 27 0.176 8.367 3.385 1.00 0.00 N ATOM 0 H LYS A 27 1.767 5.569 0.021 1.00 0.00 H new ATOM 0 HA LYS A 27 3.116 3.067 0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.351 3.782 1.922 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.594 2.849 2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.936 4.772 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.858 5.295 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.863 6.403 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.147 5.777 2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.320 7.012 4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.195 7.719 3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.425 9.185 3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.108 8.667 2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.739 7.982 3.694 1.00 0.00 H new ATOM 450 N LEU A 28 1.562 1.627 -0.383 1.00 0.00 N ATOM 451 CA LEU A 28 0.770 0.850 -1.370 1.00 0.00 C ATOM 452 C LEU A 28 -0.719 1.060 -1.091 1.00 0.00 C ATOM 453 O LEU A 28 -1.508 1.248 -1.995 1.00 0.00 O ATOM 454 CB LEU A 28 1.096 -0.634 -1.226 1.00 0.00 C ATOM 455 CG LEU A 28 1.389 -1.263 -2.588 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.444 -0.481 -3.360 1.00 0.00 C ATOM 457 CD2 LEU A 28 1.875 -2.689 -2.365 1.00 0.00 C ATOM 0 H LEU A 28 2.255 1.090 0.138 1.00 0.00 H new ATOM 0 HA LEU A 28 1.013 1.184 -2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.958 -0.759 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.259 -1.150 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 28 0.474 -1.250 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.622 -0.962 -4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.094 0.538 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.372 -0.459 -2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.089 -3.155 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.781 -2.674 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.103 -3.260 -1.849 1.00 0.00 H new ATOM 469 N GLN A 29 -1.114 1.032 0.158 1.00 0.00 N ATOM 470 CA GLN A 29 -2.553 1.232 0.477 1.00 0.00 C ATOM 471 C GLN A 29 -3.031 2.500 -0.223 1.00 0.00 C ATOM 472 O GLN A 29 -4.104 2.536 -0.792 1.00 0.00 O ATOM 473 CB GLN A 29 -2.739 1.367 1.998 1.00 0.00 C ATOM 474 CG GLN A 29 -4.031 2.129 2.312 1.00 0.00 C ATOM 475 CD GLN A 29 -4.767 1.434 3.460 1.00 0.00 C ATOM 476 OE1 GLN A 29 -5.976 1.320 3.441 1.00 0.00 O ATOM 477 NE2 GLN A 29 -4.082 0.962 4.465 1.00 0.00 N ATOM 0 H GLN A 29 -0.504 0.880 0.962 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.134 0.376 0.133 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.772 0.378 2.456 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.886 1.891 2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.801 3.159 2.584 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.667 2.167 1.428 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.067 1.058 4.480 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.562 0.497 5.236 1.00 0.00 H new ATOM 486 N ILE A 30 -2.244 3.542 -0.205 1.00 0.00 N ATOM 487 CA ILE A 30 -2.681 4.781 -0.893 1.00 0.00 C ATOM 488 C ILE A 30 -2.778 4.489 -2.382 1.00 0.00 C ATOM 489 O ILE A 30 -3.726 4.862 -3.038 1.00 0.00 O ATOM 490 CB ILE A 30 -1.678 5.914 -0.634 1.00 0.00 C ATOM 491 CG1 ILE A 30 -2.474 7.209 -0.446 1.00 0.00 C ATOM 492 CG2 ILE A 30 -0.696 6.066 -1.811 1.00 0.00 C ATOM 493 CD1 ILE A 30 -1.568 8.425 -0.658 1.00 0.00 C ATOM 0 H ILE A 30 -1.332 3.586 0.250 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.652 5.099 -0.512 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.090 5.688 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.305 7.239 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.904 7.237 0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.003 6.876 -1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.144 5.136 -1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.251 6.294 -2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.147 9.338 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.752 8.401 0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.159 8.402 -1.668 1.00 0.00 H new ATOM 505 N VAL A 31 -1.810 3.805 -2.916 1.00 0.00 N ATOM 506 CA VAL A 31 -1.882 3.477 -4.368 1.00 0.00 C ATOM 507 C VAL A 31 -3.215 2.803 -4.619 1.00 0.00 C ATOM 508 O VAL A 31 -3.987 3.198 -5.469 1.00 0.00 O ATOM 509 CB VAL A 31 -0.767 2.511 -4.765 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.599 2.553 -6.283 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.535 2.929 -4.088 1.00 0.00 C ATOM 0 H VAL A 31 -0.985 3.463 -2.423 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.773 4.390 -4.953 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.020 1.499 -4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.195 1.867 -6.580 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.533 2.256 -6.761 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.339 3.565 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.330 2.240 -4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.801 3.938 -4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.405 2.908 -3.006 1.00 0.00 H new ATOM 521 N PHE A 32 -3.479 1.782 -3.870 1.00 0.00 N ATOM 522 CA PHE A 32 -4.757 1.039 -4.028 1.00 0.00 C ATOM 523 C PHE A 32 -5.947 1.998 -3.901 1.00 0.00 C ATOM 524 O PHE A 32 -6.901 1.923 -4.655 1.00 0.00 O ATOM 525 CB PHE A 32 -4.849 -0.021 -2.930 1.00 0.00 C ATOM 526 CG PHE A 32 -3.612 -0.898 -2.952 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.679 -0.783 -3.994 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.400 -1.836 -1.931 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.546 -1.598 -4.008 1.00 0.00 C ATOM 530 CE2 PHE A 32 -2.264 -2.652 -1.951 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.340 -2.533 -2.986 1.00 0.00 C ATOM 0 H PHE A 32 -2.859 1.422 -3.144 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.782 0.571 -5.012 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.947 0.459 -1.956 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.740 -0.631 -3.076 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.838 -0.064 -4.784 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.116 -1.928 -1.127 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.827 -1.507 -4.809 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.104 -3.374 -1.164 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.463 -3.163 -3.001 1.00 0.00 H new ATOM 541 N ASP A 33 -5.908 2.894 -2.950 1.00 0.00 N ATOM 542 CA ASP A 33 -7.051 3.838 -2.777 1.00 0.00 C ATOM 543 C ASP A 33 -7.130 4.796 -3.968 1.00 0.00 C ATOM 544 O ASP A 33 -8.188 5.031 -4.521 1.00 0.00 O ATOM 545 CB ASP A 33 -6.850 4.644 -1.493 1.00 0.00 C ATOM 546 CG ASP A 33 -8.020 4.386 -0.541 1.00 0.00 C ATOM 547 OD1 ASP A 33 -9.093 4.065 -1.025 1.00 0.00 O ATOM 548 OD2 ASP A 33 -7.823 4.514 0.656 1.00 0.00 O ATOM 0 H ASP A 33 -5.140 3.013 -2.290 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.978 3.268 -2.717 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.911 4.362 -1.017 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.783 5.707 -1.725 1.00 0.00 H new ATOM 553 N PHE A 34 -6.025 5.362 -4.359 1.00 0.00 N ATOM 554 CA PHE A 34 -6.042 6.315 -5.499 1.00 0.00 C ATOM 555 C PHE A 34 -6.629 5.631 -6.740 1.00 0.00 C ATOM 556 O PHE A 34 -7.507 6.160 -7.392 1.00 0.00 O ATOM 557 CB PHE A 34 -4.599 6.791 -5.774 1.00 0.00 C ATOM 558 CG PHE A 34 -4.203 6.497 -7.204 1.00 0.00 C ATOM 559 CD1 PHE A 34 -4.741 7.257 -8.249 1.00 0.00 C ATOM 560 CD2 PHE A 34 -3.317 5.452 -7.481 1.00 0.00 C ATOM 561 CE1 PHE A 34 -4.389 6.974 -9.573 1.00 0.00 C ATOM 562 CE2 PHE A 34 -2.966 5.166 -8.803 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.502 5.927 -9.851 1.00 0.00 C ATOM 0 H PHE A 34 -5.110 5.205 -3.937 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.665 7.176 -5.256 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.521 7.861 -5.582 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.910 6.294 -5.091 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.428 8.062 -8.033 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.904 4.866 -6.674 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.801 7.562 -10.380 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.282 4.358 -9.017 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.231 5.706 -10.873 1.00 0.00 H new ATOM 573 N VAL A 35 -6.140 4.469 -7.088 1.00 0.00 N ATOM 574 CA VAL A 35 -6.681 3.800 -8.307 1.00 0.00 C ATOM 575 C VAL A 35 -8.158 3.497 -8.103 1.00 0.00 C ATOM 576 O VAL A 35 -8.987 3.876 -8.907 1.00 0.00 O ATOM 577 CB VAL A 35 -5.936 2.487 -8.609 1.00 0.00 C ATOM 578 CG1 VAL A 35 -4.841 2.747 -9.645 1.00 0.00 C ATOM 579 CG2 VAL A 35 -5.303 1.919 -7.337 1.00 0.00 C ATOM 0 H VAL A 35 -5.405 3.964 -6.593 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.542 4.475 -9.151 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.653 1.764 -8.998 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.314 1.817 -9.858 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.291 3.128 -10.562 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.137 3.482 -9.254 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.782 0.991 -7.573 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.594 2.640 -6.930 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.082 1.720 -6.601 1.00 0.00 H new ATOM 589 N ALA A 36 -8.511 2.835 -7.034 1.00 0.00 N ATOM 590 CA ALA A 36 -9.951 2.533 -6.817 1.00 0.00 C ATOM 591 C ALA A 36 -10.738 3.840 -6.861 1.00 0.00 C ATOM 592 O ALA A 36 -11.908 3.863 -7.183 1.00 0.00 O ATOM 593 CB ALA A 36 -10.145 1.839 -5.470 1.00 0.00 C ATOM 0 H ALA A 36 -7.874 2.496 -6.313 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.311 1.864 -7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.203 1.622 -5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.578 0.908 -5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.792 2.491 -4.671 1.00 0.00 H new ATOM 599 N SER A 37 -10.101 4.936 -6.562 1.00 0.00 N ATOM 600 CA SER A 37 -10.814 6.240 -6.616 1.00 0.00 C ATOM 601 C SER A 37 -11.043 6.615 -8.084 1.00 0.00 C ATOM 602 O SER A 37 -11.798 7.515 -8.397 1.00 0.00 O ATOM 603 CB SER A 37 -9.967 7.317 -5.936 1.00 0.00 C ATOM 604 OG SER A 37 -10.394 7.468 -4.589 1.00 0.00 O ATOM 0 H SER A 37 -9.121 4.985 -6.284 1.00 0.00 H new ATOM 0 HA SER A 37 -11.771 6.162 -6.099 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.913 7.041 -5.967 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.064 8.263 -6.469 1.00 0.00 H new ATOM 0 HG SER A 37 -9.852 8.156 -4.149 1.00 0.00 H new ATOM 610 N LYS A 38 -10.383 5.935 -8.987 1.00 0.00 N ATOM 611 CA LYS A 38 -10.546 6.252 -10.435 1.00 0.00 C ATOM 612 C LYS A 38 -11.775 5.532 -11.006 1.00 0.00 C ATOM 613 O LYS A 38 -12.840 6.104 -11.121 1.00 0.00 O ATOM 614 CB LYS A 38 -9.292 5.801 -11.191 1.00 0.00 C ATOM 615 CG LYS A 38 -8.477 7.029 -11.612 1.00 0.00 C ATOM 616 CD LYS A 38 -8.225 7.916 -10.392 1.00 0.00 C ATOM 617 CE LYS A 38 -7.371 9.118 -10.803 1.00 0.00 C ATOM 618 NZ LYS A 38 -8.022 10.373 -10.332 1.00 0.00 N ATOM 0 H LYS A 38 -9.737 5.173 -8.782 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.686 7.327 -10.551 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.688 5.150 -10.559 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.574 5.220 -12.069 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.529 6.717 -12.050 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.013 7.589 -12.378 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.173 8.256 -9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.719 7.346 -9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.372 9.031 -10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.253 9.141 -11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.443 11.190 -10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.966 10.456 -10.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.112 10.350 -9.296 1.00 0.00 H new ATOM 632 N GLY A 39 -11.636 4.286 -11.381 1.00 0.00 N ATOM 633 CA GLY A 39 -12.798 3.545 -11.964 1.00 0.00 C ATOM 634 C GLY A 39 -13.078 2.272 -11.154 1.00 0.00 C ATOM 635 O GLY A 39 -14.063 1.591 -11.361 1.00 0.00 O ATOM 0 H GLY A 39 -10.771 3.750 -11.310 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.681 4.184 -11.967 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.589 3.285 -13.002 1.00 0.00 H new ATOM 745 N LYS A 46 -6.879 -5.839 -7.051 1.00 0.00 N ATOM 746 CA LYS A 46 -5.433 -6.048 -6.768 1.00 0.00 C ATOM 747 C LYS A 46 -4.655 -5.629 -8.011 1.00 0.00 C ATOM 748 O LYS A 46 -5.013 -5.965 -9.121 1.00 0.00 O ATOM 749 CB LYS A 46 -5.174 -7.526 -6.466 1.00 0.00 C ATOM 750 CG LYS A 46 -4.904 -7.702 -4.970 1.00 0.00 C ATOM 751 CD LYS A 46 -5.963 -8.626 -4.366 1.00 0.00 C ATOM 752 CE LYS A 46 -7.330 -7.944 -4.427 1.00 0.00 C ATOM 753 NZ LYS A 46 -8.402 -8.957 -4.212 1.00 0.00 N ATOM 0 HA LYS A 46 -5.121 -5.460 -5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.034 -8.125 -6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.322 -7.882 -7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.910 -8.121 -4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.923 -6.734 -4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.991 -9.570 -4.911 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.708 -8.862 -3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.394 -7.165 -3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.463 -7.458 -5.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.332 -8.493 -4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.345 -9.685 -4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.278 -9.401 -3.280 1.00 0.00 H new ATOM 767 N LEU A 47 -3.602 -4.884 -7.843 1.00 0.00 N ATOM 768 CA LEU A 47 -2.823 -4.433 -9.024 1.00 0.00 C ATOM 769 C LEU A 47 -1.691 -5.422 -9.292 1.00 0.00 C ATOM 770 O LEU A 47 -1.194 -6.066 -8.396 1.00 0.00 O ATOM 771 CB LEU A 47 -2.245 -3.050 -8.742 1.00 0.00 C ATOM 772 CG LEU A 47 -3.387 -2.073 -8.467 1.00 0.00 C ATOM 773 CD1 LEU A 47 -2.970 -1.099 -7.366 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.705 -1.302 -9.746 1.00 0.00 C ATOM 0 H LEU A 47 -3.248 -4.568 -6.940 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.471 -4.384 -9.899 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.572 -3.092 -7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.656 -2.709 -9.593 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.272 -2.621 -8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.784 -0.402 -7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.740 -1.654 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.087 -0.545 -7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.519 -0.603 -9.556 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.821 -0.751 -10.068 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.002 -2.001 -10.528 1.00 0.00 H new ATOM 786 N LEU A 48 -1.292 -5.562 -10.521 1.00 0.00 N ATOM 787 CA LEU A 48 -0.202 -6.518 -10.845 1.00 0.00 C ATOM 788 C LEU A 48 1.039 -5.733 -11.272 1.00 0.00 C ATOM 789 O LEU A 48 1.000 -4.957 -12.206 1.00 0.00 O ATOM 790 CB LEU A 48 -0.666 -7.438 -11.983 1.00 0.00 C ATOM 791 CG LEU A 48 0.522 -8.195 -12.591 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.251 -7.292 -13.586 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.489 -8.628 -11.486 1.00 0.00 C ATOM 0 H LEU A 48 -1.675 -5.054 -11.318 1.00 0.00 H new ATOM 0 HA LEU A 48 0.042 -7.124 -9.973 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.401 -8.149 -11.605 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.160 -6.848 -12.755 1.00 0.00 H new ATOM 0 HG LEU A 48 0.152 -9.081 -13.108 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.094 -7.832 -14.017 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.565 -6.997 -14.380 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.614 -6.402 -13.072 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.329 -9.165 -11.927 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.857 -7.748 -10.959 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.970 -9.281 -10.784 1.00 0.00 H new ATOM 805 N SER A 49 2.140 -5.924 -10.594 1.00 0.00 N ATOM 806 CA SER A 49 3.374 -5.180 -10.971 1.00 0.00 C ATOM 807 C SER A 49 3.954 -5.811 -12.234 1.00 0.00 C ATOM 808 O SER A 49 4.252 -6.992 -12.266 1.00 0.00 O ATOM 809 CB SER A 49 4.403 -5.278 -9.847 1.00 0.00 C ATOM 810 OG SER A 49 3.955 -6.217 -8.881 1.00 0.00 O ATOM 0 H SER A 49 2.237 -6.559 -9.801 1.00 0.00 H new ATOM 0 HA SER A 49 3.132 -4.131 -11.145 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.369 -5.585 -10.248 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.546 -4.302 -9.383 1.00 0.00 H new ATOM 0 HG SER A 49 3.822 -7.088 -9.309 1.00 0.00 H new ATOM 816 N THR A 50 4.099 -5.038 -13.278 1.00 0.00 N ATOM 817 CA THR A 50 4.637 -5.590 -14.552 1.00 0.00 C ATOM 818 C THR A 50 6.164 -5.670 -14.504 1.00 0.00 C ATOM 819 O THR A 50 6.748 -6.660 -14.898 1.00 0.00 O ATOM 820 CB THR A 50 4.217 -4.683 -15.712 1.00 0.00 C ATOM 821 OG1 THR A 50 4.949 -3.468 -15.651 1.00 0.00 O ATOM 822 CG2 THR A 50 2.720 -4.386 -15.611 1.00 0.00 C ATOM 0 H THR A 50 3.867 -4.045 -13.301 1.00 0.00 H new ATOM 0 HA THR A 50 4.237 -6.594 -14.695 1.00 0.00 H new ATOM 0 HB THR A 50 4.423 -5.183 -16.658 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.556 -2.883 -14.970 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.421 -3.740 -16.437 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.160 -5.320 -15.659 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.511 -3.886 -14.665 1.00 0.00 H new ATOM 830 N PHE A 51 6.822 -4.640 -14.042 1.00 0.00 N ATOM 831 CA PHE A 51 8.311 -4.684 -13.999 1.00 0.00 C ATOM 832 C PHE A 51 8.763 -6.046 -13.449 1.00 0.00 C ATOM 833 O PHE A 51 9.322 -6.836 -14.183 1.00 0.00 O ATOM 834 CB PHE A 51 8.848 -3.540 -13.137 1.00 0.00 C ATOM 835 CG PHE A 51 9.335 -2.422 -14.027 1.00 0.00 C ATOM 836 CD1 PHE A 51 8.432 -1.735 -14.847 1.00 0.00 C ATOM 837 CD2 PHE A 51 10.691 -2.072 -14.031 1.00 0.00 C ATOM 838 CE1 PHE A 51 8.884 -0.697 -15.670 1.00 0.00 C ATOM 839 CE2 PHE A 51 11.143 -1.034 -14.855 1.00 0.00 C ATOM 840 CZ PHE A 51 10.240 -0.346 -15.674 1.00 0.00 C ATOM 0 H PHE A 51 6.398 -3.779 -13.696 1.00 0.00 H new ATOM 0 HA PHE A 51 8.710 -4.561 -15.006 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.066 -3.174 -12.471 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.662 -3.897 -12.506 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.387 -2.006 -14.845 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.388 -2.602 -13.399 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.187 -0.167 -16.302 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.189 -0.764 -14.859 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.589 0.455 -16.309 1.00 0.00 H new ATOM 850 N PRO A 52 8.496 -6.306 -12.188 1.00 0.00 N ATOM 851 CA PRO A 52 8.861 -7.592 -11.571 1.00 0.00 C ATOM 852 C PRO A 52 7.834 -8.662 -11.957 1.00 0.00 C ATOM 853 O PRO A 52 8.051 -9.842 -11.774 1.00 0.00 O ATOM 854 CB PRO A 52 8.790 -7.311 -10.070 1.00 0.00 C ATOM 855 CG PRO A 52 7.847 -6.099 -9.902 1.00 0.00 C ATOM 856 CD PRO A 52 7.823 -5.367 -11.259 1.00 0.00 C ATOM 0 HA PRO A 52 9.839 -7.956 -11.886 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.410 -8.178 -9.529 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.779 -7.093 -9.668 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.846 -6.424 -9.619 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.203 -5.438 -9.112 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.803 -5.153 -11.578 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.348 -4.413 -11.207 1.00 0.00 H new ATOM 864 N ARG A 53 6.708 -8.249 -12.479 1.00 0.00 N ATOM 865 CA ARG A 53 5.657 -9.236 -12.863 1.00 0.00 C ATOM 866 C ARG A 53 5.191 -9.970 -11.605 1.00 0.00 C ATOM 867 O ARG A 53 5.182 -11.182 -11.549 1.00 0.00 O ATOM 868 CB ARG A 53 6.234 -10.241 -13.861 1.00 0.00 C ATOM 869 CG ARG A 53 5.435 -10.183 -15.163 1.00 0.00 C ATOM 870 CD ARG A 53 6.358 -10.491 -16.343 1.00 0.00 C ATOM 871 NE ARG A 53 6.571 -9.253 -17.144 1.00 0.00 N ATOM 872 CZ ARG A 53 7.767 -8.947 -17.566 1.00 0.00 C ATOM 873 NH1 ARG A 53 8.505 -9.853 -18.147 1.00 0.00 N ATOM 874 NH2 ARG A 53 8.225 -7.735 -17.407 1.00 0.00 N ATOM 0 H ARG A 53 6.472 -7.273 -12.655 1.00 0.00 H new ATOM 0 HA ARG A 53 4.815 -8.721 -13.326 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.283 -10.016 -14.055 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.196 -11.247 -13.443 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.616 -10.901 -15.131 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.989 -9.196 -15.285 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.313 -10.872 -15.981 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.920 -11.270 -16.967 1.00 0.00 H new ATOM 0 HE ARG A 53 5.782 -8.645 -17.362 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.147 -10.800 -18.271 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.440 -9.614 -18.477 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.648 -7.027 -16.953 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.160 -7.496 -17.737 1.00 0.00 H new ATOM 888 N ARG A 54 4.819 -9.239 -10.588 1.00 0.00 N ATOM 889 CA ARG A 54 4.369 -9.899 -9.327 1.00 0.00 C ATOM 890 C ARG A 54 3.108 -9.218 -8.789 1.00 0.00 C ATOM 891 O ARG A 54 2.697 -8.180 -9.266 1.00 0.00 O ATOM 892 CB ARG A 54 5.485 -9.804 -8.286 1.00 0.00 C ATOM 893 CG ARG A 54 5.590 -8.367 -7.771 1.00 0.00 C ATOM 894 CD ARG A 54 6.954 -8.159 -7.112 1.00 0.00 C ATOM 895 NE ARG A 54 6.945 -8.760 -5.749 1.00 0.00 N ATOM 896 CZ ARG A 54 7.983 -9.422 -5.322 1.00 0.00 C ATOM 897 NH1 ARG A 54 7.865 -10.680 -4.990 1.00 0.00 N ATOM 898 NH2 ARG A 54 9.142 -8.830 -5.226 1.00 0.00 N ATOM 0 H ARG A 54 4.807 -8.219 -10.575 1.00 0.00 H new ATOM 0 HA ARG A 54 4.140 -10.945 -9.534 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.282 -10.483 -7.458 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.433 -10.113 -8.726 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.461 -7.664 -8.594 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.794 -8.167 -7.054 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.736 -8.617 -7.718 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.181 -7.095 -7.050 1.00 0.00 H new ATOM 0 HE ARG A 54 6.126 -8.653 -5.150 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.960 -11.145 -5.065 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.678 -11.198 -4.656 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.236 -7.848 -5.485 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.954 -9.349 -4.892 1.00 0.00 H new ATOM 912 N ASP A 55 2.493 -9.798 -7.794 1.00 0.00 N ATOM 913 CA ASP A 55 1.258 -9.195 -7.215 1.00 0.00 C ATOM 914 C ASP A 55 1.565 -7.789 -6.689 1.00 0.00 C ATOM 915 O ASP A 55 2.198 -7.629 -5.666 1.00 0.00 O ATOM 916 CB ASP A 55 0.758 -10.073 -6.067 1.00 0.00 C ATOM 917 CG ASP A 55 -0.746 -9.862 -5.881 1.00 0.00 C ATOM 918 OD1 ASP A 55 -1.138 -8.736 -5.624 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.479 -10.830 -6.000 1.00 0.00 O ATOM 0 H ASP A 55 2.794 -10.668 -7.355 1.00 0.00 H new ATOM 0 HA ASP A 55 0.491 -9.128 -7.987 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.965 -11.122 -6.280 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.287 -9.824 -5.147 1.00 0.00 H new ATOM 924 N VAL A 56 1.111 -6.783 -7.394 1.00 0.00 N ATOM 925 CA VAL A 56 1.346 -5.359 -6.990 1.00 0.00 C ATOM 926 C VAL A 56 2.651 -5.213 -6.213 1.00 0.00 C ATOM 927 O VAL A 56 2.728 -5.479 -5.040 1.00 0.00 O ATOM 928 CB VAL A 56 0.161 -4.833 -6.169 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.234 -5.344 -4.735 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.190 -3.302 -6.176 1.00 0.00 C ATOM 0 H VAL A 56 0.574 -6.891 -8.254 1.00 0.00 H new ATOM 0 HA VAL A 56 1.432 -4.760 -7.897 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.768 -5.189 -6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.615 -4.960 -4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.207 -6.434 -4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.161 -5.004 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.649 -2.920 -5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.125 -2.954 -5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.115 -2.941 -7.202 1.00 0.00 H new ATOM 940 N THR A 57 3.661 -4.769 -6.902 1.00 0.00 N ATOM 941 CA THR A 57 5.020 -4.553 -6.311 1.00 0.00 C ATOM 942 C THR A 57 5.138 -5.047 -4.853 1.00 0.00 C ATOM 943 O THR A 57 5.057 -4.286 -3.911 1.00 0.00 O ATOM 944 CB THR A 57 5.378 -3.059 -6.396 1.00 0.00 C ATOM 945 OG1 THR A 57 5.964 -2.634 -5.181 1.00 0.00 O ATOM 946 CG2 THR A 57 4.122 -2.223 -6.674 1.00 0.00 C ATOM 0 H THR A 57 3.602 -4.536 -7.893 1.00 0.00 H new ATOM 0 HA THR A 57 5.724 -5.149 -6.892 1.00 0.00 H new ATOM 0 HB THR A 57 6.087 -2.919 -7.212 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.331 -2.774 -4.446 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.392 -1.169 -6.731 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.679 -2.536 -7.619 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.402 -2.370 -5.869 1.00 0.00 H new ATOM 954 N GLN A 58 5.376 -6.321 -4.678 1.00 0.00 N ATOM 955 CA GLN A 58 5.574 -6.889 -3.299 1.00 0.00 C ATOM 956 C GLN A 58 4.259 -7.060 -2.526 1.00 0.00 C ATOM 957 O GLN A 58 4.229 -7.708 -1.499 1.00 0.00 O ATOM 958 CB GLN A 58 6.501 -5.965 -2.505 1.00 0.00 C ATOM 959 CG GLN A 58 7.747 -6.739 -2.070 1.00 0.00 C ATOM 960 CD GLN A 58 7.476 -7.442 -0.739 1.00 0.00 C ATOM 961 OE1 GLN A 58 7.032 -6.824 0.208 1.00 0.00 O ATOM 962 NE2 GLN A 58 7.728 -8.717 -0.626 1.00 0.00 N ATOM 0 H GLN A 58 5.443 -7.002 -5.434 1.00 0.00 H new ATOM 0 HA GLN A 58 6.010 -7.881 -3.419 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.787 -5.108 -3.115 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.980 -5.574 -1.631 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.017 -7.471 -2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.593 -6.059 -1.968 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.101 -9.236 -1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.552 -9.195 0.258 1.00 0.00 H new ATOM 971 N LEU A 59 3.184 -6.496 -2.983 1.00 0.00 N ATOM 972 CA LEU A 59 1.899 -6.649 -2.241 1.00 0.00 C ATOM 973 C LEU A 59 1.995 -5.940 -0.890 1.00 0.00 C ATOM 974 O LEU A 59 2.912 -5.185 -0.638 1.00 0.00 O ATOM 975 CB LEU A 59 1.610 -8.135 -2.019 1.00 0.00 C ATOM 976 CG LEU A 59 0.574 -8.607 -3.036 1.00 0.00 C ATOM 977 CD1 LEU A 59 0.396 -10.121 -2.916 1.00 0.00 C ATOM 978 CD2 LEU A 59 -0.763 -7.914 -2.763 1.00 0.00 C ATOM 0 H LEU A 59 3.133 -5.937 -3.834 1.00 0.00 H new ATOM 0 HA LEU A 59 1.092 -6.205 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.527 -8.715 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.242 -8.298 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 59 0.913 -8.358 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.344 -10.459 -3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.348 -10.616 -3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.057 -10.369 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.503 -8.251 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.103 -8.162 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.637 -6.835 -2.848 1.00 0.00 H new ATOM 990 N ASP A 60 1.050 -6.178 -0.020 1.00 0.00 N ATOM 991 CA ASP A 60 1.079 -5.519 1.316 1.00 0.00 C ATOM 992 C ASP A 60 0.661 -4.052 1.168 1.00 0.00 C ATOM 993 O ASP A 60 1.486 -3.194 0.911 1.00 0.00 O ATOM 994 CB ASP A 60 2.494 -5.597 1.891 1.00 0.00 C ATOM 995 CG ASP A 60 3.073 -6.990 1.637 1.00 0.00 C ATOM 996 OD1 ASP A 60 2.537 -7.942 2.180 1.00 0.00 O ATOM 997 OD2 ASP A 60 4.044 -7.081 0.904 1.00 0.00 O ATOM 0 H ASP A 60 0.258 -6.802 -0.178 1.00 0.00 H new ATOM 0 HA ASP A 60 0.388 -6.025 1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.127 -4.839 1.430 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.475 -5.389 2.961 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.614 -3.805 1.343 1.00 0.00 N ATOM 1003 CA PRO A 61 -1.178 -2.449 1.232 1.00 0.00 C ATOM 1004 C PRO A 61 -0.727 -1.594 2.411 1.00 0.00 C ATOM 1005 O PRO A 61 -0.909 -0.394 2.436 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.693 -2.681 1.246 1.00 0.00 C ATOM 1007 CG PRO A 61 -2.912 -4.065 1.897 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.602 -4.847 1.694 1.00 0.00 C ATOM 0 HA PRO A 61 -0.855 -1.916 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.201 -1.900 1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.100 -2.658 0.235 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.145 -3.964 2.957 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.751 -4.584 1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.313 -5.383 2.598 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.699 -5.589 0.901 1.00 0.00 H new ATOM 1016 N ASN A 62 -0.117 -2.210 3.376 1.00 0.00 N ATOM 1017 CA ASN A 62 0.370 -1.452 4.559 1.00 0.00 C ATOM 1018 C ASN A 62 1.864 -1.183 4.401 1.00 0.00 C ATOM 1019 O ASN A 62 2.490 -0.581 5.250 1.00 0.00 O ATOM 1020 CB ASN A 62 0.130 -2.276 5.826 1.00 0.00 C ATOM 1021 CG ASN A 62 0.730 -3.671 5.646 1.00 0.00 C ATOM 1022 OD1 ASN A 62 0.906 -4.130 4.534 1.00 0.00 O ATOM 1023 ND2 ASN A 62 1.052 -4.371 6.698 1.00 0.00 N ATOM 0 H ASN A 62 0.068 -3.213 3.399 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.166 -0.506 4.636 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.582 -1.782 6.686 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.939 -2.351 6.027 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.451 -5.303 6.588 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.905 -3.986 7.631 1.00 0.00 H new ATOM 1030 N LYS A 63 2.443 -1.625 3.317 1.00 0.00 N ATOM 1031 CA LYS A 63 3.896 -1.394 3.110 1.00 0.00 C ATOM 1032 C LYS A 63 4.112 -0.039 2.436 1.00 0.00 C ATOM 1033 O LYS A 63 3.230 0.498 1.793 1.00 0.00 O ATOM 1034 CB LYS A 63 4.465 -2.500 2.218 1.00 0.00 C ATOM 1035 CG LYS A 63 5.544 -3.270 2.983 1.00 0.00 C ATOM 1036 CD LYS A 63 4.935 -3.891 4.242 1.00 0.00 C ATOM 1037 CE LYS A 63 6.039 -4.548 5.073 1.00 0.00 C ATOM 1038 NZ LYS A 63 6.478 -5.809 4.410 1.00 0.00 N ATOM 0 H LYS A 63 1.972 -2.134 2.569 1.00 0.00 H new ATOM 0 HA LYS A 63 4.403 -1.403 4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.669 -3.178 1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.886 -2.069 1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.968 -4.049 2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.360 -2.600 3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.430 -3.125 4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.183 -4.631 3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.884 -3.867 5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.674 -4.761 6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.128 -6.323 5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.648 -6.403 4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.965 -5.582 3.519 1.00 0.00 H new ATOM 1052 N SER A 64 5.287 0.503 2.566 1.00 0.00 N ATOM 1053 CA SER A 64 5.585 1.811 1.926 1.00 0.00 C ATOM 1054 C SER A 64 6.141 1.514 0.540 1.00 0.00 C ATOM 1055 O SER A 64 6.339 0.370 0.186 1.00 0.00 O ATOM 1056 CB SER A 64 6.614 2.581 2.754 1.00 0.00 C ATOM 1057 OG SER A 64 7.923 2.240 2.319 1.00 0.00 O ATOM 0 H SER A 64 6.059 0.094 3.092 1.00 0.00 H new ATOM 0 HA SER A 64 4.686 2.424 1.860 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.452 3.654 2.649 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.497 2.343 3.811 1.00 0.00 H new ATOM 0 HG SER A 64 8.583 2.734 2.849 1.00 0.00 H new ATOM 1063 N LEU A 65 6.365 2.504 -0.271 1.00 0.00 N ATOM 1064 CA LEU A 65 6.865 2.204 -1.631 1.00 0.00 C ATOM 1065 C LEU A 65 8.321 1.780 -1.564 1.00 0.00 C ATOM 1066 O LEU A 65 8.690 0.767 -2.105 1.00 0.00 O ATOM 1067 CB LEU A 65 6.701 3.434 -2.510 1.00 0.00 C ATOM 1068 CG LEU A 65 5.238 3.516 -2.935 1.00 0.00 C ATOM 1069 CD1 LEU A 65 5.010 4.782 -3.733 1.00 0.00 C ATOM 1070 CD2 LEU A 65 4.883 2.309 -3.801 1.00 0.00 C ATOM 0 H LEU A 65 6.226 3.491 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 65 6.290 1.384 -2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.991 4.333 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.349 3.367 -3.384 1.00 0.00 H new ATOM 0 HG LEU A 65 4.609 3.524 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.964 4.838 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.257 5.648 -3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.644 4.772 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.837 2.372 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.516 2.299 -4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.042 1.393 -3.232 1.00 0.00 H new ATOM 1082 N LEU A 66 9.153 2.522 -0.903 1.00 0.00 N ATOM 1083 CA LEU A 66 10.579 2.109 -0.825 1.00 0.00 C ATOM 1084 C LEU A 66 10.674 0.642 -0.402 1.00 0.00 C ATOM 1085 O LEU A 66 11.448 -0.116 -0.950 1.00 0.00 O ATOM 1086 CB LEU A 66 11.307 2.990 0.191 1.00 0.00 C ATOM 1087 CG LEU A 66 12.139 4.059 -0.530 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.437 4.510 -1.817 1.00 0.00 C ATOM 1089 CD2 LEU A 66 12.308 5.264 0.395 1.00 0.00 C ATOM 0 H LEU A 66 8.915 3.387 -0.417 1.00 0.00 H new ATOM 0 HA LEU A 66 11.043 2.225 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.584 3.467 0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.955 2.376 0.817 1.00 0.00 H new ATOM 0 HG LEU A 66 13.111 3.638 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.042 5.268 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.309 3.655 -2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.461 4.928 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.898 6.029 -0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.328 5.669 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.818 4.954 1.307 1.00 0.00 H new ATOM 1101 N GLU A 67 9.889 0.222 0.549 1.00 0.00 N ATOM 1102 CA GLU A 67 9.961 -1.211 0.971 1.00 0.00 C ATOM 1103 C GLU A 67 9.632 -2.079 -0.234 1.00 0.00 C ATOM 1104 O GLU A 67 10.229 -3.115 -0.448 1.00 0.00 O ATOM 1105 CB GLU A 67 8.960 -1.524 2.093 1.00 0.00 C ATOM 1106 CG GLU A 67 8.456 -0.238 2.738 1.00 0.00 C ATOM 1107 CD GLU A 67 7.948 -0.536 4.149 1.00 0.00 C ATOM 1108 OE1 GLU A 67 8.633 -1.247 4.867 1.00 0.00 O ATOM 1109 OE2 GLU A 67 6.883 -0.048 4.489 1.00 0.00 O ATOM 0 H GLU A 67 9.209 0.796 1.048 1.00 0.00 H new ATOM 0 HA GLU A 67 10.964 -1.412 1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.119 -2.089 1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.435 -2.153 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.258 0.499 2.778 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.656 0.193 2.136 1.00 0.00 H new ATOM 1116 N VAL A 68 8.692 -1.663 -1.034 1.00 0.00 N ATOM 1117 CA VAL A 68 8.347 -2.474 -2.233 1.00 0.00 C ATOM 1118 C VAL A 68 9.089 -1.921 -3.468 1.00 0.00 C ATOM 1119 O VAL A 68 8.999 -2.451 -4.557 1.00 0.00 O ATOM 1120 CB VAL A 68 6.830 -2.486 -2.445 1.00 0.00 C ATOM 1121 CG1 VAL A 68 6.161 -3.180 -1.257 1.00 0.00 C ATOM 1122 CG2 VAL A 68 6.283 -1.064 -2.560 1.00 0.00 C ATOM 0 H VAL A 68 8.153 -0.806 -0.912 1.00 0.00 H new ATOM 0 HA VAL A 68 8.667 -3.505 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 68 6.615 -3.020 -3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.081 -3.191 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.527 -4.204 -1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.397 -2.640 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.204 -1.100 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.504 -0.514 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.750 -0.562 -3.407 1.00 0.00 H new ATOM 1132 N LYS A 69 9.859 -0.878 -3.277 1.00 0.00 N ATOM 1133 CA LYS A 69 10.678 -0.273 -4.378 1.00 0.00 C ATOM 1134 C LYS A 69 9.999 -0.333 -5.759 1.00 0.00 C ATOM 1135 O LYS A 69 10.419 -1.065 -6.631 1.00 0.00 O ATOM 1136 CB LYS A 69 12.020 -1.015 -4.445 1.00 0.00 C ATOM 1137 CG LYS A 69 11.804 -2.483 -4.854 1.00 0.00 C ATOM 1138 CD LYS A 69 11.552 -3.346 -3.619 1.00 0.00 C ATOM 1139 CE LYS A 69 10.521 -4.425 -3.968 1.00 0.00 C ATOM 1140 NZ LYS A 69 11.144 -5.772 -3.831 1.00 0.00 N ATOM 0 H LYS A 69 9.957 -0.406 -2.378 1.00 0.00 H new ATOM 0 HA LYS A 69 10.807 0.783 -4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.678 -0.525 -5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.516 -0.971 -3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.957 -2.557 -5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.679 -2.851 -5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.482 -3.807 -3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.189 -2.730 -2.797 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.657 -4.344 -3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.160 -4.282 -4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.444 -6.504 -4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.955 -5.847 -4.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.468 -5.907 -2.852 1.00 0.00 H new ATOM 1207 N GLN A 73 10.438 4.265 -12.862 1.00 0.00 N ATOM 1208 CA GLN A 73 9.365 4.094 -13.886 1.00 0.00 C ATOM 1209 C GLN A 73 8.738 2.712 -13.716 1.00 0.00 C ATOM 1210 O GLN A 73 9.383 1.703 -13.923 1.00 0.00 O ATOM 1211 CB GLN A 73 9.968 4.212 -15.287 1.00 0.00 C ATOM 1212 CG GLN A 73 10.385 5.661 -15.544 1.00 0.00 C ATOM 1213 CD GLN A 73 11.460 5.699 -16.632 1.00 0.00 C ATOM 1214 OE1 GLN A 73 11.610 4.759 -17.386 1.00 0.00 O ATOM 1215 NE2 GLN A 73 12.219 6.754 -16.744 1.00 0.00 N ATOM 0 HA GLN A 73 8.606 4.865 -13.758 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.831 3.552 -15.380 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.242 3.894 -16.035 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.521 6.250 -15.851 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.766 6.109 -14.626 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.092 7.543 -16.110 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.939 6.790 -17.465 1.00 0.00 H new ATOM 1224 N GLU A 74 7.496 2.645 -13.316 1.00 0.00 N ATOM 1225 CA GLU A 74 6.868 1.317 -13.112 1.00 0.00 C ATOM 1226 C GLU A 74 5.443 1.311 -13.684 1.00 0.00 C ATOM 1227 O GLU A 74 4.758 2.315 -13.689 1.00 0.00 O ATOM 1228 CB GLU A 74 6.826 1.002 -11.611 1.00 0.00 C ATOM 1229 CG GLU A 74 7.628 2.036 -10.802 1.00 0.00 C ATOM 1230 CD GLU A 74 6.940 3.402 -10.835 1.00 0.00 C ATOM 1231 OE1 GLU A 74 5.756 3.445 -11.116 1.00 0.00 O ATOM 1232 OE2 GLU A 74 7.614 4.383 -10.576 1.00 0.00 O ATOM 0 H GLU A 74 6.897 3.448 -13.124 1.00 0.00 H new ATOM 0 HA GLU A 74 7.456 0.559 -13.629 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.791 0.991 -11.268 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.231 0.005 -11.435 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.728 1.699 -9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.636 2.121 -11.209 1.00 0.00 H new ATOM 1239 N THR A 75 4.996 0.180 -14.168 1.00 0.00 N ATOM 1240 CA THR A 75 3.617 0.089 -14.737 1.00 0.00 C ATOM 1241 C THR A 75 2.862 -1.053 -14.043 1.00 0.00 C ATOM 1242 O THR A 75 3.393 -2.129 -13.853 1.00 0.00 O ATOM 1243 CB THR A 75 3.693 -0.188 -16.241 1.00 0.00 C ATOM 1244 OG1 THR A 75 4.373 0.881 -16.883 1.00 0.00 O ATOM 1245 CG2 THR A 75 2.278 -0.313 -16.812 1.00 0.00 C ATOM 0 H THR A 75 5.530 -0.689 -14.194 1.00 0.00 H new ATOM 0 HA THR A 75 3.093 1.031 -14.574 1.00 0.00 H new ATOM 0 HB THR A 75 4.234 -1.119 -16.413 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.424 0.705 -17.846 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.334 -0.510 -17.883 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.758 -1.134 -16.318 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.734 0.616 -16.642 1.00 0.00 H new ATOM 1253 N LEU A 76 1.636 -0.827 -13.648 1.00 0.00 N ATOM 1254 CA LEU A 76 0.866 -1.903 -12.954 1.00 0.00 C ATOM 1255 C LEU A 76 -0.402 -2.252 -13.743 1.00 0.00 C ATOM 1256 O LEU A 76 -0.825 -1.521 -14.611 1.00 0.00 O ATOM 1257 CB LEU A 76 0.468 -1.428 -11.560 1.00 0.00 C ATOM 1258 CG LEU A 76 1.339 -2.122 -10.515 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.729 -1.122 -9.431 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.546 -3.263 -9.884 1.00 0.00 C ATOM 0 H LEU A 76 1.136 0.053 -13.775 1.00 0.00 H new ATOM 0 HA LEU A 76 1.497 -2.789 -12.882 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.585 -0.347 -11.486 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.584 -1.648 -11.376 1.00 0.00 H new ATOM 0 HG LEU A 76 2.239 -2.513 -10.989 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.351 -1.618 -8.685 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.286 -0.299 -9.879 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.829 -0.734 -8.953 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.161 -3.764 -9.136 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.350 -2.864 -9.408 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.260 -3.977 -10.656 1.00 0.00 H new ATOM 1272 N PHE A 77 -1.014 -3.367 -13.441 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.263 -3.759 -14.163 1.00 0.00 C ATOM 1274 C PHE A 77 -3.390 -3.978 -13.141 1.00 0.00 C ATOM 1275 O PHE A 77 -3.152 -4.406 -12.031 1.00 0.00 O ATOM 1276 CB PHE A 77 -2.026 -5.058 -14.942 1.00 0.00 C ATOM 1277 CG PHE A 77 -1.021 -4.823 -16.049 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -0.976 -3.590 -16.715 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.136 -5.845 -16.413 1.00 0.00 C ATOM 1280 CE1 PHE A 77 -0.045 -3.382 -17.740 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.794 -5.635 -17.438 1.00 0.00 C ATOM 1282 CZ PHE A 77 0.839 -4.403 -18.102 1.00 0.00 C ATOM 0 H PHE A 77 -0.704 -4.024 -12.725 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.542 -2.968 -14.859 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.662 -5.834 -14.269 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.966 -5.416 -15.363 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.659 -2.801 -16.438 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.171 -6.796 -15.903 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.010 -2.432 -18.252 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.477 -6.424 -17.717 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.556 -4.242 -18.893 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.614 -3.691 -13.500 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.733 -3.891 -12.532 1.00 0.00 C ATOM 1294 C LEU A 78 -6.201 -5.349 -12.605 1.00 0.00 C ATOM 1295 O LEU A 78 -6.485 -5.866 -13.667 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.901 -2.956 -12.889 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.440 -2.272 -11.623 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.353 -0.757 -11.779 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -8.908 -2.642 -11.407 1.00 0.00 C ATOM 0 H LEU A 78 -4.886 -3.330 -14.414 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.390 -3.663 -11.523 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.568 -2.204 -13.604 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.697 -3.524 -13.371 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.843 -2.603 -10.774 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.736 -0.276 -10.879 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.314 -0.466 -11.931 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.947 -0.445 -12.638 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.278 -2.151 -10.507 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.495 -2.317 -12.266 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.998 -3.722 -11.294 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.284 -6.013 -11.484 1.00 0.00 N ATOM 1312 CA GLU A 79 -6.737 -7.436 -11.485 1.00 0.00 C ATOM 1313 C GLU A 79 -7.762 -7.623 -10.368 1.00 0.00 C ATOM 1314 O GLU A 79 -7.498 -7.335 -9.218 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.540 -8.358 -11.242 1.00 0.00 C ATOM 1316 CG GLU A 79 -5.830 -9.739 -11.834 1.00 0.00 C ATOM 1317 CD GLU A 79 -4.854 -10.762 -11.248 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -4.932 -11.012 -10.056 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -4.044 -11.278 -12.001 1.00 0.00 O ATOM 0 H GLU A 79 -6.058 -5.632 -10.565 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.185 -7.682 -12.448 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.644 -7.936 -11.698 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.344 -8.443 -10.173 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.856 -10.032 -11.614 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.733 -9.709 -12.919 1.00 0.00 H new