USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 LYS NZ :NH3+ 172:sc= 1.04 (180deg=-0.104) USER MOD Set 1.2: A 79 ASN : amide:sc= -0.951 K(o=0.084,f=-12!) USER MOD Set 2.1: A 28 HIS : no HD1:sc= -0.258 K(o=-0.06,f=-9!) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.198 USER MOD Single : A 4 THR OG1 : rot 26:sc= 0.188 USER MOD Single : A 10 THR OG1 : rot 83:sc= 0.169 USER MOD Single : A 15 THR OG1 : rot 82:sc= 0.708 USER MOD Single : A 16 CYS SG : rot -93:sc= -3.87! USER MOD Single : A 22 THR OG1 : rot -14:sc= 0.734 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 27 SER OG : rot 100:sc= 0.355 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0692) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -175:sc= -0.177 (180deg=-0.188) USER MOD Single : A 61 THR OG1 : rot 78:sc= 0.196 USER MOD Single : A 62 GLN : amide:sc= -0.651 X(o=-0.65,f=-0.3) USER MOD Single : A 65 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.2) USER MOD Single : A 68 LYS NZ :NH3+ 145:sc= 0.515 (180deg=-0.0164) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 0.819 10.931 3.323 1.00 0.00 N ATOM 46 CA THR A 4 0.933 9.761 2.434 1.00 0.00 C ATOM 47 C THR A 4 -0.252 8.787 2.649 1.00 0.00 C ATOM 48 O THR A 4 -0.819 8.275 1.685 1.00 0.00 O ATOM 49 CB THR A 4 2.287 9.019 2.674 1.00 0.00 C ATOM 50 OG1 THR A 4 3.371 9.961 2.623 1.00 0.00 O ATOM 51 CG2 THR A 4 2.544 7.910 1.645 1.00 0.00 C ATOM 0 HA THR A 4 0.905 10.117 1.404 1.00 0.00 H new ATOM 0 HB THR A 4 2.224 8.553 3.657 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.042 10.851 2.867 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.498 7.428 1.860 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.744 7.171 1.699 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.573 8.342 0.644 1.00 0.00 H new ATOM 59 N PHE A 5 -0.677 8.650 3.925 1.00 0.00 N ATOM 60 CA PHE A 5 -1.775 7.743 4.309 1.00 0.00 C ATOM 61 C PHE A 5 -3.142 8.230 3.774 1.00 0.00 C ATOM 62 O PHE A 5 -3.984 7.407 3.420 1.00 0.00 O ATOM 63 CB PHE A 5 -1.829 7.545 5.852 1.00 0.00 C ATOM 64 CG PHE A 5 -3.032 6.708 6.305 1.00 0.00 C ATOM 65 CD1 PHE A 5 -3.090 5.341 6.031 1.00 0.00 C ATOM 66 CD2 PHE A 5 -4.133 7.300 6.935 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.200 4.599 6.377 1.00 0.00 C ATOM 68 CE2 PHE A 5 -5.236 6.550 7.287 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.271 5.201 7.002 1.00 0.00 C ATOM 0 H PHE A 5 -0.271 9.161 4.709 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.566 6.779 3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.910 7.061 6.183 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.868 8.520 6.337 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.256 4.859 5.542 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.119 8.359 7.148 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.230 3.542 6.157 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.072 7.019 7.785 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.139 4.616 7.269 1.00 0.00 H new ATOM 79 N ASP A 6 -3.352 9.559 3.733 1.00 0.00 N ATOM 80 CA ASP A 6 -4.615 10.172 3.233 1.00 0.00 C ATOM 81 C ASP A 6 -4.906 9.716 1.795 1.00 0.00 C ATOM 82 O ASP A 6 -6.043 9.366 1.451 1.00 0.00 O ATOM 83 CB ASP A 6 -4.528 11.724 3.274 1.00 0.00 C ATOM 84 CG ASP A 6 -4.479 12.309 4.696 1.00 0.00 C ATOM 85 OD1 ASP A 6 -3.634 11.870 5.507 1.00 0.00 O ATOM 86 OD2 ASP A 6 -5.282 13.215 5.014 1.00 0.00 O ATOM 0 H ASP A 6 -2.660 10.242 4.042 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.425 9.843 3.884 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.639 12.043 2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.388 12.140 2.750 1.00 0.00 H new ATOM 91 N ARG A 7 -3.834 9.712 0.981 1.00 0.00 N ATOM 92 CA ARG A 7 -3.875 9.281 -0.424 1.00 0.00 C ATOM 93 C ARG A 7 -4.024 7.750 -0.554 1.00 0.00 C ATOM 94 O ARG A 7 -4.837 7.291 -1.353 1.00 0.00 O ATOM 95 CB ARG A 7 -2.610 9.775 -1.163 1.00 0.00 C ATOM 96 CG ARG A 7 -2.435 11.314 -1.213 1.00 0.00 C ATOM 97 CD ARG A 7 -3.435 12.032 -2.156 1.00 0.00 C ATOM 98 NE ARG A 7 -4.836 11.970 -1.682 1.00 0.00 N ATOM 99 CZ ARG A 7 -5.919 11.782 -2.446 1.00 0.00 C ATOM 100 NH1 ARG A 7 -5.814 11.556 -3.735 1.00 0.00 N ATOM 101 NH2 ARG A 7 -7.107 11.784 -1.887 1.00 0.00 N ATOM 0 H ARG A 7 -2.908 10.011 1.285 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.756 9.726 -0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.734 9.341 -0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.633 9.394 -2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.549 11.715 -0.206 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.419 11.544 -1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.140 13.076 -2.260 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.374 11.584 -3.148 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.991 12.081 -0.680 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.894 11.521 -4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.653 11.415 -4.298 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.197 11.928 -0.881 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.940 11.642 -2.459 1.00 0.00 H new ATOM 115 N VAL A 8 -3.250 6.971 0.240 1.00 0.00 N ATOM 116 CA VAL A 8 -3.304 5.477 0.229 1.00 0.00 C ATOM 117 C VAL A 8 -4.715 4.961 0.600 1.00 0.00 C ATOM 118 O VAL A 8 -5.232 4.029 -0.023 1.00 0.00 O ATOM 119 CB VAL A 8 -2.239 4.846 1.211 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.338 3.294 1.270 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.809 5.279 0.827 1.00 0.00 C ATOM 0 H VAL A 8 -2.574 7.350 0.903 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.068 5.165 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.466 5.226 2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.586 2.907 1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.330 3.006 1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.167 2.880 0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.095 4.831 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.589 4.947 -0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.731 6.365 0.879 1.00 0.00 H new ATOM 131 N ALA A 9 -5.314 5.600 1.610 1.00 0.00 N ATOM 132 CA ALA A 9 -6.660 5.269 2.105 1.00 0.00 C ATOM 133 C ALA A 9 -7.710 5.508 1.003 1.00 0.00 C ATOM 134 O ALA A 9 -8.613 4.699 0.819 1.00 0.00 O ATOM 135 CB ALA A 9 -6.976 6.085 3.369 1.00 0.00 C ATOM 0 H ALA A 9 -4.876 6.371 2.114 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.692 4.212 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.974 5.831 3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.244 5.854 4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.934 7.149 3.135 1.00 0.00 H new ATOM 141 N THR A 10 -7.552 6.629 0.271 1.00 0.00 N ATOM 142 CA THR A 10 -8.384 6.971 -0.903 1.00 0.00 C ATOM 143 C THR A 10 -8.218 5.943 -2.053 1.00 0.00 C ATOM 144 O THR A 10 -9.211 5.543 -2.679 1.00 0.00 O ATOM 145 CB THR A 10 -8.032 8.406 -1.422 1.00 0.00 C ATOM 146 OG1 THR A 10 -8.351 9.375 -0.420 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.756 8.767 -2.729 1.00 0.00 C ATOM 0 H THR A 10 -6.839 7.328 0.478 1.00 0.00 H new ATOM 0 HA THR A 10 -9.424 6.945 -0.579 1.00 0.00 H new ATOM 0 HB THR A 10 -6.963 8.410 -1.634 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.616 9.431 0.226 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.471 9.773 -3.037 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.478 8.056 -3.507 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.834 8.728 -2.571 1.00 0.00 H new ATOM 155 N ILE A 11 -6.960 5.527 -2.313 1.00 0.00 N ATOM 156 CA ILE A 11 -6.624 4.536 -3.355 1.00 0.00 C ATOM 157 C ILE A 11 -7.405 3.234 -3.098 1.00 0.00 C ATOM 158 O ILE A 11 -8.220 2.834 -3.913 1.00 0.00 O ATOM 159 CB ILE A 11 -5.070 4.234 -3.374 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.235 5.460 -3.887 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.736 2.948 -4.180 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.429 5.800 -5.351 1.00 0.00 C ATOM 0 H ILE A 11 -6.146 5.871 -1.803 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.902 4.948 -4.325 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.779 4.055 -2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.495 6.333 -3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.178 5.259 -3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.659 2.779 -4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.243 2.094 -3.730 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.072 3.067 -5.210 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.811 6.660 -5.610 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.139 4.947 -5.964 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.477 6.038 -5.533 1.00 0.00 H new ATOM 174 N ILE A 12 -7.187 2.652 -1.907 1.00 0.00 N ATOM 175 CA ILE A 12 -7.782 1.367 -1.489 1.00 0.00 C ATOM 176 C ILE A 12 -9.320 1.464 -1.433 1.00 0.00 C ATOM 177 O ILE A 12 -10.024 0.507 -1.759 1.00 0.00 O ATOM 178 CB ILE A 12 -7.193 0.932 -0.092 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.648 0.727 -0.223 1.00 0.00 C ATOM 180 CG2 ILE A 12 -7.894 -0.325 0.486 1.00 0.00 C ATOM 181 CD1 ILE A 12 -4.929 0.308 1.043 1.00 0.00 C ATOM 0 H ILE A 12 -6.584 3.065 -1.196 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.527 0.607 -2.228 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.388 1.731 0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.464 -0.026 -0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.206 1.658 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.449 -0.580 1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.956 -0.120 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.770 -1.160 -0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.865 0.195 0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.071 1.069 1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.333 -0.642 1.394 1.00 0.00 H new ATOM 193 N ALA A 13 -9.817 2.650 -1.054 1.00 0.00 N ATOM 194 CA ALA A 13 -11.252 2.946 -1.011 1.00 0.00 C ATOM 195 C ALA A 13 -11.909 2.772 -2.394 1.00 0.00 C ATOM 196 O ALA A 13 -12.873 2.020 -2.538 1.00 0.00 O ATOM 197 CB ALA A 13 -11.495 4.360 -0.466 1.00 0.00 C ATOM 0 H ALA A 13 -9.230 3.433 -0.768 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.718 2.229 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.566 4.561 -0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.088 4.436 0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.003 5.088 -1.111 1.00 0.00 H new ATOM 203 N GLU A 14 -11.348 3.443 -3.409 1.00 0.00 N ATOM 204 CA GLU A 14 -11.909 3.470 -4.778 1.00 0.00 C ATOM 205 C GLU A 14 -11.544 2.201 -5.578 1.00 0.00 C ATOM 206 O GLU A 14 -12.267 1.829 -6.512 1.00 0.00 O ATOM 207 CB GLU A 14 -11.428 4.752 -5.517 1.00 0.00 C ATOM 208 CG GLU A 14 -11.789 6.060 -4.790 1.00 0.00 C ATOM 209 CD GLU A 14 -11.383 7.319 -5.571 1.00 0.00 C ATOM 210 OE1 GLU A 14 -10.184 7.647 -5.594 1.00 0.00 O ATOM 211 OE2 GLU A 14 -12.255 7.982 -6.176 1.00 0.00 O ATOM 0 H GLU A 14 -10.490 3.986 -3.310 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.996 3.489 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.346 4.704 -5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.864 4.770 -6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.864 6.083 -4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.302 6.072 -3.815 1.00 0.00 H new ATOM 218 N THR A 15 -10.426 1.547 -5.212 1.00 0.00 N ATOM 219 CA THR A 15 -9.967 0.303 -5.858 1.00 0.00 C ATOM 220 C THR A 15 -10.821 -0.887 -5.384 1.00 0.00 C ATOM 221 O THR A 15 -11.543 -1.508 -6.170 1.00 0.00 O ATOM 222 CB THR A 15 -8.448 0.040 -5.538 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.644 1.095 -6.093 1.00 0.00 O ATOM 224 CG2 THR A 15 -7.941 -1.309 -6.068 1.00 0.00 C ATOM 0 H THR A 15 -9.815 1.866 -4.460 1.00 0.00 H new ATOM 0 HA THR A 15 -10.079 0.413 -6.937 1.00 0.00 H new ATOM 0 HB THR A 15 -8.360 0.014 -4.452 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.657 1.868 -5.490 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.888 -1.427 -5.814 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.516 -2.117 -5.616 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.059 -1.342 -7.151 1.00 0.00 H new ATOM 232 N CYS A 16 -10.756 -1.154 -4.075 1.00 0.00 N ATOM 233 CA CYS A 16 -11.352 -2.344 -3.449 1.00 0.00 C ATOM 234 C CYS A 16 -12.837 -2.135 -3.086 1.00 0.00 C ATOM 235 O CYS A 16 -13.472 -3.058 -2.574 1.00 0.00 O ATOM 236 CB CYS A 16 -10.534 -2.668 -2.177 1.00 0.00 C ATOM 237 SG CYS A 16 -8.773 -2.316 -2.338 1.00 0.00 S ATOM 0 H CYS A 16 -10.282 -0.543 -3.410 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.320 -3.170 -4.159 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -10.935 -2.094 -1.342 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.664 -3.722 -1.931 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.149 -3.391 -2.720 1.00 0.00 H new ATOM 243 N ASP A 17 -13.359 -0.905 -3.326 1.00 0.00 N ATOM 244 CA ASP A 17 -14.747 -0.486 -2.983 1.00 0.00 C ATOM 245 C ASP A 17 -14.998 -0.466 -1.459 1.00 0.00 C ATOM 246 O ASP A 17 -16.153 -0.413 -1.011 1.00 0.00 O ATOM 247 CB ASP A 17 -15.820 -1.348 -3.714 1.00 0.00 C ATOM 248 CG ASP A 17 -15.767 -1.212 -5.244 1.00 0.00 C ATOM 249 OD1 ASP A 17 -15.893 -0.078 -5.753 1.00 0.00 O ATOM 250 OD2 ASP A 17 -15.611 -2.230 -5.950 1.00 0.00 O ATOM 0 H ASP A 17 -12.820 -0.162 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.848 0.538 -3.341 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.681 -2.395 -3.444 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.810 -1.057 -3.364 1.00 0.00 H new ATOM 255 N ILE A 18 -13.906 -0.483 -0.669 1.00 0.00 N ATOM 256 CA ILE A 18 -13.970 -0.443 0.802 1.00 0.00 C ATOM 257 C ILE A 18 -14.213 1.017 1.246 1.00 0.00 C ATOM 258 O ILE A 18 -13.403 1.880 0.918 1.00 0.00 O ATOM 259 CB ILE A 18 -12.631 -0.994 1.447 1.00 0.00 C ATOM 260 CG1 ILE A 18 -12.349 -2.460 0.982 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.661 -0.908 3.001 1.00 0.00 C ATOM 262 CD1 ILE A 18 -11.019 -3.040 1.463 1.00 0.00 C ATOM 0 H ILE A 18 -12.955 -0.525 -1.035 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.787 -1.080 1.142 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.818 -0.358 1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.157 -3.100 1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.370 -2.491 -0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.726 -1.295 3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -12.785 0.131 3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.493 -1.500 3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.911 -4.059 1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.198 -2.428 1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.998 -3.047 2.553 1.00 0.00 H new ATOM 274 N PRO A 19 -15.327 1.329 1.984 1.00 0.00 N ATOM 275 CA PRO A 19 -15.622 2.713 2.425 1.00 0.00 C ATOM 276 C PRO A 19 -14.531 3.274 3.363 1.00 0.00 C ATOM 277 O PRO A 19 -13.925 2.533 4.152 1.00 0.00 O ATOM 278 CB PRO A 19 -17.008 2.600 3.119 1.00 0.00 C ATOM 279 CG PRO A 19 -17.127 1.159 3.506 1.00 0.00 C ATOM 280 CD PRO A 19 -16.376 0.377 2.443 1.00 0.00 C ATOM 0 HA PRO A 19 -15.637 3.419 1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -17.067 3.250 3.992 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.813 2.896 2.446 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.700 0.984 4.494 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.172 0.852 3.551 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.939 -0.535 2.850 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -17.033 0.079 1.626 1.00 0.00 H new ATOM 288 N ARG A 20 -14.285 4.591 3.232 1.00 0.00 N ATOM 289 CA ARG A 20 -13.284 5.333 4.029 1.00 0.00 C ATOM 290 C ARG A 20 -13.510 5.159 5.542 1.00 0.00 C ATOM 291 O ARG A 20 -12.547 5.093 6.306 1.00 0.00 O ATOM 292 CB ARG A 20 -13.305 6.842 3.645 1.00 0.00 C ATOM 293 CG ARG A 20 -12.669 7.174 2.271 1.00 0.00 C ATOM 294 CD ARG A 20 -11.146 6.911 2.248 1.00 0.00 C ATOM 295 NE ARG A 20 -10.467 7.554 3.390 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.520 8.495 3.325 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.061 8.931 2.160 1.00 0.00 N ATOM 298 NH2 ARG A 20 -9.020 8.980 4.443 1.00 0.00 N ATOM 0 H ARG A 20 -14.781 5.179 2.562 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.303 4.918 3.798 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.339 7.187 3.644 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.782 7.406 4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.150 6.576 1.497 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.858 8.220 2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.961 5.837 2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.725 7.286 1.315 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.749 7.250 4.322 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.431 8.548 1.290 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.338 9.650 2.134 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.356 8.637 5.343 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.297 9.698 4.409 1.00 0.00 H new ATOM 312 N GLU A 21 -14.792 5.057 5.940 1.00 0.00 N ATOM 313 CA GLU A 21 -15.195 4.885 7.346 1.00 0.00 C ATOM 314 C GLU A 21 -14.596 3.593 7.959 1.00 0.00 C ATOM 315 O GLU A 21 -14.190 3.590 9.125 1.00 0.00 O ATOM 316 CB GLU A 21 -16.746 4.876 7.465 1.00 0.00 C ATOM 317 CG GLU A 21 -17.444 3.744 6.677 1.00 0.00 C ATOM 318 CD GLU A 21 -18.928 3.574 7.027 1.00 0.00 C ATOM 319 OE1 GLU A 21 -19.226 3.291 8.208 1.00 0.00 O ATOM 320 OE2 GLU A 21 -19.798 3.692 6.138 1.00 0.00 O ATOM 0 H GLU A 21 -15.579 5.092 5.292 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.801 5.730 7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.016 4.789 8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.130 5.835 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.352 3.946 5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.924 2.805 6.870 1.00 0.00 H new ATOM 327 N THR A 22 -14.536 2.504 7.160 1.00 0.00 N ATOM 328 CA THR A 22 -14.051 1.183 7.621 1.00 0.00 C ATOM 329 C THR A 22 -12.514 1.059 7.486 1.00 0.00 C ATOM 330 O THR A 22 -11.921 0.069 7.937 1.00 0.00 O ATOM 331 CB THR A 22 -14.766 0.023 6.836 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.540 0.152 5.423 1.00 0.00 O ATOM 333 CG2 THR A 22 -16.284 0.016 7.098 1.00 0.00 C ATOM 0 H THR A 22 -14.821 2.515 6.181 1.00 0.00 H new ATOM 0 HA THR A 22 -14.299 1.095 8.679 1.00 0.00 H new ATOM 0 HB THR A 22 -14.341 -0.915 7.194 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.187 1.045 5.228 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.746 -0.798 6.540 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.469 -0.124 8.163 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.713 0.965 6.777 1.00 0.00 H new ATOM 341 N ILE A 23 -11.881 2.077 6.873 1.00 0.00 N ATOM 342 CA ILE A 23 -10.418 2.155 6.702 1.00 0.00 C ATOM 343 C ILE A 23 -9.795 2.880 7.916 1.00 0.00 C ATOM 344 O ILE A 23 -10.310 3.920 8.344 1.00 0.00 O ATOM 345 CB ILE A 23 -10.073 2.912 5.356 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.583 2.080 4.132 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.563 3.237 5.231 1.00 0.00 C ATOM 348 CD1 ILE A 23 -10.366 2.721 2.770 1.00 0.00 C ATOM 0 H ILE A 23 -12.376 2.877 6.478 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.001 1.149 6.645 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.589 3.872 5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.086 1.110 4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.649 1.893 4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.379 3.756 4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.258 3.873 6.062 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.989 2.311 5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.755 2.063 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.888 3.677 2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.300 2.882 2.609 1.00 0.00 H new ATOM 360 N THR A 24 -8.702 2.309 8.465 1.00 0.00 N ATOM 361 CA THR A 24 -7.931 2.881 9.603 1.00 0.00 C ATOM 362 C THR A 24 -6.419 2.581 9.424 1.00 0.00 C ATOM 363 O THR A 24 -6.081 1.593 8.773 1.00 0.00 O ATOM 364 CB THR A 24 -8.436 2.308 10.979 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.730 0.917 10.838 1.00 0.00 O ATOM 366 CG2 THR A 24 -9.671 3.061 11.514 1.00 0.00 C ATOM 0 H THR A 24 -8.320 1.425 8.129 1.00 0.00 H new ATOM 0 HA THR A 24 -8.086 3.960 9.609 1.00 0.00 H new ATOM 0 HB THR A 24 -7.638 2.449 11.708 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.043 0.560 11.695 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.979 2.626 12.465 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.421 4.112 11.659 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.487 2.978 10.796 1.00 0.00 H new ATOM 374 N PRO A 25 -5.487 3.435 9.992 1.00 0.00 N ATOM 375 CA PRO A 25 -4.007 3.236 9.875 1.00 0.00 C ATOM 376 C PRO A 25 -3.514 1.829 10.296 1.00 0.00 C ATOM 377 O PRO A 25 -2.721 1.200 9.588 1.00 0.00 O ATOM 378 CB PRO A 25 -3.424 4.336 10.808 1.00 0.00 C ATOM 379 CG PRO A 25 -4.466 5.412 10.800 1.00 0.00 C ATOM 380 CD PRO A 25 -5.797 4.689 10.745 1.00 0.00 C ATOM 0 HA PRO A 25 -3.684 3.311 8.837 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.252 3.955 11.815 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.467 4.705 10.439 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.394 6.034 11.692 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.342 6.071 9.941 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.177 4.473 11.743 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.556 5.284 10.237 1.00 0.00 H new ATOM 388 N GLU A 26 -4.049 1.315 11.412 1.00 0.00 N ATOM 389 CA GLU A 26 -3.570 0.050 12.025 1.00 0.00 C ATOM 390 C GLU A 26 -4.252 -1.180 11.396 1.00 0.00 C ATOM 391 O GLU A 26 -3.902 -2.318 11.733 1.00 0.00 O ATOM 392 CB GLU A 26 -3.790 0.080 13.558 1.00 0.00 C ATOM 393 CG GLU A 26 -3.057 1.227 14.280 1.00 0.00 C ATOM 394 CD GLU A 26 -3.374 1.286 15.782 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.518 1.654 16.135 1.00 0.00 O ATOM 396 OE2 GLU A 26 -2.495 0.969 16.618 1.00 0.00 O ATOM 0 H GLU A 26 -4.819 1.753 11.918 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.502 -0.036 11.826 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.858 0.163 13.759 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.460 -0.869 13.980 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.982 1.107 14.145 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.332 2.175 13.818 1.00 0.00 H new ATOM 403 N SER A 27 -5.201 -0.940 10.474 1.00 0.00 N ATOM 404 CA SER A 27 -5.871 -2.003 9.713 1.00 0.00 C ATOM 405 C SER A 27 -4.871 -2.658 8.744 1.00 0.00 C ATOM 406 O SER A 27 -4.055 -1.967 8.137 1.00 0.00 O ATOM 407 CB SER A 27 -7.068 -1.419 8.933 1.00 0.00 C ATOM 408 OG SER A 27 -7.707 -2.404 8.148 1.00 0.00 O ATOM 0 H SER A 27 -5.523 -0.002 10.237 1.00 0.00 H new ATOM 0 HA SER A 27 -6.241 -2.760 10.404 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.785 -0.989 9.633 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.724 -0.608 8.291 1.00 0.00 H new ATOM 0 HG SER A 27 -8.508 -2.725 8.613 1.00 0.00 H new ATOM 414 N HIS A 28 -4.909 -3.989 8.652 1.00 0.00 N ATOM 415 CA HIS A 28 -4.070 -4.777 7.739 1.00 0.00 C ATOM 416 C HIS A 28 -4.889 -5.117 6.485 1.00 0.00 C ATOM 417 O HIS A 28 -6.029 -5.564 6.616 1.00 0.00 O ATOM 418 CB HIS A 28 -3.605 -6.061 8.466 1.00 0.00 C ATOM 419 CG HIS A 28 -2.589 -6.898 7.722 1.00 0.00 C ATOM 420 ND1 HIS A 28 -2.894 -7.546 6.553 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.313 -7.195 8.059 1.00 0.00 C ATOM 422 CE1 HIS A 28 -1.815 -8.220 6.222 1.00 0.00 C ATOM 423 NE2 HIS A 28 -0.829 -8.040 7.103 1.00 0.00 N ATOM 0 H HIS A 28 -5.534 -4.562 9.219 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.188 -4.212 7.437 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.182 -5.779 9.430 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.479 -6.679 8.670 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.777 -6.831 8.923 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.736 -8.844 5.344 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.103 -8.453 7.069 1.00 0.00 H new ATOM 431 N ALA A 29 -4.313 -4.885 5.288 1.00 0.00 N ATOM 432 CA ALA A 29 -4.972 -5.172 3.997 1.00 0.00 C ATOM 433 C ALA A 29 -5.551 -6.605 3.949 1.00 0.00 C ATOM 434 O ALA A 29 -6.754 -6.772 3.822 1.00 0.00 O ATOM 435 CB ALA A 29 -4.003 -4.937 2.828 1.00 0.00 C ATOM 0 H ALA A 29 -3.377 -4.493 5.189 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.809 -4.481 3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.509 -5.154 1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.674 -3.898 2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.138 -5.592 2.935 1.00 0.00 H new ATOM 441 N ILE A 30 -4.695 -7.618 4.126 1.00 0.00 N ATOM 442 CA ILE A 30 -5.107 -9.038 4.025 1.00 0.00 C ATOM 443 C ILE A 30 -5.920 -9.472 5.266 1.00 0.00 C ATOM 444 O ILE A 30 -7.061 -9.943 5.139 1.00 0.00 O ATOM 445 CB ILE A 30 -3.854 -9.970 3.844 1.00 0.00 C ATOM 446 CG1 ILE A 30 -3.063 -9.570 2.561 1.00 0.00 C ATOM 447 CG2 ILE A 30 -4.249 -11.469 3.817 1.00 0.00 C ATOM 448 CD1 ILE A 30 -1.775 -10.341 2.335 1.00 0.00 C ATOM 0 H ILE A 30 -3.706 -7.488 4.341 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.745 -9.136 3.147 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.205 -9.830 4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.710 -9.711 1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.828 -8.507 2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.354 -12.079 3.690 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.739 -11.733 4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.932 -11.650 2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.298 -9.992 1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.103 -10.182 3.178 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.998 -11.404 2.245 1.00 0.00 H new ATOM 460 N ASP A 31 -5.324 -9.281 6.456 1.00 0.00 N ATOM 461 CA ASP A 31 -5.874 -9.774 7.738 1.00 0.00 C ATOM 462 C ASP A 31 -7.234 -9.125 8.064 1.00 0.00 C ATOM 463 O ASP A 31 -8.225 -9.833 8.273 1.00 0.00 O ATOM 464 CB ASP A 31 -4.852 -9.534 8.886 1.00 0.00 C ATOM 465 CG ASP A 31 -5.410 -9.838 10.295 1.00 0.00 C ATOM 466 OD1 ASP A 31 -5.455 -11.024 10.691 1.00 0.00 O ATOM 467 OD2 ASP A 31 -5.816 -8.892 11.005 1.00 0.00 O ATOM 0 H ASP A 31 -4.443 -8.778 6.560 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.047 -10.846 7.640 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.973 -10.155 8.712 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.521 -8.496 8.853 1.00 0.00 H new ATOM 472 N ASP A 32 -7.270 -7.782 8.090 1.00 0.00 N ATOM 473 CA ASP A 32 -8.463 -7.021 8.501 1.00 0.00 C ATOM 474 C ASP A 32 -9.407 -6.795 7.299 1.00 0.00 C ATOM 475 O ASP A 32 -10.514 -7.340 7.266 1.00 0.00 O ATOM 476 CB ASP A 32 -8.053 -5.668 9.150 1.00 0.00 C ATOM 477 CG ASP A 32 -9.255 -4.906 9.741 1.00 0.00 C ATOM 478 OD1 ASP A 32 -9.925 -4.140 9.006 1.00 0.00 O ATOM 479 OD2 ASP A 32 -9.550 -5.089 10.940 1.00 0.00 O ATOM 0 H ASP A 32 -6.478 -7.196 7.828 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.002 -7.604 9.248 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.322 -5.854 9.937 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.564 -5.044 8.402 1.00 0.00 H new ATOM 484 N LEU A 33 -8.937 -6.010 6.304 1.00 0.00 N ATOM 485 CA LEU A 33 -9.752 -5.583 5.146 1.00 0.00 C ATOM 486 C LEU A 33 -10.179 -6.781 4.266 1.00 0.00 C ATOM 487 O LEU A 33 -11.237 -6.733 3.636 1.00 0.00 O ATOM 488 CB LEU A 33 -8.985 -4.535 4.293 1.00 0.00 C ATOM 489 CG LEU A 33 -8.591 -3.201 5.005 1.00 0.00 C ATOM 490 CD1 LEU A 33 -7.831 -2.263 4.044 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.820 -2.493 5.619 1.00 0.00 C ATOM 0 H LEU A 33 -7.981 -5.655 6.282 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.658 -5.124 5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.074 -5.002 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.597 -4.289 3.425 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.922 -3.457 5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.569 -1.342 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.922 -2.755 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.464 -2.028 3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.503 -1.570 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.537 -2.261 4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.287 -3.148 6.354 1.00 0.00 H new ATOM 503 N GLY A 34 -9.365 -7.855 4.251 1.00 0.00 N ATOM 504 CA GLY A 34 -9.655 -9.036 3.422 1.00 0.00 C ATOM 505 C GLY A 34 -9.331 -8.806 1.952 1.00 0.00 C ATOM 506 O GLY A 34 -10.081 -9.214 1.057 1.00 0.00 O ATOM 0 H GLY A 34 -8.508 -7.927 4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.079 -9.885 3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.708 -9.298 3.523 1.00 0.00 H new ATOM 510 N ILE A 35 -8.210 -8.125 1.719 1.00 0.00 N ATOM 511 CA ILE A 35 -7.698 -7.800 0.382 1.00 0.00 C ATOM 512 C ILE A 35 -6.826 -8.953 -0.120 1.00 0.00 C ATOM 513 O ILE A 35 -5.899 -9.375 0.575 1.00 0.00 O ATOM 514 CB ILE A 35 -6.864 -6.463 0.429 1.00 0.00 C ATOM 515 CG1 ILE A 35 -7.810 -5.253 0.693 1.00 0.00 C ATOM 516 CG2 ILE A 35 -5.994 -6.255 -0.842 1.00 0.00 C ATOM 517 CD1 ILE A 35 -7.113 -3.914 0.860 1.00 0.00 C ATOM 0 H ILE A 35 -7.616 -7.774 2.470 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.535 -7.659 -0.302 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.160 -6.539 1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.516 -5.177 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.392 -5.456 1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.441 -5.319 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.292 -7.083 -0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.637 -6.216 -1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.856 -3.137 1.039 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.428 -3.963 1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.554 -3.679 -0.046 1.00 0.00 H new ATOM 529 N ASP A 36 -7.134 -9.442 -1.331 1.00 0.00 N ATOM 530 CA ASP A 36 -6.395 -10.536 -1.987 1.00 0.00 C ATOM 531 C ASP A 36 -5.238 -9.954 -2.812 1.00 0.00 C ATOM 532 O ASP A 36 -5.262 -8.764 -3.146 1.00 0.00 O ATOM 533 CB ASP A 36 -7.363 -11.350 -2.891 1.00 0.00 C ATOM 534 CG ASP A 36 -6.710 -12.594 -3.519 1.00 0.00 C ATOM 535 OD1 ASP A 36 -6.556 -13.609 -2.818 1.00 0.00 O ATOM 536 OD2 ASP A 36 -6.339 -12.556 -4.707 1.00 0.00 O ATOM 0 H ASP A 36 -7.910 -9.087 -1.889 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.980 -11.205 -1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.225 -11.660 -2.301 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.736 -10.704 -3.686 1.00 0.00 H new ATOM 541 N SER A 37 -4.220 -10.792 -3.119 1.00 0.00 N ATOM 542 CA SER A 37 -3.077 -10.425 -3.973 1.00 0.00 C ATOM 543 C SER A 37 -3.510 -9.769 -5.302 1.00 0.00 C ATOM 544 O SER A 37 -2.894 -8.792 -5.725 1.00 0.00 O ATOM 545 CB SER A 37 -2.225 -11.678 -4.268 1.00 0.00 C ATOM 546 OG SER A 37 -1.762 -12.280 -3.071 1.00 0.00 O ATOM 0 H SER A 37 -4.173 -11.751 -2.775 1.00 0.00 H new ATOM 0 HA SER A 37 -2.492 -9.687 -3.425 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.817 -12.397 -4.834 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.375 -11.403 -4.892 1.00 0.00 H new ATOM 0 HG SER A 37 -1.227 -13.072 -3.289 1.00 0.00 H new ATOM 552 N LEU A 38 -4.614 -10.271 -5.906 1.00 0.00 N ATOM 553 CA LEU A 38 -5.096 -9.819 -7.230 1.00 0.00 C ATOM 554 C LEU A 38 -5.682 -8.399 -7.148 1.00 0.00 C ATOM 555 O LEU A 38 -5.533 -7.604 -8.079 1.00 0.00 O ATOM 556 CB LEU A 38 -6.147 -10.812 -7.806 1.00 0.00 C ATOM 557 CG LEU A 38 -5.693 -12.308 -7.925 1.00 0.00 C ATOM 558 CD1 LEU A 38 -6.746 -13.163 -8.662 1.00 0.00 C ATOM 559 CD2 LEU A 38 -4.304 -12.425 -8.579 1.00 0.00 C ATOM 0 H LEU A 38 -5.193 -10.999 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.241 -9.795 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.036 -10.773 -7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.441 -10.463 -8.796 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.608 -12.705 -6.913 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.398 -14.194 -8.726 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.688 -13.132 -8.115 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.897 -12.768 -9.667 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.021 -13.475 -8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.335 -11.993 -9.579 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.571 -11.889 -7.975 1.00 0.00 H new ATOM 571 N ASP A 39 -6.330 -8.107 -6.014 1.00 0.00 N ATOM 572 CA ASP A 39 -6.884 -6.773 -5.711 1.00 0.00 C ATOM 573 C ASP A 39 -5.749 -5.791 -5.356 1.00 0.00 C ATOM 574 O ASP A 39 -5.782 -4.617 -5.745 1.00 0.00 O ATOM 575 CB ASP A 39 -7.914 -6.877 -4.548 1.00 0.00 C ATOM 576 CG ASP A 39 -8.431 -5.513 -4.037 1.00 0.00 C ATOM 577 OD1 ASP A 39 -8.868 -4.672 -4.858 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.441 -5.297 -2.812 1.00 0.00 O ATOM 0 H ASP A 39 -6.488 -8.791 -5.274 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.398 -6.391 -6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.763 -7.473 -4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.455 -7.413 -3.718 1.00 0.00 H new ATOM 583 N PHE A 40 -4.729 -6.300 -4.636 1.00 0.00 N ATOM 584 CA PHE A 40 -3.587 -5.496 -4.178 1.00 0.00 C ATOM 585 C PHE A 40 -2.671 -5.117 -5.366 1.00 0.00 C ATOM 586 O PHE A 40 -1.901 -4.162 -5.268 1.00 0.00 O ATOM 587 CB PHE A 40 -2.798 -6.227 -3.055 1.00 0.00 C ATOM 588 CG PHE A 40 -1.948 -5.287 -2.197 1.00 0.00 C ATOM 589 CD1 PHE A 40 -2.506 -4.630 -1.098 1.00 0.00 C ATOM 590 CD2 PHE A 40 -0.615 -5.024 -2.509 1.00 0.00 C ATOM 591 CE1 PHE A 40 -1.758 -3.763 -0.330 1.00 0.00 C ATOM 592 CE2 PHE A 40 0.134 -4.148 -1.740 1.00 0.00 C ATOM 593 CZ PHE A 40 -0.444 -3.515 -0.656 1.00 0.00 C ATOM 0 H PHE A 40 -4.677 -7.280 -4.358 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.973 -4.571 -3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.502 -6.756 -2.413 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.151 -6.979 -3.507 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.541 -4.804 -0.845 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.161 -5.509 -3.360 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.203 -3.279 0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.168 -3.960 -1.987 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.137 -2.824 -0.063 1.00 0.00 H new ATOM 603 N LEU A 41 -2.743 -5.894 -6.474 1.00 0.00 N ATOM 604 CA LEU A 41 -2.076 -5.532 -7.745 1.00 0.00 C ATOM 605 C LEU A 41 -2.568 -4.144 -8.213 1.00 0.00 C ATOM 606 O LEU A 41 -1.763 -3.273 -8.538 1.00 0.00 O ATOM 607 CB LEU A 41 -2.368 -6.584 -8.843 1.00 0.00 C ATOM 608 CG LEU A 41 -1.814 -8.018 -8.588 1.00 0.00 C ATOM 609 CD1 LEU A 41 -2.318 -9.013 -9.651 1.00 0.00 C ATOM 610 CD2 LEU A 41 -0.271 -8.021 -8.511 1.00 0.00 C ATOM 0 H LEU A 41 -3.256 -6.775 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.000 -5.503 -7.573 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.448 -6.652 -8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.956 -6.220 -9.784 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.194 -8.346 -7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.913 -10.003 -9.443 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.407 -9.053 -9.624 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.991 -8.687 -10.638 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.082 -9.037 -8.332 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.141 -7.654 -9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.054 -7.375 -7.695 1.00 0.00 H new ATOM 622 N ASP A 42 -3.909 -3.965 -8.181 1.00 0.00 N ATOM 623 CA ASP A 42 -4.599 -2.711 -8.562 1.00 0.00 C ATOM 624 C ASP A 42 -4.291 -1.570 -7.578 1.00 0.00 C ATOM 625 O ASP A 42 -4.205 -0.413 -7.986 1.00 0.00 O ATOM 626 CB ASP A 42 -6.131 -2.930 -8.629 1.00 0.00 C ATOM 627 CG ASP A 42 -6.551 -3.908 -9.724 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.559 -5.127 -9.472 1.00 0.00 O ATOM 629 OD2 ASP A 42 -6.862 -3.459 -10.857 1.00 0.00 O ATOM 0 H ASP A 42 -4.552 -4.700 -7.885 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.227 -2.427 -9.546 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.481 -3.301 -7.666 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.622 -1.972 -8.799 1.00 0.00 H new ATOM 634 N ILE A 43 -4.149 -1.914 -6.283 1.00 0.00 N ATOM 635 CA ILE A 43 -3.818 -0.937 -5.220 1.00 0.00 C ATOM 636 C ILE A 43 -2.416 -0.357 -5.453 1.00 0.00 C ATOM 637 O ILE A 43 -2.240 0.856 -5.539 1.00 0.00 O ATOM 638 CB ILE A 43 -3.885 -1.606 -3.795 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.343 -2.061 -3.480 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.329 -0.676 -2.679 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.502 -2.767 -2.148 1.00 0.00 C ATOM 0 H ILE A 43 -4.259 -2.869 -5.943 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.554 -0.134 -5.260 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.241 -2.485 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.995 -1.188 -3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.683 -2.726 -4.274 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.397 -1.182 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.287 -0.437 -2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.913 0.244 -2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.545 -3.049 -2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.879 -3.661 -2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.196 -2.099 -1.343 1.00 0.00 H new ATOM 653 N ALA A 44 -1.451 -1.272 -5.600 1.00 0.00 N ATOM 654 CA ALA A 44 -0.026 -0.927 -5.759 1.00 0.00 C ATOM 655 C ALA A 44 0.224 -0.214 -7.102 1.00 0.00 C ATOM 656 O ALA A 44 1.140 0.605 -7.217 1.00 0.00 O ATOM 657 CB ALA A 44 0.837 -2.189 -5.645 1.00 0.00 C ATOM 0 H ALA A 44 -1.632 -2.276 -5.613 1.00 0.00 H new ATOM 0 HA ALA A 44 0.253 -0.239 -4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.887 -1.923 -5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.687 -2.646 -4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.551 -2.897 -6.423 1.00 0.00 H new ATOM 663 N PHE A 45 -0.619 -0.545 -8.098 1.00 0.00 N ATOM 664 CA PHE A 45 -0.567 0.060 -9.444 1.00 0.00 C ATOM 665 C PHE A 45 -1.162 1.476 -9.430 1.00 0.00 C ATOM 666 O PHE A 45 -0.655 2.377 -10.106 1.00 0.00 O ATOM 667 CB PHE A 45 -1.308 -0.841 -10.462 1.00 0.00 C ATOM 668 CG PHE A 45 -1.036 -0.501 -11.924 1.00 0.00 C ATOM 669 CD1 PHE A 45 0.226 -0.728 -12.475 1.00 0.00 C ATOM 670 CD2 PHE A 45 -2.027 0.037 -12.743 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.485 -0.433 -13.799 1.00 0.00 C ATOM 672 CE2 PHE A 45 -1.767 0.330 -14.068 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.511 0.099 -14.595 1.00 0.00 C ATOM 0 H PHE A 45 -1.357 -1.241 -7.993 1.00 0.00 H new ATOM 0 HA PHE A 45 0.476 0.141 -9.749 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.023 -1.878 -10.284 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.380 -0.769 -10.279 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.011 -1.140 -11.858 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.010 0.227 -12.337 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.466 -0.618 -14.212 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.547 0.740 -14.693 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.308 0.334 -15.629 1.00 0.00 H new ATOM 683 N ALA A 46 -2.241 1.662 -8.655 1.00 0.00 N ATOM 684 CA ALA A 46 -2.895 2.975 -8.509 1.00 0.00 C ATOM 685 C ALA A 46 -2.001 3.937 -7.702 1.00 0.00 C ATOM 686 O ALA A 46 -1.946 5.112 -8.004 1.00 0.00 O ATOM 687 CB ALA A 46 -4.276 2.821 -7.857 1.00 0.00 C ATOM 0 H ALA A 46 -2.682 0.917 -8.116 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.040 3.403 -9.501 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.743 3.801 -7.758 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.903 2.182 -8.479 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.165 2.371 -6.871 1.00 0.00 H new ATOM 693 N ILE A 47 -1.295 3.398 -6.691 1.00 0.00 N ATOM 694 CA ILE A 47 -0.293 4.141 -5.882 1.00 0.00 C ATOM 695 C ILE A 47 0.923 4.533 -6.750 1.00 0.00 C ATOM 696 O ILE A 47 1.425 5.661 -6.666 1.00 0.00 O ATOM 697 CB ILE A 47 0.168 3.260 -4.655 1.00 0.00 C ATOM 698 CG1 ILE A 47 -0.999 3.096 -3.626 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.442 3.815 -3.967 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.790 2.013 -2.573 1.00 0.00 C ATOM 0 H ILE A 47 -1.400 2.425 -6.405 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.754 5.055 -5.508 1.00 0.00 H new ATOM 0 HB ILE A 47 0.430 2.278 -5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.151 4.049 -3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.916 2.876 -4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.714 3.171 -3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.261 3.842 -4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.248 4.823 -3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.654 1.980 -1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.672 1.047 -3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.105 2.238 -1.993 1.00 0.00 H new ATOM 712 N ASP A 48 1.358 3.578 -7.584 1.00 0.00 N ATOM 713 CA ASP A 48 2.482 3.744 -8.528 1.00 0.00 C ATOM 714 C ASP A 48 2.253 4.982 -9.431 1.00 0.00 C ATOM 715 O ASP A 48 3.148 5.818 -9.627 1.00 0.00 O ATOM 716 CB ASP A 48 2.610 2.441 -9.369 1.00 0.00 C ATOM 717 CG ASP A 48 3.779 2.433 -10.364 1.00 0.00 C ATOM 718 OD1 ASP A 48 4.889 1.988 -9.997 1.00 0.00 O ATOM 719 OD2 ASP A 48 3.589 2.848 -11.526 1.00 0.00 O ATOM 0 H ASP A 48 0.934 2.651 -7.625 1.00 0.00 H new ATOM 0 HA ASP A 48 3.411 3.913 -7.984 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.723 1.596 -8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.682 2.287 -9.919 1.00 0.00 H new ATOM 724 N LYS A 49 1.010 5.109 -9.919 1.00 0.00 N ATOM 725 CA LYS A 49 0.595 6.179 -10.838 1.00 0.00 C ATOM 726 C LYS A 49 0.223 7.480 -10.091 1.00 0.00 C ATOM 727 O LYS A 49 0.522 8.584 -10.574 1.00 0.00 O ATOM 728 CB LYS A 49 -0.588 5.675 -11.698 1.00 0.00 C ATOM 729 CG LYS A 49 -0.242 4.446 -12.568 1.00 0.00 C ATOM 730 CD LYS A 49 -1.451 3.918 -13.375 1.00 0.00 C ATOM 731 CE LYS A 49 -2.016 4.960 -14.358 1.00 0.00 C ATOM 732 NZ LYS A 49 -0.997 5.442 -15.318 1.00 0.00 N ATOM 0 H LYS A 49 0.256 4.464 -9.684 1.00 0.00 H new ATOM 0 HA LYS A 49 1.439 6.426 -11.482 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.421 5.422 -11.042 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.926 6.484 -12.345 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.561 4.710 -13.257 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.136 3.649 -11.928 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.151 3.028 -13.929 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.237 3.613 -12.684 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.850 4.523 -14.907 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.412 5.807 -13.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.448 6.063 -16.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.263 5.973 -14.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.564 4.630 -15.802 1.00 0.00 H new ATOM 746 N ALA A 50 -0.413 7.340 -8.910 1.00 0.00 N ATOM 747 CA ALA A 50 -0.965 8.486 -8.142 1.00 0.00 C ATOM 748 C ALA A 50 0.151 9.342 -7.536 1.00 0.00 C ATOM 749 O ALA A 50 0.187 10.560 -7.724 1.00 0.00 O ATOM 750 CB ALA A 50 -1.908 7.996 -7.035 1.00 0.00 C ATOM 0 H ALA A 50 -0.560 6.437 -8.460 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.530 9.104 -8.840 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.300 8.852 -6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.734 7.441 -7.480 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.361 7.347 -6.352 1.00 0.00 H new ATOM 756 N PHE A 51 1.063 8.674 -6.821 1.00 0.00 N ATOM 757 CA PHE A 51 2.211 9.321 -6.169 1.00 0.00 C ATOM 758 C PHE A 51 3.326 9.620 -7.185 1.00 0.00 C ATOM 759 O PHE A 51 4.203 10.429 -6.904 1.00 0.00 O ATOM 760 CB PHE A 51 2.764 8.431 -5.029 1.00 0.00 C ATOM 761 CG PHE A 51 1.817 8.243 -3.840 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.786 7.306 -3.883 1.00 0.00 C ATOM 763 CD2 PHE A 51 1.970 8.994 -2.671 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.049 7.113 -2.800 1.00 0.00 C ATOM 765 CE2 PHE A 51 1.131 8.802 -1.592 1.00 0.00 C ATOM 766 CZ PHE A 51 0.124 7.863 -1.659 1.00 0.00 C ATOM 0 H PHE A 51 1.027 7.665 -6.677 1.00 0.00 H new ATOM 0 HA PHE A 51 1.865 10.264 -5.746 1.00 0.00 H new ATOM 0 HB2 PHE A 51 3.008 7.451 -5.439 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.696 8.866 -4.667 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.638 6.721 -4.779 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.755 9.734 -2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.836 6.375 -2.848 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.264 9.388 -0.694 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.531 7.715 -0.813 1.00 0.00 H new ATOM 776 N GLY A 52 3.286 8.953 -8.359 1.00 0.00 N ATOM 777 CA GLY A 52 4.325 9.123 -9.384 1.00 0.00 C ATOM 778 C GLY A 52 5.658 8.544 -8.928 1.00 0.00 C ATOM 779 O GLY A 52 6.698 9.223 -8.953 1.00 0.00 O ATOM 0 H GLY A 52 2.548 8.297 -8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.011 8.634 -10.306 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.445 10.183 -9.610 1.00 0.00 H new ATOM 783 N ILE A 53 5.594 7.294 -8.464 1.00 0.00 N ATOM 784 CA ILE A 53 6.751 6.529 -7.956 1.00 0.00 C ATOM 785 C ILE A 53 6.736 5.129 -8.571 1.00 0.00 C ATOM 786 O ILE A 53 5.696 4.675 -9.038 1.00 0.00 O ATOM 787 CB ILE A 53 6.721 6.398 -6.383 1.00 0.00 C ATOM 788 CG1 ILE A 53 5.359 5.780 -5.909 1.00 0.00 C ATOM 789 CG2 ILE A 53 7.000 7.762 -5.709 1.00 0.00 C ATOM 790 CD1 ILE A 53 5.240 5.547 -4.417 1.00 0.00 C ATOM 0 H ILE A 53 4.721 6.768 -8.427 1.00 0.00 H new ATOM 0 HA ILE A 53 7.658 7.066 -8.235 1.00 0.00 H new ATOM 0 HB ILE A 53 7.516 5.719 -6.076 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.550 6.440 -6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.212 4.829 -6.422 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.974 7.645 -4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.983 8.123 -6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.240 8.481 -6.015 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.263 5.118 -4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.021 4.860 -4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.349 6.495 -3.891 1.00 0.00 H new ATOM 802 N LYS A 54 7.885 4.446 -8.556 1.00 0.00 N ATOM 803 CA LYS A 54 7.976 3.049 -8.996 1.00 0.00 C ATOM 804 C LYS A 54 7.841 2.144 -7.768 1.00 0.00 C ATOM 805 O LYS A 54 8.809 1.958 -7.021 1.00 0.00 O ATOM 806 CB LYS A 54 9.310 2.778 -9.746 1.00 0.00 C ATOM 807 CG LYS A 54 9.410 1.354 -10.343 1.00 0.00 C ATOM 808 CD LYS A 54 10.758 1.074 -11.046 1.00 0.00 C ATOM 809 CE LYS A 54 11.956 1.087 -10.078 1.00 0.00 C ATOM 810 NZ LYS A 54 13.237 0.793 -10.773 1.00 0.00 N ATOM 0 H LYS A 54 8.771 4.841 -8.242 1.00 0.00 H new ATOM 0 HA LYS A 54 7.171 2.837 -9.700 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.420 3.507 -10.549 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.141 2.933 -9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.266 0.624 -9.547 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.600 1.210 -11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.709 0.104 -11.541 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.918 1.821 -11.823 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.021 2.062 -9.595 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.794 0.351 -9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.017 0.812 -10.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.185 -0.148 -11.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.406 1.510 -11.508 1.00 0.00 H new ATOM 824 N LEU A 55 6.621 1.644 -7.523 1.00 0.00 N ATOM 825 CA LEU A 55 6.352 0.692 -6.447 1.00 0.00 C ATOM 826 C LEU A 55 6.705 -0.714 -6.978 1.00 0.00 C ATOM 827 O LEU A 55 6.010 -1.216 -7.877 1.00 0.00 O ATOM 828 CB LEU A 55 4.860 0.812 -5.969 1.00 0.00 C ATOM 829 CG LEU A 55 4.490 0.118 -4.600 1.00 0.00 C ATOM 830 CD1 LEU A 55 3.162 0.665 -4.038 1.00 0.00 C ATOM 831 CD2 LEU A 55 4.416 -1.430 -4.705 1.00 0.00 C ATOM 0 H LEU A 55 5.795 1.892 -8.069 1.00 0.00 H new ATOM 0 HA LEU A 55 6.961 0.900 -5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.613 1.871 -5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.220 0.393 -6.746 1.00 0.00 H new ATOM 0 HG LEU A 55 5.301 0.361 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.934 0.168 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.253 1.738 -3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.360 0.476 -4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.158 -1.849 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.655 -1.709 -5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.383 -1.820 -5.023 1.00 0.00 H new ATOM 843 N PRO A 56 7.793 -1.378 -6.455 1.00 0.00 N ATOM 844 CA PRO A 56 8.154 -2.732 -6.887 1.00 0.00 C ATOM 845 C PRO A 56 7.408 -3.789 -6.053 1.00 0.00 C ATOM 846 O PRO A 56 7.952 -4.357 -5.101 1.00 0.00 O ATOM 847 CB PRO A 56 9.690 -2.744 -6.666 1.00 0.00 C ATOM 848 CG PRO A 56 9.907 -1.866 -5.454 1.00 0.00 C ATOM 849 CD PRO A 56 8.740 -0.875 -5.413 1.00 0.00 C ATOM 0 HA PRO A 56 7.882 -2.972 -7.915 1.00 0.00 H new ATOM 0 HB2 PRO A 56 10.058 -3.755 -6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.219 -2.356 -7.537 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.939 -2.464 -4.543 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.859 -1.340 -5.523 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.273 -0.851 -4.429 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.072 0.140 -5.633 1.00 0.00 H new ATOM 857 N LEU A 57 6.144 -4.056 -6.438 1.00 0.00 N ATOM 858 CA LEU A 57 5.302 -5.048 -5.750 1.00 0.00 C ATOM 859 C LEU A 57 5.850 -6.457 -6.001 1.00 0.00 C ATOM 860 O LEU A 57 5.695 -7.343 -5.168 1.00 0.00 O ATOM 861 CB LEU A 57 3.815 -4.948 -6.190 1.00 0.00 C ATOM 862 CG LEU A 57 2.823 -5.878 -5.409 1.00 0.00 C ATOM 863 CD1 LEU A 57 2.835 -5.573 -3.893 1.00 0.00 C ATOM 864 CD2 LEU A 57 1.398 -5.797 -5.991 1.00 0.00 C ATOM 0 H LEU A 57 5.685 -3.596 -7.224 1.00 0.00 H new ATOM 0 HA LEU A 57 5.334 -4.836 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.487 -3.915 -6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.750 -5.185 -7.252 1.00 0.00 H new ATOM 0 HG LEU A 57 3.169 -6.904 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.136 -6.236 -3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.839 -5.731 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.539 -4.537 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.736 -6.454 -5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.035 -4.771 -5.924 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.413 -6.108 -7.035 1.00 0.00 H new ATOM 876 N GLU A 58 6.521 -6.628 -7.160 1.00 0.00 N ATOM 877 CA GLU A 58 7.232 -7.867 -7.520 1.00 0.00 C ATOM 878 C GLU A 58 8.267 -8.256 -6.446 1.00 0.00 C ATOM 879 O GLU A 58 8.491 -9.440 -6.196 1.00 0.00 O ATOM 880 CB GLU A 58 7.916 -7.704 -8.896 1.00 0.00 C ATOM 881 CG GLU A 58 8.974 -6.583 -8.963 1.00 0.00 C ATOM 882 CD GLU A 58 9.597 -6.433 -10.358 1.00 0.00 C ATOM 883 OE1 GLU A 58 9.004 -5.734 -11.215 1.00 0.00 O ATOM 884 OE2 GLU A 58 10.671 -7.017 -10.610 1.00 0.00 O ATOM 0 H GLU A 58 6.583 -5.903 -7.875 1.00 0.00 H new ATOM 0 HA GLU A 58 6.500 -8.672 -7.579 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.390 -8.648 -9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.150 -7.507 -9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.514 -5.638 -8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.762 -6.790 -8.239 1.00 0.00 H new ATOM 891 N LYS A 59 8.874 -7.242 -5.803 1.00 0.00 N ATOM 892 CA LYS A 59 9.807 -7.446 -4.696 1.00 0.00 C ATOM 893 C LYS A 59 9.030 -7.702 -3.398 1.00 0.00 C ATOM 894 O LYS A 59 9.302 -8.671 -2.725 1.00 0.00 O ATOM 895 CB LYS A 59 10.769 -6.238 -4.525 1.00 0.00 C ATOM 896 CG LYS A 59 11.739 -6.386 -3.329 1.00 0.00 C ATOM 897 CD LYS A 59 12.847 -5.319 -3.283 1.00 0.00 C ATOM 898 CE LYS A 59 13.759 -5.490 -2.048 1.00 0.00 C ATOM 899 NZ LYS A 59 14.336 -6.862 -1.952 1.00 0.00 N ATOM 0 H LYS A 59 8.727 -6.261 -6.041 1.00 0.00 H new ATOM 0 HA LYS A 59 10.418 -8.318 -4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.349 -6.113 -5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.180 -5.330 -4.395 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.166 -6.340 -2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.201 -7.372 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.448 -5.381 -4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.396 -4.327 -3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.568 -4.761 -2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.187 -5.275 -1.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.871 -6.952 -1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.568 -7.563 -1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.972 -7.028 -2.758 1.00 0.00 H new ATOM 913 N TRP A 60 8.041 -6.840 -3.090 1.00 0.00 N ATOM 914 CA TRP A 60 7.318 -6.844 -1.786 1.00 0.00 C ATOM 915 C TRP A 60 6.598 -8.193 -1.534 1.00 0.00 C ATOM 916 O TRP A 60 6.713 -8.778 -0.444 1.00 0.00 O ATOM 917 CB TRP A 60 6.315 -5.655 -1.727 1.00 0.00 C ATOM 918 CG TRP A 60 6.956 -4.274 -1.767 1.00 0.00 C ATOM 919 CD1 TRP A 60 8.256 -3.961 -2.065 1.00 0.00 C ATOM 920 CD2 TRP A 60 6.312 -3.020 -1.488 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.444 -2.610 -2.012 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.276 -2.009 -1.650 1.00 0.00 C ATOM 923 CE3 TRP A 60 5.015 -2.655 -1.117 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.992 -0.662 -1.459 1.00 0.00 C ATOM 925 CZ3 TRP A 60 4.734 -1.316 -0.921 1.00 0.00 C ATOM 926 CH2 TRP A 60 5.718 -0.332 -1.099 1.00 0.00 C ATOM 0 H TRP A 60 7.715 -6.118 -3.733 1.00 0.00 H new ATOM 0 HA TRP A 60 8.054 -6.721 -0.991 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.621 -5.742 -2.563 1.00 0.00 H new ATOM 0 HB3 TRP A 60 5.726 -5.740 -0.814 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.023 -4.681 -2.308 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.320 -2.127 -2.212 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.248 -3.404 -0.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.751 0.095 -1.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.738 -1.022 -0.625 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.462 0.706 -0.948 1.00 0.00 H new ATOM 937 N THR A 61 5.849 -8.649 -2.558 1.00 0.00 N ATOM 938 CA THR A 61 5.257 -10.000 -2.631 1.00 0.00 C ATOM 939 C THR A 61 6.321 -11.108 -2.389 1.00 0.00 C ATOM 940 O THR A 61 6.105 -12.023 -1.589 1.00 0.00 O ATOM 941 CB THR A 61 4.565 -10.198 -4.035 1.00 0.00 C ATOM 942 OG1 THR A 61 3.605 -9.145 -4.253 1.00 0.00 O ATOM 943 CG2 THR A 61 3.857 -11.557 -4.168 1.00 0.00 C ATOM 0 H THR A 61 5.634 -8.076 -3.374 1.00 0.00 H new ATOM 0 HA THR A 61 4.511 -10.089 -1.841 1.00 0.00 H new ATOM 0 HB THR A 61 5.356 -10.166 -4.785 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.073 -8.324 -4.512 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.400 -11.634 -5.155 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.583 -12.360 -4.040 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.085 -11.641 -3.403 1.00 0.00 H new ATOM 951 N GLN A 62 7.484 -10.965 -3.062 1.00 0.00 N ATOM 952 CA GLN A 62 8.613 -11.923 -2.973 1.00 0.00 C ATOM 953 C GLN A 62 9.212 -11.975 -1.557 1.00 0.00 C ATOM 954 O GLN A 62 9.584 -13.048 -1.091 1.00 0.00 O ATOM 955 CB GLN A 62 9.709 -11.566 -4.019 1.00 0.00 C ATOM 956 CG GLN A 62 10.973 -12.458 -3.996 1.00 0.00 C ATOM 957 CD GLN A 62 10.706 -13.944 -4.279 1.00 0.00 C ATOM 958 OE1 GLN A 62 9.791 -14.305 -5.017 1.00 0.00 O ATOM 959 NE2 GLN A 62 11.515 -14.811 -3.699 1.00 0.00 N ATOM 0 H GLN A 62 7.669 -10.179 -3.685 1.00 0.00 H new ATOM 0 HA GLN A 62 8.221 -12.915 -3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.267 -11.619 -5.014 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.014 -10.532 -3.860 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.682 -12.082 -4.734 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.450 -12.366 -3.020 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.265 -14.481 -3.092 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.390 -15.811 -3.858 1.00 0.00 H new ATOM 968 N GLU A 63 9.285 -10.817 -0.883 1.00 0.00 N ATOM 969 CA GLU A 63 9.831 -10.714 0.483 1.00 0.00 C ATOM 970 C GLU A 63 9.019 -11.590 1.448 1.00 0.00 C ATOM 971 O GLU A 63 9.581 -12.316 2.269 1.00 0.00 O ATOM 972 CB GLU A 63 9.830 -9.245 0.974 1.00 0.00 C ATOM 973 CG GLU A 63 10.583 -8.241 0.080 1.00 0.00 C ATOM 974 CD GLU A 63 12.037 -8.640 -0.229 1.00 0.00 C ATOM 975 OE1 GLU A 63 12.909 -8.431 0.635 1.00 0.00 O ATOM 976 OE2 GLU A 63 12.321 -9.152 -1.338 1.00 0.00 O ATOM 0 H GLU A 63 8.969 -9.926 -1.267 1.00 0.00 H new ATOM 0 HA GLU A 63 10.862 -11.067 0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.796 -8.914 1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.268 -9.214 1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.041 -8.130 -0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.581 -7.266 0.566 1.00 0.00 H new ATOM 983 N VAL A 64 7.689 -11.545 1.296 1.00 0.00 N ATOM 984 CA VAL A 64 6.752 -12.328 2.113 1.00 0.00 C ATOM 985 C VAL A 64 6.830 -13.831 1.754 1.00 0.00 C ATOM 986 O VAL A 64 6.977 -14.686 2.638 1.00 0.00 O ATOM 987 CB VAL A 64 5.283 -11.792 1.931 1.00 0.00 C ATOM 988 CG1 VAL A 64 4.262 -12.617 2.764 1.00 0.00 C ATOM 989 CG2 VAL A 64 5.204 -10.273 2.277 1.00 0.00 C ATOM 0 H VAL A 64 7.230 -10.960 0.598 1.00 0.00 H new ATOM 0 HA VAL A 64 7.036 -12.215 3.159 1.00 0.00 H new ATOM 0 HB VAL A 64 5.012 -11.915 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.260 -12.216 2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.289 -13.659 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.521 -12.555 3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.180 -9.922 2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.509 -10.119 3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.867 -9.714 1.616 1.00 0.00 H new ATOM 999 N ASN A 65 6.747 -14.123 0.441 1.00 0.00 N ATOM 1000 CA ASN A 65 6.765 -15.503 -0.106 1.00 0.00 C ATOM 1001 C ASN A 65 8.067 -16.255 0.209 1.00 0.00 C ATOM 1002 O ASN A 65 8.054 -17.482 0.348 1.00 0.00 O ATOM 1003 CB ASN A 65 6.531 -15.491 -1.647 1.00 0.00 C ATOM 1004 CG ASN A 65 5.118 -15.073 -2.052 1.00 0.00 C ATOM 1005 OD1 ASN A 65 4.155 -15.283 -1.315 1.00 0.00 O ATOM 1006 ND2 ASN A 65 4.980 -14.516 -3.243 1.00 0.00 N ATOM 0 H ASN A 65 6.665 -13.405 -0.279 1.00 0.00 H new ATOM 0 HA ASN A 65 5.951 -16.035 0.387 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.247 -14.812 -2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.734 -16.486 -2.044 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.054 -14.246 -3.576 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.799 -14.356 -3.829 1.00 0.00 H new ATOM 1013 N ASP A 66 9.189 -15.523 0.302 1.00 0.00 N ATOM 1014 CA ASP A 66 10.527 -16.105 0.549 1.00 0.00 C ATOM 1015 C ASP A 66 10.873 -16.089 2.060 1.00 0.00 C ATOM 1016 O ASP A 66 11.961 -16.513 2.467 1.00 0.00 O ATOM 1017 CB ASP A 66 11.582 -15.330 -0.297 1.00 0.00 C ATOM 1018 CG ASP A 66 12.928 -16.057 -0.456 1.00 0.00 C ATOM 1019 OD1 ASP A 66 12.918 -17.273 -0.737 1.00 0.00 O ATOM 1020 OD2 ASP A 66 13.992 -15.411 -0.360 1.00 0.00 O ATOM 0 H ASP A 66 9.198 -14.507 0.208 1.00 0.00 H new ATOM 0 HA ASP A 66 10.532 -17.151 0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.167 -15.139 -1.287 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.760 -14.360 0.167 1.00 0.00 H new ATOM 1025 N GLY A 67 9.924 -15.583 2.874 1.00 0.00 N ATOM 1026 CA GLY A 67 10.042 -15.565 4.336 1.00 0.00 C ATOM 1027 C GLY A 67 11.049 -14.544 4.855 1.00 0.00 C ATOM 1028 O GLY A 67 11.503 -14.637 5.994 1.00 0.00 O ATOM 0 H GLY A 67 9.055 -15.176 2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.065 -15.351 4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.333 -16.557 4.681 1.00 0.00 H new ATOM 1032 N LYS A 68 11.412 -13.573 4.003 1.00 0.00 N ATOM 1033 CA LYS A 68 12.371 -12.502 4.346 1.00 0.00 C ATOM 1034 C LYS A 68 11.654 -11.302 4.990 1.00 0.00 C ATOM 1035 O LYS A 68 12.293 -10.434 5.591 1.00 0.00 O ATOM 1036 CB LYS A 68 13.144 -12.071 3.074 1.00 0.00 C ATOM 1037 CG LYS A 68 13.863 -13.237 2.353 1.00 0.00 C ATOM 1038 CD LYS A 68 14.843 -14.003 3.280 1.00 0.00 C ATOM 1039 CE LYS A 68 15.537 -15.181 2.576 1.00 0.00 C ATOM 1040 NZ LYS A 68 16.297 -14.746 1.371 1.00 0.00 N ATOM 0 H LYS A 68 11.049 -13.505 3.052 1.00 0.00 H new ATOM 0 HA LYS A 68 13.081 -12.886 5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.448 -11.601 2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.881 -11.316 3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.119 -13.932 1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.411 -12.846 1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.600 -13.311 3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.298 -14.375 4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.215 -15.671 3.274 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.790 -15.920 2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.156 -15.324 1.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.704 -14.864 0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.563 -13.745 1.471 1.00 0.00 H new ATOM 1054 N ALA A 69 10.321 -11.303 4.884 1.00 0.00 N ATOM 1055 CA ALA A 69 9.451 -10.259 5.437 1.00 0.00 C ATOM 1056 C ALA A 69 8.059 -10.828 5.694 1.00 0.00 C ATOM 1057 O ALA A 69 7.722 -11.918 5.213 1.00 0.00 O ATOM 1058 CB ALA A 69 9.371 -9.048 4.490 1.00 0.00 C ATOM 0 H ALA A 69 9.807 -12.042 4.403 1.00 0.00 H new ATOM 0 HA ALA A 69 9.877 -9.918 6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.720 -8.289 4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.368 -8.632 4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.968 -9.364 3.528 1.00 0.00 H new ATOM 1064 N THR A 70 7.274 -10.078 6.464 1.00 0.00 N ATOM 1065 CA THR A 70 5.886 -10.426 6.783 1.00 0.00 C ATOM 1066 C THR A 70 4.924 -9.489 6.046 1.00 0.00 C ATOM 1067 O THR A 70 5.310 -8.385 5.619 1.00 0.00 O ATOM 1068 CB THR A 70 5.632 -10.362 8.324 1.00 0.00 C ATOM 1069 OG1 THR A 70 6.030 -9.081 8.834 1.00 0.00 O ATOM 1070 CG2 THR A 70 6.393 -11.473 9.068 1.00 0.00 C ATOM 0 H THR A 70 7.583 -9.204 6.889 1.00 0.00 H new ATOM 0 HA THR A 70 5.706 -11.449 6.453 1.00 0.00 H new ATOM 0 HB THR A 70 4.565 -10.510 8.492 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.866 -9.048 9.800 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.193 -11.398 10.137 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.063 -12.446 8.705 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.463 -11.363 8.890 1.00 0.00 H new ATOM 1078 N THR A 71 3.670 -9.955 5.909 1.00 0.00 N ATOM 1079 CA THR A 71 2.592 -9.180 5.276 1.00 0.00 C ATOM 1080 C THR A 71 2.363 -7.834 5.999 1.00 0.00 C ATOM 1081 O THR A 71 2.056 -6.839 5.357 1.00 0.00 O ATOM 1082 CB THR A 71 1.254 -9.982 5.234 1.00 0.00 C ATOM 1083 OG1 THR A 71 0.889 -10.392 6.559 1.00 0.00 O ATOM 1084 CG2 THR A 71 1.344 -11.212 4.326 1.00 0.00 C ATOM 0 H THR A 71 3.378 -10.877 6.233 1.00 0.00 H new ATOM 0 HA THR A 71 2.912 -8.981 4.253 1.00 0.00 H new ATOM 0 HB THR A 71 0.492 -9.320 4.822 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.048 -10.893 6.526 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.389 -11.737 4.329 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.581 -10.897 3.310 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.126 -11.878 4.692 1.00 0.00 H new ATOM 1092 N GLU A 72 2.563 -7.827 7.333 1.00 0.00 N ATOM 1093 CA GLU A 72 2.401 -6.630 8.186 1.00 0.00 C ATOM 1094 C GLU A 72 3.159 -5.401 7.614 1.00 0.00 C ATOM 1095 O GLU A 72 2.579 -4.324 7.461 1.00 0.00 O ATOM 1096 CB GLU A 72 2.899 -6.959 9.622 1.00 0.00 C ATOM 1097 CG GLU A 72 2.814 -5.788 10.627 1.00 0.00 C ATOM 1098 CD GLU A 72 3.299 -6.154 12.040 1.00 0.00 C ATOM 1099 OE1 GLU A 72 4.526 -6.127 12.293 1.00 0.00 O ATOM 1100 OE2 GLU A 72 2.458 -6.460 12.911 1.00 0.00 O ATOM 0 H GLU A 72 2.844 -8.658 7.853 1.00 0.00 H new ATOM 0 HA GLU A 72 1.344 -6.365 8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.316 -7.794 10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.935 -7.293 9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.408 -4.955 10.252 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.782 -5.443 10.684 1.00 0.00 H new ATOM 1107 N GLN A 73 4.435 -5.617 7.251 1.00 0.00 N ATOM 1108 CA GLN A 73 5.344 -4.549 6.776 1.00 0.00 C ATOM 1109 C GLN A 73 4.853 -3.867 5.471 1.00 0.00 C ATOM 1110 O GLN A 73 5.096 -2.670 5.262 1.00 0.00 O ATOM 1111 CB GLN A 73 6.773 -5.126 6.577 1.00 0.00 C ATOM 1112 CG GLN A 73 7.857 -4.080 6.210 1.00 0.00 C ATOM 1113 CD GLN A 73 9.278 -4.641 6.050 1.00 0.00 C ATOM 1114 OE1 GLN A 73 9.410 -5.867 5.566 1.00 0.00 O flip ATOM 1115 NE2 GLN A 73 10.262 -3.960 6.343 1.00 0.00 N flip ATOM 0 H GLN A 73 4.870 -6.539 7.277 1.00 0.00 H new ATOM 0 HA GLN A 73 5.357 -3.775 7.544 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.075 -5.633 7.493 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.738 -5.881 5.792 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.569 -3.593 5.279 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.872 -3.310 6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.138 -3.018 6.714 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.201 -4.338 6.214 1.00 0.00 H new ATOM 1124 N TYR A 74 4.144 -4.618 4.606 1.00 0.00 N ATOM 1125 CA TYR A 74 3.770 -4.139 3.249 1.00 0.00 C ATOM 1126 C TYR A 74 2.249 -4.115 3.007 1.00 0.00 C ATOM 1127 O TYR A 74 1.824 -3.806 1.888 1.00 0.00 O ATOM 1128 CB TYR A 74 4.454 -5.029 2.173 1.00 0.00 C ATOM 1129 CG TYR A 74 5.989 -5.014 2.218 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.697 -3.824 2.027 1.00 0.00 C ATOM 1131 CD2 TYR A 74 6.728 -6.180 2.446 1.00 0.00 C ATOM 1132 CE1 TYR A 74 8.077 -3.797 2.058 1.00 0.00 C ATOM 1133 CE2 TYR A 74 8.109 -6.152 2.472 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.777 -4.960 2.281 1.00 0.00 C ATOM 1135 OH TYR A 74 10.151 -4.927 2.326 1.00 0.00 O ATOM 0 H TYR A 74 3.816 -5.560 4.818 1.00 0.00 H new ATOM 0 HA TYR A 74 4.117 -3.108 3.174 1.00 0.00 H new ATOM 0 HB2 TYR A 74 4.109 -6.056 2.296 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.129 -4.699 1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.154 -2.907 1.852 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.211 -7.115 2.604 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.605 -2.867 1.908 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.665 -7.062 2.642 1.00 0.00 H new ATOM 0 HH TYR A 74 10.495 -5.830 2.493 1.00 0.00 H new ATOM 1145 N PHE A 75 1.421 -4.413 4.029 1.00 0.00 N ATOM 1146 CA PHE A 75 -0.047 -4.537 3.851 1.00 0.00 C ATOM 1147 C PHE A 75 -0.823 -3.784 4.946 1.00 0.00 C ATOM 1148 O PHE A 75 -1.924 -3.300 4.663 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.490 -6.030 3.775 1.00 0.00 C ATOM 1150 CG PHE A 75 -0.054 -6.768 2.497 1.00 0.00 C ATOM 1151 CD1 PHE A 75 1.194 -7.388 2.403 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.896 -6.839 1.389 1.00 0.00 C ATOM 1153 CE1 PHE A 75 1.586 -8.043 1.249 1.00 0.00 C ATOM 1154 CE2 PHE A 75 -0.504 -7.499 0.235 1.00 0.00 C ATOM 1155 CZ PHE A 75 0.737 -8.099 0.165 1.00 0.00 C ATOM 0 H PHE A 75 1.739 -4.573 4.985 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.292 -4.069 2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.086 -6.559 4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.576 -6.076 3.852 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.866 -7.356 3.248 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.869 -6.372 1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.558 -8.511 1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.172 -7.544 -0.612 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.042 -8.611 -0.736 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.293 -3.695 6.205 1.00 0.00 N ATOM 1166 CA VAL A 76 -0.884 -2.774 7.218 1.00 0.00 C ATOM 1167 C VAL A 76 -0.801 -1.351 6.658 1.00 0.00 C ATOM 1168 O VAL A 76 0.274 -0.931 6.289 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.187 -2.809 8.635 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.787 -1.740 9.589 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.274 -4.202 9.281 1.00 0.00 C ATOM 0 H VAL A 76 0.512 -4.230 6.530 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.908 -3.106 7.388 1.00 0.00 H new ATOM 0 HB VAL A 76 0.865 -2.576 8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.285 -1.792 10.555 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.646 -0.748 9.159 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.852 -1.929 9.723 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.217 -4.183 10.254 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.320 -4.479 9.408 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.220 -4.932 8.639 1.00 0.00 H new ATOM 1181 N LEU A 77 -1.922 -0.632 6.629 1.00 0.00 N ATOM 1182 CA LEU A 77 -2.087 0.583 5.812 1.00 0.00 C ATOM 1183 C LEU A 77 -1.069 1.693 6.165 1.00 0.00 C ATOM 1184 O LEU A 77 -0.594 2.390 5.273 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.539 1.094 5.934 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.663 0.036 5.672 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -6.052 0.689 5.645 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -4.400 -0.786 4.389 1.00 0.00 C ATOM 0 H LEU A 77 -2.751 -0.873 7.173 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.882 0.314 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.677 1.501 6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.673 1.918 5.234 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.642 -0.664 6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.809 -0.073 5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.247 1.170 6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.088 1.435 4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.205 -1.507 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.358 -0.116 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.452 -1.315 4.484 1.00 0.00 H new ATOM 1200 N LYS A 78 -0.765 1.848 7.468 1.00 0.00 N ATOM 1201 CA LYS A 78 0.276 2.792 7.944 1.00 0.00 C ATOM 1202 C LYS A 78 1.709 2.327 7.554 1.00 0.00 C ATOM 1203 O LYS A 78 2.552 3.160 7.218 1.00 0.00 O ATOM 1204 CB LYS A 78 0.154 3.004 9.477 1.00 0.00 C ATOM 1205 CG LYS A 78 0.384 1.734 10.330 1.00 0.00 C ATOM 1206 CD LYS A 78 0.246 1.978 11.845 1.00 0.00 C ATOM 1207 CE LYS A 78 0.526 0.708 12.668 1.00 0.00 C ATOM 1208 NZ LYS A 78 1.914 0.208 12.485 1.00 0.00 N ATOM 0 H LYS A 78 -1.226 1.331 8.217 1.00 0.00 H new ATOM 0 HA LYS A 78 0.108 3.747 7.446 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.873 3.764 9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.839 3.397 9.697 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.330 0.968 10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.380 1.342 10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.937 2.765 12.149 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.760 2.335 12.063 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.355 0.918 13.724 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.179 -0.072 12.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.097 -0.564 13.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.031 -0.145 11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.587 0.982 12.655 1.00 0.00 H new ATOM 1222 N ASN A 79 1.965 1.001 7.583 1.00 0.00 N ATOM 1223 CA ASN A 79 3.287 0.407 7.229 1.00 0.00 C ATOM 1224 C ASN A 79 3.526 0.536 5.720 1.00 0.00 C ATOM 1225 O ASN A 79 4.621 0.885 5.275 1.00 0.00 O ATOM 1226 CB ASN A 79 3.340 -1.096 7.614 1.00 0.00 C ATOM 1227 CG ASN A 79 3.173 -1.396 9.101 1.00 0.00 C ATOM 1228 OD1 ASN A 79 2.521 -0.667 9.830 1.00 0.00 O ATOM 1229 ND2 ASN A 79 3.717 -2.514 9.544 1.00 0.00 N ATOM 0 H ASN A 79 1.267 0.307 7.851 1.00 0.00 H new ATOM 0 HA ASN A 79 4.058 0.945 7.781 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.560 -1.622 7.064 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.294 -1.505 7.283 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.597 -2.788 10.519 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.257 -3.104 8.911 1.00 0.00 H new ATOM 1236 N LEU A 80 2.482 0.186 4.964 1.00 0.00 N ATOM 1237 CA LEU A 80 2.367 0.394 3.522 1.00 0.00 C ATOM 1238 C LEU A 80 2.650 1.867 3.175 1.00 0.00 C ATOM 1239 O LEU A 80 3.508 2.155 2.347 1.00 0.00 O ATOM 1240 CB LEU A 80 0.934 -0.033 3.072 1.00 0.00 C ATOM 1241 CG LEU A 80 0.575 0.137 1.561 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.529 -0.665 0.653 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -0.905 -0.243 1.296 1.00 0.00 C ATOM 0 H LEU A 80 1.659 -0.270 5.359 1.00 0.00 H new ATOM 0 HA LEU A 80 3.101 -0.212 2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.797 -1.082 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.213 0.539 3.656 1.00 0.00 H new ATOM 0 HG LEU A 80 0.703 1.190 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.246 -0.521 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.551 -0.318 0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.465 -1.724 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.129 -0.116 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.070 -1.282 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.557 0.402 1.885 1.00 0.00 H new ATOM 1255 N ALA A 81 1.982 2.783 3.900 1.00 0.00 N ATOM 1256 CA ALA A 81 2.119 4.245 3.705 1.00 0.00 C ATOM 1257 C ALA A 81 3.515 4.747 4.122 1.00 0.00 C ATOM 1258 O ALA A 81 3.958 5.789 3.658 1.00 0.00 O ATOM 1259 CB ALA A 81 1.024 4.999 4.481 1.00 0.00 C ATOM 0 H ALA A 81 1.328 2.532 4.642 1.00 0.00 H new ATOM 0 HA ALA A 81 1.999 4.446 2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.141 6.072 4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.043 4.685 4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.111 4.775 5.544 1.00 0.00 H new ATOM 1265 N ALA A 82 4.179 4.001 5.020 1.00 0.00 N ATOM 1266 CA ALA A 82 5.566 4.295 5.431 1.00 0.00 C ATOM 1267 C ALA A 82 6.551 3.915 4.305 1.00 0.00 C ATOM 1268 O ALA A 82 7.491 4.660 4.015 1.00 0.00 O ATOM 1269 CB ALA A 82 5.918 3.557 6.735 1.00 0.00 C ATOM 0 H ALA A 82 3.776 3.184 5.479 1.00 0.00 H new ATOM 0 HA ALA A 82 5.650 5.366 5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.945 3.789 7.018 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.242 3.877 7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.817 2.482 6.583 1.00 0.00 H new ATOM 1275 N ARG A 83 6.310 2.745 3.679 1.00 0.00 N ATOM 1276 CA ARG A 83 7.102 2.258 2.531 1.00 0.00 C ATOM 1277 C ARG A 83 6.900 3.136 1.279 1.00 0.00 C ATOM 1278 O ARG A 83 7.801 3.268 0.464 1.00 0.00 O ATOM 1279 CB ARG A 83 6.740 0.780 2.212 1.00 0.00 C ATOM 1280 CG ARG A 83 7.152 -0.252 3.289 1.00 0.00 C ATOM 1281 CD ARG A 83 8.658 -0.174 3.624 1.00 0.00 C ATOM 1282 NE ARG A 83 9.520 -0.185 2.410 1.00 0.00 N ATOM 1283 CZ ARG A 83 10.681 0.479 2.279 1.00 0.00 C ATOM 1284 NH1 ARG A 83 11.202 1.159 3.292 1.00 0.00 N ATOM 1285 NH2 ARG A 83 11.323 0.438 1.130 1.00 0.00 N ATOM 0 H ARG A 83 5.560 2.111 3.955 1.00 0.00 H new ATOM 0 HA ARG A 83 8.154 2.318 2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.663 0.712 2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.212 0.504 1.269 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.570 -0.081 4.195 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.910 -1.256 2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.852 0.735 4.194 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.927 -1.015 4.263 1.00 0.00 H new ATOM 0 HE ARG A 83 9.204 -0.740 1.615 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.720 1.184 4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.084 1.656 3.172 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.938 -0.094 0.350 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.205 0.939 1.020 1.00 0.00 H new ATOM 1299 N ILE A 84 5.702 3.713 1.140 1.00 0.00 N ATOM 1300 CA ILE A 84 5.367 4.625 0.026 1.00 0.00 C ATOM 1301 C ILE A 84 5.975 6.015 0.282 1.00 0.00 C ATOM 1302 O ILE A 84 6.513 6.643 -0.634 1.00 0.00 O ATOM 1303 CB ILE A 84 3.812 4.703 -0.153 1.00 0.00 C ATOM 1304 CG1 ILE A 84 3.251 3.293 -0.518 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.388 5.760 -1.207 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.754 3.160 -0.363 1.00 0.00 C ATOM 0 H ILE A 84 4.933 3.565 1.793 1.00 0.00 H new ATOM 0 HA ILE A 84 5.793 4.239 -0.900 1.00 0.00 H new ATOM 0 HB ILE A 84 3.385 5.026 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.519 3.064 -1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.737 2.547 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.301 5.773 -1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.740 6.744 -0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.825 5.506 -2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.448 2.150 -0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.477 3.355 0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.256 3.879 -1.013 1.00 0.00 H new ATOM 1318 N ASP A 85 5.870 6.477 1.542 1.00 0.00 N ATOM 1319 CA ASP A 85 6.563 7.695 2.033 1.00 0.00 C ATOM 1320 C ASP A 85 8.087 7.618 1.792 1.00 0.00 C ATOM 1321 O ASP A 85 8.730 8.635 1.507 1.00 0.00 O ATOM 1322 CB ASP A 85 6.260 7.925 3.536 1.00 0.00 C ATOM 1323 CG ASP A 85 6.927 9.191 4.106 1.00 0.00 C ATOM 1324 OD1 ASP A 85 6.436 10.305 3.842 1.00 0.00 O ATOM 1325 OD2 ASP A 85 7.951 9.084 4.815 1.00 0.00 O ATOM 0 H ASP A 85 5.302 6.019 2.254 1.00 0.00 H new ATOM 0 HA ASP A 85 6.182 8.544 1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.181 7.997 3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.597 7.058 4.104 1.00 0.00 H new ATOM 1330 N GLU A 86 8.633 6.398 1.901 1.00 0.00 N ATOM 1331 CA GLU A 86 10.039 6.105 1.573 1.00 0.00 C ATOM 1332 C GLU A 86 10.331 6.415 0.081 1.00 0.00 C ATOM 1333 O GLU A 86 11.306 7.100 -0.240 1.00 0.00 O ATOM 1334 CB GLU A 86 10.332 4.611 1.866 1.00 0.00 C ATOM 1335 CG GLU A 86 11.787 4.159 1.622 1.00 0.00 C ATOM 1336 CD GLU A 86 12.792 4.712 2.646 1.00 0.00 C ATOM 1337 OE1 GLU A 86 12.891 4.148 3.764 1.00 0.00 O ATOM 1338 OE2 GLU A 86 13.500 5.692 2.341 1.00 0.00 O ATOM 0 H GLU A 86 8.111 5.582 2.220 1.00 0.00 H new ATOM 0 HA GLU A 86 10.683 6.735 2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.076 4.406 2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.672 4.002 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.827 3.070 1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.092 4.472 0.623 1.00 0.00 H new ATOM 1345 N LEU A 87 9.457 5.894 -0.810 1.00 0.00 N ATOM 1346 CA LEU A 87 9.609 6.018 -2.278 1.00 0.00 C ATOM 1347 C LEU A 87 9.417 7.476 -2.773 1.00 0.00 C ATOM 1348 O LEU A 87 10.111 7.917 -3.703 1.00 0.00 O ATOM 1349 CB LEU A 87 8.623 5.059 -3.005 1.00 0.00 C ATOM 1350 CG LEU A 87 8.668 3.554 -2.569 1.00 0.00 C ATOM 1351 CD1 LEU A 87 7.688 2.698 -3.393 1.00 0.00 C ATOM 1352 CD2 LEU A 87 10.105 2.968 -2.600 1.00 0.00 C ATOM 0 H LEU A 87 8.625 5.375 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 87 10.632 5.733 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.610 5.429 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.822 5.111 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 87 8.343 3.521 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.746 1.660 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.673 3.068 -3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.951 2.759 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.079 1.924 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.504 3.036 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.743 3.533 -1.920 1.00 0.00 H new ATOM 1364 N VAL A 88 8.467 8.223 -2.165 1.00 0.00 N ATOM 1365 CA VAL A 88 8.224 9.644 -2.523 1.00 0.00 C ATOM 1366 C VAL A 88 9.337 10.559 -1.954 1.00 0.00 C ATOM 1367 O VAL A 88 9.617 11.635 -2.502 1.00 0.00 O ATOM 1368 CB VAL A 88 6.788 10.152 -2.070 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.661 9.263 -2.654 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.668 10.250 -0.535 1.00 0.00 C ATOM 0 H VAL A 88 7.858 7.870 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 88 8.250 9.700 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 88 6.669 11.157 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.693 9.639 -2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.707 9.286 -3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.789 8.238 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.671 10.601 -0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.836 9.268 -0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.412 10.951 -0.156 1.00 0.00 H new ATOM 1380 N ALA A 89 9.947 10.127 -0.836 1.00 0.00 N ATOM 1381 CA ALA A 89 11.137 10.796 -0.274 1.00 0.00 C ATOM 1382 C ALA A 89 12.368 10.521 -1.153 1.00 0.00 C ATOM 1383 O ALA A 89 13.252 11.363 -1.256 1.00 0.00 O ATOM 1384 CB ALA A 89 11.388 10.339 1.169 1.00 0.00 C ATOM 0 H ALA A 89 9.636 9.316 -0.302 1.00 0.00 H new ATOM 0 HA ALA A 89 10.954 11.870 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.270 10.845 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.523 10.586 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.550 9.261 1.186 1.00 0.00 H new ATOM 1390 N ALA A 90 12.420 9.308 -1.747 1.00 0.00 N ATOM 1391 CA ALA A 90 13.489 8.898 -2.682 1.00 0.00 C ATOM 1392 C ALA A 90 13.581 9.806 -3.921 1.00 0.00 C ATOM 1393 O ALA A 90 14.676 10.253 -4.288 1.00 0.00 O ATOM 1394 CB ALA A 90 13.293 7.430 -3.091 1.00 0.00 C ATOM 0 H ALA A 90 11.719 8.584 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 90 14.438 9.004 -2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.085 7.135 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.330 6.797 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.325 7.314 -3.579 1.00 0.00 H new