USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 686 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-2.6!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -9:sc= -2.08 USER MOD Single : A 12 HIS : no HD1:sc= -0.549 X(o=-0.55,f=-0.3) USER MOD Single : A 23 THR OG1 : rot -90:sc= -1.11 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -178:sc= -0.839 USER MOD Single : A 31 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.7!) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= 0.0532 (180deg=0.00134) USER MOD Single : A 41 LYS NZ :NH3+ 149:sc= -0.0193 (180deg=-0.439) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 130:sc= -2.7 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 87:sc= -0.975 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.0291 X(o=-0.029,f=-0.28) USER MOD Single : A 88 TYR OH : rot 174:sc= 0.0595 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 78.790 13.039 -3.427 1.00 0.40 N ATOM 33 CA VAL A 3 77.776 11.960 -3.284 1.00 0.33 C ATOM 34 C VAL A 3 76.755 12.059 -4.426 1.00 0.31 C ATOM 35 O VAL A 3 76.265 13.132 -4.733 1.00 0.37 O ATOM 36 CB VAL A 3 77.148 12.199 -1.887 1.00 0.36 C ATOM 37 CG1 VAL A 3 76.097 13.324 -1.904 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.489 10.909 -1.399 1.00 0.30 C ATOM 0 HA VAL A 3 78.190 10.954 -3.349 1.00 0.33 H new ATOM 0 HB VAL A 3 77.951 12.502 -1.215 1.00 0.36 H new ATOM 0 HG11 VAL A 3 75.686 13.453 -0.903 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.565 14.254 -2.227 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.295 13.062 -2.594 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.047 11.075 -0.417 1.00 0.30 H new ATOM 0 HG22 VAL A 3 75.711 10.610 -2.101 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.239 10.121 -1.331 1.00 0.30 H new ATOM 48 N LEU A 4 76.410 10.953 -5.020 1.00 0.26 N ATOM 49 CA LEU A 4 75.386 10.971 -6.108 1.00 0.28 C ATOM 50 C LEU A 4 73.970 10.935 -5.508 1.00 0.28 C ATOM 51 O LEU A 4 73.016 11.353 -6.134 1.00 0.30 O ATOM 52 CB LEU A 4 75.662 9.715 -6.961 1.00 0.27 C ATOM 53 CG LEU A 4 77.153 9.626 -7.370 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.340 8.470 -8.353 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.620 10.935 -8.031 1.00 0.37 C ATOM 0 H LEU A 4 76.792 10.033 -4.801 1.00 0.26 H new ATOM 0 HA LEU A 4 75.446 11.877 -6.711 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.383 8.823 -6.399 1.00 0.27 H new ATOM 0 HB3 LEU A 4 75.039 9.736 -7.855 1.00 0.27 H new ATOM 0 HG LEU A 4 77.749 9.457 -6.473 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.389 8.405 -8.643 1.00 0.36 H new ATOM 0 HD12 LEU A 4 77.036 7.537 -7.879 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.729 8.643 -9.239 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.670 10.848 -8.309 1.00 0.37 H new ATOM 0 HD22 LEU A 4 77.023 11.125 -8.923 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.498 11.760 -7.330 1.00 0.37 H new ATOM 67 N ALA A 5 73.840 10.506 -4.269 1.00 0.25 N ATOM 68 CA ALA A 5 72.511 10.518 -3.582 1.00 0.25 C ATOM 69 C ALA A 5 72.697 10.097 -2.124 1.00 0.23 C ATOM 70 O ALA A 5 73.632 9.389 -1.800 1.00 0.25 O ATOM 71 CB ALA A 5 71.642 9.498 -4.328 1.00 0.26 C ATOM 0 H ALA A 5 74.608 10.146 -3.703 1.00 0.25 H new ATOM 0 HA ALA A 5 72.049 11.505 -3.590 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.653 9.460 -3.872 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.548 9.795 -5.373 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.106 8.513 -4.271 1.00 0.26 H new ATOM 77 N LYS A 6 71.836 10.543 -1.244 1.00 0.22 N ATOM 78 CA LYS A 6 71.983 10.188 0.202 1.00 0.22 C ATOM 79 C LYS A 6 70.629 9.788 0.793 1.00 0.21 C ATOM 80 O LYS A 6 69.645 10.488 0.642 1.00 0.23 O ATOM 81 CB LYS A 6 72.523 11.460 0.861 1.00 0.24 C ATOM 82 CG LYS A 6 72.736 11.221 2.360 1.00 1.40 C ATOM 83 CD LYS A 6 73.696 12.276 2.921 1.00 1.50 C ATOM 84 CE LYS A 6 73.073 13.670 2.792 1.00 1.79 C ATOM 85 NZ LYS A 6 73.570 14.425 3.975 1.00 2.30 N ATOM 0 H LYS A 6 71.037 11.138 -1.464 1.00 0.22 H new ATOM 0 HA LYS A 6 72.647 9.338 0.360 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.463 11.751 0.393 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.824 12.283 0.711 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.782 11.268 2.885 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.141 10.223 2.525 1.00 1.40 H new ATOM 0 HD2 LYS A 6 73.915 12.061 3.967 1.00 1.50 H new ATOM 0 HD3 LYS A 6 74.644 12.241 2.383 1.00 1.50 H new ATOM 0 HE2 LYS A 6 73.373 14.152 1.862 1.00 1.79 H new ATOM 0 HE3 LYS A 6 71.984 13.617 2.787 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 73.186 15.391 3.957 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 73.263 13.947 4.846 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 74.609 14.465 3.950 1.00 2.30 H new ATOM 99 N PHE A 7 70.574 8.645 1.434 1.00 0.19 N ATOM 100 CA PHE A 7 69.280 8.161 2.009 1.00 0.19 C ATOM 101 C PHE A 7 69.533 7.308 3.260 1.00 0.17 C ATOM 102 O PHE A 7 70.649 6.912 3.527 1.00 0.16 O ATOM 103 CB PHE A 7 68.635 7.339 0.883 1.00 0.20 C ATOM 104 CG PHE A 7 69.502 6.151 0.518 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.713 6.344 -0.230 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.111 4.830 0.917 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.531 5.216 -0.576 1.00 0.19 C ATOM 108 CE2 PHE A 7 69.929 3.703 0.570 1.00 0.20 C ATOM 109 CZ PHE A 7 71.137 3.895 -0.175 1.00 0.20 C ATOM 0 H PHE A 7 71.371 8.026 1.584 1.00 0.19 H new ATOM 0 HA PHE A 7 68.632 8.977 2.330 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.650 6.993 1.198 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.486 7.969 0.006 1.00 0.20 H new ATOM 0 HD1 PHE A 7 71.008 7.338 -0.532 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.200 4.683 1.479 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.442 5.361 -1.138 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.633 2.709 0.871 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.752 3.046 -0.435 1.00 0.20 H new ATOM 119 N HIS A 8 68.516 7.088 4.059 1.00 0.18 N ATOM 120 CA HIS A 8 68.704 6.334 5.339 1.00 0.18 C ATOM 121 C HIS A 8 67.961 4.994 5.284 1.00 0.17 C ATOM 122 O HIS A 8 66.827 4.918 4.851 1.00 0.18 O ATOM 123 CB HIS A 8 68.099 7.234 6.418 1.00 0.20 C ATOM 124 CG HIS A 8 68.883 8.515 6.500 1.00 0.77 C ATOM 125 ND1 HIS A 8 68.533 9.643 5.774 1.00 1.41 N ATOM 126 CD2 HIS A 8 70.000 8.863 7.217 1.00 1.61 C ATOM 127 CE1 HIS A 8 69.425 10.607 6.068 1.00 1.81 C ATOM 128 NE2 HIS A 8 70.340 10.183 6.944 1.00 1.99 N ATOM 0 H HIS A 8 67.561 7.399 3.879 1.00 0.18 H new ATOM 0 HA HIS A 8 69.752 6.107 5.532 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.056 7.448 6.185 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.113 6.724 7.381 1.00 0.20 H new ATOM 0 HD2 HIS A 8 70.534 8.210 7.891 1.00 1.61 H new ATOM 0 HE1 HIS A 8 69.404 11.601 5.647 1.00 1.81 H new ATOM 0 HE2 HIS A 8 71.121 10.714 7.330 1.00 1.99 H new ATOM 136 N THR A 9 68.587 3.949 5.763 1.00 0.16 N ATOM 137 CA THR A 9 67.925 2.607 5.796 1.00 0.17 C ATOM 138 C THR A 9 68.494 1.780 6.963 1.00 0.16 C ATOM 139 O THR A 9 69.576 2.060 7.442 1.00 0.15 O ATOM 140 CB THR A 9 68.235 1.966 4.427 1.00 0.17 C ATOM 141 OG1 THR A 9 67.476 0.774 4.286 1.00 0.18 O ATOM 142 CG2 THR A 9 69.728 1.640 4.297 1.00 0.17 C ATOM 0 H THR A 9 69.536 3.967 6.136 1.00 0.16 H new ATOM 0 HA THR A 9 66.849 2.667 5.957 1.00 0.17 H new ATOM 0 HB THR A 9 67.970 2.675 3.643 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.669 0.364 3.417 1.00 0.18 H new ATOM 0 HG21 THR A 9 69.919 1.189 3.323 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.310 2.556 4.393 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.018 0.942 5.083 1.00 0.17 H new ATOM 150 N THR A 10 67.811 0.736 7.375 1.00 0.17 N ATOM 151 CA THR A 10 68.367 -0.139 8.456 1.00 0.17 C ATOM 152 C THR A 10 68.780 -1.498 7.872 1.00 0.17 C ATOM 153 O THR A 10 68.357 -1.872 6.792 1.00 0.17 O ATOM 154 CB THR A 10 67.249 -0.263 9.526 1.00 0.17 C ATOM 155 OG1 THR A 10 67.807 -0.752 10.733 1.00 0.17 O ATOM 156 CG2 THR A 10 66.135 -1.222 9.089 1.00 0.17 C ATOM 0 H THR A 10 66.900 0.455 7.012 1.00 0.17 H new ATOM 0 HA THR A 10 69.267 0.278 8.908 1.00 0.17 H new ATOM 0 HB THR A 10 66.818 0.729 9.662 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.733 -1.032 10.575 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.375 -1.277 9.869 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.682 -0.858 8.167 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.554 -2.214 8.920 1.00 0.17 H new ATOM 164 N VAL A 11 69.652 -2.198 8.550 1.00 0.17 N ATOM 165 CA VAL A 11 70.163 -3.496 8.010 1.00 0.17 C ATOM 166 C VAL A 11 69.143 -4.612 8.252 1.00 0.17 C ATOM 167 O VAL A 11 68.594 -4.741 9.327 1.00 0.17 O ATOM 168 CB VAL A 11 71.465 -3.776 8.778 1.00 0.21 C ATOM 169 CG1 VAL A 11 72.087 -5.085 8.275 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.457 -2.619 8.561 1.00 0.49 C ATOM 0 H VAL A 11 70.034 -1.927 9.456 1.00 0.17 H new ATOM 0 HA VAL A 11 70.333 -3.450 6.934 1.00 0.17 H new ATOM 0 HB VAL A 11 71.242 -3.864 9.841 1.00 0.21 H new ATOM 0 HG11 VAL A 11 73.010 -5.282 8.820 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.388 -5.906 8.436 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.306 -4.998 7.211 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.378 -2.822 9.107 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.679 -2.525 7.498 1.00 0.49 H new ATOM 0 HG23 VAL A 11 72.017 -1.690 8.924 1.00 0.49 H new ATOM 180 N HIS A 12 68.949 -5.454 7.272 1.00 0.21 N ATOM 181 CA HIS A 12 68.038 -6.626 7.436 1.00 0.25 C ATOM 182 C HIS A 12 68.832 -7.923 7.301 1.00 0.25 C ATOM 183 O HIS A 12 70.015 -7.914 7.024 1.00 0.25 O ATOM 184 CB HIS A 12 66.998 -6.523 6.321 1.00 0.26 C ATOM 185 CG HIS A 12 65.871 -5.637 6.771 1.00 0.31 C ATOM 186 ND1 HIS A 12 66.058 -4.298 7.075 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.536 -5.885 6.980 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.867 -3.796 7.447 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.904 -4.721 7.406 1.00 0.56 N ATOM 0 H HIS A 12 69.388 -5.379 6.354 1.00 0.21 H new ATOM 0 HA HIS A 12 67.563 -6.629 8.417 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.455 -6.118 5.418 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.619 -7.513 6.070 1.00 0.26 H new ATOM 0 HD2 HIS A 12 64.051 -6.839 6.836 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.708 -2.770 7.743 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.918 -4.600 7.637 1.00 0.56 H new ATOM 197 N ARG A 13 68.202 -9.034 7.583 1.00 0.29 N ATOM 198 CA ARG A 13 68.914 -10.362 7.570 1.00 0.32 C ATOM 199 C ARG A 13 69.789 -10.538 6.313 1.00 0.29 C ATOM 200 O ARG A 13 69.580 -9.899 5.303 1.00 0.24 O ATOM 201 CB ARG A 13 67.787 -11.395 7.566 1.00 0.36 C ATOM 202 CG ARG A 13 67.078 -11.388 8.922 1.00 0.72 C ATOM 203 CD ARG A 13 66.024 -12.497 8.952 1.00 1.16 C ATOM 204 NE ARG A 13 65.258 -12.270 10.218 1.00 1.81 N ATOM 205 CZ ARG A 13 65.735 -12.638 11.395 1.00 2.39 C ATOM 206 NH1 ARG A 13 66.907 -13.223 11.521 1.00 2.96 N ATOM 207 NH2 ARG A 13 65.020 -12.415 12.464 1.00 2.76 N ATOM 0 H ARG A 13 67.213 -9.085 7.825 1.00 0.29 H new ATOM 0 HA ARG A 13 69.589 -10.458 8.421 1.00 0.32 H new ATOM 0 HB2 ARG A 13 67.076 -11.169 6.772 1.00 0.36 H new ATOM 0 HB3 ARG A 13 68.190 -12.387 7.360 1.00 0.36 H new ATOM 0 HG2 ARG A 13 67.801 -11.537 9.723 1.00 0.72 H new ATOM 0 HG3 ARG A 13 66.608 -10.420 9.094 1.00 0.72 H new ATOM 0 HD2 ARG A 13 65.371 -12.444 8.081 1.00 1.16 H new ATOM 0 HD3 ARG A 13 66.488 -13.483 8.943 1.00 1.16 H new ATOM 0 HE ARG A 13 64.344 -11.820 10.171 1.00 1.81 H new ATOM 0 HH11 ARG A 13 67.477 -13.405 10.695 1.00 2.96 H new ATOM 0 HH12 ARG A 13 67.245 -13.494 12.444 1.00 2.96 H new ATOM 0 HH21 ARG A 13 64.109 -11.964 12.383 1.00 2.76 H new ATOM 0 HH22 ARG A 13 65.372 -12.692 13.380 1.00 2.76 H new ATOM 221 N ILE A 14 70.831 -11.335 6.423 1.00 0.34 N ATOM 222 CA ILE A 14 71.828 -11.523 5.302 1.00 0.34 C ATOM 223 C ILE A 14 72.572 -10.219 4.946 1.00 0.28 C ATOM 224 O ILE A 14 73.318 -10.192 3.982 1.00 0.29 O ATOM 225 CB ILE A 14 71.037 -12.022 4.076 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.212 -13.260 4.442 1.00 0.31 C ATOM 227 CG2 ILE A 14 72.015 -12.393 2.961 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.214 -13.546 3.319 1.00 0.36 C ATOM 0 H ILE A 14 71.040 -11.877 7.261 1.00 0.34 H new ATOM 0 HA ILE A 14 72.590 -12.236 5.616 1.00 0.34 H new ATOM 0 HB ILE A 14 70.367 -11.229 3.744 1.00 0.36 H new ATOM 0 HG12 ILE A 14 70.867 -14.118 4.590 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.684 -13.096 5.381 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.459 -12.746 2.092 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.601 -11.517 2.685 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.683 -13.181 3.310 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.623 -14.426 3.573 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.553 -12.689 3.193 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.754 -13.727 2.390 1.00 0.36 H new ATOM 240 N GLY A 15 72.400 -9.152 5.699 1.00 0.24 N ATOM 241 CA GLY A 15 73.123 -7.882 5.380 1.00 0.20 C ATOM 242 C GLY A 15 72.443 -7.161 4.205 1.00 0.17 C ATOM 243 O GLY A 15 73.043 -6.303 3.577 1.00 0.15 O ATOM 0 H GLY A 15 71.792 -9.110 6.517 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.135 -7.233 6.256 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.161 -8.100 5.130 1.00 0.20 H new ATOM 247 N ARG A 16 71.222 -7.525 3.873 1.00 0.18 N ATOM 248 CA ARG A 16 70.534 -6.886 2.712 1.00 0.18 C ATOM 249 C ARG A 16 69.840 -5.595 3.154 1.00 0.19 C ATOM 250 O ARG A 16 69.218 -5.549 4.198 1.00 0.24 O ATOM 251 CB ARG A 16 69.507 -7.924 2.243 1.00 0.26 C ATOM 252 CG ARG A 16 68.742 -7.390 1.027 1.00 0.26 C ATOM 253 CD ARG A 16 67.806 -8.479 0.495 1.00 0.76 C ATOM 254 NE ARG A 16 66.736 -8.620 1.535 1.00 0.91 N ATOM 255 CZ ARG A 16 65.560 -9.155 1.255 1.00 1.31 C ATOM 256 NH1 ARG A 16 65.262 -9.591 0.050 1.00 1.96 N ATOM 257 NH2 ARG A 16 64.668 -9.253 2.202 1.00 1.41 N ATOM 0 H ARG A 16 70.677 -8.237 4.359 1.00 0.18 H new ATOM 0 HA ARG A 16 71.227 -6.612 1.916 1.00 0.18 H new ATOM 0 HB2 ARG A 16 70.011 -8.856 1.986 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.811 -8.150 3.051 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.168 -6.506 1.304 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.442 -7.085 0.249 1.00 0.26 H new ATOM 0 HD2 ARG A 16 67.383 -8.198 -0.470 1.00 0.76 H new ATOM 0 HD3 ARG A 16 68.339 -9.419 0.348 1.00 0.76 H new ATOM 0 HE ARG A 16 66.920 -8.295 2.484 1.00 0.91 H new ATOM 0 HH11 ARG A 16 65.948 -9.521 -0.702 1.00 1.96 H new ATOM 0 HH12 ARG A 16 64.345 -9.999 -0.133 1.00 1.96 H new ATOM 0 HH21 ARG A 16 64.883 -8.919 3.142 1.00 1.41 H new ATOM 0 HH22 ARG A 16 63.756 -9.663 2.003 1.00 1.41 H new ATOM 271 N ILE A 17 69.827 -4.602 2.302 1.00 0.18 N ATOM 272 CA ILE A 17 69.026 -3.371 2.582 1.00 0.21 C ATOM 273 C ILE A 17 68.211 -3.002 1.339 1.00 0.19 C ATOM 274 O ILE A 17 68.611 -3.300 0.228 1.00 0.15 O ATOM 275 CB ILE A 17 70.050 -2.274 2.928 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.991 -2.033 1.739 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.872 -2.706 4.144 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.810 -0.759 1.974 1.00 0.30 C ATOM 0 H ILE A 17 70.339 -4.590 1.420 1.00 0.18 H new ATOM 0 HA ILE A 17 68.319 -3.508 3.400 1.00 0.21 H new ATOM 0 HB ILE A 17 69.515 -1.351 3.153 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.657 -2.886 1.612 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.413 -1.940 0.819 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.596 -1.929 4.388 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.209 -2.864 4.994 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.397 -3.634 3.917 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.476 -0.593 1.127 1.00 0.30 H new ATOM 0 HD12 ILE A 17 71.137 0.092 2.079 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.400 -0.869 2.884 1.00 0.30 H new ATOM 290 N ILE A 18 67.114 -2.303 1.510 1.00 0.23 N ATOM 291 CA ILE A 18 66.321 -1.850 0.324 1.00 0.20 C ATOM 292 C ILE A 18 66.324 -0.328 0.247 1.00 0.20 C ATOM 293 O ILE A 18 65.947 0.345 1.191 1.00 0.22 O ATOM 294 CB ILE A 18 64.891 -2.363 0.546 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.885 -3.888 0.770 1.00 0.25 C ATOM 296 CG2 ILE A 18 64.038 -2.024 -0.684 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.525 -4.612 -0.420 1.00 0.24 C ATOM 0 H ILE A 18 66.735 -2.028 2.416 1.00 0.23 H new ATOM 0 HA ILE A 18 66.741 -2.230 -0.607 1.00 0.20 H new ATOM 0 HB ILE A 18 64.479 -1.882 1.433 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.428 -4.129 1.684 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.861 -4.237 0.907 1.00 0.25 H new ATOM 0 HG21 ILE A 18 63.021 -2.386 -0.532 1.00 0.22 H new ATOM 0 HG22 ILE A 18 64.021 -0.944 -0.829 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.465 -2.501 -1.566 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.511 -5.687 -0.242 1.00 0.24 H new ATOM 0 HD12 ILE A 18 64.964 -4.387 -1.327 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.556 -4.277 -0.538 1.00 0.24 H new ATOM 309 N ILE A 19 66.667 0.214 -0.893 1.00 0.17 N ATOM 310 CA ILE A 19 66.603 1.698 -1.066 1.00 0.17 C ATOM 311 C ILE A 19 65.152 2.118 -1.336 1.00 0.19 C ATOM 312 O ILE A 19 64.456 1.442 -2.065 1.00 0.17 O ATOM 313 CB ILE A 19 67.503 2.018 -2.271 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.932 1.513 -1.965 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.504 3.541 -2.497 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.926 1.953 -3.046 1.00 0.23 C ATOM 0 H ILE A 19 66.988 -0.305 -1.710 1.00 0.17 H new ATOM 0 HA ILE A 19 66.937 2.235 -0.178 1.00 0.17 H new ATOM 0 HB ILE A 19 67.136 1.527 -3.173 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.254 1.894 -0.996 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.927 0.425 -1.894 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.139 3.782 -3.349 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.487 3.880 -2.695 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.887 4.041 -1.607 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.920 1.581 -2.799 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.617 1.550 -4.010 1.00 0.23 H new ATOM 0 HD13 ILE A 19 69.949 3.042 -3.098 1.00 0.23 H new ATOM 328 N PRO A 20 64.756 3.269 -0.830 1.00 0.24 N ATOM 329 CA PRO A 20 63.401 3.796 -1.148 1.00 0.28 C ATOM 330 C PRO A 20 63.297 4.076 -2.640 1.00 0.26 C ATOM 331 O PRO A 20 64.251 4.499 -3.265 1.00 0.25 O ATOM 332 CB PRO A 20 63.328 5.090 -0.349 1.00 0.34 C ATOM 333 CG PRO A 20 64.757 5.481 -0.186 1.00 0.35 C ATOM 334 CD PRO A 20 65.485 4.193 0.061 1.00 0.29 C ATOM 0 HA PRO A 20 62.594 3.105 -0.902 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.760 5.856 -0.877 1.00 0.34 H new ATOM 0 HB3 PRO A 20 62.841 4.940 0.614 1.00 0.34 H new ATOM 0 HG2 PRO A 20 65.133 5.983 -1.078 1.00 0.35 H new ATOM 0 HG3 PRO A 20 64.885 6.173 0.647 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.542 4.263 -0.196 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.431 3.885 1.105 1.00 0.29 H new ATOM 342 N ALA A 21 62.150 3.829 -3.216 1.00 0.28 N ATOM 343 CA ALA A 21 61.976 4.052 -4.687 1.00 0.29 C ATOM 344 C ALA A 21 62.306 5.506 -5.052 1.00 0.31 C ATOM 345 O ALA A 21 62.689 5.800 -6.171 1.00 0.32 O ATOM 346 CB ALA A 21 60.503 3.753 -4.973 1.00 0.33 C ATOM 0 H ALA A 21 61.322 3.481 -2.732 1.00 0.28 H new ATOM 0 HA ALA A 21 62.641 3.418 -5.273 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.302 3.896 -6.035 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.281 2.722 -4.697 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.875 4.428 -4.391 1.00 0.33 H new ATOM 352 N GLY A 22 62.154 6.412 -4.114 1.00 0.34 N ATOM 353 CA GLY A 22 62.444 7.850 -4.404 1.00 0.38 C ATOM 354 C GLY A 22 63.928 8.030 -4.723 1.00 0.37 C ATOM 355 O GLY A 22 64.291 8.714 -5.666 1.00 0.39 O ATOM 0 H GLY A 22 61.842 6.217 -3.163 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.839 8.189 -5.245 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.171 8.465 -3.546 1.00 0.38 H new ATOM 359 N THR A 23 64.789 7.428 -3.939 1.00 0.34 N ATOM 360 CA THR A 23 66.257 7.574 -4.185 1.00 0.34 C ATOM 361 C THR A 23 66.653 6.841 -5.467 1.00 0.30 C ATOM 362 O THR A 23 67.475 7.316 -6.227 1.00 0.32 O ATOM 363 CB THR A 23 66.945 6.945 -2.970 1.00 0.34 C ATOM 364 OG1 THR A 23 66.485 7.584 -1.787 1.00 0.39 O ATOM 365 CG2 THR A 23 68.461 7.122 -3.090 1.00 0.37 C ATOM 0 H THR A 23 64.539 6.843 -3.141 1.00 0.34 H new ATOM 0 HA THR A 23 66.546 8.617 -4.311 1.00 0.34 H new ATOM 0 HB THR A 23 66.708 5.882 -2.927 1.00 0.34 H new ATOM 0 HG1 THR A 23 67.064 8.347 -1.581 1.00 0.39 H new ATOM 0 HG21 THR A 23 68.949 6.674 -2.225 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.814 6.634 -3.999 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.701 8.184 -3.132 1.00 0.37 H new ATOM 373 N ARG A 24 66.046 5.705 -5.736 1.00 0.26 N ATOM 374 CA ARG A 24 66.364 4.957 -7.008 1.00 0.25 C ATOM 375 C ARG A 24 66.129 5.868 -8.216 1.00 0.28 C ATOM 376 O ARG A 24 66.882 5.857 -9.169 1.00 0.29 O ATOM 377 CB ARG A 24 65.401 3.760 -7.100 1.00 0.25 C ATOM 378 CG ARG A 24 65.333 2.981 -5.784 1.00 0.23 C ATOM 379 CD ARG A 24 64.980 1.524 -6.072 1.00 0.24 C ATOM 380 NE ARG A 24 64.220 1.064 -4.868 1.00 0.27 N ATOM 381 CZ ARG A 24 63.380 0.045 -4.921 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.168 -0.630 -6.029 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.743 -0.298 -3.836 1.00 0.39 N ATOM 0 H ARG A 24 65.349 5.263 -5.137 1.00 0.26 H new ATOM 0 HA ARG A 24 67.403 4.629 -7.002 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.405 4.115 -7.364 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.725 3.094 -7.900 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.290 3.039 -5.265 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.586 3.424 -5.125 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.378 1.435 -6.976 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.877 0.924 -6.226 1.00 0.24 H new ATOM 0 HE ARG A 24 64.354 1.550 -3.982 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.659 -0.373 -6.885 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.512 -1.411 -6.033 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.898 0.217 -2.969 1.00 0.39 H new ATOM 0 HH22 ARG A 24 62.090 -1.081 -3.854 1.00 0.39 H new ATOM 397 N LYS A 25 65.052 6.617 -8.191 1.00 0.32 N ATOM 398 CA LYS A 25 64.714 7.496 -9.354 1.00 0.37 C ATOM 399 C LYS A 25 65.764 8.595 -9.506 1.00 0.38 C ATOM 400 O LYS A 25 66.291 8.823 -10.578 1.00 0.40 O ATOM 401 CB LYS A 25 63.338 8.098 -9.017 1.00 0.42 C ATOM 402 CG LYS A 25 62.890 9.063 -10.121 1.00 1.08 C ATOM 403 CD LYS A 25 62.740 8.299 -11.435 1.00 1.68 C ATOM 404 CE LYS A 25 62.196 9.234 -12.517 1.00 2.42 C ATOM 405 NZ LYS A 25 62.332 8.471 -13.788 1.00 2.97 N ATOM 0 H LYS A 25 64.392 6.657 -7.414 1.00 0.32 H new ATOM 0 HA LYS A 25 64.694 6.947 -10.295 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.604 7.301 -8.903 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.388 8.624 -8.064 1.00 0.42 H new ATOM 0 HG2 LYS A 25 61.943 9.529 -9.849 1.00 1.08 H new ATOM 0 HG3 LYS A 25 63.619 9.865 -10.236 1.00 1.08 H new ATOM 0 HD2 LYS A 25 63.704 7.893 -11.743 1.00 1.68 H new ATOM 0 HD3 LYS A 25 62.066 7.453 -11.300 1.00 1.68 H new ATOM 0 HE2 LYS A 25 61.156 9.498 -12.324 1.00 2.42 H new ATOM 0 HE3 LYS A 25 62.760 10.166 -12.554 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 61.979 9.047 -14.578 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 63.333 8.239 -13.948 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 61.779 7.592 -13.726 1.00 2.97 H new ATOM 419 N PHE A 26 66.058 9.278 -8.437 1.00 0.38 N ATOM 420 CA PHE A 26 67.057 10.400 -8.488 1.00 0.42 C ATOM 421 C PHE A 26 68.404 9.902 -9.025 1.00 0.42 C ATOM 422 O PHE A 26 69.105 10.616 -9.720 1.00 0.46 O ATOM 423 CB PHE A 26 67.197 10.876 -7.038 1.00 0.43 C ATOM 424 CG PHE A 26 68.123 12.067 -6.977 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.648 13.368 -7.354 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.481 11.896 -6.545 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.531 14.498 -7.296 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.363 13.026 -6.488 1.00 0.64 C ATOM 429 CZ PHE A 26 69.889 14.327 -6.863 1.00 0.67 C ATOM 0 H PHE A 26 65.649 9.111 -7.517 1.00 0.38 H new ATOM 0 HA PHE A 26 66.735 11.202 -9.152 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.219 11.143 -6.638 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.586 10.069 -6.417 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.627 13.497 -7.681 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.839 10.917 -6.263 1.00 0.56 H new ATOM 0 HE1 PHE A 26 68.174 15.477 -7.578 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.385 12.897 -6.163 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.553 15.177 -6.820 1.00 0.67 H new ATOM 439 N TYR A 27 68.787 8.710 -8.657 1.00 0.39 N ATOM 440 CA TYR A 27 70.118 8.172 -9.082 1.00 0.42 C ATOM 441 C TYR A 27 70.026 7.459 -10.444 1.00 0.35 C ATOM 442 O TYR A 27 71.034 7.219 -11.085 1.00 0.37 O ATOM 443 CB TYR A 27 70.488 7.181 -7.974 1.00 0.46 C ATOM 444 CG TYR A 27 71.887 6.642 -8.176 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.141 5.635 -9.168 1.00 0.85 C ATOM 446 CD2 TYR A 27 72.958 7.117 -7.350 1.00 0.95 C ATOM 447 CE1 TYR A 27 73.463 5.108 -9.335 1.00 1.10 C ATOM 448 CE2 TYR A 27 74.281 6.584 -7.513 1.00 1.16 C ATOM 449 CZ TYR A 27 74.532 5.580 -8.504 1.00 1.18 C ATOM 450 OH TYR A 27 75.799 5.061 -8.652 1.00 1.44 O ATOM 0 H TYR A 27 68.234 8.079 -8.077 1.00 0.39 H new ATOM 0 HA TYR A 27 70.860 8.960 -9.211 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.420 7.673 -7.004 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.774 6.357 -7.965 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.334 5.274 -9.789 1.00 0.85 H new ATOM 0 HD2 TYR A 27 72.770 7.876 -6.605 1.00 0.95 H new ATOM 0 HE1 TYR A 27 73.654 4.356 -10.086 1.00 1.10 H new ATOM 0 HE2 TYR A 27 75.087 6.940 -6.889 1.00 1.16 H new ATOM 0 HH TYR A 27 76.398 5.467 -7.991 1.00 1.44 H new ATOM 460 N GLY A 28 68.832 7.154 -10.913 1.00 0.31 N ATOM 461 CA GLY A 28 68.695 6.490 -12.246 1.00 0.29 C ATOM 462 C GLY A 28 69.074 5.009 -12.124 1.00 0.26 C ATOM 463 O GLY A 28 69.807 4.483 -12.942 1.00 0.27 O ATOM 0 H GLY A 28 67.953 7.338 -10.428 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.671 6.585 -12.608 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.338 6.981 -12.976 1.00 0.29 H new ATOM 467 N ILE A 29 68.627 4.348 -11.079 1.00 0.24 N ATOM 468 CA ILE A 29 69.012 2.915 -10.866 1.00 0.23 C ATOM 469 C ILE A 29 68.040 1.982 -11.596 1.00 0.20 C ATOM 470 O ILE A 29 66.856 1.960 -11.314 1.00 0.22 O ATOM 471 CB ILE A 29 68.938 2.684 -9.346 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.911 3.634 -8.643 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.316 1.233 -9.020 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.794 3.493 -7.120 1.00 0.42 C ATOM 0 H ILE A 29 68.013 4.740 -10.365 1.00 0.24 H new ATOM 0 HA ILE A 29 70.008 2.706 -11.257 1.00 0.23 H new ATOM 0 HB ILE A 29 67.922 2.875 -9.001 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.932 3.416 -8.957 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.700 4.662 -8.936 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.262 1.076 -7.943 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.624 0.556 -9.521 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.331 1.035 -9.365 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.493 4.176 -6.637 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.777 3.734 -6.809 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.028 2.469 -6.830 1.00 0.42 H new ATOM 486 N GLU A 30 68.576 1.096 -12.395 1.00 0.17 N ATOM 487 CA GLU A 30 67.747 0.012 -12.999 1.00 0.18 C ATOM 488 C GLU A 30 68.405 -1.338 -12.710 1.00 0.17 C ATOM 489 O GLU A 30 69.594 -1.409 -12.459 1.00 0.18 O ATOM 490 CB GLU A 30 67.736 0.300 -14.501 1.00 0.22 C ATOM 491 CG GLU A 30 66.775 -0.671 -15.201 1.00 1.06 C ATOM 492 CD GLU A 30 66.814 -0.472 -16.728 1.00 1.14 C ATOM 493 OE1 GLU A 30 67.606 0.332 -17.200 1.00 1.37 O ATOM 494 OE2 GLU A 30 66.044 -1.137 -17.403 1.00 1.82 O ATOM 0 H GLU A 30 69.562 1.078 -12.657 1.00 0.17 H new ATOM 0 HA GLU A 30 66.734 -0.021 -12.597 1.00 0.18 H new ATOM 0 HB2 GLU A 30 67.426 1.329 -14.683 1.00 0.22 H new ATOM 0 HB3 GLU A 30 68.741 0.193 -14.910 1.00 0.22 H new ATOM 0 HG2 GLU A 30 67.046 -1.698 -14.956 1.00 1.06 H new ATOM 0 HG3 GLU A 30 65.761 -0.513 -14.835 1.00 1.06 H new ATOM 501 N GLN A 31 67.640 -2.406 -12.694 1.00 0.20 N ATOM 502 CA GLN A 31 68.223 -3.751 -12.359 1.00 0.20 C ATOM 503 C GLN A 31 69.399 -4.081 -13.289 1.00 0.19 C ATOM 504 O GLN A 31 69.339 -3.862 -14.484 1.00 0.20 O ATOM 505 CB GLN A 31 67.084 -4.750 -12.567 1.00 0.25 C ATOM 506 CG GLN A 31 66.020 -4.545 -11.483 1.00 1.08 C ATOM 507 CD GLN A 31 64.814 -5.457 -11.746 1.00 1.10 C ATOM 508 OE1 GLN A 31 64.775 -6.184 -12.722 1.00 0.70 O ATOM 509 NE2 GLN A 31 63.813 -5.444 -10.909 1.00 1.99 N ATOM 0 H GLN A 31 66.640 -2.407 -12.897 1.00 0.20 H new ATOM 0 HA GLN A 31 68.610 -3.779 -11.340 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.643 -4.615 -13.555 1.00 0.25 H new ATOM 0 HB3 GLN A 31 67.468 -5.769 -12.526 1.00 0.25 H new ATOM 0 HG2 GLN A 31 66.443 -4.763 -10.502 1.00 1.08 H new ATOM 0 HG3 GLN A 31 65.701 -3.503 -11.469 1.00 1.08 H new ATOM 0 HE21 GLN A 31 63.841 -4.837 -10.090 1.00 1.99 H new ATOM 0 HE22 GLN A 31 63.003 -6.041 -11.074 1.00 1.99 H new ATOM 518 N GLY A 32 70.457 -4.625 -12.738 1.00 0.18 N ATOM 519 CA GLY A 32 71.640 -4.997 -13.569 1.00 0.19 C ATOM 520 C GLY A 32 72.686 -3.870 -13.571 1.00 0.17 C ATOM 521 O GLY A 32 73.831 -4.101 -13.916 1.00 0.18 O ATOM 0 H GLY A 32 70.550 -4.828 -11.743 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.087 -5.913 -13.183 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.321 -5.204 -14.590 1.00 0.19 H new ATOM 525 N ASP A 33 72.328 -2.670 -13.148 1.00 0.15 N ATOM 526 CA ASP A 33 73.341 -1.566 -13.086 1.00 0.14 C ATOM 527 C ASP A 33 74.254 -1.767 -11.878 1.00 0.13 C ATOM 528 O ASP A 33 73.857 -2.362 -10.895 1.00 0.14 O ATOM 529 CB ASP A 33 72.535 -0.276 -12.932 1.00 0.13 C ATOM 530 CG ASP A 33 71.737 0.009 -14.210 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.124 -0.476 -15.263 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.754 0.719 -14.111 1.00 1.07 O ATOM 0 H ASP A 33 71.387 -2.415 -12.847 1.00 0.15 H new ATOM 0 HA ASP A 33 73.973 -1.541 -13.974 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.857 -0.362 -12.083 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.206 0.557 -12.721 1.00 0.13 H new ATOM 537 N PHE A 34 75.436 -1.196 -11.906 1.00 0.12 N ATOM 538 CA PHE A 34 76.329 -1.265 -10.715 1.00 0.11 C ATOM 539 C PHE A 34 76.460 0.119 -10.091 1.00 0.10 C ATOM 540 O PHE A 34 76.688 1.092 -10.782 1.00 0.11 O ATOM 541 CB PHE A 34 77.678 -1.743 -11.248 1.00 0.12 C ATOM 542 CG PHE A 34 77.580 -3.196 -11.643 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.174 -3.554 -12.972 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.894 -4.220 -10.689 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.082 -4.936 -13.346 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.802 -5.602 -11.063 1.00 0.20 C ATOM 547 CZ PHE A 34 77.396 -5.960 -12.392 1.00 0.21 C ATOM 0 H PHE A 34 75.816 -0.687 -12.704 1.00 0.12 H new ATOM 0 HA PHE A 34 75.943 -1.934 -9.945 1.00 0.11 H new ATOM 0 HB2 PHE A 34 77.975 -1.141 -12.107 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.448 -1.614 -10.487 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.938 -2.783 -13.691 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.200 -3.951 -9.689 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.776 -5.205 -14.346 1.00 0.20 H new ATOM 0 HE2 PHE A 34 78.038 -6.373 -10.344 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.327 -7.000 -12.674 1.00 0.21 H new ATOM 557 N VAL A 35 76.423 0.194 -8.789 1.00 0.09 N ATOM 558 CA VAL A 35 76.666 1.496 -8.104 1.00 0.09 C ATOM 559 C VAL A 35 77.705 1.298 -6.998 1.00 0.10 C ATOM 560 O VAL A 35 77.853 0.211 -6.470 1.00 0.10 O ATOM 561 CB VAL A 35 75.304 1.927 -7.540 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.307 2.097 -8.693 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.770 0.867 -6.571 1.00 0.15 C ATOM 0 H VAL A 35 76.234 -0.593 -8.168 1.00 0.09 H new ATOM 0 HA VAL A 35 77.059 2.262 -8.773 1.00 0.09 H new ATOM 0 HB VAL A 35 75.426 2.870 -7.007 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.339 2.403 -8.295 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.673 2.858 -9.382 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.199 1.151 -9.223 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.804 1.186 -6.179 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.653 -0.081 -7.097 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.472 0.741 -5.747 1.00 0.15 H new ATOM 573 N GLU A 36 78.428 2.333 -6.653 1.00 0.12 N ATOM 574 CA GLU A 36 79.468 2.211 -5.590 1.00 0.13 C ATOM 575 C GLU A 36 79.057 3.084 -4.422 1.00 0.13 C ATOM 576 O GLU A 36 78.647 4.211 -4.622 1.00 0.13 O ATOM 577 CB GLU A 36 80.761 2.721 -6.225 1.00 0.14 C ATOM 578 CG GLU A 36 81.929 2.509 -5.253 1.00 0.15 C ATOM 579 CD GLU A 36 83.231 3.099 -5.824 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.187 3.714 -6.882 1.00 1.09 O ATOM 581 OE2 GLU A 36 84.257 2.928 -5.186 1.00 1.03 O ATOM 0 H GLU A 36 78.341 3.262 -7.065 1.00 0.12 H new ATOM 0 HA GLU A 36 79.593 1.192 -5.223 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.952 2.194 -7.160 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.665 3.779 -6.470 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.701 2.978 -4.296 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.060 1.444 -5.062 1.00 0.15 H new ATOM 588 N ILE A 37 78.931 2.499 -3.260 1.00 0.12 N ATOM 589 CA ILE A 37 78.261 3.220 -2.142 1.00 0.11 C ATOM 590 C ILE A 37 78.984 2.967 -0.814 1.00 0.11 C ATOM 591 O ILE A 37 79.660 1.968 -0.648 1.00 0.12 O ATOM 592 CB ILE A 37 76.839 2.645 -2.133 1.00 0.12 C ATOM 593 CG1 ILE A 37 76.001 3.343 -1.062 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.875 1.137 -1.852 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.513 3.270 -1.437 1.00 0.14 C ATOM 0 H ILE A 37 79.261 1.560 -3.039 1.00 0.12 H new ATOM 0 HA ILE A 37 78.267 4.302 -2.270 1.00 0.11 H new ATOM 0 HB ILE A 37 76.390 2.814 -3.112 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.165 2.871 -0.093 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.311 4.384 -0.966 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.859 0.743 -1.849 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.456 0.636 -2.627 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.336 0.959 -0.881 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.920 3.769 -0.671 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.355 3.763 -2.396 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.207 2.226 -1.511 1.00 0.14 H new ATOM 607 N LYS A 38 78.804 3.844 0.140 1.00 0.12 N ATOM 608 CA LYS A 38 79.427 3.646 1.483 1.00 0.13 C ATOM 609 C LYS A 38 78.400 3.882 2.593 1.00 0.13 C ATOM 610 O LYS A 38 77.547 4.739 2.484 1.00 0.14 O ATOM 611 CB LYS A 38 80.542 4.686 1.567 1.00 0.13 C ATOM 612 CG LYS A 38 81.431 4.356 2.764 1.00 0.18 C ATOM 613 CD LYS A 38 82.578 5.365 2.847 1.00 0.25 C ATOM 614 CE LYS A 38 83.529 4.972 3.981 1.00 1.03 C ATOM 615 NZ LYS A 38 83.899 6.257 4.635 1.00 1.11 N ATOM 0 H LYS A 38 78.249 4.694 0.045 1.00 0.12 H new ATOM 0 HA LYS A 38 79.803 2.630 1.608 1.00 0.13 H new ATOM 0 HB2 LYS A 38 81.129 4.685 0.649 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.119 5.685 1.674 1.00 0.13 H new ATOM 0 HG2 LYS A 38 80.845 4.381 3.683 1.00 0.18 H new ATOM 0 HG3 LYS A 38 81.829 3.346 2.667 1.00 0.18 H new ATOM 0 HD2 LYS A 38 83.118 5.395 1.901 1.00 0.25 H new ATOM 0 HD3 LYS A 38 82.183 6.366 3.021 1.00 0.25 H new ATOM 0 HE2 LYS A 38 83.045 4.295 4.685 1.00 1.03 H new ATOM 0 HE3 LYS A 38 84.409 4.456 3.597 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 84.287 6.066 5.581 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 84.614 6.746 4.060 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 83.055 6.858 4.722 1.00 1.11 H new ATOM 629 N ILE A 39 78.508 3.151 3.675 1.00 0.14 N ATOM 630 CA ILE A 39 77.568 3.352 4.826 1.00 0.14 C ATOM 631 C ILE A 39 78.323 3.856 6.056 1.00 0.13 C ATOM 632 O ILE A 39 79.471 3.512 6.272 1.00 0.13 O ATOM 633 CB ILE A 39 76.956 1.976 5.120 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.069 0.950 5.382 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.104 1.526 3.935 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.475 -0.298 6.034 1.00 0.20 C ATOM 0 H ILE A 39 79.208 2.422 3.813 1.00 0.14 H new ATOM 0 HA ILE A 39 76.806 4.093 4.584 1.00 0.14 H new ATOM 0 HB ILE A 39 76.327 2.049 6.007 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.560 0.684 4.446 1.00 0.16 H new ATOM 0 HG13 ILE A 39 78.831 1.383 6.030 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.671 0.548 4.148 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.305 2.248 3.767 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.727 1.460 3.043 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.267 -1.024 6.219 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.005 -0.026 6.979 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.729 -0.735 5.370 1.00 0.20 H new ATOM 648 N VAL A 40 77.654 4.605 6.897 1.00 0.13 N ATOM 649 CA VAL A 40 78.285 5.068 8.170 1.00 0.12 C ATOM 650 C VAL A 40 77.272 4.971 9.316 1.00 0.16 C ATOM 651 O VAL A 40 76.225 5.589 9.284 1.00 0.20 O ATOM 652 CB VAL A 40 78.678 6.530 7.923 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.378 7.096 9.165 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.635 6.619 6.728 1.00 0.16 C ATOM 0 H VAL A 40 76.693 4.917 6.755 1.00 0.13 H new ATOM 0 HA VAL A 40 79.148 4.463 8.447 1.00 0.12 H new ATOM 0 HB VAL A 40 77.776 7.106 7.714 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.655 8.135 8.985 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.703 7.044 10.019 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.274 6.512 9.375 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.910 7.660 6.559 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.532 6.036 6.936 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.144 6.224 5.839 1.00 0.16 H new ATOM 664 N LYS A 41 77.635 4.286 10.372 1.00 0.17 N ATOM 665 CA LYS A 41 76.769 4.238 11.587 1.00 0.22 C ATOM 666 C LYS A 41 77.620 4.520 12.822 1.00 0.21 C ATOM 667 O LYS A 41 78.769 4.134 12.883 1.00 0.22 O ATOM 668 CB LYS A 41 76.221 2.814 11.644 1.00 0.28 C ATOM 669 CG LYS A 41 75.107 2.741 12.692 1.00 0.54 C ATOM 670 CD LYS A 41 74.615 1.297 12.820 1.00 1.11 C ATOM 671 CE LYS A 41 75.634 0.479 13.616 1.00 1.50 C ATOM 672 NZ LYS A 41 75.339 0.782 15.043 1.00 1.98 N ATOM 0 H LYS A 41 78.502 3.754 10.443 1.00 0.17 H new ATOM 0 HA LYS A 41 75.967 4.975 11.553 1.00 0.22 H new ATOM 0 HB2 LYS A 41 75.837 2.521 10.667 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.019 2.115 11.895 1.00 0.28 H new ATOM 0 HG2 LYS A 41 75.475 3.097 13.654 1.00 0.54 H new ATOM 0 HG3 LYS A 41 74.282 3.393 12.406 1.00 0.54 H new ATOM 0 HD2 LYS A 41 73.646 1.275 13.318 1.00 1.11 H new ATOM 0 HD3 LYS A 41 74.475 0.860 11.831 1.00 1.11 H new ATOM 0 HE2 LYS A 41 75.533 -0.586 13.409 1.00 1.50 H new ATOM 0 HE3 LYS A 41 76.655 0.759 13.356 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 75.571 -0.046 15.629 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 75.910 1.595 15.351 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 74.330 1.009 15.148 1.00 1.98 H new ATOM 686 N TYR A 42 77.077 5.216 13.785 1.00 0.20 N ATOM 687 CA TYR A 42 77.873 5.561 15.003 1.00 0.20 C ATOM 688 C TYR A 42 77.441 4.692 16.189 1.00 0.27 C ATOM 689 O TYR A 42 76.269 4.613 16.510 1.00 0.33 O ATOM 690 CB TYR A 42 77.570 7.034 15.276 1.00 0.22 C ATOM 691 CG TYR A 42 78.540 7.561 16.305 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.866 7.942 15.908 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.140 7.679 17.678 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.791 8.441 16.884 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.066 8.179 18.654 1.00 0.25 C ATOM 696 CZ TYR A 42 80.392 8.560 18.257 1.00 0.28 C ATOM 697 OH TYR A 42 81.283 9.041 19.195 1.00 0.33 O ATOM 0 H TYR A 42 76.117 5.561 13.783 1.00 0.20 H new ATOM 0 HA TYR A 42 78.939 5.386 14.858 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.651 7.611 14.354 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.546 7.146 15.633 1.00 0.22 H new ATOM 0 HD1 TYR A 42 80.167 7.853 14.875 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.143 7.392 17.977 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.789 8.727 16.585 1.00 0.28 H new ATOM 0 HE2 TYR A 42 78.765 8.269 19.687 1.00 0.25 H new ATOM 0 HH TYR A 42 80.853 9.059 20.076 1.00 0.33 H new ATOM 759 N PRO A 47 82.801 5.792 15.467 1.00 0.25 N ATOM 760 CA PRO A 47 82.018 5.594 14.224 1.00 0.21 C ATOM 761 C PRO A 47 82.505 4.337 13.487 1.00 0.27 C ATOM 762 O PRO A 47 83.690 4.159 13.276 1.00 0.34 O ATOM 763 CB PRO A 47 82.292 6.853 13.390 1.00 0.24 C ATOM 764 CG PRO A 47 83.173 7.734 14.225 1.00 0.33 C ATOM 765 CD PRO A 47 83.768 6.885 15.315 1.00 0.31 C ATOM 0 HA PRO A 47 80.954 5.453 14.416 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.780 6.597 12.449 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.361 7.362 13.138 1.00 0.24 H new ATOM 0 HG2 PRO A 47 83.959 8.178 13.614 1.00 0.33 H new ATOM 0 HG3 PRO A 47 82.598 8.556 14.651 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.755 6.512 15.040 1.00 0.31 H new ATOM 0 HD3 PRO A 47 83.887 7.447 16.241 1.00 0.31 H new ATOM 773 N LYS A 48 81.591 3.551 12.972 1.00 0.26 N ATOM 774 CA LYS A 48 81.980 2.400 12.098 1.00 0.35 C ATOM 775 C LYS A 48 81.544 2.678 10.658 1.00 0.28 C ATOM 776 O LYS A 48 80.476 3.211 10.424 1.00 0.24 O ATOM 777 CB LYS A 48 81.230 1.192 12.659 1.00 0.45 C ATOM 778 CG LYS A 48 81.662 0.941 14.106 1.00 0.60 C ATOM 779 CD LYS A 48 83.133 0.519 14.130 1.00 0.47 C ATOM 780 CE LYS A 48 83.506 0.045 15.535 1.00 0.48 C ATOM 781 NZ LYS A 48 84.995 0.048 15.559 1.00 1.10 N ATOM 0 H LYS A 48 80.587 3.658 13.120 1.00 0.26 H new ATOM 0 HA LYS A 48 83.057 2.233 12.088 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.155 1.367 12.616 1.00 0.45 H new ATOM 0 HB3 LYS A 48 81.434 0.311 12.051 1.00 0.45 H new ATOM 0 HG2 LYS A 48 81.521 1.843 14.701 1.00 0.60 H new ATOM 0 HG3 LYS A 48 81.042 0.164 14.553 1.00 0.60 H new ATOM 0 HD2 LYS A 48 83.305 -0.279 13.408 1.00 0.47 H new ATOM 0 HD3 LYS A 48 83.767 1.356 13.837 1.00 0.47 H new ATOM 0 HE2 LYS A 48 83.097 0.709 16.297 1.00 0.48 H new ATOM 0 HE3 LYS A 48 83.110 -0.951 15.734 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 85.328 -0.266 16.493 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 85.355 -0.598 14.828 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 85.343 1.010 15.373 1.00 1.10 H new ATOM 795 N GLU A 49 82.389 2.382 9.700 1.00 0.26 N ATOM 796 CA GLU A 49 82.057 2.696 8.277 1.00 0.20 C ATOM 797 C GLU A 49 82.403 1.516 7.365 1.00 0.19 C ATOM 798 O GLU A 49 83.153 0.632 7.737 1.00 0.21 O ATOM 799 CB GLU A 49 82.918 3.911 7.927 1.00 0.25 C ATOM 800 CG GLU A 49 82.536 5.090 8.833 1.00 0.80 C ATOM 801 CD GLU A 49 83.339 6.343 8.451 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.360 6.207 7.792 1.00 0.96 O ATOM 803 OE2 GLU A 49 82.916 7.424 8.828 1.00 1.42 O ATOM 0 H GLU A 49 83.295 1.936 9.844 1.00 0.26 H new ATOM 0 HA GLU A 49 80.993 2.892 8.143 1.00 0.20 H new ATOM 0 HB2 GLU A 49 83.974 3.670 8.052 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.775 4.182 6.881 1.00 0.25 H new ATOM 0 HG2 GLU A 49 81.469 5.294 8.745 1.00 0.80 H new ATOM 0 HG3 GLU A 49 82.726 4.832 9.875 1.00 0.80 H new ATOM 810 N GLY A 50 81.882 1.522 6.163 1.00 0.16 N ATOM 811 CA GLY A 50 82.192 0.431 5.196 1.00 0.16 C ATOM 812 C GLY A 50 81.913 0.913 3.772 1.00 0.15 C ATOM 813 O GLY A 50 80.873 1.477 3.499 1.00 0.17 O ATOM 0 H GLY A 50 81.251 2.242 5.811 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.236 0.132 5.292 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.587 -0.448 5.418 1.00 0.16 H new ATOM 817 N THR A 51 82.804 0.627 2.852 1.00 0.14 N ATOM 818 CA THR A 51 82.560 0.995 1.423 1.00 0.14 C ATOM 819 C THR A 51 82.637 -0.255 0.548 1.00 0.13 C ATOM 820 O THR A 51 83.546 -1.055 0.688 1.00 0.15 O ATOM 821 CB THR A 51 83.689 1.961 1.051 1.00 0.16 C ATOM 822 OG1 THR A 51 83.933 2.853 2.128 1.00 0.18 O ATOM 823 CG2 THR A 51 83.288 2.757 -0.193 1.00 0.21 C ATOM 0 H THR A 51 83.690 0.154 3.031 1.00 0.14 H new ATOM 0 HA THR A 51 81.577 1.443 1.278 1.00 0.14 H new ATOM 0 HB THR A 51 84.596 1.393 0.844 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.892 2.869 2.329 1.00 0.18 H new ATOM 0 HG21 THR A 51 84.090 3.445 -0.459 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.108 2.072 -1.021 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.379 3.322 0.014 1.00 0.21 H new ATOM 831 N PHE A 52 81.732 -0.398 -0.392 1.00 0.12 N ATOM 832 CA PHE A 52 81.804 -1.568 -1.324 1.00 0.13 C ATOM 833 C PHE A 52 81.084 -1.262 -2.652 1.00 0.11 C ATOM 834 O PHE A 52 80.350 -0.295 -2.761 1.00 0.10 O ATOM 835 CB PHE A 52 81.154 -2.741 -0.550 1.00 0.14 C ATOM 836 CG PHE A 52 79.641 -2.620 -0.505 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.013 -1.633 0.328 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.840 -3.491 -1.313 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.581 -1.522 0.350 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.412 -3.380 -1.292 1.00 0.14 C ATOM 841 CZ PHE A 52 76.782 -2.398 -0.463 1.00 0.15 C ATOM 0 H PHE A 52 80.952 0.240 -0.553 1.00 0.12 H new ATOM 0 HA PHE A 52 82.827 -1.811 -1.609 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.429 -3.684 -1.022 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.547 -2.767 0.467 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.616 -0.976 0.937 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.314 -4.233 -1.939 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.105 -0.782 0.976 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.810 -4.038 -1.902 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.705 -2.315 -0.448 1.00 0.15 H new ATOM 851 N THR A 53 81.203 -2.148 -3.611 1.00 0.12 N ATOM 852 CA THR A 53 80.434 -1.999 -4.883 1.00 0.11 C ATOM 853 C THR A 53 79.317 -3.043 -4.931 1.00 0.11 C ATOM 854 O THR A 53 79.478 -4.150 -4.451 1.00 0.12 O ATOM 855 CB THR A 53 81.450 -2.249 -5.998 1.00 0.11 C ATOM 856 OG1 THR A 53 82.540 -1.348 -5.853 1.00 0.13 O ATOM 857 CG2 THR A 53 80.782 -2.032 -7.358 1.00 0.11 C ATOM 0 H THR A 53 81.803 -2.972 -3.566 1.00 0.12 H new ATOM 0 HA THR A 53 79.968 -1.018 -4.977 1.00 0.11 H new ATOM 0 HB THR A 53 81.815 -3.274 -5.935 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.193 -1.508 -6.566 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.507 -2.210 -8.152 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.946 -2.723 -7.467 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.416 -1.007 -7.424 1.00 0.11 H new ATOM 865 N ALA A 54 78.162 -2.667 -5.425 1.00 0.11 N ATOM 866 CA ALA A 54 76.997 -3.602 -5.412 1.00 0.13 C ATOM 867 C ALA A 54 76.177 -3.459 -6.694 1.00 0.13 C ATOM 868 O ALA A 54 75.978 -2.367 -7.189 1.00 0.11 O ATOM 869 CB ALA A 54 76.166 -3.180 -4.194 1.00 0.14 C ATOM 0 H ALA A 54 77.977 -1.752 -5.837 1.00 0.11 H new ATOM 0 HA ALA A 54 77.310 -4.645 -5.356 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.288 -3.821 -4.113 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.769 -3.275 -3.291 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.849 -2.144 -4.311 1.00 0.14 H new ATOM 875 N ARG A 55 75.614 -4.545 -7.169 1.00 0.15 N ATOM 876 CA ARG A 55 74.698 -4.466 -8.345 1.00 0.15 C ATOM 877 C ARG A 55 73.253 -4.343 -7.862 1.00 0.15 C ATOM 878 O ARG A 55 72.883 -4.892 -6.840 1.00 0.16 O ATOM 879 CB ARG A 55 74.900 -5.775 -9.110 1.00 0.19 C ATOM 880 CG ARG A 55 74.344 -5.620 -10.529 1.00 0.27 C ATOM 881 CD ARG A 55 74.513 -6.933 -11.297 1.00 0.45 C ATOM 882 NE ARG A 55 73.422 -7.825 -10.788 1.00 0.90 N ATOM 883 CZ ARG A 55 73.499 -9.142 -10.881 1.00 1.48 C ATOM 884 NH1 ARG A 55 74.529 -9.744 -11.435 1.00 1.67 N ATOM 885 NH2 ARG A 55 72.519 -9.867 -10.413 1.00 2.21 N ATOM 0 H ARG A 55 75.751 -5.482 -6.791 1.00 0.15 H new ATOM 0 HA ARG A 55 74.906 -3.601 -8.975 1.00 0.15 H new ATOM 0 HB2 ARG A 55 75.959 -6.029 -9.147 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.395 -6.592 -8.596 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.290 -5.344 -10.489 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.864 -4.815 -11.048 1.00 0.27 H new ATOM 0 HD2 ARG A 55 74.424 -6.775 -12.372 1.00 0.45 H new ATOM 0 HD3 ARG A 55 75.495 -7.370 -11.119 1.00 0.45 H new ATOM 0 HE ARG A 55 72.598 -7.405 -10.358 1.00 0.90 H new ATOM 0 HH11 ARG A 55 75.301 -9.193 -11.810 1.00 1.67 H new ATOM 0 HH12 ARG A 55 74.556 -10.762 -11.490 1.00 1.67 H new ATOM 0 HH21 ARG A 55 71.711 -9.416 -9.984 1.00 2.21 H new ATOM 0 HH22 ARG A 55 72.562 -10.884 -10.476 1.00 2.21 H new ATOM 899 N VAL A 56 72.445 -3.608 -8.580 1.00 0.14 N ATOM 900 CA VAL A 56 71.022 -3.415 -8.163 1.00 0.14 C ATOM 901 C VAL A 56 70.199 -4.650 -8.531 1.00 0.15 C ATOM 902 O VAL A 56 70.173 -5.074 -9.670 1.00 0.17 O ATOM 903 CB VAL A 56 70.550 -2.177 -8.937 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.059 -1.907 -8.673 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.377 -0.970 -8.485 1.00 0.17 C ATOM 0 H VAL A 56 72.710 -3.130 -9.442 1.00 0.14 H new ATOM 0 HA VAL A 56 70.911 -3.278 -7.087 1.00 0.14 H new ATOM 0 HB VAL A 56 70.684 -2.350 -10.005 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.745 -1.025 -9.231 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.471 -2.767 -8.993 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.903 -1.737 -7.608 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.052 -0.082 -9.028 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.237 -0.813 -7.415 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.432 -1.154 -8.690 1.00 0.17 H new ATOM 915 N GLY A 57 69.512 -5.201 -7.568 1.00 0.16 N ATOM 916 CA GLY A 57 68.655 -6.393 -7.832 1.00 0.19 C ATOM 917 C GLY A 57 67.183 -5.982 -7.878 1.00 0.18 C ATOM 918 O GLY A 57 66.846 -4.813 -7.967 1.00 0.16 O ATOM 0 H GLY A 57 69.507 -4.874 -6.602 1.00 0.16 H new ATOM 0 HA2 GLY A 57 68.941 -6.854 -8.777 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.808 -7.140 -7.053 1.00 0.19 H new ATOM 922 N GLU A 58 66.308 -6.950 -7.829 1.00 0.21 N ATOM 923 CA GLU A 58 64.844 -6.653 -7.888 1.00 0.22 C ATOM 924 C GLU A 58 64.431 -5.788 -6.694 1.00 0.22 C ATOM 925 O GLU A 58 65.055 -5.809 -5.651 1.00 0.24 O ATOM 926 CB GLU A 58 64.151 -8.019 -7.829 1.00 0.27 C ATOM 927 CG GLU A 58 62.642 -7.842 -8.039 1.00 0.81 C ATOM 928 CD GLU A 58 61.910 -9.190 -7.906 1.00 0.80 C ATOM 929 OE1 GLU A 58 62.547 -10.179 -7.569 1.00 1.28 O ATOM 930 OE2 GLU A 58 60.713 -9.208 -8.142 1.00 1.39 O ATOM 0 H GLU A 58 66.544 -7.939 -7.750 1.00 0.21 H new ATOM 0 HA GLU A 58 64.574 -6.102 -8.789 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.560 -8.678 -8.595 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.341 -8.493 -6.866 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.249 -7.136 -7.308 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.455 -7.417 -9.025 1.00 0.81 H new ATOM 937 N GLN A 59 63.388 -5.012 -6.853 1.00 0.25 N ATOM 938 CA GLN A 59 62.904 -4.118 -5.750 1.00 0.30 C ATOM 939 C GLN A 59 64.024 -3.215 -5.207 1.00 0.23 C ATOM 940 O GLN A 59 63.864 -2.614 -4.158 1.00 0.23 O ATOM 941 CB GLN A 59 62.396 -5.059 -4.652 1.00 0.37 C ATOM 942 CG GLN A 59 61.042 -5.640 -5.064 1.00 0.46 C ATOM 943 CD GLN A 59 60.570 -6.637 -4.006 1.00 0.56 C ATOM 944 OE1 GLN A 59 60.049 -6.251 -2.979 1.00 0.82 O ATOM 945 NE2 GLN A 59 60.731 -7.915 -4.218 1.00 0.81 N ATOM 0 H GLN A 59 62.842 -4.958 -7.713 1.00 0.25 H new ATOM 0 HA GLN A 59 62.126 -3.445 -6.111 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.113 -5.863 -4.487 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.300 -4.518 -3.710 1.00 0.37 H new ATOM 0 HG2 GLN A 59 60.310 -4.840 -5.177 1.00 0.46 H new ATOM 0 HG3 GLN A 59 61.126 -6.134 -6.032 1.00 0.46 H new ATOM 0 HE21 GLN A 59 61.169 -8.238 -5.081 1.00 0.81 H new ATOM 0 HE22 GLN A 59 60.419 -8.591 -3.521 1.00 0.81 H new ATOM 954 N GLY A 60 65.078 -2.989 -5.968 1.00 0.19 N ATOM 955 CA GLY A 60 66.097 -1.974 -5.545 1.00 0.16 C ATOM 956 C GLY A 60 66.950 -2.508 -4.389 1.00 0.12 C ATOM 957 O GLY A 60 67.505 -1.736 -3.622 1.00 0.12 O ATOM 0 H GLY A 60 65.272 -3.459 -6.852 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.738 -1.722 -6.390 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.597 -1.055 -5.239 1.00 0.16 H new ATOM 961 N SER A 61 66.998 -3.807 -4.206 1.00 0.14 N ATOM 962 CA SER A 61 67.753 -4.377 -3.047 1.00 0.16 C ATOM 963 C SER A 61 69.258 -4.371 -3.340 1.00 0.15 C ATOM 964 O SER A 61 69.683 -4.648 -4.445 1.00 0.18 O ATOM 965 CB SER A 61 67.245 -5.811 -2.897 1.00 0.21 C ATOM 966 OG SER A 61 65.823 -5.806 -2.872 1.00 1.30 O ATOM 0 H SER A 61 66.547 -4.495 -4.809 1.00 0.14 H new ATOM 0 HA SER A 61 67.601 -3.797 -2.137 1.00 0.16 H new ATOM 0 HB2 SER A 61 67.603 -6.424 -3.724 1.00 0.21 H new ATOM 0 HB3 SER A 61 67.635 -6.253 -1.980 1.00 0.21 H new ATOM 0 HG SER A 61 65.480 -5.837 -3.789 1.00 1.30 H new ATOM 972 N VAL A 62 70.059 -4.152 -2.328 1.00 0.14 N ATOM 973 CA VAL A 62 71.542 -4.236 -2.493 1.00 0.15 C ATOM 974 C VAL A 62 72.156 -4.955 -1.281 1.00 0.14 C ATOM 975 O VAL A 62 71.624 -4.889 -0.189 1.00 0.14 O ATOM 976 CB VAL A 62 72.020 -2.781 -2.588 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.645 -2.017 -1.315 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.540 -2.752 -2.764 1.00 0.21 C ATOM 0 H VAL A 62 69.746 -3.917 -1.386 1.00 0.14 H new ATOM 0 HA VAL A 62 71.839 -4.802 -3.376 1.00 0.15 H new ATOM 0 HB VAL A 62 71.539 -2.308 -3.444 1.00 0.17 H new ATOM 0 HG11 VAL A 62 71.990 -0.986 -1.395 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.562 -2.029 -1.189 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.116 -2.491 -0.454 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.879 -1.718 -2.831 1.00 0.21 H new ATOM 0 HG22 VAL A 62 74.014 -3.234 -1.909 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.811 -3.283 -3.677 1.00 0.21 H new ATOM 988 N ILE A 63 73.206 -5.716 -1.489 1.00 0.16 N ATOM 989 CA ILE A 63 73.781 -6.532 -0.370 1.00 0.17 C ATOM 990 C ILE A 63 75.165 -6.006 0.030 1.00 0.16 C ATOM 991 O ILE A 63 76.095 -6.033 -0.756 1.00 0.19 O ATOM 992 CB ILE A 63 73.896 -7.962 -0.923 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.528 -8.462 -1.430 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.403 -8.899 0.178 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.491 -8.436 -0.300 1.00 0.34 C ATOM 0 H ILE A 63 73.689 -5.807 -2.383 1.00 0.16 H new ATOM 0 HA ILE A 63 73.155 -6.487 0.521 1.00 0.17 H new ATOM 0 HB ILE A 63 74.598 -7.956 -1.757 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.189 -7.836 -2.256 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.626 -9.476 -1.818 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.484 -9.912 -0.215 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.382 -8.563 0.519 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.704 -8.889 1.014 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.533 -8.792 -0.677 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.823 -9.081 0.513 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.380 -7.416 0.068 1.00 0.34 H new ATOM 1007 N ILE A 64 75.337 -5.672 1.287 1.00 0.15 N ATOM 1008 CA ILE A 64 76.698 -5.309 1.798 1.00 0.16 C ATOM 1009 C ILE A 64 77.516 -6.593 2.039 1.00 0.18 C ATOM 1010 O ILE A 64 76.963 -7.592 2.442 1.00 0.20 O ATOM 1011 CB ILE A 64 76.443 -4.568 3.117 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.608 -3.313 2.845 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.775 -4.159 3.751 1.00 0.34 C ATOM 1014 CD1 ILE A 64 75.061 -2.767 4.166 1.00 0.32 C ATOM 0 H ILE A 64 74.592 -5.635 1.983 1.00 0.15 H new ATOM 0 HA ILE A 64 77.263 -4.694 1.097 1.00 0.16 H new ATOM 0 HB ILE A 64 75.906 -5.228 3.798 1.00 0.19 H new ATOM 0 HG12 ILE A 64 76.219 -2.557 2.352 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.786 -3.550 2.169 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.586 -3.633 4.687 1.00 0.34 H new ATOM 0 HG22 ILE A 64 78.372 -5.049 3.949 1.00 0.34 H new ATOM 0 HG23 ILE A 64 78.316 -3.503 3.069 1.00 0.34 H new ATOM 0 HD11 ILE A 64 74.467 -1.874 3.972 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.436 -3.523 4.641 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.890 -2.515 4.827 1.00 0.32 H new ATOM 1026 N PRO A 65 78.812 -6.539 1.799 1.00 0.19 N ATOM 1027 CA PRO A 65 79.671 -7.742 2.016 1.00 0.23 C ATOM 1028 C PRO A 65 79.698 -8.132 3.498 1.00 0.26 C ATOM 1029 O PRO A 65 79.819 -7.292 4.370 1.00 0.23 O ATOM 1030 CB PRO A 65 81.045 -7.274 1.540 1.00 0.26 C ATOM 1031 CG PRO A 65 80.998 -5.800 1.735 1.00 0.24 C ATOM 1032 CD PRO A 65 79.613 -5.396 1.324 1.00 0.21 C ATOM 0 HA PRO A 65 79.317 -8.628 1.489 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.847 -7.730 2.120 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.218 -7.535 0.496 1.00 0.26 H new ATOM 0 HG2 PRO A 65 81.195 -5.533 2.773 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.752 -5.298 1.128 1.00 0.24 H new ATOM 0 HD2 PRO A 65 79.305 -4.460 1.789 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.530 -5.259 0.246 1.00 0.21 H new ATOM 1040 N LYS A 66 79.590 -9.408 3.786 1.00 0.41 N ATOM 1041 CA LYS A 66 79.606 -9.880 5.213 1.00 0.51 C ATOM 1042 C LYS A 66 80.861 -9.384 5.937 1.00 0.44 C ATOM 1043 O LYS A 66 80.836 -9.100 7.121 1.00 0.42 O ATOM 1044 CB LYS A 66 79.611 -11.411 5.132 1.00 0.69 C ATOM 1045 CG LYS A 66 79.526 -11.999 6.542 1.00 0.96 C ATOM 1046 CD LYS A 66 78.099 -11.849 7.073 1.00 1.31 C ATOM 1047 CE LYS A 66 77.994 -12.506 8.450 1.00 1.89 C ATOM 1048 NZ LYS A 66 77.127 -11.593 9.246 1.00 2.62 N ATOM 0 H LYS A 66 79.491 -10.149 3.092 1.00 0.41 H new ATOM 0 HA LYS A 66 78.750 -9.500 5.771 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.769 -11.756 4.532 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.519 -11.756 4.637 1.00 0.69 H new ATOM 0 HG2 LYS A 66 79.811 -13.051 6.526 1.00 0.96 H new ATOM 0 HG3 LYS A 66 80.227 -11.489 7.203 1.00 0.96 H new ATOM 0 HD2 LYS A 66 77.834 -10.794 7.141 1.00 1.31 H new ATOM 0 HD3 LYS A 66 77.393 -12.311 6.383 1.00 1.31 H new ATOM 0 HE2 LYS A 66 77.558 -13.503 8.380 1.00 1.89 H new ATOM 0 HE3 LYS A 66 78.976 -12.619 8.910 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 77.008 -11.976 10.205 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 77.570 -10.654 9.301 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 76.197 -11.510 8.788 1.00 2.62 H new ATOM 1062 N ALA A 67 81.961 -9.303 5.232 1.00 0.43 N ATOM 1063 CA ALA A 67 83.243 -8.859 5.871 1.00 0.40 C ATOM 1064 C ALA A 67 83.082 -7.458 6.467 1.00 0.30 C ATOM 1065 O ALA A 67 83.590 -7.165 7.537 1.00 0.28 O ATOM 1066 CB ALA A 67 84.277 -8.841 4.743 1.00 0.45 C ATOM 0 H ALA A 67 82.029 -9.525 4.239 1.00 0.43 H new ATOM 0 HA ALA A 67 83.542 -9.521 6.684 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.242 -8.524 5.139 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.369 -9.841 4.318 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.957 -8.145 3.967 1.00 0.45 H new ATOM 1072 N LEU A 68 82.360 -6.601 5.790 1.00 0.27 N ATOM 1073 CA LEU A 68 82.147 -5.218 6.312 1.00 0.23 C ATOM 1074 C LEU A 68 81.104 -5.218 7.429 1.00 0.22 C ATOM 1075 O LEU A 68 81.200 -4.442 8.361 1.00 0.22 O ATOM 1076 CB LEU A 68 81.670 -4.385 5.115 1.00 0.28 C ATOM 1077 CG LEU A 68 82.815 -4.197 4.106 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.319 -3.363 2.924 1.00 1.24 C ATOM 1079 CD2 LEU A 68 83.988 -3.465 4.771 1.00 1.82 C ATOM 0 H LEU A 68 81.909 -6.800 4.897 1.00 0.27 H new ATOM 0 HA LEU A 68 83.061 -4.806 6.740 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.828 -4.880 4.632 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.315 -3.413 5.458 1.00 0.28 H new ATOM 0 HG LEU A 68 83.146 -5.177 3.761 1.00 0.99 H new ATOM 0 HD11 LEU A 68 83.130 -3.229 2.208 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.488 -3.876 2.440 1.00 1.24 H new ATOM 0 HD13 LEU A 68 81.985 -2.389 3.281 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.794 -3.337 4.048 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.656 -2.488 5.121 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.349 -4.050 5.617 1.00 1.82 H new ATOM 1091 N ARG A 69 80.120 -6.093 7.367 1.00 0.25 N ATOM 1092 CA ARG A 69 79.090 -6.142 8.460 1.00 0.28 C ATOM 1093 C ARG A 69 79.771 -6.407 9.806 1.00 0.25 C ATOM 1094 O ARG A 69 79.433 -5.811 10.812 1.00 0.26 O ATOM 1095 CB ARG A 69 78.181 -7.336 8.147 1.00 0.35 C ATOM 1096 CG ARG A 69 77.553 -7.226 6.758 1.00 0.46 C ATOM 1097 CD ARG A 69 76.463 -8.297 6.643 1.00 0.56 C ATOM 1098 NE ARG A 69 76.407 -8.675 5.195 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.915 -9.841 4.801 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.435 -10.722 5.654 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.897 -10.123 3.529 1.00 2.30 N ATOM 0 H ARG A 69 79.987 -6.768 6.614 1.00 0.25 H new ATOM 0 HA ARG A 69 78.541 -5.202 8.514 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.758 -8.258 8.212 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.393 -7.399 8.898 1.00 0.35 H new ATOM 0 HG2 ARG A 69 77.128 -6.233 6.610 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.309 -7.368 5.986 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.699 -9.162 7.263 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.501 -7.913 6.984 1.00 0.56 H new ATOM 0 HE ARG A 69 76.756 -8.020 4.495 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.434 -10.517 6.653 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.064 -11.610 5.316 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.258 -9.451 2.852 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.522 -11.016 3.210 1.00 2.30 H new ATOM 1115 N ASP A 70 80.670 -7.359 9.827 1.00 0.25 N ATOM 1116 CA ASP A 70 81.324 -7.753 11.112 1.00 0.25 C ATOM 1117 C ASP A 70 82.267 -6.652 11.592 1.00 0.22 C ATOM 1118 O ASP A 70 82.249 -6.275 12.748 1.00 0.22 O ATOM 1119 CB ASP A 70 82.112 -9.029 10.794 1.00 0.27 C ATOM 1120 CG ASP A 70 81.149 -10.147 10.378 1.00 0.91 C ATOM 1121 OD1 ASP A 70 80.019 -10.139 10.840 1.00 1.68 O ATOM 1122 OD2 ASP A 70 81.559 -10.994 9.601 1.00 1.56 O ATOM 0 H ASP A 70 80.980 -7.881 9.008 1.00 0.25 H new ATOM 0 HA ASP A 70 80.593 -7.913 11.905 1.00 0.25 H new ATOM 0 HB2 ASP A 70 82.826 -8.836 9.994 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.687 -9.339 11.667 1.00 0.27 H new ATOM 1127 N VAL A 71 83.097 -6.142 10.715 1.00 0.21 N ATOM 1128 CA VAL A 71 84.077 -5.083 11.127 1.00 0.21 C ATOM 1129 C VAL A 71 83.326 -3.852 11.653 1.00 0.21 C ATOM 1130 O VAL A 71 83.783 -3.176 12.557 1.00 0.22 O ATOM 1131 CB VAL A 71 84.861 -4.747 9.846 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.835 -3.592 10.102 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.646 -5.981 9.398 1.00 0.28 C ATOM 0 H VAL A 71 83.140 -6.411 9.732 1.00 0.21 H new ATOM 0 HA VAL A 71 84.740 -5.412 11.927 1.00 0.21 H new ATOM 0 HB VAL A 71 84.158 -4.448 9.069 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.381 -3.367 9.186 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.278 -2.710 10.418 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.539 -3.876 10.884 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.203 -5.748 8.491 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.340 -6.276 10.185 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.954 -6.800 9.199 1.00 0.28 H new ATOM 1143 N ILE A 72 82.224 -3.525 11.038 1.00 0.21 N ATOM 1144 CA ILE A 72 81.472 -2.293 11.428 1.00 0.22 C ATOM 1145 C ILE A 72 80.575 -2.559 12.652 1.00 0.22 C ATOM 1146 O ILE A 72 80.195 -1.633 13.348 1.00 0.23 O ATOM 1147 CB ILE A 72 80.633 -1.930 10.193 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.567 -1.666 9.006 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.807 -0.667 10.468 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.738 -1.461 7.737 1.00 0.28 C ATOM 0 H ILE A 72 81.807 -4.060 10.276 1.00 0.21 H new ATOM 0 HA ILE A 72 82.140 -1.481 11.716 1.00 0.22 H new ATOM 0 HB ILE A 72 79.961 -2.757 9.965 1.00 0.24 H new ATOM 0 HG12 ILE A 72 82.178 -0.784 9.200 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.251 -2.505 8.874 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.216 -0.419 9.586 1.00 0.27 H new ATOM 0 HG22 ILE A 72 79.141 -0.845 11.312 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.476 0.161 10.701 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.403 -1.273 6.894 1.00 0.28 H new ATOM 0 HD12 ILE A 72 80.146 -2.355 7.540 1.00 0.28 H new ATOM 0 HD13 ILE A 72 80.073 -0.608 7.871 1.00 0.28 H new ATOM 1162 N GLY A 73 80.295 -3.809 12.966 1.00 0.21 N ATOM 1163 CA GLY A 73 79.498 -4.111 14.196 1.00 0.21 C ATOM 1164 C GLY A 73 78.017 -3.816 13.941 1.00 0.20 C ATOM 1165 O GLY A 73 77.337 -3.268 14.790 1.00 0.22 O ATOM 0 H GLY A 73 80.584 -4.624 12.425 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.627 -5.156 14.476 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.859 -3.510 15.031 1.00 0.21 H new ATOM 1169 N ILE A 74 77.549 -4.060 12.740 1.00 0.20 N ATOM 1170 CA ILE A 74 76.148 -3.666 12.376 1.00 0.21 C ATOM 1171 C ILE A 74 75.168 -4.808 12.676 1.00 0.21 C ATOM 1172 O ILE A 74 75.481 -5.971 12.503 1.00 0.23 O ATOM 1173 CB ILE A 74 76.186 -3.369 10.870 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.229 -2.276 10.563 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.805 -2.899 10.403 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.905 -0.986 11.329 1.00 0.77 C ATOM 0 H ILE A 74 78.076 -4.515 11.995 1.00 0.20 H new ATOM 0 HA ILE A 74 75.809 -2.804 12.951 1.00 0.21 H new ATOM 0 HB ILE A 74 76.463 -4.281 10.341 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.223 -2.628 10.838 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.247 -2.074 9.492 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.835 -2.689 9.334 1.00 0.27 H new ATOM 0 HG22 ILE A 74 74.070 -3.679 10.599 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.527 -1.994 10.943 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.653 -0.228 11.098 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.920 -0.625 11.034 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.911 -1.188 12.400 1.00 0.77 H new ATOM 1188 N LYS A 75 73.998 -4.474 13.166 1.00 0.22 N ATOM 1189 CA LYS A 75 72.995 -5.521 13.533 1.00 0.24 C ATOM 1190 C LYS A 75 71.635 -5.230 12.863 1.00 0.24 C ATOM 1191 O LYS A 75 71.330 -4.092 12.562 1.00 0.23 O ATOM 1192 CB LYS A 75 72.868 -5.427 15.053 1.00 0.29 C ATOM 1193 CG LYS A 75 74.114 -6.027 15.707 1.00 1.19 C ATOM 1194 CD LYS A 75 75.157 -4.928 15.925 1.00 1.71 C ATOM 1195 CE LYS A 75 75.931 -5.206 17.217 1.00 2.52 C ATOM 1196 NZ LYS A 75 77.005 -6.159 16.823 1.00 3.21 N ATOM 0 H LYS A 75 73.694 -3.514 13.328 1.00 0.22 H new ATOM 0 HA LYS A 75 73.302 -6.514 13.204 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.751 -4.386 15.355 1.00 0.29 H new ATOM 0 HB3 LYS A 75 71.977 -5.958 15.388 1.00 0.29 H new ATOM 0 HG2 LYS A 75 73.852 -6.488 16.659 1.00 1.19 H new ATOM 0 HG3 LYS A 75 74.526 -6.814 15.075 1.00 1.19 H new ATOM 0 HD2 LYS A 75 75.843 -4.890 15.079 1.00 1.71 H new ATOM 0 HD3 LYS A 75 74.669 -3.955 15.983 1.00 1.71 H new ATOM 0 HE2 LYS A 75 76.349 -4.289 17.632 1.00 2.52 H new ATOM 0 HE3 LYS A 75 75.283 -5.635 17.981 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 77.580 -6.398 17.656 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 76.577 -7.025 16.438 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 77.610 -5.721 16.099 1.00 3.21 H new ATOM 1210 N PRO A 76 70.825 -6.264 12.688 1.00 0.25 N ATOM 1211 CA PRO A 76 69.472 -6.067 12.097 1.00 0.26 C ATOM 1212 C PRO A 76 68.658 -5.039 12.898 1.00 0.24 C ATOM 1213 O PRO A 76 68.577 -5.108 14.110 1.00 0.23 O ATOM 1214 CB PRO A 76 68.818 -7.447 12.186 1.00 0.29 C ATOM 1215 CG PRO A 76 69.939 -8.420 12.367 1.00 0.50 C ATOM 1216 CD PRO A 76 71.082 -7.680 13.008 1.00 0.28 C ATOM 0 HA PRO A 76 69.523 -5.685 11.077 1.00 0.26 H new ATOM 0 HB2 PRO A 76 68.120 -7.495 13.022 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.250 -7.669 11.283 1.00 0.29 H new ATOM 0 HG2 PRO A 76 69.624 -9.255 12.993 1.00 0.50 H new ATOM 0 HG3 PRO A 76 70.243 -8.837 11.407 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.109 -7.846 14.085 1.00 0.28 H new ATOM 0 HD3 PRO A 76 72.042 -8.010 12.611 1.00 0.28 H new ATOM 1224 N GLY A 77 67.996 -4.136 12.214 1.00 0.24 N ATOM 1225 CA GLY A 77 67.112 -3.149 12.908 1.00 0.24 C ATOM 1226 C GLY A 77 67.876 -1.855 13.243 1.00 0.22 C ATOM 1227 O GLY A 77 67.302 -0.928 13.788 1.00 0.24 O ATOM 0 H GLY A 77 68.031 -4.041 11.199 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.256 -2.915 12.275 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.719 -3.590 13.824 1.00 0.24 H new ATOM 1231 N GLU A 78 69.150 -1.769 12.917 1.00 0.20 N ATOM 1232 CA GLU A 78 69.925 -0.521 13.212 1.00 0.20 C ATOM 1233 C GLU A 78 69.970 0.381 11.985 1.00 0.18 C ATOM 1234 O GLU A 78 70.169 -0.083 10.877 1.00 0.18 O ATOM 1235 CB GLU A 78 71.328 -0.987 13.596 1.00 0.20 C ATOM 1236 CG GLU A 78 71.398 -1.172 15.114 1.00 0.22 C ATOM 1237 CD GLU A 78 72.834 -1.495 15.543 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.576 -2.023 14.730 1.00 1.07 O ATOM 1239 OE2 GLU A 78 73.169 -1.206 16.680 1.00 1.11 O ATOM 0 H GLU A 78 69.682 -2.510 12.460 1.00 0.20 H new ATOM 0 HA GLU A 78 69.466 0.060 14.012 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.564 -1.924 13.092 1.00 0.20 H new ATOM 0 HB3 GLU A 78 72.069 -0.256 13.272 1.00 0.20 H new ATOM 0 HG2 GLU A 78 71.057 -0.266 15.614 1.00 0.22 H new ATOM 0 HG3 GLU A 78 70.730 -1.976 15.421 1.00 0.22 H new ATOM 1246 N VAL A 79 69.693 1.648 12.168 1.00 0.19 N ATOM 1247 CA VAL A 79 69.597 2.574 11.001 1.00 0.18 C ATOM 1248 C VAL A 79 70.952 3.226 10.705 1.00 0.18 C ATOM 1249 O VAL A 79 71.602 3.771 11.577 1.00 0.19 O ATOM 1250 CB VAL A 79 68.553 3.623 11.414 1.00 0.20 C ATOM 1251 CG1 VAL A 79 69.028 4.395 12.659 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.329 4.598 10.252 1.00 0.21 C ATOM 0 H VAL A 79 69.529 2.080 13.077 1.00 0.19 H new ATOM 0 HA VAL A 79 69.310 2.054 10.087 1.00 0.18 H new ATOM 0 HB VAL A 79 67.618 3.118 11.656 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.277 5.134 12.938 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.176 3.699 13.484 1.00 0.24 H new ATOM 0 HG13 VAL A 79 69.968 4.900 12.437 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.589 5.344 10.541 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.268 5.094 10.007 1.00 0.21 H new ATOM 0 HG23 VAL A 79 67.971 4.050 9.381 1.00 0.21 H new ATOM 1262 N ILE A 80 71.342 3.211 9.460 1.00 0.17 N ATOM 1263 CA ILE A 80 72.613 3.864 9.040 1.00 0.17 C ATOM 1264 C ILE A 80 72.319 4.899 7.948 1.00 0.17 C ATOM 1265 O ILE A 80 71.349 4.778 7.220 1.00 0.17 O ATOM 1266 CB ILE A 80 73.498 2.725 8.501 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.808 2.048 7.311 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.739 1.696 9.607 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.743 1.006 6.692 1.00 0.18 C ATOM 0 H ILE A 80 70.823 2.765 8.703 1.00 0.17 H new ATOM 0 HA ILE A 80 73.106 4.391 9.857 1.00 0.17 H new ATOM 0 HB ILE A 80 74.453 3.137 8.174 1.00 0.17 H new ATOM 0 HG12 ILE A 80 71.884 1.572 7.638 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.535 2.794 6.565 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.365 0.890 9.224 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.239 2.176 10.448 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.784 1.287 9.938 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.247 0.528 5.847 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.655 1.494 6.349 1.00 0.18 H new ATOM 0 HD13 ILE A 80 73.993 0.253 7.439 1.00 0.18 H new ATOM 1281 N GLU A 81 73.210 5.832 7.760 1.00 0.18 N ATOM 1282 CA GLU A 81 73.070 6.796 6.632 1.00 0.18 C ATOM 1283 C GLU A 81 73.941 6.327 5.469 1.00 0.17 C ATOM 1284 O GLU A 81 75.047 5.859 5.670 1.00 0.19 O ATOM 1285 CB GLU A 81 73.570 8.132 7.181 1.00 0.20 C ATOM 1286 CG GLU A 81 73.361 9.227 6.131 1.00 0.21 C ATOM 1287 CD GLU A 81 73.954 10.548 6.633 1.00 0.23 C ATOM 1288 OE1 GLU A 81 74.920 10.502 7.378 1.00 1.14 O ATOM 1289 OE2 GLU A 81 73.432 11.586 6.261 1.00 1.04 O ATOM 0 H GLU A 81 74.035 5.969 8.343 1.00 0.18 H new ATOM 0 HA GLU A 81 72.047 6.878 6.266 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.035 8.384 8.096 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.626 8.058 7.440 1.00 0.20 H new ATOM 0 HG2 GLU A 81 73.834 8.939 5.192 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.297 9.350 5.927 1.00 0.21 H new ATOM 1296 N VAL A 82 73.381 6.292 4.289 1.00 0.16 N ATOM 1297 CA VAL A 82 74.091 5.671 3.134 1.00 0.17 C ATOM 1298 C VAL A 82 74.405 6.731 2.076 1.00 0.16 C ATOM 1299 O VAL A 82 73.541 7.470 1.645 1.00 0.17 O ATOM 1300 CB VAL A 82 73.111 4.621 2.595 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.708 3.927 1.370 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.844 3.574 3.678 1.00 0.19 C ATOM 0 H VAL A 82 72.458 6.669 4.075 1.00 0.16 H new ATOM 0 HA VAL A 82 75.045 5.226 3.415 1.00 0.17 H new ATOM 0 HB VAL A 82 72.181 5.115 2.314 1.00 0.18 H new ATOM 0 HG11 VAL A 82 73.005 3.183 0.995 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.904 4.666 0.593 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.641 3.437 1.648 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.148 2.827 3.298 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.781 3.090 3.955 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.413 4.059 4.554 1.00 0.19 H new ATOM 1312 N LEU A 83 75.643 6.799 1.670 1.00 0.16 N ATOM 1313 CA LEU A 83 76.062 7.802 0.644 1.00 0.17 C ATOM 1314 C LEU A 83 76.508 7.073 -0.626 1.00 0.15 C ATOM 1315 O LEU A 83 77.420 6.271 -0.578 1.00 0.12 O ATOM 1316 CB LEU A 83 77.273 8.540 1.248 1.00 0.21 C ATOM 1317 CG LEU A 83 76.974 9.044 2.665 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.218 9.732 3.227 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.810 10.033 2.619 1.00 0.20 C ATOM 0 H LEU A 83 76.393 6.196 2.008 1.00 0.16 H new ATOM 0 HA LEU A 83 75.250 8.483 0.391 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.133 7.871 1.273 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.542 9.382 0.610 1.00 0.21 H new ATOM 0 HG LEU A 83 76.704 8.204 3.306 1.00 0.20 H new ATOM 0 HD11 LEU A 83 78.011 10.092 4.235 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.044 9.021 3.259 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.488 10.574 2.589 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.597 10.391 3.626 1.00 0.20 H new ATOM 0 HD22 LEU A 83 76.075 10.877 1.982 1.00 0.20 H new ATOM 0 HD23 LEU A 83 74.927 9.537 2.216 1.00 0.20 H new ATOM 1331 N LEU A 84 75.980 7.442 -1.768 1.00 0.16 N ATOM 1332 CA LEU A 84 76.502 6.871 -3.050 1.00 0.15 C ATOM 1333 C LEU A 84 77.787 7.595 -3.455 1.00 0.15 C ATOM 1334 O LEU A 84 77.929 8.784 -3.242 1.00 0.17 O ATOM 1335 CB LEU A 84 75.400 7.096 -4.078 1.00 0.18 C ATOM 1336 CG LEU A 84 74.405 5.934 -4.006 1.00 0.21 C ATOM 1337 CD1 LEU A 84 72.997 6.414 -4.402 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.868 4.825 -4.959 1.00 0.28 C ATOM 0 H LEU A 84 75.215 8.109 -1.868 1.00 0.16 H new ATOM 0 HA LEU A 84 76.747 5.812 -2.962 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.891 8.040 -3.883 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.827 7.164 -5.079 1.00 0.18 H new ATOM 0 HG LEU A 84 74.364 5.551 -2.986 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.299 5.579 -4.347 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.676 7.201 -3.720 1.00 0.20 H new ATOM 0 HD13 LEU A 84 73.018 6.803 -5.420 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.166 3.992 -4.916 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.908 5.213 -5.977 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.859 4.481 -4.663 1.00 0.28 H new ATOM 1350 N LEU A 85 78.752 6.864 -3.952 1.00 0.14 N ATOM 1351 CA LEU A 85 80.074 7.473 -4.278 1.00 0.17 C ATOM 1352 C LEU A 85 80.297 7.513 -5.792 1.00 0.18 C ATOM 1353 O LEU A 85 80.991 8.380 -6.294 1.00 0.24 O ATOM 1354 CB LEU A 85 81.101 6.565 -3.601 1.00 0.22 C ATOM 1355 CG LEU A 85 81.367 7.070 -2.182 1.00 0.89 C ATOM 1356 CD1 LEU A 85 81.997 5.951 -1.350 1.00 1.13 C ATOM 1357 CD2 LEU A 85 82.323 8.265 -2.237 1.00 1.60 C ATOM 0 H LEU A 85 78.679 5.865 -4.147 1.00 0.14 H new ATOM 0 HA LEU A 85 80.147 8.504 -3.932 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.733 5.540 -3.571 1.00 0.22 H new ATOM 0 HB3 LEU A 85 82.028 6.554 -4.175 1.00 0.22 H new ATOM 0 HG LEU A 85 80.427 7.377 -1.724 1.00 0.89 H new ATOM 0 HD11 LEU A 85 82.186 6.312 -0.339 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.317 5.100 -1.310 1.00 1.13 H new ATOM 0 HD13 LEU A 85 82.937 5.643 -1.807 1.00 1.13 H new ATOM 0 HD21 LEU A 85 82.513 8.626 -1.226 1.00 1.60 H new ATOM 0 HD22 LEU A 85 83.263 7.958 -2.696 1.00 1.60 H new ATOM 0 HD23 LEU A 85 81.874 9.063 -2.828 1.00 1.60 H new ATOM 1369 N GLY A 86 79.764 6.554 -6.515 1.00 0.16 N ATOM 1370 CA GLY A 86 80.013 6.511 -7.998 1.00 0.20 C ATOM 1371 C GLY A 86 79.081 5.506 -8.681 1.00 0.17 C ATOM 1372 O GLY A 86 78.208 4.936 -8.058 1.00 0.15 O ATOM 0 H GLY A 86 79.174 5.806 -6.150 1.00 0.16 H new ATOM 0 HA2 GLY A 86 79.861 7.502 -8.425 1.00 0.20 H new ATOM 0 HA3 GLY A 86 81.051 6.238 -8.189 1.00 0.20 H new ATOM 1376 N HIS A 87 79.236 5.326 -9.975 1.00 0.20 N ATOM 1377 CA HIS A 87 78.328 4.406 -10.734 1.00 0.19 C ATOM 1378 C HIS A 87 79.099 3.679 -11.851 1.00 0.19 C ATOM 1379 O HIS A 87 80.036 4.214 -12.413 1.00 0.24 O ATOM 1380 CB HIS A 87 77.243 5.318 -11.333 1.00 0.28 C ATOM 1381 CG HIS A 87 77.865 6.359 -12.232 1.00 0.76 C ATOM 1382 ND1 HIS A 87 78.038 6.153 -13.592 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.358 7.615 -11.978 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.613 7.258 -14.100 1.00 1.57 C ATOM 1385 NE2 HIS A 87 78.829 8.182 -13.159 1.00 1.89 N ATOM 0 H HIS A 87 79.956 5.779 -10.538 1.00 0.20 H new ATOM 0 HA HIS A 87 77.905 3.632 -10.093 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.529 4.720 -11.899 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.687 5.806 -10.532 1.00 0.28 H new ATOM 0 HD2 HIS A 87 78.377 8.091 -11.009 1.00 1.72 H new ATOM 0 HE1 HIS A 87 78.869 7.383 -15.142 1.00 1.57 H new ATOM 0 HE2 HIS A 87 79.248 9.104 -13.280 1.00 1.89 H new ATOM 1393 N TYR A 88 78.653 2.500 -12.225 1.00 0.16 N ATOM 1394 CA TYR A 88 79.292 1.773 -13.364 1.00 0.19 C ATOM 1395 C TYR A 88 78.214 1.172 -14.273 1.00 0.21 C ATOM 1396 O TYR A 88 77.212 0.659 -13.804 1.00 0.17 O ATOM 1397 CB TYR A 88 80.127 0.670 -12.714 1.00 0.21 C ATOM 1398 CG TYR A 88 81.268 1.293 -11.945 1.00 0.32 C ATOM 1399 CD1 TYR A 88 82.504 1.590 -12.610 1.00 0.66 C ATOM 1400 CD2 TYR A 88 81.116 1.589 -10.549 1.00 0.59 C ATOM 1401 CE1 TYR A 88 83.589 2.181 -11.880 1.00 0.77 C ATOM 1402 CE2 TYR A 88 82.200 2.181 -9.819 1.00 0.70 C ATOM 1403 CZ TYR A 88 83.437 2.477 -10.484 1.00 0.65 C ATOM 1404 OH TYR A 88 84.478 3.046 -9.782 1.00 0.80 O ATOM 0 H TYR A 88 77.872 2.012 -11.787 1.00 0.16 H new ATOM 0 HA TYR A 88 79.903 2.428 -13.985 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.506 0.074 -12.045 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.514 -0.006 -13.477 1.00 0.21 H new ATOM 0 HD1 TYR A 88 82.618 1.369 -13.661 1.00 0.66 H new ATOM 0 HD2 TYR A 88 80.186 1.366 -10.048 1.00 0.59 H new ATOM 0 HE1 TYR A 88 84.520 2.403 -12.381 1.00 0.77 H new ATOM 0 HE2 TYR A 88 82.085 2.404 -8.769 1.00 0.70 H new ATOM 0 HH TYR A 88 84.178 3.269 -8.876 1.00 0.80 H new