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+ -119:sc= 0.918 (180deg=-0.732) USER MOD Single : A 8 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2.7!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -9:sc= -2.11 USER MOD Single : A 12 HIS : no HD1:sc= -0.525 X(o=-0.53,f=-0.31) USER MOD Single : A 23 THR OG1 : rot 178:sc= -1.14 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -171:sc= -0.533 USER MOD Single : A 31 GLN : amide:sc= -1.01 K(o=-1,f=-0.28) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= 0.586 (180deg=0.462) 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 170:sc= -2.32 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 -100:sc= -1.05 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= -0.379 X(o=-0.38,f=-0.012) USER MOD Single : A 88 TYR OH : rot 176:sc= 0.0099 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 78.821 12.954 -3.757 1.00 0.40 N ATOM 33 CA VAL A 3 77.834 11.863 -3.531 1.00 0.33 C ATOM 34 C VAL A 3 76.728 11.938 -4.597 1.00 0.31 C ATOM 35 O VAL A 3 76.269 13.012 -4.942 1.00 0.37 O ATOM 36 CB VAL A 3 77.313 12.100 -2.092 1.00 0.36 C ATOM 37 CG1 VAL A 3 76.239 13.203 -2.032 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.724 10.798 -1.545 1.00 0.30 C ATOM 0 HA VAL A 3 78.255 10.861 -3.621 1.00 0.33 H new ATOM 0 HB VAL A 3 78.159 12.427 -1.487 1.00 0.36 H new ATOM 0 HG11 VAL A 3 75.906 13.331 -1.002 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.659 14.140 -2.397 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.391 12.919 -2.655 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.357 10.962 -0.532 1.00 0.30 H new ATOM 0 HG22 VAL A 3 75.900 10.475 -2.182 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.495 10.028 -1.531 1.00 0.30 H new ATOM 48 N LEU A 4 76.325 10.815 -5.125 1.00 0.26 N ATOM 49 CA LEU A 4 75.271 10.819 -6.186 1.00 0.28 C ATOM 50 C LEU A 4 73.869 10.794 -5.555 1.00 0.28 C ATOM 51 O LEU A 4 72.902 11.193 -6.177 1.00 0.30 O ATOM 52 CB LEU A 4 75.527 9.553 -7.028 1.00 0.27 C ATOM 53 CG LEU A 4 76.999 9.484 -7.500 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.172 8.300 -8.452 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.401 10.779 -8.225 1.00 0.37 C ATOM 0 H LEU A 4 76.678 9.893 -4.869 1.00 0.26 H new ATOM 0 HA LEU A 4 75.315 11.718 -6.800 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.289 8.667 -6.439 1.00 0.27 H new ATOM 0 HB3 LEU A 4 74.864 9.548 -7.893 1.00 0.27 H new ATOM 0 HG LEU A 4 77.638 9.359 -6.626 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.208 8.250 -8.786 1.00 0.36 H new ATOM 0 HD12 LEU A 4 76.912 7.376 -7.935 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.519 8.429 -9.315 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.440 10.708 -8.548 1.00 0.37 H new ATOM 0 HD22 LEU A 4 76.760 10.923 -9.095 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.289 11.625 -7.547 1.00 0.37 H new ATOM 67 N ALA A 5 73.762 10.405 -4.301 1.00 0.25 N ATOM 68 CA ALA A 5 72.442 10.442 -3.597 1.00 0.25 C ATOM 69 C ALA A 5 72.643 10.113 -2.116 1.00 0.23 C ATOM 70 O ALA A 5 73.620 9.490 -1.745 1.00 0.25 O ATOM 71 CB ALA A 5 71.579 9.372 -4.270 1.00 0.26 C ATOM 0 H ALA A 5 74.539 10.062 -3.736 1.00 0.25 H new ATOM 0 HA ALA A 5 71.972 11.424 -3.657 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.596 9.348 -3.799 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.469 9.607 -5.329 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.057 8.398 -4.162 1.00 0.26 H new ATOM 77 N LYS A 6 71.747 10.555 -1.270 1.00 0.22 N ATOM 78 CA LYS A 6 71.901 10.305 0.197 1.00 0.22 C ATOM 79 C LYS A 6 70.569 9.839 0.795 1.00 0.21 C ATOM 80 O LYS A 6 69.558 10.502 0.654 1.00 0.23 O ATOM 81 CB LYS A 6 72.305 11.662 0.773 1.00 0.24 C ATOM 82 CG LYS A 6 72.649 11.514 2.254 1.00 1.40 C ATOM 83 CD LYS A 6 73.122 12.861 2.801 1.00 1.50 C ATOM 84 CE LYS A 6 74.126 12.628 3.932 1.00 1.79 C ATOM 85 NZ LYS A 6 73.838 13.695 4.930 1.00 2.30 N ATOM 0 H LYS A 6 70.913 11.080 -1.532 1.00 0.22 H new ATOM 0 HA LYS A 6 72.633 9.528 0.418 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.163 12.058 0.229 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.491 12.377 0.649 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.776 11.170 2.809 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.427 10.762 2.385 1.00 1.40 H new ATOM 0 HD2 LYS A 6 73.583 13.447 2.006 1.00 1.50 H new ATOM 0 HD3 LYS A 6 72.271 13.436 3.168 1.00 1.50 H new ATOM 0 HE2 LYS A 6 74.005 11.637 4.369 1.00 1.79 H new ATOM 0 HE3 LYS A 6 75.152 12.694 3.569 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 74.679 14.295 5.050 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 73.043 14.276 4.597 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 73.591 13.260 5.842 1.00 2.30 H new ATOM 99 N PHE A 7 70.560 8.699 1.450 1.00 0.19 N ATOM 100 CA PHE A 7 69.287 8.186 2.046 1.00 0.19 C ATOM 101 C PHE A 7 69.570 7.332 3.291 1.00 0.17 C ATOM 102 O PHE A 7 70.692 6.941 3.537 1.00 0.16 O ATOM 103 CB PHE A 7 68.635 7.362 0.926 1.00 0.20 C ATOM 104 CG PHE A 7 69.503 6.178 0.550 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.715 6.381 -0.194 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.111 4.853 0.934 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.532 5.257 -0.552 1.00 0.19 C ATOM 108 CE2 PHE A 7 69.929 3.730 0.576 1.00 0.20 C ATOM 109 CZ PHE A 7 71.139 3.931 -0.166 1.00 0.20 C ATOM 0 H PHE A 7 71.377 8.106 1.596 1.00 0.19 H new ATOM 0 HA PHE A 7 68.633 8.989 2.386 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.655 7.011 1.250 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.474 7.993 0.052 1.00 0.20 H new ATOM 0 HD1 PHE A 7 71.011 7.378 -0.484 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.200 4.700 1.493 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.443 5.408 -1.112 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.633 2.733 0.866 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.755 3.085 -0.435 1.00 0.20 H new ATOM 119 N HIS A 8 68.565 7.091 4.099 1.00 0.18 N ATOM 120 CA HIS A 8 68.772 6.318 5.363 1.00 0.18 C ATOM 121 C HIS A 8 68.028 4.980 5.297 1.00 0.17 C ATOM 122 O HIS A 8 66.885 4.915 4.882 1.00 0.18 O ATOM 123 CB HIS A 8 68.181 7.199 6.464 1.00 0.20 C ATOM 124 CG HIS A 8 68.956 8.485 6.553 1.00 0.77 C ATOM 125 ND1 HIS A 8 68.618 9.604 5.810 1.00 1.41 N ATOM 126 CD2 HIS A 8 70.051 8.846 7.298 1.00 1.61 C ATOM 127 CE1 HIS A 8 69.494 10.577 6.120 1.00 1.81 C ATOM 128 NE2 HIS A 8 70.389 10.167 7.023 1.00 1.99 N ATOM 0 H HIS A 8 67.606 7.398 3.936 1.00 0.18 H new ATOM 0 HA HIS A 8 69.823 6.089 5.538 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.133 7.409 6.252 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.215 6.676 7.420 1.00 0.20 H new ATOM 0 HD2 HIS A 8 70.571 8.202 7.992 1.00 1.61 H new ATOM 0 HE1 HIS A 8 69.476 11.568 5.691 1.00 1.81 H new ATOM 0 HE2 HIS A 8 71.156 10.707 7.425 1.00 1.99 H new ATOM 136 N THR A 9 68.653 3.926 5.756 1.00 0.16 N ATOM 137 CA THR A 9 67.982 2.589 5.790 1.00 0.17 C ATOM 138 C THR A 9 68.560 1.750 6.940 1.00 0.16 C ATOM 139 O THR A 9 69.643 2.029 7.419 1.00 0.15 O ATOM 140 CB THR A 9 68.264 1.957 4.410 1.00 0.17 C ATOM 141 OG1 THR A 9 67.495 0.771 4.273 1.00 0.18 O ATOM 142 CG2 THR A 9 69.754 1.620 4.253 1.00 0.17 C ATOM 0 H THR A 9 69.609 3.934 6.112 1.00 0.16 H new ATOM 0 HA THR A 9 66.909 2.655 5.969 1.00 0.17 H new ATOM 0 HB THR A 9 67.990 2.675 3.637 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.670 0.367 3.397 1.00 0.18 H new ATOM 0 HG21 THR A 9 69.925 1.176 3.272 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.345 2.531 4.347 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.051 0.913 5.028 1.00 0.17 H new ATOM 150 N THR A 10 67.877 0.708 7.355 1.00 0.17 N ATOM 151 CA THR A 10 68.432 -0.163 8.439 1.00 0.17 C ATOM 152 C THR A 10 68.847 -1.526 7.866 1.00 0.17 C ATOM 153 O THR A 10 68.439 -1.902 6.781 1.00 0.17 O ATOM 154 CB THR A 10 67.314 -0.282 9.511 1.00 0.17 C ATOM 155 OG1 THR A 10 67.875 -0.760 10.721 1.00 0.17 O ATOM 156 CG2 THR A 10 66.202 -1.246 9.082 1.00 0.17 C ATOM 0 H THR A 10 66.966 0.425 6.993 1.00 0.17 H new ATOM 0 HA THR A 10 69.333 0.257 8.886 1.00 0.17 H new ATOM 0 HB THR A 10 66.879 0.709 9.640 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.802 -1.037 10.565 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.443 -1.297 9.863 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.748 -0.889 8.157 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.623 -2.238 8.920 1.00 0.17 H new ATOM 164 N VAL A 11 69.688 -2.236 8.570 1.00 0.17 N ATOM 165 CA VAL A 11 70.183 -3.551 8.056 1.00 0.17 C ATOM 166 C VAL A 11 69.128 -4.638 8.276 1.00 0.17 C ATOM 167 O VAL A 11 68.571 -4.766 9.348 1.00 0.17 O ATOM 168 CB VAL A 11 71.451 -3.859 8.869 1.00 0.21 C ATOM 169 CG1 VAL A 11 72.057 -5.187 8.395 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.479 -2.731 8.677 1.00 0.49 C ATOM 0 H VAL A 11 70.056 -1.963 9.481 1.00 0.17 H new ATOM 0 HA VAL A 11 70.389 -3.518 6.986 1.00 0.17 H new ATOM 0 HB VAL A 11 71.190 -3.934 9.925 1.00 0.21 H new ATOM 0 HG11 VAL A 11 72.956 -5.404 8.973 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.332 -5.989 8.537 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.314 -5.113 7.338 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.376 -2.954 9.255 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.738 -2.651 7.621 1.00 0.49 H new ATOM 0 HG23 VAL A 11 72.052 -1.788 9.018 1.00 0.49 H new ATOM 180 N HIS A 12 68.933 -5.474 7.293 1.00 0.21 N ATOM 181 CA HIS A 12 68.016 -6.642 7.449 1.00 0.25 C ATOM 182 C HIS A 12 68.808 -7.938 7.306 1.00 0.25 C ATOM 183 O HIS A 12 69.993 -7.927 7.037 1.00 0.25 O ATOM 184 CB HIS A 12 66.977 -6.530 6.336 1.00 0.26 C ATOM 185 CG HIS A 12 65.856 -5.638 6.789 1.00 0.31 C ATOM 186 ND1 HIS A 12 66.053 -4.300 7.092 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.522 -5.879 7.004 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.865 -3.791 7.469 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.898 -4.711 7.433 1.00 0.56 N ATOM 0 H HIS A 12 69.375 -5.397 6.377 1.00 0.21 H new ATOM 0 HA HIS A 12 67.538 -6.648 8.428 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.436 -6.126 5.434 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.591 -7.517 6.083 1.00 0.26 H new ATOM 0 HD2 HIS A 12 64.031 -6.830 6.862 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.713 -2.763 7.765 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.914 -4.585 7.669 1.00 0.56 H new ATOM 197 N ARG A 13 68.179 -9.052 7.577 1.00 0.29 N ATOM 198 CA ARG A 13 68.893 -10.378 7.563 1.00 0.32 C ATOM 199 C ARG A 13 69.776 -10.545 6.311 1.00 0.29 C ATOM 200 O ARG A 13 69.571 -9.901 5.303 1.00 0.24 O ATOM 201 CB ARG A 13 67.768 -11.413 7.547 1.00 0.36 C ATOM 202 CG ARG A 13 67.048 -11.412 8.897 1.00 0.72 C ATOM 203 CD ARG A 13 65.990 -12.518 8.912 1.00 1.16 C ATOM 204 NE ARG A 13 65.183 -12.265 10.146 1.00 1.81 N ATOM 205 CZ ARG A 13 65.650 -12.540 11.352 1.00 2.39 C ATOM 206 NH1 ARG A 13 66.848 -13.052 11.536 1.00 2.96 N ATOM 207 NH2 ARG A 13 64.900 -12.297 12.392 1.00 2.76 N ATOM 0 H ARG A 13 67.188 -9.107 7.811 1.00 0.29 H new ATOM 0 HA ARG A 13 69.562 -10.478 8.418 1.00 0.32 H new ATOM 0 HB2 ARG A 13 67.063 -11.186 6.748 1.00 0.36 H new ATOM 0 HB3 ARG A 13 68.175 -12.403 7.341 1.00 0.36 H new ATOM 0 HG2 ARG A 13 67.764 -11.568 9.703 1.00 0.72 H new ATOM 0 HG3 ARG A 13 66.579 -10.443 9.071 1.00 0.72 H new ATOM 0 HD2 ARG A 13 65.367 -12.480 8.018 1.00 1.16 H new ATOM 0 HD3 ARG A 13 66.451 -13.505 8.938 1.00 1.16 H new ATOM 0 HE ARG A 13 64.247 -11.870 10.055 1.00 1.81 H new ATOM 0 HH11 ARG A 13 67.447 -13.249 10.734 1.00 2.96 H new ATOM 0 HH12 ARG A 13 67.178 -13.252 12.480 1.00 2.96 H new ATOM 0 HH21 ARG A 13 63.968 -11.901 12.268 1.00 2.76 H new ATOM 0 HH22 ARG A 13 65.245 -12.503 13.329 1.00 2.76 H new ATOM 221 N ILE A 14 70.825 -11.331 6.424 1.00 0.34 N ATOM 222 CA ILE A 14 71.833 -11.499 5.309 1.00 0.34 C ATOM 223 C ILE A 14 72.560 -10.182 4.963 1.00 0.28 C ATOM 224 O ILE A 14 73.308 -10.139 4.001 1.00 0.29 O ATOM 225 CB ILE A 14 71.058 -12.004 4.076 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.253 -13.259 4.430 1.00 0.31 C ATOM 227 CG2 ILE A 14 72.050 -12.352 2.964 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.267 -13.557 3.299 1.00 0.36 C ATOM 0 H ILE A 14 71.034 -11.878 7.260 1.00 0.34 H new ATOM 0 HA ILE A 14 72.604 -12.202 5.626 1.00 0.34 H new ATOM 0 HB ILE A 14 70.376 -11.221 3.744 1.00 0.36 H new ATOM 0 HG12 ILE A 14 70.923 -14.106 4.578 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.716 -13.110 5.367 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.506 -12.710 2.090 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.623 -11.464 2.697 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.729 -13.130 3.312 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.691 -14.449 3.544 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.591 -12.711 3.174 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.816 -13.723 2.372 1.00 0.36 H new ATOM 240 N GLY A 15 72.370 -9.120 5.721 1.00 0.24 N ATOM 241 CA GLY A 15 73.078 -7.838 5.412 1.00 0.20 C ATOM 242 C GLY A 15 72.392 -7.118 4.240 1.00 0.17 C ATOM 243 O GLY A 15 72.986 -6.259 3.611 1.00 0.15 O ATOM 0 H GLY A 15 71.757 -9.090 6.536 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.080 -7.195 6.292 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.120 -8.041 5.163 1.00 0.20 H new ATOM 247 N ARG A 16 71.176 -7.495 3.902 1.00 0.18 N ATOM 248 CA ARG A 16 70.489 -6.868 2.733 1.00 0.18 C ATOM 249 C ARG A 16 69.792 -5.573 3.159 1.00 0.19 C ATOM 250 O ARG A 16 69.176 -5.512 4.205 1.00 0.24 O ATOM 251 CB ARG A 16 69.463 -7.911 2.274 1.00 0.26 C ATOM 252 CG ARG A 16 68.706 -7.396 1.046 1.00 0.26 C ATOM 253 CD ARG A 16 67.783 -8.497 0.516 1.00 0.76 C ATOM 254 NE ARG A 16 66.720 -8.660 1.559 1.00 0.91 N ATOM 255 CZ ARG A 16 65.581 -9.281 1.302 1.00 1.31 C ATOM 256 NH1 ARG A 16 65.319 -9.792 0.117 1.00 1.96 N ATOM 257 NH2 ARG A 16 64.692 -9.391 2.249 1.00 1.41 N ATOM 0 H ARG A 16 70.635 -8.210 4.388 1.00 0.18 H new ATOM 0 HA ARG A 16 71.184 -6.602 1.937 1.00 0.18 H new ATOM 0 HB2 ARG A 16 69.966 -8.848 2.035 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.762 -8.123 3.081 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.123 -6.513 1.309 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.411 -7.094 0.272 1.00 0.26 H new ATOM 0 HD2 ARG A 16 67.351 -8.219 -0.445 1.00 0.76 H new ATOM 0 HD3 ARG A 16 68.329 -9.428 0.363 1.00 0.76 H new ATOM 0 HE ARG A 16 66.879 -8.282 2.493 1.00 0.91 H new ATOM 0 HH11 ARG A 16 66.004 -9.715 -0.635 1.00 1.96 H new ATOM 0 HH12 ARG A 16 64.431 -10.265 -0.049 1.00 1.96 H new ATOM 0 HH21 ARG A 16 64.880 -9.001 3.173 1.00 1.41 H new ATOM 0 HH22 ARG A 16 63.809 -9.867 2.066 1.00 1.41 H new ATOM 271 N ILE A 17 69.771 -4.594 2.290 1.00 0.18 N ATOM 272 CA ILE A 17 68.965 -3.361 2.553 1.00 0.21 C ATOM 273 C ILE A 17 68.159 -3.003 1.300 1.00 0.19 C ATOM 274 O ILE A 17 68.569 -3.304 0.195 1.00 0.15 O ATOM 275 CB ILE A 17 69.983 -2.261 2.898 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.937 -2.030 1.717 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.793 -2.678 4.128 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.740 -0.742 1.940 1.00 0.30 C ATOM 0 H ILE A 17 70.279 -4.595 1.406 1.00 0.18 H new ATOM 0 HA ILE A 17 68.252 -3.493 3.366 1.00 0.21 H new ATOM 0 HB ILE A 17 69.444 -1.337 3.107 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.614 -2.878 1.614 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.370 -1.960 0.789 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.514 -1.897 4.371 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.121 -2.827 4.973 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.322 -3.607 3.917 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.415 -0.584 1.099 1.00 0.30 H new ATOM 0 HD12 ILE A 17 71.057 0.103 2.021 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.320 -0.829 2.859 1.00 0.30 H new ATOM 290 N ILE A 18 67.057 -2.309 1.458 1.00 0.23 N ATOM 291 CA ILE A 18 66.272 -1.866 0.262 1.00 0.20 C ATOM 292 C ILE A 18 66.246 -0.343 0.189 1.00 0.20 C ATOM 293 O ILE A 18 65.834 0.322 1.124 1.00 0.22 O ATOM 294 CB ILE A 18 64.849 -2.408 0.460 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.873 -3.934 0.678 1.00 0.25 C ATOM 296 CG2 ILE A 18 64.007 -2.079 -0.778 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.544 -4.638 -0.509 1.00 0.24 C ATOM 0 H ILE A 18 66.669 -2.031 2.359 1.00 0.23 H new ATOM 0 HA ILE A 18 66.714 -2.234 -0.664 1.00 0.20 H new ATOM 0 HB ILE A 18 64.413 -1.939 1.342 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.410 -4.167 1.597 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.856 -4.305 0.800 1.00 0.25 H new ATOM 0 HG21 ILE A 18 62.996 -2.462 -0.642 1.00 0.22 H new ATOM 0 HG22 ILE A 18 63.970 -0.998 -0.917 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.456 -2.542 -1.657 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.552 -5.714 -0.337 1.00 0.24 H new ATOM 0 HD12 ILE A 18 64.990 -4.420 -1.422 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.568 -4.280 -0.613 1.00 0.24 H new ATOM 309 N ILE A 19 66.610 0.208 -0.942 1.00 0.17 N ATOM 310 CA ILE A 19 66.525 1.691 -1.115 1.00 0.17 C ATOM 311 C ILE A 19 65.077 2.087 -1.431 1.00 0.19 C ATOM 312 O ILE A 19 64.420 1.406 -2.191 1.00 0.17 O ATOM 313 CB ILE A 19 67.457 2.027 -2.291 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.882 1.537 -1.953 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.452 3.549 -2.507 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.885 1.952 -3.038 1.00 0.23 C ATOM 0 H ILE A 19 66.962 -0.304 -1.751 1.00 0.17 H new ATOM 0 HA ILE A 19 66.820 2.232 -0.216 1.00 0.17 H new ATOM 0 HB ILE A 19 67.118 1.536 -3.203 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.192 1.947 -0.992 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.881 0.452 -1.851 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.110 3.801 -3.339 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.439 3.881 -2.732 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.804 4.046 -1.603 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.879 1.593 -2.771 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.587 1.520 -3.993 1.00 0.23 H new ATOM 0 HD13 ILE A 19 69.902 3.039 -3.121 1.00 0.23 H new ATOM 328 N PRO A 20 64.642 3.226 -0.932 1.00 0.24 N ATOM 329 CA PRO A 20 63.289 3.732 -1.297 1.00 0.28 C ATOM 330 C PRO A 20 63.234 4.020 -2.790 1.00 0.26 C ATOM 331 O PRO A 20 64.204 4.456 -3.378 1.00 0.25 O ATOM 332 CB PRO A 20 63.163 5.020 -0.494 1.00 0.34 C ATOM 333 CG PRO A 20 64.580 5.433 -0.276 1.00 0.35 C ATOM 334 CD PRO A 20 65.320 4.155 -0.008 1.00 0.29 C ATOM 0 HA PRO A 20 62.487 3.025 -1.085 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.603 5.780 -1.039 1.00 0.34 H new ATOM 0 HB3 PRO A 20 62.643 4.856 0.450 1.00 0.34 H new ATOM 0 HG2 PRO A 20 64.981 5.945 -1.151 1.00 0.35 H new ATOM 0 HG3 PRO A 20 64.665 6.122 0.564 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.385 4.244 -0.223 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.230 3.839 1.031 1.00 0.29 H new ATOM 342 N ALA A 21 62.112 3.759 -3.408 1.00 0.28 N ATOM 343 CA ALA A 21 61.990 3.983 -4.883 1.00 0.29 C ATOM 344 C ALA A 21 62.304 5.443 -5.234 1.00 0.31 C ATOM 345 O ALA A 21 62.732 5.745 -6.333 1.00 0.32 O ATOM 346 CB ALA A 21 60.535 3.654 -5.225 1.00 0.33 C ATOM 0 H ALA A 21 61.272 3.399 -2.955 1.00 0.28 H new ATOM 0 HA ALA A 21 62.690 3.364 -5.445 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.371 3.796 -6.293 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.324 2.618 -4.960 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.872 4.313 -4.665 1.00 0.33 H new ATOM 352 N GLY A 22 62.095 6.346 -4.303 1.00 0.34 N ATOM 353 CA GLY A 22 62.375 7.790 -4.581 1.00 0.38 C ATOM 354 C GLY A 22 63.872 7.991 -4.827 1.00 0.37 C ATOM 355 O GLY A 22 64.266 8.693 -5.743 1.00 0.39 O ATOM 0 H GLY A 22 61.744 6.145 -3.367 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.807 8.119 -5.451 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.050 8.401 -3.739 1.00 0.38 H new ATOM 359 N THR A 23 64.705 7.391 -4.013 1.00 0.34 N ATOM 360 CA THR A 23 66.182 7.561 -4.192 1.00 0.34 C ATOM 361 C THR A 23 66.644 6.840 -5.459 1.00 0.30 C ATOM 362 O THR A 23 67.452 7.357 -6.207 1.00 0.32 O ATOM 363 CB THR A 23 66.826 6.942 -2.948 1.00 0.34 C ATOM 364 OG1 THR A 23 66.315 7.584 -1.788 1.00 0.39 O ATOM 365 CG2 THR A 23 68.343 7.130 -3.009 1.00 0.37 C ATOM 0 H THR A 23 64.428 6.793 -3.235 1.00 0.34 H new ATOM 0 HA THR A 23 66.461 8.609 -4.301 1.00 0.34 H new ATOM 0 HB THR A 23 66.596 5.877 -2.909 1.00 0.34 H new ATOM 0 HG1 THR A 23 66.699 7.168 -0.988 1.00 0.39 H new ATOM 0 HG21 THR A 23 68.800 6.689 -2.123 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.735 6.641 -3.901 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.577 8.194 -3.046 1.00 0.37 H new ATOM 373 N ARG A 24 66.086 5.683 -5.750 1.00 0.26 N ATOM 374 CA ARG A 24 66.445 4.966 -7.034 1.00 0.25 C ATOM 375 C ARG A 24 66.188 5.896 -8.225 1.00 0.28 C ATOM 376 O ARG A 24 66.934 5.922 -9.182 1.00 0.29 O ATOM 377 CB ARG A 24 65.523 3.740 -7.170 1.00 0.25 C ATOM 378 CG ARG A 24 65.405 2.955 -5.860 1.00 0.23 C ATOM 379 CD ARG A 24 65.063 1.498 -6.167 1.00 0.24 C ATOM 380 NE ARG A 24 64.259 1.037 -4.993 1.00 0.27 N ATOM 381 CZ ARG A 24 63.402 0.036 -5.084 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.224 -0.633 -6.202 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.717 -0.297 -4.028 1.00 0.39 N ATOM 0 H ARG A 24 65.403 5.204 -5.163 1.00 0.26 H new ATOM 0 HA ARG A 24 67.494 4.669 -7.016 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.532 4.066 -7.486 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.907 3.084 -7.951 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.341 3.010 -5.305 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.634 3.395 -5.228 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.495 1.412 -7.093 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.965 0.898 -6.289 1.00 0.24 H new ATOM 0 HE ARG A 24 64.376 1.509 -4.096 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.757 -0.384 -7.036 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.553 -1.401 -6.236 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.848 0.212 -3.154 1.00 0.39 H new ATOM 0 HH22 ARG A 24 62.049 -1.067 -4.075 1.00 0.39 H new ATOM 397 N LYS A 25 65.100 6.621 -8.171 1.00 0.32 N ATOM 398 CA LYS A 25 64.725 7.524 -9.301 1.00 0.37 C ATOM 399 C LYS A 25 65.762 8.636 -9.452 1.00 0.38 C ATOM 400 O LYS A 25 66.270 8.881 -10.529 1.00 0.40 O ATOM 401 CB LYS A 25 63.362 8.108 -8.906 1.00 0.42 C ATOM 402 CG LYS A 25 62.843 9.017 -10.018 1.00 1.08 C ATOM 403 CD LYS A 25 61.502 9.623 -9.598 1.00 1.68 C ATOM 404 CE LYS A 25 60.908 10.411 -10.769 1.00 2.42 C ATOM 405 NZ LYS A 25 59.433 10.328 -10.577 1.00 2.97 N ATOM 0 H LYS A 25 64.450 6.626 -7.385 1.00 0.32 H new ATOM 0 HA LYS A 25 64.682 6.998 -10.255 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.651 7.302 -8.722 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.453 8.671 -7.977 1.00 0.42 H new ATOM 0 HG2 LYS A 25 63.564 9.809 -10.221 1.00 1.08 H new ATOM 0 HG3 LYS A 25 62.724 8.449 -10.941 1.00 1.08 H new ATOM 0 HD2 LYS A 25 60.815 8.835 -9.291 1.00 1.68 H new ATOM 0 HD3 LYS A 25 61.640 10.278 -8.738 1.00 1.68 H new ATOM 0 HE2 LYS A 25 61.250 11.446 -10.763 1.00 2.42 H new ATOM 0 HE3 LYS A 25 61.207 9.983 -11.726 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 58.954 10.845 -11.342 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 59.136 9.331 -10.594 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 59.178 10.749 -9.661 1.00 2.97 H new ATOM 419 N PHE A 26 66.090 9.296 -8.371 1.00 0.38 N ATOM 420 CA PHE A 26 67.101 10.406 -8.428 1.00 0.42 C ATOM 421 C PHE A 26 68.432 9.899 -8.995 1.00 0.42 C ATOM 422 O PHE A 26 69.124 10.608 -9.702 1.00 0.46 O ATOM 423 CB PHE A 26 67.273 10.864 -6.975 1.00 0.43 C ATOM 424 CG PHE A 26 68.207 12.048 -6.920 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.761 13.338 -7.364 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.544 11.884 -6.423 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.650 14.462 -7.312 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.433 13.009 -6.371 1.00 0.64 C ATOM 429 CZ PHE A 26 69.987 14.298 -6.815 1.00 0.67 C ATOM 0 H PHE A 26 65.702 9.116 -7.445 1.00 0.38 H new ATOM 0 HA PHE A 26 66.777 11.219 -9.078 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.305 11.133 -6.552 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.670 10.048 -6.371 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.755 13.462 -7.737 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.881 10.914 -6.088 1.00 0.56 H new ATOM 0 HE1 PHE A 26 68.314 15.432 -7.647 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.439 12.885 -5.997 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.656 15.145 -6.775 1.00 0.67 H new ATOM 439 N TYR A 27 68.814 8.702 -8.638 1.00 0.39 N ATOM 440 CA TYR A 27 70.133 8.153 -9.092 1.00 0.42 C ATOM 441 C TYR A 27 70.002 7.440 -10.452 1.00 0.35 C ATOM 442 O TYR A 27 70.992 7.196 -11.118 1.00 0.37 O ATOM 443 CB TYR A 27 70.516 7.161 -7.989 1.00 0.46 C ATOM 444 CG TYR A 27 71.897 6.588 -8.222 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.108 5.591 -9.234 1.00 0.85 C ATOM 446 CD2 TYR A 27 72.996 7.021 -7.408 1.00 0.95 C ATOM 447 CE1 TYR A 27 73.413 5.030 -9.430 1.00 1.10 C ATOM 448 CE2 TYR A 27 74.299 6.452 -7.598 1.00 1.16 C ATOM 449 CZ TYR A 27 74.506 5.457 -8.609 1.00 1.18 C ATOM 450 OH TYR A 27 75.755 4.905 -8.786 1.00 1.44 O ATOM 0 H TYR A 27 68.268 8.074 -8.048 1.00 0.39 H new ATOM 0 HA TYR A 27 70.881 8.932 -9.239 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.486 7.661 -7.021 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.786 6.353 -7.954 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.282 5.263 -9.848 1.00 0.85 H new ATOM 0 HD2 TYR A 27 72.842 7.776 -6.651 1.00 0.95 H new ATOM 0 HE1 TYR A 27 73.572 4.286 -10.196 1.00 1.10 H new ATOM 0 HE2 TYR A 27 75.124 6.773 -6.979 1.00 1.16 H new ATOM 0 HH TYR A 27 76.347 5.196 -8.061 1.00 1.44 H new ATOM 460 N GLY A 28 68.796 7.140 -10.891 1.00 0.31 N ATOM 461 CA GLY A 28 68.623 6.478 -12.221 1.00 0.29 C ATOM 462 C GLY A 28 69.005 4.997 -12.110 1.00 0.26 C ATOM 463 O GLY A 28 69.717 4.473 -12.949 1.00 0.27 O ATOM 0 H GLY A 28 67.931 7.326 -10.384 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.590 6.574 -12.555 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.246 6.970 -12.968 1.00 0.29 H new ATOM 467 N ILE A 29 68.590 4.336 -11.052 1.00 0.24 N ATOM 468 CA ILE A 29 68.987 2.904 -10.849 1.00 0.23 C ATOM 469 C ILE A 29 68.004 1.966 -11.555 1.00 0.20 C ATOM 470 O ILE A 29 66.825 1.945 -11.252 1.00 0.22 O ATOM 471 CB ILE A 29 68.944 2.667 -9.328 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.911 3.631 -8.635 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.356 1.223 -9.016 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.810 3.488 -7.112 1.00 0.42 C ATOM 0 H ILE A 29 67.994 4.726 -10.322 1.00 0.24 H new ATOM 0 HA ILE A 29 69.976 2.705 -11.263 1.00 0.23 H new ATOM 0 HB ILE A 29 67.931 2.840 -8.966 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.932 3.427 -8.959 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.683 4.656 -8.926 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.324 1.060 -7.939 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.669 0.534 -9.508 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.368 1.047 -9.380 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.504 4.180 -6.635 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.793 3.715 -6.792 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.061 2.467 -6.825 1.00 0.42 H new ATOM 486 N GLU A 30 68.526 1.071 -12.353 1.00 0.17 N ATOM 487 CA GLU A 30 67.688 -0.023 -12.926 1.00 0.18 C ATOM 488 C GLU A 30 68.361 -1.369 -12.646 1.00 0.17 C ATOM 489 O GLU A 30 69.549 -1.428 -12.387 1.00 0.18 O ATOM 490 CB GLU A 30 67.634 0.253 -14.430 1.00 0.22 C ATOM 491 CG GLU A 30 66.982 1.620 -14.679 1.00 1.06 C ATOM 492 CD GLU A 30 66.852 1.883 -16.189 1.00 1.14 C ATOM 493 OE1 GLU A 30 67.549 1.239 -16.958 1.00 1.37 O ATOM 494 OE2 GLU A 30 66.058 2.738 -16.547 1.00 1.82 O ATOM 0 H GLU A 30 69.506 1.052 -12.634 1.00 0.17 H new ATOM 0 HA GLU A 30 66.687 -0.058 -12.495 1.00 0.18 H new ATOM 0 HB2 GLU A 30 68.640 0.237 -14.849 1.00 0.22 H new ATOM 0 HB3 GLU A 30 67.066 -0.529 -14.933 1.00 0.22 H new ATOM 0 HG2 GLU A 30 65.998 1.652 -14.212 1.00 1.06 H new ATOM 0 HG3 GLU A 30 67.580 2.405 -14.216 1.00 1.06 H new ATOM 501 N GLN A 31 67.616 -2.448 -12.680 1.00 0.20 N ATOM 502 CA GLN A 31 68.220 -3.793 -12.392 1.00 0.20 C ATOM 503 C GLN A 31 69.381 -4.078 -13.353 1.00 0.19 C ATOM 504 O GLN A 31 69.296 -3.810 -14.537 1.00 0.20 O ATOM 505 CB GLN A 31 67.090 -4.804 -12.607 1.00 0.25 C ATOM 506 CG GLN A 31 66.044 -4.643 -11.503 1.00 1.08 C ATOM 507 CD GLN A 31 64.905 -5.639 -11.731 1.00 1.10 C ATOM 508 OE1 GLN A 31 63.977 -5.359 -12.465 1.00 0.70 O ATOM 509 NE2 GLN A 31 64.936 -6.797 -11.131 1.00 1.99 N ATOM 0 H GLN A 31 66.619 -2.458 -12.894 1.00 0.20 H new ATOM 0 HA GLN A 31 68.624 -3.845 -11.381 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.630 -4.650 -13.583 1.00 0.25 H new ATOM 0 HB3 GLN A 31 67.489 -5.818 -12.599 1.00 0.25 H new ATOM 0 HG2 GLN A 31 66.500 -4.813 -10.528 1.00 1.08 H new ATOM 0 HG3 GLN A 31 65.656 -3.624 -11.501 1.00 1.08 H new ATOM 0 HE21 GLN A 31 65.715 -7.032 -10.515 1.00 1.99 H new ATOM 0 HE22 GLN A 31 64.182 -7.468 -11.278 1.00 1.99 H new ATOM 518 N GLY A 32 70.453 -4.636 -12.846 1.00 0.18 N ATOM 519 CA GLY A 32 71.621 -4.966 -13.716 1.00 0.19 C ATOM 520 C GLY A 32 72.664 -3.836 -13.685 1.00 0.17 C ATOM 521 O GLY A 32 73.808 -4.051 -14.044 1.00 0.18 O ATOM 0 H GLY A 32 70.568 -4.878 -11.862 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.078 -5.897 -13.381 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.283 -5.127 -14.740 1.00 0.19 H new ATOM 525 N ASP A 33 72.306 -2.655 -13.215 1.00 0.15 N ATOM 526 CA ASP A 33 73.315 -1.552 -13.117 1.00 0.14 C ATOM 527 C ASP A 33 74.223 -1.780 -11.909 1.00 0.13 C ATOM 528 O ASP A 33 73.806 -2.357 -10.924 1.00 0.14 O ATOM 529 CB ASP A 33 72.502 -0.268 -12.936 1.00 0.13 C ATOM 530 CG ASP A 33 71.702 0.035 -14.207 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.106 -0.407 -15.273 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.700 0.717 -14.090 1.00 1.07 O ATOM 0 H ASP A 33 71.367 -2.414 -12.899 1.00 0.15 H new ATOM 0 HA ASP A 33 73.954 -1.503 -13.999 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.825 -0.374 -12.088 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.168 0.564 -12.710 1.00 0.13 H new ATOM 537 N PHE A 34 75.418 -1.235 -11.934 1.00 0.12 N ATOM 538 CA PHE A 34 76.301 -1.314 -10.735 1.00 0.11 C ATOM 539 C PHE A 34 76.448 0.070 -10.115 1.00 0.10 C ATOM 540 O PHE A 34 76.670 1.041 -10.810 1.00 0.11 O ATOM 541 CB PHE A 34 77.648 -1.812 -11.256 1.00 0.12 C ATOM 542 CG PHE A 34 77.542 -3.275 -11.610 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.101 -3.668 -12.917 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.885 -4.274 -10.638 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.001 -5.061 -13.252 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.785 -5.665 -10.972 1.00 0.20 C ATOM 547 CZ PHE A 34 77.344 -6.059 -12.280 1.00 0.21 C ATOM 0 H PHE A 34 75.815 -0.741 -12.733 1.00 0.12 H new ATOM 0 HA PHE A 34 75.899 -1.975 -9.967 1.00 0.11 H new ATOM 0 HB2 PHE A 34 77.946 -1.236 -12.132 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.419 -1.665 -10.500 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.844 -2.917 -13.649 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.219 -3.978 -9.654 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.668 -5.357 -14.236 1.00 0.20 H new ATOM 0 HE2 PHE A 34 78.041 -6.416 -10.240 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.270 -7.107 -12.532 1.00 0.21 H new ATOM 557 N VAL A 35 76.415 0.149 -8.811 1.00 0.09 N ATOM 558 CA VAL A 35 76.657 1.455 -8.132 1.00 0.09 C ATOM 559 C VAL A 35 77.696 1.264 -7.027 1.00 0.10 C ATOM 560 O VAL A 35 77.845 0.181 -6.493 1.00 0.10 O ATOM 561 CB VAL A 35 75.294 1.885 -7.569 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.295 2.048 -8.721 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.765 0.829 -6.593 1.00 0.15 C ATOM 0 H VAL A 35 76.231 -0.636 -8.186 1.00 0.09 H new ATOM 0 HA VAL A 35 77.049 2.218 -8.804 1.00 0.09 H new ATOM 0 HB VAL A 35 75.414 2.831 -7.042 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.327 2.353 -8.323 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.659 2.808 -9.413 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.188 1.099 -9.247 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.799 1.147 -6.202 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.651 -0.122 -7.113 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.469 0.710 -5.769 1.00 0.15 H new ATOM 573 N GLU A 36 78.410 2.306 -6.681 1.00 0.12 N ATOM 574 CA GLU A 36 79.440 2.194 -5.608 1.00 0.13 C ATOM 575 C GLU A 36 79.016 3.072 -4.449 1.00 0.13 C ATOM 576 O GLU A 36 78.605 4.197 -4.658 1.00 0.13 O ATOM 577 CB GLU A 36 80.737 2.706 -6.237 1.00 0.14 C ATOM 578 CG GLU A 36 81.898 2.506 -5.253 1.00 0.15 C ATOM 579 CD GLU A 36 83.200 3.102 -5.818 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.155 3.738 -6.862 1.00 1.09 O ATOM 581 OE2 GLU A 36 84.227 2.913 -5.188 1.00 1.03 O ATOM 0 H GLU A 36 78.322 3.232 -7.099 1.00 0.12 H new ATOM 0 HA GLU A 36 79.566 1.178 -5.233 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.938 2.173 -7.166 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.639 3.762 -6.490 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.659 2.979 -4.300 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.035 1.443 -5.056 1.00 0.15 H new ATOM 588 N ILE A 37 78.890 2.495 -3.283 1.00 0.12 N ATOM 589 CA ILE A 37 78.221 3.221 -2.170 1.00 0.11 C ATOM 590 C ILE A 37 78.948 2.976 -0.844 1.00 0.11 C ATOM 591 O ILE A 37 79.636 1.985 -0.679 1.00 0.12 O ATOM 592 CB ILE A 37 76.800 2.644 -2.153 1.00 0.12 C ATOM 593 CG1 ILE A 37 75.966 3.347 -1.079 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.840 1.138 -1.866 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.473 3.224 -1.415 1.00 0.14 C ATOM 0 H ILE A 37 79.220 1.557 -3.056 1.00 0.12 H new ATOM 0 HA ILE A 37 78.223 4.303 -2.306 1.00 0.11 H new ATOM 0 HB ILE A 37 76.346 2.807 -3.130 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.166 2.905 -0.103 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.248 4.398 -1.016 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.824 0.742 -1.857 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.419 0.635 -2.641 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.306 0.965 -0.896 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.885 3.726 -0.647 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.278 3.687 -2.382 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.195 2.171 -1.455 1.00 0.14 H new ATOM 607 N LYS A 38 78.763 3.851 0.108 1.00 0.12 N ATOM 608 CA LYS A 38 79.396 3.666 1.448 1.00 0.13 C ATOM 609 C LYS A 38 78.375 3.902 2.562 1.00 0.13 C ATOM 610 O LYS A 38 77.525 4.764 2.455 1.00 0.14 O ATOM 611 CB LYS A 38 80.502 4.715 1.519 1.00 0.13 C ATOM 612 CG LYS A 38 81.353 4.444 2.759 1.00 0.18 C ATOM 613 CD LYS A 38 82.538 5.416 2.812 1.00 0.25 C ATOM 614 CE LYS A 38 82.028 6.856 2.927 1.00 1.03 C ATOM 615 NZ LYS A 38 83.047 7.560 3.755 1.00 1.11 N ATOM 0 H LYS A 38 78.196 4.694 0.015 1.00 0.12 H new ATOM 0 HA LYS A 38 79.780 2.654 1.576 1.00 0.13 H new ATOM 0 HB2 LYS A 38 81.119 4.676 0.621 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.072 5.715 1.567 1.00 0.13 H new ATOM 0 HG2 LYS A 38 80.745 4.552 3.657 1.00 0.18 H new ATOM 0 HG3 LYS A 38 81.717 3.417 2.742 1.00 0.18 H new ATOM 0 HD2 LYS A 38 83.176 5.178 3.663 1.00 0.25 H new ATOM 0 HD3 LYS A 38 83.148 5.308 1.915 1.00 0.25 H new ATOM 0 HE2 LYS A 38 81.928 7.319 1.945 1.00 1.03 H new ATOM 0 HE3 LYS A 38 81.045 6.890 3.397 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 82.767 8.554 3.878 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 83.115 7.101 4.686 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 83.971 7.517 3.279 1.00 1.11 H new ATOM 629 N ILE A 39 78.491 3.182 3.652 1.00 0.14 N ATOM 630 CA ILE A 39 77.567 3.405 4.811 1.00 0.14 C ATOM 631 C ILE A 39 78.346 3.923 6.019 1.00 0.13 C ATOM 632 O ILE A 39 79.497 3.581 6.217 1.00 0.13 O ATOM 633 CB ILE A 39 76.952 2.037 5.134 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.062 1.010 5.401 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.088 1.570 3.964 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.471 -0.218 6.094 1.00 0.20 C ATOM 0 H ILE A 39 79.186 2.448 3.790 1.00 0.14 H new ATOM 0 HA ILE A 39 76.803 4.144 4.571 1.00 0.14 H new ATOM 0 HB ILE A 39 76.332 2.129 6.026 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.534 0.718 4.463 1.00 0.16 H new ATOM 0 HG13 ILE A 39 78.839 1.453 6.025 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.653 0.598 4.198 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.290 2.292 3.790 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.703 1.486 3.068 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.261 -0.945 6.282 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.019 0.080 7.040 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.711 -0.666 5.454 1.00 0.20 H new ATOM 648 N VAL A 40 77.696 4.688 6.858 1.00 0.13 N ATOM 649 CA VAL A 40 78.353 5.177 8.106 1.00 0.12 C ATOM 650 C VAL A 40 77.363 5.106 9.273 1.00 0.16 C ATOM 651 O VAL A 40 76.297 5.696 9.232 1.00 0.20 O ATOM 652 CB VAL A 40 78.743 6.632 7.818 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.458 7.225 9.039 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.683 6.690 6.604 1.00 0.16 C ATOM 0 H VAL A 40 76.732 4.996 6.731 1.00 0.13 H new ATOM 0 HA VAL A 40 79.221 4.577 8.379 1.00 0.12 H new ATOM 0 HB VAL A 40 77.841 7.206 7.606 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.734 8.259 8.832 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.792 7.193 9.902 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.356 6.645 9.252 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.956 7.726 6.405 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.583 6.111 6.812 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.178 6.274 5.732 1.00 0.16 H new ATOM 664 N LYS A 41 77.738 4.436 10.330 1.00 0.17 N ATOM 665 CA LYS A 41 76.869 4.366 11.540 1.00 0.22 C ATOM 666 C LYS A 41 77.712 4.593 12.791 1.00 0.21 C ATOM 667 O LYS A 41 78.880 4.263 12.825 1.00 0.22 O ATOM 668 CB LYS A 41 76.274 2.956 11.532 1.00 0.28 C ATOM 669 CG LYS A 41 75.360 2.760 12.750 1.00 0.54 C ATOM 670 CD LYS A 41 74.180 3.733 12.677 1.00 1.11 C ATOM 671 CE LYS A 41 73.107 3.311 13.683 1.00 1.50 C ATOM 672 NZ LYS A 41 72.350 4.558 13.984 1.00 1.98 N ATOM 0 H LYS A 41 78.620 3.929 10.407 1.00 0.17 H new ATOM 0 HA LYS A 41 76.087 5.126 11.536 1.00 0.22 H new ATOM 0 HB2 LYS A 41 75.708 2.797 10.614 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.074 2.216 11.545 1.00 0.28 H new ATOM 0 HG2 LYS A 41 74.995 1.733 12.780 1.00 0.54 H new ATOM 0 HG3 LYS A 41 75.923 2.925 13.669 1.00 0.54 H new ATOM 0 HD2 LYS A 41 74.517 4.747 12.893 1.00 1.11 H new ATOM 0 HD3 LYS A 41 73.765 3.743 11.669 1.00 1.11 H new ATOM 0 HE2 LYS A 41 72.454 2.544 13.266 1.00 1.50 H new ATOM 0 HE3 LYS A 41 73.554 2.893 14.585 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 71.675 4.377 14.754 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 73.013 5.305 14.274 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 71.833 4.864 13.135 1.00 1.98 H new ATOM 686 N TYR A 42 77.136 5.193 13.797 1.00 0.20 N ATOM 687 CA TYR A 42 77.914 5.498 15.038 1.00 0.20 C ATOM 688 C TYR A 42 77.508 4.548 16.167 1.00 0.27 C ATOM 689 O TYR A 42 76.339 4.413 16.481 1.00 0.33 O ATOM 690 CB TYR A 42 77.551 6.941 15.389 1.00 0.22 C ATOM 691 CG TYR A 42 78.532 7.471 16.405 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.816 7.945 15.977 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.183 7.503 17.797 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.753 8.450 16.938 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.120 8.010 18.760 1.00 0.25 C ATOM 696 CZ TYR A 42 80.406 8.483 18.330 1.00 0.28 C ATOM 697 OH TYR A 42 81.307 8.971 19.254 1.00 0.33 O ATOM 0 H TYR A 42 76.159 5.487 13.816 1.00 0.20 H new ATOM 0 HA TYR A 42 78.987 5.373 14.893 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.569 7.561 14.492 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.538 6.986 15.788 1.00 0.22 H new ATOM 0 HD1 TYR A 42 80.078 7.922 14.929 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.216 7.146 18.120 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.720 8.806 16.614 1.00 0.28 H new ATOM 0 HE2 TYR A 42 78.858 8.036 19.807 1.00 0.25 H new ATOM 0 HH TYR A 42 80.914 8.924 20.151 1.00 0.33 H new ATOM 759 N PRO A 47 82.815 5.927 15.478 1.00 0.25 N ATOM 760 CA PRO A 47 82.036 5.689 14.240 1.00 0.21 C ATOM 761 C PRO A 47 82.562 4.440 13.517 1.00 0.27 C ATOM 762 O PRO A 47 83.758 4.268 13.361 1.00 0.34 O ATOM 763 CB PRO A 47 82.262 6.946 13.389 1.00 0.24 C ATOM 764 CG PRO A 47 83.155 7.850 14.187 1.00 0.33 C ATOM 765 CD PRO A 47 83.749 7.047 15.312 1.00 0.31 C ATOM 0 HA PRO A 47 80.978 5.516 14.438 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.723 6.690 12.435 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.315 7.437 13.164 1.00 0.24 H new ATOM 0 HG2 PRO A 47 83.943 8.261 13.556 1.00 0.33 H new ATOM 0 HG3 PRO A 47 82.589 8.694 14.580 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.752 6.698 15.067 1.00 0.31 H new ATOM 0 HD3 PRO A 47 83.831 7.638 16.225 1.00 0.31 H new ATOM 773 N LYS A 48 81.678 3.667 12.938 1.00 0.26 N ATOM 774 CA LYS A 48 82.109 2.538 12.058 1.00 0.35 C ATOM 775 C LYS A 48 81.599 2.769 10.636 1.00 0.28 C ATOM 776 O LYS A 48 80.490 3.226 10.440 1.00 0.24 O ATOM 777 CB LYS A 48 81.468 1.290 12.661 1.00 0.45 C ATOM 778 CG LYS A 48 82.008 1.069 14.073 1.00 0.60 C ATOM 779 CD LYS A 48 83.488 0.697 13.989 1.00 0.47 C ATOM 780 CE LYS A 48 84.001 0.304 15.378 1.00 0.48 C ATOM 781 NZ LYS A 48 84.853 -0.895 15.148 1.00 1.10 N ATOM 0 H LYS A 48 80.668 3.771 13.038 1.00 0.26 H new ATOM 0 HA LYS A 48 83.194 2.445 12.003 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.384 1.402 12.689 1.00 0.45 H new ATOM 0 HB3 LYS A 48 81.683 0.421 12.038 1.00 0.45 H new ATOM 0 HG2 LYS A 48 81.880 1.972 14.670 1.00 0.60 H new ATOM 0 HG3 LYS A 48 81.449 0.276 14.570 1.00 0.60 H new ATOM 0 HD2 LYS A 48 83.626 -0.130 13.292 1.00 0.47 H new ATOM 0 HD3 LYS A 48 84.063 1.539 13.603 1.00 0.47 H new ATOM 0 HE2 LYS A 48 84.573 1.114 15.831 1.00 0.48 H new ATOM 0 HE3 LYS A 48 83.176 0.079 16.054 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 85.242 -1.224 16.055 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 84.280 -1.651 14.722 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 85.633 -0.648 14.506 1.00 1.10 H new ATOM 795 N GLU A 49 82.423 2.518 9.650 1.00 0.26 N ATOM 796 CA GLU A 49 82.017 2.790 8.237 1.00 0.20 C ATOM 797 C GLU A 49 82.397 1.619 7.329 1.00 0.19 C ATOM 798 O GLU A 49 83.198 0.776 7.692 1.00 0.21 O ATOM 799 CB GLU A 49 82.790 4.047 7.837 1.00 0.25 C ATOM 800 CG GLU A 49 82.370 5.216 8.738 1.00 0.80 C ATOM 801 CD GLU A 49 83.074 6.510 8.301 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.078 6.426 7.609 1.00 0.96 O ATOM 803 OE2 GLU A 49 82.593 7.570 8.669 1.00 1.42 O ATOM 0 H GLU A 49 83.362 2.135 9.763 1.00 0.26 H new ATOM 0 HA GLU A 49 80.939 2.922 8.143 1.00 0.20 H new ATOM 0 HB2 GLU A 49 83.862 3.871 7.927 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.594 4.290 6.793 1.00 0.25 H new ATOM 0 HG2 GLU A 49 81.289 5.349 8.691 1.00 0.80 H new ATOM 0 HG3 GLU A 49 82.619 4.992 9.775 1.00 0.80 H new ATOM 810 N GLY A 50 81.865 1.597 6.133 1.00 0.16 N ATOM 811 CA GLY A 50 82.225 0.527 5.161 1.00 0.16 C ATOM 812 C GLY A 50 81.917 1.001 3.743 1.00 0.15 C ATOM 813 O GLY A 50 80.851 1.520 3.480 1.00 0.17 O ATOM 0 H GLY A 50 81.192 2.281 5.788 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.283 0.280 5.251 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.666 -0.382 5.381 1.00 0.16 H new ATOM 817 N THR A 51 82.818 0.771 2.819 1.00 0.14 N ATOM 818 CA THR A 51 82.556 1.147 1.395 1.00 0.14 C ATOM 819 C THR A 51 82.690 -0.086 0.503 1.00 0.13 C ATOM 820 O THR A 51 83.627 -0.855 0.640 1.00 0.15 O ATOM 821 CB THR A 51 83.637 2.175 1.039 1.00 0.16 C ATOM 822 OG1 THR A 51 83.842 3.052 2.138 1.00 0.18 O ATOM 823 CG2 THR A 51 83.199 2.990 -0.185 1.00 0.21 C ATOM 0 H THR A 51 83.726 0.338 2.990 1.00 0.14 H new ATOM 0 HA THR A 51 81.553 1.549 1.254 1.00 0.14 H new ATOM 0 HB THR A 51 84.565 1.651 0.811 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.637 3.601 1.974 1.00 0.18 H new ATOM 0 HG21 THR A 51 83.971 3.718 -0.433 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.046 2.321 -1.032 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.268 3.510 0.039 1.00 0.21 H new ATOM 831 N PHE A 52 81.781 -0.265 -0.425 1.00 0.12 N ATOM 832 CA PHE A 52 81.878 -1.438 -1.350 1.00 0.13 C ATOM 833 C PHE A 52 81.143 -1.159 -2.675 1.00 0.11 C ATOM 834 O PHE A 52 80.391 -0.207 -2.789 1.00 0.10 O ATOM 835 CB PHE A 52 81.256 -2.619 -0.565 1.00 0.14 C ATOM 836 CG PHE A 52 79.742 -2.515 -0.498 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.115 -1.519 0.325 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.937 -3.412 -1.276 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.683 -1.424 0.368 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.508 -3.316 -1.234 1.00 0.14 C ATOM 841 CZ PHE A 52 76.880 -2.324 -0.413 1.00 0.15 C ATOM 0 H PHE A 52 80.980 0.347 -0.582 1.00 0.12 H new ATOM 0 HA PHE A 52 82.906 -1.658 -1.639 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.535 -3.559 -1.041 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.664 -2.639 0.445 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.720 -0.842 0.911 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.409 -4.161 -1.895 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.210 -0.676 0.987 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.904 -3.992 -1.821 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.803 -2.253 -0.381 1.00 0.15 H new ATOM 851 N THR A 53 81.267 -2.054 -3.624 1.00 0.12 N ATOM 852 CA THR A 53 80.481 -1.935 -4.889 1.00 0.11 C ATOM 853 C THR A 53 79.370 -2.988 -4.902 1.00 0.11 C ATOM 854 O THR A 53 79.547 -4.087 -4.410 1.00 0.12 O ATOM 855 CB THR A 53 81.485 -2.201 -6.012 1.00 0.11 C ATOM 856 OG1 THR A 53 82.570 -1.289 -5.899 1.00 0.13 O ATOM 857 CG2 THR A 53 80.799 -2.018 -7.368 1.00 0.11 C ATOM 0 H THR A 53 81.883 -2.866 -3.575 1.00 0.12 H new ATOM 0 HA THR A 53 80.008 -0.959 -4.997 1.00 0.11 H new ATOM 0 HB THR A 53 81.858 -3.222 -5.933 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.216 -1.458 -6.616 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.516 -2.208 -8.167 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.968 -2.718 -7.453 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.424 -0.998 -7.452 1.00 0.11 H new ATOM 865 N ALA A 54 78.205 -2.628 -5.383 1.00 0.11 N ATOM 866 CA ALA A 54 77.046 -3.570 -5.340 1.00 0.13 C ATOM 867 C ALA A 54 76.210 -3.453 -6.614 1.00 0.13 C ATOM 868 O ALA A 54 76.025 -2.375 -7.145 1.00 0.11 O ATOM 869 CB ALA A 54 76.229 -3.134 -4.119 1.00 0.14 C ATOM 0 H ALA A 54 78.008 -1.720 -5.804 1.00 0.11 H new ATOM 0 HA ALA A 54 77.365 -4.610 -5.271 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.356 -3.779 -4.016 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.845 -3.211 -3.223 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.904 -2.101 -4.248 1.00 0.14 H new ATOM 875 N ARG A 55 75.637 -4.547 -7.055 1.00 0.15 N ATOM 876 CA ARG A 55 74.726 -4.500 -8.236 1.00 0.15 C ATOM 877 C ARG A 55 73.282 -4.336 -7.768 1.00 0.15 C ATOM 878 O ARG A 55 72.891 -4.864 -6.741 1.00 0.16 O ATOM 879 CB ARG A 55 74.907 -5.840 -8.946 1.00 0.19 C ATOM 880 CG ARG A 55 74.288 -5.762 -10.343 1.00 0.27 C ATOM 881 CD ARG A 55 74.314 -7.147 -10.995 1.00 0.45 C ATOM 882 NE ARG A 55 73.966 -6.913 -12.434 1.00 0.90 N ATOM 883 CZ ARG A 55 73.548 -7.894 -13.216 1.00 1.48 C ATOM 884 NH1 ARG A 55 73.406 -9.126 -12.775 1.00 1.67 N ATOM 885 NH2 ARG A 55 73.265 -7.632 -14.463 1.00 2.21 N ATOM 0 H ARG A 55 75.763 -5.472 -6.645 1.00 0.15 H new ATOM 0 HA ARG A 55 74.952 -3.663 -8.897 1.00 0.15 H new ATOM 0 HB2 ARG A 55 75.967 -6.085 -9.019 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.434 -6.636 -8.371 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.262 -5.399 -10.277 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.839 -5.050 -10.957 1.00 0.27 H new ATOM 0 HD2 ARG A 55 75.296 -7.609 -10.898 1.00 0.45 H new ATOM 0 HD3 ARG A 55 73.598 -7.818 -10.521 1.00 0.45 H new ATOM 0 HE ARG A 55 74.054 -5.973 -12.820 1.00 0.90 H new ATOM 0 HH11 ARG A 55 73.621 -9.348 -11.803 1.00 1.67 H new ATOM 0 HH12 ARG A 55 73.081 -9.859 -13.405 1.00 1.67 H new ATOM 0 HH21 ARG A 55 73.368 -6.682 -14.821 1.00 2.21 H new ATOM 0 HH22 ARG A 55 72.941 -8.377 -15.080 1.00 2.21 H new ATOM 899 N VAL A 56 72.488 -3.617 -8.517 1.00 0.14 N ATOM 900 CA VAL A 56 71.059 -3.418 -8.134 1.00 0.14 C ATOM 901 C VAL A 56 70.240 -4.652 -8.518 1.00 0.15 C ATOM 902 O VAL A 56 70.227 -5.071 -9.660 1.00 0.17 O ATOM 903 CB VAL A 56 70.607 -2.181 -8.920 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.112 -1.903 -8.678 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.432 -0.975 -8.459 1.00 0.17 C ATOM 0 H VAL A 56 72.770 -3.156 -9.382 1.00 0.14 H new ATOM 0 HA VAL A 56 70.925 -3.278 -7.061 1.00 0.14 H new ATOM 0 HB VAL A 56 70.758 -2.358 -9.985 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.810 -1.022 -9.244 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.525 -2.762 -9.003 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.942 -1.728 -7.616 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.120 -0.088 -9.011 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.275 -0.813 -7.393 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.489 -1.165 -8.645 1.00 0.17 H new ATOM 915 N GLY A 57 69.538 -5.203 -7.566 1.00 0.16 N ATOM 916 CA GLY A 57 68.678 -6.388 -7.844 1.00 0.19 C ATOM 917 C GLY A 57 67.214 -5.962 -7.930 1.00 0.18 C ATOM 918 O GLY A 57 66.891 -4.786 -8.003 1.00 0.16 O ATOM 0 H GLY A 57 69.523 -4.880 -6.599 1.00 0.16 H new ATOM 0 HA2 GLY A 57 68.984 -6.859 -8.778 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.803 -7.131 -7.057 1.00 0.19 H new ATOM 922 N GLU A 58 66.324 -6.918 -7.915 1.00 0.21 N ATOM 923 CA GLU A 58 64.865 -6.598 -7.994 1.00 0.22 C ATOM 924 C GLU A 58 64.445 -5.751 -6.790 1.00 0.22 C ATOM 925 O GLU A 58 65.059 -5.793 -5.741 1.00 0.24 O ATOM 926 CB GLU A 58 64.151 -7.955 -7.973 1.00 0.27 C ATOM 927 CG GLU A 58 62.648 -7.750 -8.203 1.00 0.81 C ATOM 928 CD GLU A 58 61.893 -9.089 -8.111 1.00 0.80 C ATOM 929 OE1 GLU A 58 62.515 -10.099 -7.805 1.00 1.39 O ATOM 930 OE2 GLU A 58 60.698 -9.081 -8.351 1.00 1.28 O ATOM 0 H GLU A 58 66.544 -7.912 -7.851 1.00 0.21 H new ATOM 0 HA GLU A 58 64.618 -6.026 -8.888 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.562 -8.605 -8.745 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.318 -8.451 -7.017 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.254 -7.054 -7.463 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.483 -7.301 -9.183 1.00 0.81 H new ATOM 937 N GLN A 59 63.412 -4.961 -6.948 1.00 0.25 N ATOM 938 CA GLN A 59 62.928 -4.078 -5.837 1.00 0.30 C ATOM 939 C GLN A 59 64.053 -3.193 -5.273 1.00 0.23 C ATOM 940 O GLN A 59 63.889 -2.599 -4.223 1.00 0.23 O ATOM 941 CB GLN A 59 62.403 -5.028 -4.754 1.00 0.37 C ATOM 942 CG GLN A 59 61.050 -5.595 -5.189 1.00 0.46 C ATOM 943 CD GLN A 59 60.565 -6.611 -4.154 1.00 0.56 C ATOM 944 OE1 GLN A 59 60.050 -6.242 -3.117 1.00 0.82 O ATOM 945 NE2 GLN A 59 60.708 -7.885 -4.396 1.00 0.81 N ATOM 0 H GLN A 59 62.875 -4.888 -7.812 1.00 0.25 H new ATOM 0 HA GLN A 59 62.159 -3.394 -6.196 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.113 -5.838 -4.590 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.300 -4.497 -3.808 1.00 0.37 H new ATOM 0 HG2 GLN A 59 60.323 -4.790 -5.292 1.00 0.46 H new ATOM 0 HG3 GLN A 59 61.140 -6.070 -6.166 1.00 0.46 H new ATOM 0 HE21 GLN A 59 61.140 -8.193 -5.267 1.00 0.81 H new ATOM 0 HE22 GLN A 59 60.387 -8.573 -3.714 1.00 0.81 H new ATOM 954 N GLY A 60 65.115 -2.969 -6.023 1.00 0.19 N ATOM 955 CA GLY A 60 66.138 -1.965 -5.585 1.00 0.16 C ATOM 956 C GLY A 60 66.967 -2.505 -4.416 1.00 0.12 C ATOM 957 O GLY A 60 67.522 -1.737 -3.645 1.00 0.12 O ATOM 0 H GLY A 60 65.313 -3.434 -6.909 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.795 -1.721 -6.420 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.643 -1.040 -5.288 1.00 0.16 H new ATOM 961 N SER A 61 67.000 -3.804 -4.231 1.00 0.14 N ATOM 962 CA SER A 61 67.739 -4.379 -3.064 1.00 0.16 C ATOM 963 C SER A 61 69.243 -4.404 -3.348 1.00 0.15 C ATOM 964 O SER A 61 69.671 -4.692 -4.450 1.00 0.18 O ATOM 965 CB SER A 61 67.203 -5.800 -2.901 1.00 0.21 C ATOM 966 OG SER A 61 67.661 -6.335 -1.666 1.00 1.30 O ATOM 0 H SER A 61 66.548 -4.489 -4.837 1.00 0.14 H new ATOM 0 HA SER A 61 67.594 -3.787 -2.160 1.00 0.16 H new ATOM 0 HB2 SER A 61 66.113 -5.795 -2.927 1.00 0.21 H new ATOM 0 HB3 SER A 61 67.539 -6.425 -3.728 1.00 0.21 H new ATOM 0 HG SER A 61 68.428 -6.923 -1.829 1.00 1.30 H new ATOM 972 N VAL A 62 70.038 -4.180 -2.336 1.00 0.14 N ATOM 973 CA VAL A 62 71.523 -4.273 -2.490 1.00 0.15 C ATOM 974 C VAL A 62 72.124 -4.979 -1.266 1.00 0.14 C ATOM 975 O VAL A 62 71.587 -4.896 -0.178 1.00 0.14 O ATOM 976 CB VAL A 62 72.007 -2.820 -2.597 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.625 -2.039 -1.336 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.528 -2.800 -2.762 1.00 0.21 C ATOM 0 H VAL A 62 69.720 -3.934 -1.399 1.00 0.14 H new ATOM 0 HA VAL A 62 71.824 -4.851 -3.364 1.00 0.15 H new ATOM 0 HB VAL A 62 71.534 -2.354 -3.461 1.00 0.17 H new ATOM 0 HG11 VAL A 62 71.974 -1.010 -1.425 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.541 -2.045 -1.218 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.087 -2.505 -0.466 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.872 -1.769 -2.838 1.00 0.21 H new ATOM 0 HG22 VAL A 62 73.994 -3.275 -1.899 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.803 -3.342 -3.667 1.00 0.21 H new ATOM 988 N ILE A 63 73.175 -5.743 -1.457 1.00 0.16 N ATOM 989 CA ILE A 63 73.746 -6.540 -0.323 1.00 0.17 C ATOM 990 C ILE A 63 75.121 -5.996 0.083 1.00 0.16 C ATOM 991 O ILE A 63 76.059 -6.025 -0.692 1.00 0.19 O ATOM 992 CB ILE A 63 73.879 -7.976 -0.858 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.521 -8.494 -1.372 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.385 -8.895 0.259 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.473 -8.467 -0.250 1.00 0.34 C ATOM 0 H ILE A 63 73.661 -5.849 -2.347 1.00 0.16 H new ATOM 0 HA ILE A 63 73.111 -6.490 0.562 1.00 0.17 H new ATOM 0 HB ILE A 63 74.588 -7.974 -1.686 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.184 -7.880 -2.207 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.632 -9.511 -1.749 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.479 -9.912 -0.121 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.358 -8.546 0.605 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.679 -8.882 1.089 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.521 -8.836 -0.632 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.804 -9.101 0.573 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.349 -7.445 0.107 1.00 0.34 H new ATOM 1007 N ILE A 64 75.276 -5.642 1.338 1.00 0.15 N ATOM 1008 CA ILE A 64 76.628 -5.259 1.858 1.00 0.16 C ATOM 1009 C ILE A 64 77.457 -6.531 2.118 1.00 0.18 C ATOM 1010 O ILE A 64 76.910 -7.531 2.526 1.00 0.20 O ATOM 1011 CB ILE A 64 76.352 -4.510 3.169 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.505 -3.266 2.880 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.674 -4.079 3.811 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.945 -2.715 4.192 1.00 0.32 C ATOM 0 H ILE A 64 74.523 -5.602 2.025 1.00 0.15 H new ATOM 0 HA ILE A 64 77.192 -4.644 1.157 1.00 0.16 H new ATOM 0 HB ILE A 64 75.816 -5.171 3.850 1.00 0.19 H new ATOM 0 HG12 ILE A 64 76.111 -2.508 2.384 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.690 -3.517 2.201 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.471 -3.548 4.741 1.00 0.34 H new ATOM 0 HG22 ILE A 64 78.281 -4.960 4.021 1.00 0.34 H new ATOM 0 HG23 ILE A 64 78.213 -3.422 3.128 1.00 0.34 H new ATOM 0 HD11 ILE A 64 74.342 -1.830 3.987 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.325 -3.473 4.670 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.768 -2.448 4.855 1.00 0.32 H new ATOM 1026 N PRO A 65 78.754 -6.466 1.887 1.00 0.19 N ATOM 1027 CA PRO A 65 79.623 -7.659 2.118 1.00 0.23 C ATOM 1028 C PRO A 65 79.636 -8.040 3.603 1.00 0.26 C ATOM 1029 O PRO A 65 79.776 -7.199 4.471 1.00 0.23 O ATOM 1030 CB PRO A 65 80.997 -7.180 1.654 1.00 0.26 C ATOM 1031 CG PRO A 65 80.931 -5.704 1.839 1.00 0.24 C ATOM 1032 CD PRO A 65 79.547 -5.319 1.409 1.00 0.21 C ATOM 0 HA PRO A 65 79.286 -8.551 1.591 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.798 -7.623 2.246 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.185 -7.446 0.614 1.00 0.26 H new ATOM 0 HG2 PRO A 65 81.112 -5.428 2.878 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.686 -5.197 1.238 1.00 0.24 H new ATOM 0 HD2 PRO A 65 79.224 -4.381 1.861 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.474 -5.193 0.329 1.00 0.21 H new ATOM 1040 N LYS A 66 79.492 -9.311 3.898 1.00 0.41 N ATOM 1041 CA LYS A 66 79.491 -9.775 5.327 1.00 0.51 C ATOM 1042 C LYS A 66 80.761 -9.315 6.049 1.00 0.44 C ATOM 1043 O LYS A 66 80.747 -9.031 7.233 1.00 0.42 O ATOM 1044 CB LYS A 66 79.442 -11.304 5.259 1.00 0.69 C ATOM 1045 CG LYS A 66 79.313 -11.874 6.674 1.00 0.96 C ATOM 1046 CD LYS A 66 79.142 -13.393 6.602 1.00 1.31 C ATOM 1047 CE LYS A 66 80.466 -14.041 6.188 1.00 1.89 C ATOM 1048 NZ LYS A 66 80.076 -15.195 5.331 1.00 2.62 N ATOM 0 H LYS A 66 79.374 -10.052 3.208 1.00 0.41 H new ATOM 0 HA LYS A 66 78.647 -9.363 5.881 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.598 -11.625 4.648 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.344 -11.687 4.782 1.00 0.69 H new ATOM 0 HG2 LYS A 66 80.198 -11.625 7.259 1.00 0.96 H new ATOM 0 HG3 LYS A 66 78.459 -11.425 7.181 1.00 0.96 H new ATOM 0 HD2 LYS A 66 78.824 -13.779 7.570 1.00 1.31 H new ATOM 0 HD3 LYS A 66 78.361 -13.647 5.885 1.00 1.31 H new ATOM 0 HE2 LYS A 66 81.096 -13.339 5.642 1.00 1.89 H new ATOM 0 HE3 LYS A 66 81.034 -14.369 7.058 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 80.931 -15.691 5.007 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 79.482 -15.850 5.879 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 79.542 -14.851 4.507 1.00 2.62 H new ATOM 1062 N ALA A 67 81.863 -9.262 5.342 1.00 0.43 N ATOM 1063 CA ALA A 67 83.157 -8.850 5.978 1.00 0.40 C ATOM 1064 C ALA A 67 83.033 -7.445 6.574 1.00 0.30 C ATOM 1065 O ALA A 67 83.547 -7.166 7.645 1.00 0.28 O ATOM 1066 CB ALA A 67 84.189 -8.861 4.846 1.00 0.45 C ATOM 0 H ALA A 67 81.924 -9.487 4.349 1.00 0.43 H new ATOM 0 HA ALA A 67 83.441 -9.518 6.791 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.163 -8.569 5.239 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.254 -9.863 4.423 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.885 -8.159 4.070 1.00 0.45 H new ATOM 1072 N LEU A 68 82.324 -6.573 5.901 1.00 0.27 N ATOM 1073 CA LEU A 68 82.134 -5.189 6.432 1.00 0.23 C ATOM 1074 C LEU A 68 81.092 -5.181 7.551 1.00 0.22 C ATOM 1075 O LEU A 68 81.202 -4.415 8.490 1.00 0.22 O ATOM 1076 CB LEU A 68 81.666 -4.340 5.242 1.00 0.28 C ATOM 1077 CG LEU A 68 82.811 -4.163 4.231 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.325 -3.310 3.058 1.00 1.24 C ATOM 1079 CD2 LEU A 68 83.998 -3.455 4.898 1.00 1.82 C ATOM 0 H LEU A 68 81.869 -6.760 5.007 1.00 0.27 H new ATOM 0 HA LEU A 68 83.056 -4.795 6.860 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.815 -4.818 4.758 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.327 -3.365 5.593 1.00 0.28 H new ATOM 0 HG LEU A 68 83.125 -5.145 3.878 1.00 0.99 H new ATOM 0 HD11 LEU A 68 83.135 -3.183 2.340 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.484 -3.805 2.572 1.00 1.24 H new ATOM 0 HD13 LEU A 68 82.009 -2.333 3.425 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.804 -3.334 4.174 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.683 -2.475 5.256 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.352 -4.052 5.738 1.00 1.82 H new ATOM 1091 N ARG A 69 80.097 -6.042 7.483 1.00 0.25 N ATOM 1092 CA ARG A 69 79.067 -6.087 8.578 1.00 0.28 C ATOM 1093 C ARG A 69 79.745 -6.363 9.921 1.00 0.25 C ATOM 1094 O ARG A 69 79.416 -5.768 10.930 1.00 0.26 O ATOM 1095 CB ARG A 69 78.148 -7.273 8.261 1.00 0.35 C ATOM 1096 CG ARG A 69 77.521 -7.158 6.871 1.00 0.46 C ATOM 1097 CD ARG A 69 76.428 -8.227 6.754 1.00 0.56 C ATOM 1098 NE ARG A 69 76.370 -8.605 5.306 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.889 -9.776 4.914 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.413 -10.657 5.767 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.877 -10.060 3.642 1.00 2.30 N ATOM 0 H ARG A 69 79.955 -6.709 6.725 1.00 0.25 H new ATOM 0 HA ARG A 69 78.526 -5.142 8.636 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.718 -8.200 8.326 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.359 -7.330 9.011 1.00 0.35 H new ATOM 0 HG2 ARG A 69 77.099 -6.164 6.725 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.277 -7.300 6.099 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.662 -9.093 7.374 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.467 -7.841 7.095 1.00 0.56 H new ATOM 0 HE ARG A 69 76.709 -7.946 4.605 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.406 -10.448 6.765 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.050 -11.549 5.430 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.234 -9.385 2.965 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.510 -10.957 3.323 1.00 2.30 H new ATOM 1115 N ASP A 70 80.632 -7.326 9.939 1.00 0.25 N ATOM 1116 CA ASP A 70 81.282 -7.736 11.222 1.00 0.25 C ATOM 1117 C ASP A 70 82.238 -6.647 11.706 1.00 0.22 C ATOM 1118 O ASP A 70 82.230 -6.281 12.867 1.00 0.22 O ATOM 1119 CB ASP A 70 82.054 -9.019 10.898 1.00 0.27 C ATOM 1120 CG ASP A 70 81.078 -10.125 10.482 1.00 0.91 C ATOM 1121 OD1 ASP A 70 79.948 -10.104 10.946 1.00 1.68 O ATOM 1122 OD2 ASP A 70 81.477 -10.976 9.703 1.00 1.56 O ATOM 0 H ASP A 70 80.935 -7.848 9.117 1.00 0.25 H new ATOM 0 HA ASP A 70 80.550 -7.893 12.014 1.00 0.25 H new ATOM 0 HB2 ASP A 70 82.768 -8.831 10.096 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.629 -9.337 11.768 1.00 0.27 H new ATOM 1127 N VAL A 71 83.067 -6.136 10.829 1.00 0.21 N ATOM 1128 CA VAL A 71 84.059 -5.090 11.247 1.00 0.21 C ATOM 1129 C VAL A 71 83.323 -3.858 11.790 1.00 0.21 C ATOM 1130 O VAL A 71 83.786 -3.204 12.707 1.00 0.22 O ATOM 1131 CB VAL A 71 84.838 -4.748 9.963 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.824 -3.605 10.225 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.610 -5.984 9.498 1.00 0.28 C ATOM 0 H VAL A 71 83.102 -6.396 9.843 1.00 0.21 H new ATOM 0 HA VAL A 71 84.723 -5.433 12.040 1.00 0.21 H new ATOM 0 HB VAL A 71 84.132 -4.436 9.193 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.367 -3.375 9.308 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.277 -2.721 10.554 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.530 -3.904 10.999 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.163 -5.747 8.589 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.307 -6.292 10.277 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.911 -6.795 9.296 1.00 0.28 H new ATOM 1143 N ILE A 72 82.220 -3.512 11.186 1.00 0.21 N ATOM 1144 CA ILE A 72 81.479 -2.281 11.604 1.00 0.22 C ATOM 1145 C ILE A 72 80.589 -2.567 12.828 1.00 0.22 C ATOM 1146 O ILE A 72 80.226 -1.656 13.551 1.00 0.23 O ATOM 1147 CB ILE A 72 80.632 -1.890 10.381 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.555 -1.627 9.185 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.835 -0.614 10.683 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.715 -1.391 7.928 1.00 0.28 C ATOM 0 H ILE A 72 81.795 -4.030 10.417 1.00 0.21 H new ATOM 0 HA ILE A 72 82.153 -1.478 11.902 1.00 0.22 H new ATOM 0 HB ILE A 72 79.944 -2.704 10.151 1.00 0.24 H new ATOM 0 HG12 ILE A 72 82.184 -0.759 9.382 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.222 -2.476 9.034 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.238 -0.343 9.812 1.00 0.27 H new ATOM 0 HG22 ILE A 72 79.177 -0.789 11.534 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.523 0.198 10.917 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.374 -1.204 7.080 1.00 0.28 H new ATOM 0 HD12 ILE A 72 80.105 -2.272 7.727 1.00 0.28 H new ATOM 0 HD13 ILE A 72 80.067 -0.528 8.080 1.00 0.28 H new ATOM 1162 N GLY A 73 80.296 -3.822 13.111 1.00 0.21 N ATOM 1163 CA GLY A 73 79.504 -4.148 14.339 1.00 0.21 C ATOM 1164 C GLY A 73 78.024 -3.831 14.097 1.00 0.20 C ATOM 1165 O GLY A 73 77.346 -3.319 14.968 1.00 0.22 O ATOM 0 H GLY A 73 80.571 -4.625 12.546 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.624 -5.201 14.592 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.875 -3.572 15.187 1.00 0.21 H new ATOM 1169 N ILE A 74 77.552 -4.037 12.891 1.00 0.20 N ATOM 1170 CA ILE A 74 76.146 -3.643 12.548 1.00 0.21 C ATOM 1171 C ILE A 74 75.185 -4.814 12.788 1.00 0.21 C ATOM 1172 O ILE A 74 75.516 -5.960 12.552 1.00 0.23 O ATOM 1173 CB ILE A 74 76.178 -3.268 11.059 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.213 -2.154 10.805 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.791 -2.784 10.624 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.881 -0.906 11.637 1.00 0.77 C ATOM 0 H ILE A 74 78.079 -4.461 12.128 1.00 0.20 H new ATOM 0 HA ILE A 74 75.795 -2.816 13.166 1.00 0.21 H new ATOM 0 HB ILE A 74 76.460 -4.148 10.482 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.210 -2.512 11.059 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.227 -1.898 9.746 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.813 -2.518 9.567 1.00 0.27 H new ATOM 0 HG22 ILE A 74 74.062 -3.579 10.783 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.509 -1.911 11.212 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.623 -0.132 11.443 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.892 -0.538 11.362 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.891 -1.162 12.697 1.00 0.77 H new ATOM 1188 N LYS A 75 73.999 -4.522 13.268 1.00 0.22 N ATOM 1189 CA LYS A 75 73.002 -5.605 13.545 1.00 0.24 C ATOM 1190 C LYS A 75 71.630 -5.258 12.923 1.00 0.24 C ATOM 1191 O LYS A 75 71.378 -4.113 12.596 1.00 0.23 O ATOM 1192 CB LYS A 75 72.913 -5.688 15.078 1.00 0.29 C ATOM 1193 CG LYS A 75 72.385 -4.366 15.663 1.00 1.19 C ATOM 1194 CD LYS A 75 73.247 -3.937 16.855 1.00 1.71 C ATOM 1195 CE LYS A 75 73.115 -4.967 17.980 1.00 2.52 C ATOM 1196 NZ LYS A 75 74.484 -5.083 18.557 1.00 3.21 N ATOM 0 H LYS A 75 73.678 -3.577 13.480 1.00 0.22 H new ATOM 0 HA LYS A 75 73.300 -6.558 13.108 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.255 -6.508 15.365 1.00 0.29 H new ATOM 0 HB3 LYS A 75 73.896 -5.908 15.493 1.00 0.29 H new ATOM 0 HG2 LYS A 75 72.397 -3.590 14.898 1.00 1.19 H new ATOM 0 HG3 LYS A 75 71.349 -4.487 15.978 1.00 1.19 H new ATOM 0 HD2 LYS A 75 74.290 -3.848 16.550 1.00 1.71 H new ATOM 0 HD3 LYS A 75 72.934 -2.955 17.209 1.00 1.71 H new ATOM 0 HE2 LYS A 75 72.396 -4.641 18.732 1.00 2.52 H new ATOM 0 HE3 LYS A 75 72.765 -5.926 17.598 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 74.475 -5.772 19.336 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 75.145 -5.401 17.820 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 74.788 -4.156 18.918 1.00 3.21 H new ATOM 1210 N PRO A 76 70.780 -6.257 12.756 1.00 0.25 N ATOM 1211 CA PRO A 76 69.448 -6.010 12.139 1.00 0.26 C ATOM 1212 C PRO A 76 68.651 -4.976 12.945 1.00 0.24 C ATOM 1213 O PRO A 76 68.585 -5.037 14.158 1.00 0.23 O ATOM 1214 CB PRO A 76 68.753 -7.374 12.171 1.00 0.29 C ATOM 1215 CG PRO A 76 69.558 -8.223 13.105 1.00 0.50 C ATOM 1216 CD PRO A 76 70.957 -7.676 13.108 1.00 0.28 C ATOM 0 HA PRO A 76 69.531 -5.608 11.129 1.00 0.26 H new ATOM 0 HB2 PRO A 76 67.724 -7.280 12.518 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.715 -7.816 11.176 1.00 0.29 H new ATOM 0 HG2 PRO A 76 69.134 -8.200 14.109 1.00 0.50 H new ATOM 0 HG3 PRO A 76 69.552 -9.264 12.781 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.429 -7.790 14.084 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.590 -8.192 12.385 1.00 0.28 H new ATOM 1224 N GLY A 77 68.001 -4.063 12.264 1.00 0.24 N ATOM 1225 CA GLY A 77 67.144 -3.055 12.963 1.00 0.24 C ATOM 1226 C GLY A 77 67.936 -1.768 13.270 1.00 0.22 C ATOM 1227 O GLY A 77 67.379 -0.814 13.783 1.00 0.24 O ATOM 0 H GLY A 77 68.028 -3.973 11.248 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.281 -2.815 12.342 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.761 -3.480 13.891 1.00 0.24 H new ATOM 1231 N GLU A 78 69.213 -1.717 12.943 1.00 0.20 N ATOM 1232 CA GLU A 78 70.009 -0.472 13.196 1.00 0.20 C ATOM 1233 C GLU A 78 70.022 0.407 11.950 1.00 0.18 C ATOM 1234 O GLU A 78 70.242 -0.075 10.854 1.00 0.18 O ATOM 1235 CB GLU A 78 71.422 -0.947 13.536 1.00 0.20 C ATOM 1236 CG GLU A 78 71.590 -1.002 15.058 1.00 0.22 C ATOM 1237 CD GLU A 78 73.062 -1.241 15.417 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.764 -1.835 14.614 1.00 1.07 O ATOM 1239 OE2 GLU A 78 73.462 -0.825 16.492 1.00 1.11 O ATOM 0 H GLU A 78 69.733 -2.482 12.514 1.00 0.20 H new ATOM 0 HA GLU A 78 69.584 0.125 14.003 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.600 -1.932 13.104 1.00 0.20 H new ATOM 0 HB3 GLU A 78 72.159 -0.271 13.102 1.00 0.20 H new ATOM 0 HG2 GLU A 78 71.246 -0.069 15.504 1.00 0.22 H new ATOM 0 HG3 GLU A 78 70.973 -1.800 15.471 1.00 0.22 H new ATOM 1246 N VAL A 79 69.714 1.672 12.104 1.00 0.19 N ATOM 1247 CA VAL A 79 69.609 2.571 10.916 1.00 0.18 C ATOM 1248 C VAL A 79 70.951 3.255 10.632 1.00 0.18 C ATOM 1249 O VAL A 79 71.546 3.868 11.497 1.00 0.19 O ATOM 1250 CB VAL A 79 68.531 3.600 11.290 1.00 0.20 C ATOM 1251 CG1 VAL A 79 68.962 4.408 12.529 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.301 4.546 10.105 1.00 0.21 C ATOM 0 H VAL A 79 69.531 2.119 13.002 1.00 0.19 H new ATOM 0 HA VAL A 79 69.350 2.025 10.009 1.00 0.18 H new ATOM 0 HB VAL A 79 67.605 3.075 11.526 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.186 5.132 12.779 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.112 3.732 13.370 1.00 0.24 H new ATOM 0 HG13 VAL A 79 69.893 4.933 12.315 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.537 5.278 10.367 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.231 5.062 9.866 1.00 0.21 H new ATOM 0 HG23 VAL A 79 67.972 3.971 9.239 1.00 0.21 H new ATOM 1262 N ILE A 80 71.402 3.174 9.409 1.00 0.17 N ATOM 1263 CA ILE A 80 72.680 3.832 9.010 1.00 0.17 C ATOM 1264 C ILE A 80 72.398 4.882 7.927 1.00 0.17 C ATOM 1265 O ILE A 80 71.423 4.784 7.202 1.00 0.17 O ATOM 1266 CB ILE A 80 73.570 2.698 8.464 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.901 2.045 7.249 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.788 1.641 9.549 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.862 1.039 6.612 1.00 0.18 C ATOM 0 H ILE A 80 70.931 2.671 8.657 1.00 0.17 H new ATOM 0 HA ILE A 80 73.165 4.347 9.839 1.00 0.17 H new ATOM 0 HB ILE A 80 74.531 3.118 8.166 1.00 0.17 H new ATOM 0 HG12 ILE A 80 71.982 1.543 7.553 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.622 2.807 6.522 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.418 0.842 9.157 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.276 2.098 10.410 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.826 1.229 9.854 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.384 0.576 5.749 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.768 1.554 6.293 1.00 0.18 H new ATOM 0 HD13 ILE A 80 74.119 0.270 7.340 1.00 0.18 H new ATOM 1281 N GLU A 81 73.291 5.819 7.757 1.00 0.18 N ATOM 1282 CA GLU A 81 73.147 6.814 6.656 1.00 0.18 C ATOM 1283 C GLU A 81 74.005 6.372 5.475 1.00 0.17 C ATOM 1284 O GLU A 81 75.116 5.904 5.654 1.00 0.19 O ATOM 1285 CB GLU A 81 73.661 8.129 7.242 1.00 0.20 C ATOM 1286 CG GLU A 81 73.449 9.261 6.234 1.00 0.21 C ATOM 1287 CD GLU A 81 74.049 10.554 6.788 1.00 0.23 C ATOM 1288 OE1 GLU A 81 75.076 10.475 7.443 1.00 1.14 O ATOM 1289 OE2 GLU A 81 73.471 11.602 6.551 1.00 1.04 O ATOM 0 H GLU A 81 74.121 5.939 8.338 1.00 0.18 H new ATOM 0 HA GLU A 81 72.122 6.914 6.298 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.137 8.354 8.171 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.720 8.040 7.486 1.00 0.20 H new ATOM 0 HG2 GLU A 81 73.917 9.008 5.283 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.385 9.395 6.040 1.00 0.21 H new ATOM 1296 N VAL A 82 73.425 6.341 4.305 1.00 0.16 N ATOM 1297 CA VAL A 82 74.116 5.725 3.136 1.00 0.17 C ATOM 1298 C VAL A 82 74.411 6.787 2.073 1.00 0.16 C ATOM 1299 O VAL A 82 73.538 7.526 1.659 1.00 0.17 O ATOM 1300 CB VAL A 82 73.129 4.674 2.611 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.710 3.984 1.377 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.882 3.624 3.697 1.00 0.19 C ATOM 0 H VAL A 82 72.498 6.718 4.108 1.00 0.16 H new ATOM 0 HA VAL A 82 75.076 5.282 3.401 1.00 0.17 H new ATOM 0 HB VAL A 82 72.193 5.165 2.346 1.00 0.18 H new ATOM 0 HG11 VAL A 82 73.004 3.239 1.010 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.893 4.725 0.599 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.648 3.495 1.641 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.181 2.876 3.327 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.824 3.141 3.957 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.465 4.106 4.581 1.00 0.19 H new ATOM 1312 N LEU A 83 75.635 6.839 1.628 1.00 0.16 N ATOM 1313 CA LEU A 83 76.029 7.823 0.575 1.00 0.17 C ATOM 1314 C LEU A 83 76.449 7.067 -0.687 1.00 0.15 C ATOM 1315 O LEU A 83 77.374 6.280 -0.644 1.00 0.12 O ATOM 1316 CB LEU A 83 77.255 8.574 1.135 1.00 0.21 C ATOM 1317 CG LEU A 83 76.998 9.089 2.559 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.250 9.801 3.072 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.818 10.059 2.545 1.00 0.20 C ATOM 0 H LEU A 83 76.390 6.235 1.952 1.00 0.16 H new ATOM 0 HA LEU A 83 75.211 8.500 0.328 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.120 7.910 1.138 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.499 9.412 0.482 1.00 0.21 H new ATOM 0 HG LEU A 83 76.764 8.252 3.216 1.00 0.20 H new ATOM 0 HD11 LEU A 83 78.071 10.168 4.083 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.087 9.103 3.082 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.485 10.640 2.417 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.635 10.425 3.556 1.00 0.20 H new ATOM 0 HD22 LEU A 83 76.046 10.900 1.891 1.00 0.20 H new ATOM 0 HD23 LEU A 83 74.929 9.545 2.179 1.00 0.20 H new ATOM 1331 N LEU A 84 75.896 7.409 -1.825 1.00 0.16 N ATOM 1332 CA LEU A 84 76.408 6.826 -3.106 1.00 0.15 C ATOM 1333 C LEU A 84 77.673 7.567 -3.535 1.00 0.15 C ATOM 1334 O LEU A 84 77.787 8.762 -3.352 1.00 0.17 O ATOM 1335 CB LEU A 84 75.290 7.020 -4.125 1.00 0.18 C ATOM 1336 CG LEU A 84 74.325 5.832 -4.043 1.00 0.21 C ATOM 1337 CD1 LEU A 84 72.910 6.265 -4.466 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.831 4.721 -4.970 1.00 0.28 C ATOM 0 H LEU A 84 75.118 8.061 -1.923 1.00 0.16 H new ATOM 0 HA LEU A 84 76.668 5.772 -3.007 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.758 7.951 -3.927 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.706 7.098 -5.129 1.00 0.18 H new ATOM 0 HG LEU A 84 74.281 5.467 -3.017 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.234 5.412 -4.403 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.558 7.056 -3.804 1.00 0.20 H new ATOM 0 HD13 LEU A 84 72.934 6.634 -5.491 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.153 3.869 -4.921 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.873 5.093 -5.994 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.827 4.410 -4.655 1.00 0.28 H new ATOM 1350 N LEU A 85 78.658 6.846 -4.008 1.00 0.14 N ATOM 1351 CA LEU A 85 79.968 7.481 -4.342 1.00 0.17 C ATOM 1352 C LEU A 85 80.191 7.513 -5.856 1.00 0.18 C ATOM 1353 O LEU A 85 80.877 8.386 -6.361 1.00 0.24 O ATOM 1354 CB LEU A 85 81.015 6.605 -3.654 1.00 0.22 C ATOM 1355 CG LEU A 85 81.269 7.134 -2.241 1.00 0.89 C ATOM 1356 CD1 LEU A 85 81.935 6.046 -1.399 1.00 1.13 C ATOM 1357 CD2 LEU A 85 82.186 8.358 -2.313 1.00 1.60 C ATOM 0 H LEU A 85 78.610 5.841 -4.178 1.00 0.14 H new ATOM 0 HA LEU A 85 80.017 8.517 -4.008 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.670 5.572 -3.611 1.00 0.22 H new ATOM 0 HB3 LEU A 85 81.942 6.608 -4.228 1.00 0.22 H new ATOM 0 HG LEU A 85 80.321 7.416 -1.783 1.00 0.89 H new ATOM 0 HD11 LEU A 85 82.115 6.424 -0.393 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.282 5.175 -1.348 1.00 1.13 H new ATOM 0 HD13 LEU A 85 82.883 5.762 -1.855 1.00 1.13 H new ATOM 0 HD21 LEU A 85 82.368 8.736 -1.307 1.00 1.60 H new ATOM 0 HD22 LEU A 85 83.134 8.076 -2.772 1.00 1.60 H new ATOM 0 HD23 LEU A 85 81.710 9.134 -2.912 1.00 1.60 H new ATOM 1369 N GLY A 86 79.672 6.542 -6.575 1.00 0.16 N ATOM 1370 CA GLY A 86 79.923 6.497 -8.056 1.00 0.20 C ATOM 1371 C GLY A 86 79.006 5.479 -8.738 1.00 0.17 C ATOM 1372 O GLY A 86 78.146 4.892 -8.114 1.00 0.15 O ATOM 0 H GLY A 86 79.093 5.787 -6.207 1.00 0.16 H new ATOM 0 HA2 GLY A 86 79.759 7.485 -8.486 1.00 0.20 H new ATOM 0 HA3 GLY A 86 80.965 6.237 -8.244 1.00 0.20 H new ATOM 1376 N HIS A 87 79.163 5.303 -10.032 1.00 0.20 N ATOM 1377 CA HIS A 87 78.271 4.368 -10.792 1.00 0.19 C ATOM 1378 C HIS A 87 79.062 3.636 -11.890 1.00 0.19 C ATOM 1379 O HIS A 87 80.009 4.170 -12.439 1.00 0.24 O ATOM 1380 CB HIS A 87 77.187 5.265 -11.414 1.00 0.28 C ATOM 1381 CG HIS A 87 77.811 6.298 -12.322 1.00 0.76 C ATOM 1382 ND1 HIS A 87 77.775 6.185 -13.703 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.487 7.463 -12.058 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.413 7.255 -14.212 1.00 1.57 C ATOM 1385 NE2 HIS A 87 78.866 8.066 -13.253 1.00 1.89 N ATOM 0 H HIS A 87 79.874 5.769 -10.595 1.00 0.20 H new ATOM 0 HA HIS A 87 77.845 3.598 -10.149 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.482 4.655 -11.978 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.620 5.760 -10.626 1.00 0.28 H new ATOM 0 HD2 HIS A 87 78.693 7.852 -11.072 1.00 1.72 H new ATOM 0 HE1 HIS A 87 78.543 7.436 -15.269 1.00 1.57 H new ATOM 0 HE2 HIS A 87 79.379 8.939 -13.371 1.00 1.89 H new ATOM 1393 N TYR A 88 78.636 2.449 -12.258 1.00 0.16 N ATOM 1394 CA TYR A 88 79.306 1.711 -13.371 1.00 0.19 C ATOM 1395 C TYR A 88 78.262 1.138 -14.335 1.00 0.21 C ATOM 1396 O TYR A 88 77.242 0.612 -13.919 1.00 0.17 O ATOM 1397 CB TYR A 88 80.088 0.588 -12.692 1.00 0.21 C ATOM 1398 CG TYR A 88 81.244 1.179 -11.921 1.00 0.32 C ATOM 1399 CD1 TYR A 88 82.514 1.363 -12.564 1.00 0.66 C ATOM 1400 CD2 TYR A 88 81.074 1.558 -10.547 1.00 0.59 C ATOM 1401 CE1 TYR A 88 83.613 1.926 -11.834 1.00 0.77 C ATOM 1402 CE2 TYR A 88 82.174 2.121 -9.817 1.00 0.70 C ATOM 1403 CZ TYR A 88 83.443 2.305 -10.460 1.00 0.65 C ATOM 1404 OH TYR A 88 84.501 2.847 -9.759 1.00 0.80 O ATOM 0 H TYR A 88 77.849 1.960 -11.831 1.00 0.16 H new ATOM 0 HA TYR A 88 79.956 2.358 -13.960 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.436 0.030 -12.020 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.456 -0.117 -13.438 1.00 0.21 H new ATOM 0 HD1 TYR A 88 82.642 1.078 -13.598 1.00 0.66 H new ATOM 0 HD2 TYR A 88 80.119 1.420 -10.063 1.00 0.59 H new ATOM 0 HE1 TYR A 88 84.568 2.065 -12.318 1.00 0.77 H new ATOM 0 HE2 TYR A 88 82.046 2.406 -8.783 1.00 0.70 H new ATOM 0 HH TYR A 88 84.199 3.114 -8.866 1.00 0.80 H new