USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=12 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= -1.32 K(o=-1.3,f=-3!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -9:sc= -1.94 USER MOD Single : A 12 HIS : no HD1:sc= -0.489 X(o=-0.49,f=-0.21) USER MOD Single : A 23 THR OG1 : rot -90:sc= -1.13 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -170:sc= -0.544 USER MOD Single : A 31 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.7!) USER MOD Single : A 38 LYS NZ :NH3+ -144:sc= 0.571 (180deg=0.0943) USER MOD Single : A 41 LYS NZ :NH3+ 158:sc= -0.211 (180deg=-1.6) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -126:sc= -0.0233 (180deg=-0.437) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.77 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 180:sc= 0 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= -1.02 K(o=-1,f=-0.13) USER MOD Single : A 88 TYR OH : rot 174:sc= 0.0692 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 78.680 13.024 -3.357 1.00 0.40 N ATOM 33 CA VAL A 3 77.710 11.908 -3.207 1.00 0.33 C ATOM 34 C VAL A 3 76.651 11.994 -4.317 1.00 0.31 C ATOM 35 O VAL A 3 76.132 13.060 -4.601 1.00 0.37 O ATOM 36 CB VAL A 3 77.120 12.094 -1.786 1.00 0.36 C ATOM 37 CG1 VAL A 3 76.019 13.170 -1.744 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.542 10.766 -1.297 1.00 0.30 C ATOM 0 HA VAL A 3 78.156 10.918 -3.307 1.00 0.33 H new ATOM 0 HB VAL A 3 77.931 12.424 -1.137 1.00 0.36 H new ATOM 0 HG11 VAL A 3 75.639 13.262 -0.727 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.432 14.126 -2.064 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.206 12.885 -2.411 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.127 10.896 -0.298 1.00 0.30 H new ATOM 0 HG22 VAL A 3 75.755 10.439 -1.977 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.331 10.015 -1.267 1.00 0.30 H new ATOM 48 N LEU A 4 76.337 10.890 -4.936 1.00 0.26 N ATOM 49 CA LEU A 4 75.316 10.904 -6.028 1.00 0.28 C ATOM 50 C LEU A 4 73.898 10.856 -5.436 1.00 0.28 C ATOM 51 O LEU A 4 72.949 11.290 -6.061 1.00 0.30 O ATOM 52 CB LEU A 4 75.607 9.657 -6.886 1.00 0.27 C ATOM 53 CG LEU A 4 77.097 9.595 -7.303 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.298 8.449 -8.295 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.540 10.915 -7.961 1.00 0.37 C ATOM 0 H LEU A 4 76.742 9.976 -4.734 1.00 0.26 H new ATOM 0 HA LEU A 4 75.370 11.814 -6.626 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.346 8.759 -6.326 1.00 0.27 H new ATOM 0 HB3 LEU A 4 74.978 9.671 -7.776 1.00 0.27 H new ATOM 0 HG LEU A 4 77.699 9.431 -6.409 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.346 8.403 -8.590 1.00 0.36 H new ATOM 0 HD12 LEU A 4 77.011 7.508 -7.826 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.680 8.618 -9.177 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.590 10.846 -8.245 1.00 0.37 H new ATOM 0 HD22 LEU A 4 76.936 11.100 -8.849 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.408 11.735 -7.256 1.00 0.37 H new ATOM 67 N ALA A 5 73.763 10.411 -4.205 1.00 0.25 N ATOM 68 CA ALA A 5 72.429 10.423 -3.527 1.00 0.25 C ATOM 69 C ALA A 5 72.606 10.048 -2.055 1.00 0.23 C ATOM 70 O ALA A 5 73.586 9.427 -1.686 1.00 0.25 O ATOM 71 CB ALA A 5 71.588 9.371 -4.253 1.00 0.26 C ATOM 0 H ALA A 5 74.526 10.038 -3.640 1.00 0.25 H new ATOM 0 HA ALA A 5 71.953 11.403 -3.563 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.595 9.327 -3.806 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.500 9.639 -5.306 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.069 8.397 -4.165 1.00 0.26 H new ATOM 77 N LYS A 6 71.706 10.479 -1.207 1.00 0.22 N ATOM 78 CA LYS A 6 71.858 10.216 0.257 1.00 0.22 C ATOM 79 C LYS A 6 70.530 9.737 0.850 1.00 0.21 C ATOM 80 O LYS A 6 69.514 10.396 0.715 1.00 0.23 O ATOM 81 CB LYS A 6 72.253 11.570 0.844 1.00 0.24 C ATOM 82 CG LYS A 6 72.578 11.417 2.329 1.00 1.40 C ATOM 83 CD LYS A 6 73.016 12.767 2.894 1.00 1.50 C ATOM 84 CE LYS A 6 73.878 12.542 4.137 1.00 1.79 C ATOM 85 NZ LYS A 6 73.865 13.847 4.856 1.00 2.30 N ATOM 0 H LYS A 6 70.870 11.003 -1.466 1.00 0.22 H new ATOM 0 HA LYS A 6 72.593 9.440 0.472 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.117 11.969 0.313 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.440 12.285 0.712 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.704 11.051 2.868 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.369 10.679 2.465 1.00 1.40 H new ATOM 0 HD2 LYS A 6 73.579 13.322 2.144 1.00 1.50 H new ATOM 0 HD3 LYS A 6 72.143 13.368 3.147 1.00 1.50 H new ATOM 0 HE2 LYS A 6 73.473 11.744 4.759 1.00 1.79 H new ATOM 0 HE3 LYS A 6 74.893 12.251 3.866 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 74.436 13.772 5.722 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 74.263 14.586 4.242 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 72.887 14.095 5.107 1.00 2.30 H new ATOM 99 N PHE A 7 70.528 8.596 1.504 1.00 0.19 N ATOM 100 CA PHE A 7 69.261 8.078 2.106 1.00 0.19 C ATOM 101 C PHE A 7 69.555 7.228 3.350 1.00 0.17 C ATOM 102 O PHE A 7 70.676 6.828 3.583 1.00 0.16 O ATOM 103 CB PHE A 7 68.607 7.250 0.990 1.00 0.20 C ATOM 104 CG PHE A 7 69.479 6.071 0.610 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.684 6.277 -0.141 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.093 4.743 0.996 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.505 5.156 -0.503 1.00 0.19 C ATOM 108 CE2 PHE A 7 69.913 3.623 0.632 1.00 0.20 C ATOM 109 CZ PHE A 7 71.118 3.829 -0.117 1.00 0.20 C ATOM 0 H PHE A 7 71.348 8.005 1.645 1.00 0.19 H new ATOM 0 HA PHE A 7 68.604 8.878 2.448 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.631 6.894 1.320 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.438 7.879 0.116 1.00 0.20 H new ATOM 0 HD1 PHE A 7 70.974 7.275 -0.434 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.185 4.587 1.560 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.414 5.311 -1.066 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.622 2.624 0.922 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.735 2.986 -0.391 1.00 0.20 H new ATOM 119 N HIS A 8 68.558 6.999 4.172 1.00 0.18 N ATOM 120 CA HIS A 8 68.775 6.229 5.437 1.00 0.18 C ATOM 121 C HIS A 8 68.025 4.894 5.380 1.00 0.17 C ATOM 122 O HIS A 8 66.890 4.828 4.946 1.00 0.18 O ATOM 123 CB HIS A 8 68.196 7.115 6.541 1.00 0.20 C ATOM 124 CG HIS A 8 68.975 8.400 6.617 1.00 0.77 C ATOM 125 ND1 HIS A 8 68.628 9.519 5.878 1.00 1.41 N ATOM 126 CD2 HIS A 8 70.084 8.759 7.343 1.00 1.61 C ATOM 127 CE1 HIS A 8 69.513 10.490 6.172 1.00 1.81 C ATOM 128 NE2 HIS A 8 70.421 10.080 7.061 1.00 1.99 N ATOM 0 H HIS A 8 67.600 7.314 4.020 1.00 0.18 H new ATOM 0 HA HIS A 8 69.827 5.998 5.604 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.146 7.326 6.339 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.238 6.595 7.498 1.00 0.20 H new ATOM 0 HD2 HIS A 8 70.614 8.115 8.029 1.00 1.61 H new ATOM 0 HE1 HIS A 8 69.491 11.480 5.741 1.00 1.81 H new ATOM 0 HE2 HIS A 8 71.195 10.619 7.450 1.00 1.99 H new ATOM 136 N THR A 9 68.645 3.841 5.849 1.00 0.16 N ATOM 137 CA THR A 9 67.975 2.504 5.870 1.00 0.17 C ATOM 138 C THR A 9 68.528 1.665 7.033 1.00 0.16 C ATOM 139 O THR A 9 69.602 1.939 7.532 1.00 0.15 O ATOM 140 CB THR A 9 68.286 1.870 4.498 1.00 0.17 C ATOM 141 OG1 THR A 9 67.526 0.681 4.349 1.00 0.18 O ATOM 142 CG2 THR A 9 69.780 1.541 4.372 1.00 0.17 C ATOM 0 H THR A 9 69.595 3.850 6.221 1.00 0.16 H new ATOM 0 HA THR A 9 66.898 2.571 6.026 1.00 0.17 H new ATOM 0 HB THR A 9 68.023 2.584 3.717 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.719 0.276 3.478 1.00 0.18 H new ATOM 0 HG21 THR A 9 69.973 1.095 3.396 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.364 2.456 4.475 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.065 0.838 5.155 1.00 0.17 H new ATOM 150 N THR A 10 67.833 0.625 7.429 1.00 0.17 N ATOM 151 CA THR A 10 68.362 -0.256 8.518 1.00 0.17 C ATOM 152 C THR A 10 68.770 -1.620 7.939 1.00 0.17 C ATOM 153 O THR A 10 68.348 -1.995 6.860 1.00 0.17 O ATOM 154 CB THR A 10 67.223 -0.365 9.566 1.00 0.17 C ATOM 155 OG1 THR A 10 67.755 -0.850 10.786 1.00 0.17 O ATOM 156 CG2 THR A 10 66.108 -1.316 9.112 1.00 0.17 C ATOM 0 H THR A 10 66.928 0.349 7.048 1.00 0.17 H new ATOM 0 HA THR A 10 69.260 0.147 8.986 1.00 0.17 H new ATOM 0 HB THR A 10 66.796 0.630 9.689 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.680 -1.141 10.647 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.333 -1.360 9.878 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.677 -0.952 8.180 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.521 -2.313 8.956 1.00 0.17 H new ATOM 164 N VAL A 11 69.635 -2.324 8.622 1.00 0.17 N ATOM 165 CA VAL A 11 70.139 -3.628 8.089 1.00 0.17 C ATOM 166 C VAL A 11 69.108 -4.733 8.330 1.00 0.17 C ATOM 167 O VAL A 11 68.612 -4.898 9.425 1.00 0.17 O ATOM 168 CB VAL A 11 71.431 -3.920 8.867 1.00 0.21 C ATOM 169 CG1 VAL A 11 72.049 -5.231 8.362 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.431 -2.774 8.663 1.00 0.49 C ATOM 0 H VAL A 11 70.016 -2.053 9.528 1.00 0.17 H new ATOM 0 HA VAL A 11 70.318 -3.585 7.015 1.00 0.17 H new ATOM 0 HB VAL A 11 71.197 -4.011 9.928 1.00 0.21 H new ATOM 0 HG11 VAL A 11 72.966 -5.438 8.914 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.343 -6.048 8.512 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.278 -5.140 7.300 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.345 -2.986 9.217 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.663 -2.678 7.602 1.00 0.49 H new ATOM 0 HG23 VAL A 11 71.996 -1.842 9.025 1.00 0.49 H new ATOM 180 N HIS A 12 68.879 -5.549 7.337 1.00 0.21 N ATOM 181 CA HIS A 12 67.991 -6.736 7.514 1.00 0.25 C ATOM 182 C HIS A 12 68.807 -8.016 7.376 1.00 0.25 C ATOM 183 O HIS A 12 69.990 -7.984 7.092 1.00 0.25 O ATOM 184 CB HIS A 12 66.937 -6.656 6.414 1.00 0.26 C ATOM 185 CG HIS A 12 65.810 -5.774 6.873 1.00 0.31 C ATOM 186 ND1 HIS A 12 65.992 -4.431 7.159 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.482 -6.032 7.110 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.804 -3.934 7.550 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.849 -4.868 7.538 1.00 0.56 N ATOM 0 H HIS A 12 69.272 -5.444 6.402 1.00 0.21 H new ATOM 0 HA HIS A 12 67.526 -6.744 8.500 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.377 -6.258 5.500 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.563 -7.652 6.179 1.00 0.26 H new ATOM 0 HD2 HIS A 12 64.002 -6.991 6.984 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.642 -2.906 7.838 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.867 -4.753 7.789 1.00 0.56 H new ATOM 197 N ARG A 13 68.204 -9.139 7.667 1.00 0.29 N ATOM 198 CA ARG A 13 68.944 -10.449 7.657 1.00 0.32 C ATOM 199 C ARG A 13 69.808 -10.615 6.392 1.00 0.29 C ATOM 200 O ARG A 13 69.568 -9.992 5.378 1.00 0.24 O ATOM 201 CB ARG A 13 67.840 -11.506 7.677 1.00 0.36 C ATOM 202 CG ARG A 13 67.149 -11.502 9.043 1.00 0.72 C ATOM 203 CD ARG A 13 66.127 -12.641 9.108 1.00 1.16 C ATOM 204 NE ARG A 13 65.148 -12.353 8.011 1.00 1.81 N ATOM 205 CZ ARG A 13 64.197 -11.444 8.147 1.00 2.39 C ATOM 206 NH1 ARG A 13 64.056 -10.743 9.251 1.00 2.96 N ATOM 207 NH2 ARG A 13 63.373 -11.238 7.157 1.00 2.76 N ATOM 0 H ARG A 13 67.217 -9.211 7.915 1.00 0.29 H new ATOM 0 HA ARG A 13 69.631 -10.524 8.500 1.00 0.32 H new ATOM 0 HB2 ARG A 13 67.114 -11.302 6.890 1.00 0.36 H new ATOM 0 HB3 ARG A 13 68.262 -12.491 7.474 1.00 0.36 H new ATOM 0 HG2 ARG A 13 67.888 -11.618 9.836 1.00 0.72 H new ATOM 0 HG3 ARG A 13 66.653 -10.546 9.208 1.00 0.72 H new ATOM 0 HD2 ARG A 13 66.607 -13.609 8.964 1.00 1.16 H new ATOM 0 HD3 ARG A 13 65.633 -12.672 10.079 1.00 1.16 H new ATOM 0 HE ARG A 13 65.217 -12.872 7.136 1.00 1.81 H new ATOM 0 HH11 ARG A 13 64.691 -10.893 10.035 1.00 2.96 H new ATOM 0 HH12 ARG A 13 63.312 -10.049 9.323 1.00 2.96 H new ATOM 0 HH21 ARG A 13 63.468 -11.774 6.295 1.00 2.76 H new ATOM 0 HH22 ARG A 13 62.634 -10.541 7.245 1.00 2.76 H new ATOM 221 N ILE A 14 70.873 -11.380 6.495 1.00 0.34 N ATOM 222 CA ILE A 14 71.856 -11.549 5.360 1.00 0.34 C ATOM 223 C ILE A 14 72.548 -10.224 4.972 1.00 0.28 C ATOM 224 O ILE A 14 73.264 -10.182 3.987 1.00 0.29 O ATOM 225 CB ILE A 14 71.063 -12.096 4.157 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.300 -13.363 4.556 1.00 0.31 C ATOM 227 CG2 ILE A 14 72.033 -12.439 3.025 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.292 -13.709 3.459 1.00 0.36 C ATOM 0 H ILE A 14 71.111 -11.908 7.335 1.00 0.34 H new ATOM 0 HA ILE A 14 72.649 -12.229 5.670 1.00 0.34 H new ATOM 0 HB ILE A 14 70.353 -11.336 3.829 1.00 0.36 H new ATOM 0 HG12 ILE A 14 70.995 -14.190 4.702 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.785 -13.208 5.504 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.475 -12.826 2.173 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.575 -11.542 2.726 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.741 -13.194 3.368 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.746 -14.610 3.738 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.591 -12.884 3.336 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.820 -13.880 2.521 1.00 0.36 H new ATOM 240 N GLY A 15 72.363 -9.155 5.720 1.00 0.24 N ATOM 241 CA GLY A 15 73.036 -7.864 5.368 1.00 0.20 C ATOM 242 C GLY A 15 72.298 -7.176 4.208 1.00 0.17 C ATOM 243 O GLY A 15 72.859 -6.328 3.537 1.00 0.15 O ATOM 0 H GLY A 15 71.777 -9.124 6.554 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.054 -7.207 6.237 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.073 -8.051 5.088 1.00 0.20 H new ATOM 247 N ARG A 16 71.080 -7.581 3.918 1.00 0.18 N ATOM 248 CA ARG A 16 70.346 -7.002 2.751 1.00 0.18 C ATOM 249 C ARG A 16 69.662 -5.691 3.149 1.00 0.19 C ATOM 250 O ARG A 16 69.049 -5.602 4.196 1.00 0.24 O ATOM 251 CB ARG A 16 69.309 -8.069 2.378 1.00 0.26 C ATOM 252 CG ARG A 16 68.480 -7.609 1.177 1.00 0.26 C ATOM 253 CD ARG A 16 67.377 -8.638 0.909 1.00 0.76 C ATOM 254 NE ARG A 16 66.664 -8.147 -0.313 1.00 0.91 N ATOM 255 CZ ARG A 16 65.942 -8.957 -1.070 1.00 1.31 C ATOM 256 NH1 ARG A 16 65.814 -10.238 -0.796 1.00 1.96 N ATOM 257 NH2 ARG A 16 65.337 -8.472 -2.118 1.00 1.41 N ATOM 0 H ARG A 16 70.565 -8.289 4.442 1.00 0.18 H new ATOM 0 HA ARG A 16 71.007 -6.765 1.917 1.00 0.18 H new ATOM 0 HB2 ARG A 16 69.811 -9.007 2.143 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.654 -8.262 3.228 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.042 -6.630 1.374 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.117 -7.502 0.299 1.00 0.26 H new ATOM 0 HD2 ARG A 16 67.797 -9.631 0.747 1.00 0.76 H new ATOM 0 HD3 ARG A 16 66.696 -8.714 1.757 1.00 0.76 H new ATOM 0 HE ARG A 16 66.737 -7.162 -0.568 1.00 0.91 H new ATOM 0 HH11 ARG A 16 66.279 -10.634 0.021 1.00 1.96 H new ATOM 0 HH12 ARG A 16 65.250 -10.835 -1.401 1.00 1.96 H new ATOM 0 HH21 ARG A 16 65.424 -7.481 -2.344 1.00 1.41 H new ATOM 0 HH22 ARG A 16 64.777 -9.083 -2.712 1.00 1.41 H new ATOM 271 N ILE A 17 69.657 -4.724 2.265 1.00 0.18 N ATOM 272 CA ILE A 17 68.876 -3.473 2.510 1.00 0.21 C ATOM 273 C ILE A 17 68.086 -3.107 1.249 1.00 0.19 C ATOM 274 O ILE A 17 68.505 -3.413 0.149 1.00 0.15 O ATOM 275 CB ILE A 17 69.915 -2.391 2.853 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.883 -2.189 1.678 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.706 -2.815 4.092 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.687 -0.900 1.884 1.00 0.30 C ATOM 0 H ILE A 17 70.163 -4.748 1.380 1.00 0.18 H new ATOM 0 HA ILE A 17 68.154 -3.584 3.319 1.00 0.21 H new ATOM 0 HB ILE A 17 69.394 -1.454 3.050 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.558 -3.041 1.600 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.327 -2.136 0.742 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.442 -2.048 4.334 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.024 -2.942 4.933 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.216 -3.757 3.893 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.372 -0.761 1.048 1.00 0.30 H new ATOM 0 HD12 ILE A 17 71.006 -0.051 1.940 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.256 -0.970 2.811 1.00 0.30 H new ATOM 290 N ILE A 18 66.995 -2.395 1.397 1.00 0.23 N ATOM 291 CA ILE A 18 66.230 -1.936 0.194 1.00 0.20 C ATOM 292 C ILE A 18 66.212 -0.411 0.142 1.00 0.20 C ATOM 293 O ILE A 18 65.798 0.242 1.084 1.00 0.22 O ATOM 294 CB ILE A 18 64.803 -2.472 0.366 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.812 -3.999 0.578 1.00 0.25 C ATOM 296 CG2 ILE A 18 63.986 -2.133 -0.887 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.503 -4.704 -0.597 1.00 0.24 C ATOM 0 H ILE A 18 66.602 -2.113 2.295 1.00 0.23 H new ATOM 0 HA ILE A 18 66.682 -2.296 -0.730 1.00 0.20 H new ATOM 0 HB ILE A 18 64.356 -2.006 1.244 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.328 -4.239 1.508 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.790 -4.364 0.677 1.00 0.25 H new ATOM 0 HG21 ILE A 18 62.970 -2.511 -0.772 1.00 0.22 H new ATOM 0 HG22 ILE A 18 63.958 -1.052 -1.021 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.449 -2.595 -1.759 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.499 -5.781 -0.428 1.00 0.24 H new ATOM 0 HD12 ILE A 18 64.970 -4.479 -1.521 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.532 -4.353 -0.678 1.00 0.24 H new ATOM 309 N ILE A 19 66.583 0.155 -0.980 1.00 0.17 N ATOM 310 CA ILE A 19 66.505 1.641 -1.130 1.00 0.17 C ATOM 311 C ILE A 19 65.059 2.045 -1.449 1.00 0.19 C ATOM 312 O ILE A 19 64.404 1.378 -2.222 1.00 0.17 O ATOM 313 CB ILE A 19 67.444 1.990 -2.296 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.867 1.495 -1.950 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.441 3.514 -2.495 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.884 1.934 -3.009 1.00 0.23 C ATOM 0 H ILE A 19 66.935 -0.346 -1.796 1.00 0.17 H new ATOM 0 HA ILE A 19 66.798 2.169 -0.222 1.00 0.17 H new ATOM 0 HB ILE A 19 67.112 1.510 -3.217 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.163 1.884 -0.976 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.867 0.408 -1.872 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.104 3.775 -3.320 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.429 3.849 -2.723 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.788 4.001 -1.583 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.874 1.570 -2.736 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.601 1.523 -3.978 1.00 0.23 H new ATOM 0 HD13 ILE A 19 69.901 3.022 -3.068 1.00 0.23 H new ATOM 328 N PRO A 20 64.624 3.178 -0.932 1.00 0.24 N ATOM 329 CA PRO A 20 63.274 3.692 -1.295 1.00 0.28 C ATOM 330 C PRO A 20 63.226 4.003 -2.783 1.00 0.26 C ATOM 331 O PRO A 20 64.201 4.447 -3.360 1.00 0.25 O ATOM 332 CB PRO A 20 63.148 4.967 -0.471 1.00 0.34 C ATOM 333 CG PRO A 20 64.565 5.372 -0.240 1.00 0.35 C ATOM 334 CD PRO A 20 65.299 4.089 0.010 1.00 0.29 C ATOM 0 HA PRO A 20 62.469 2.984 -1.098 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.592 5.737 -1.006 1.00 0.34 H new ATOM 0 HB3 PRO A 20 62.623 4.788 0.468 1.00 0.34 H new ATOM 0 HG2 PRO A 20 64.971 5.897 -1.104 1.00 0.35 H new ATOM 0 HG3 PRO A 20 64.649 6.047 0.612 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.365 4.179 -0.198 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.203 3.756 1.043 1.00 0.29 H new ATOM 342 N ALA A 21 62.108 3.755 -3.409 1.00 0.28 N ATOM 343 CA ALA A 21 61.992 3.999 -4.882 1.00 0.29 C ATOM 344 C ALA A 21 62.310 5.464 -5.210 1.00 0.31 C ATOM 345 O ALA A 21 62.740 5.783 -6.303 1.00 0.32 O ATOM 346 CB ALA A 21 60.538 3.678 -5.237 1.00 0.33 C ATOM 0 H ALA A 21 61.264 3.392 -2.965 1.00 0.28 H new ATOM 0 HA ALA A 21 62.693 3.386 -5.449 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.381 3.835 -6.304 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.324 2.639 -4.988 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.873 4.331 -4.672 1.00 0.33 H new ATOM 352 N GLY A 22 62.100 6.353 -4.267 1.00 0.34 N ATOM 353 CA GLY A 22 62.384 7.801 -4.521 1.00 0.38 C ATOM 354 C GLY A 22 63.880 8.004 -4.760 1.00 0.37 C ATOM 355 O GLY A 22 64.278 8.718 -5.666 1.00 0.39 O ATOM 0 H GLY A 22 61.745 6.138 -3.335 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.819 8.145 -5.387 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.058 8.399 -3.670 1.00 0.38 H new ATOM 359 N THR A 23 64.711 7.389 -3.954 1.00 0.34 N ATOM 360 CA THR A 23 66.188 7.558 -4.127 1.00 0.34 C ATOM 361 C THR A 23 66.653 6.856 -5.404 1.00 0.30 C ATOM 362 O THR A 23 67.462 7.383 -6.145 1.00 0.32 O ATOM 363 CB THR A 23 66.828 6.918 -2.893 1.00 0.34 C ATOM 364 OG1 THR A 23 66.314 7.539 -1.723 1.00 0.39 O ATOM 365 CG2 THR A 23 68.347 7.107 -2.945 1.00 0.37 C ATOM 0 H THR A 23 64.432 6.779 -3.186 1.00 0.34 H new ATOM 0 HA THR A 23 66.468 8.607 -4.219 1.00 0.34 H new ATOM 0 HB THR A 23 66.597 5.853 -2.875 1.00 0.34 H new ATOM 0 HG1 THR A 23 66.879 8.303 -1.483 1.00 0.39 H new ATOM 0 HG21 THR A 23 68.801 6.651 -2.065 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.742 6.634 -3.844 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.581 8.171 -2.963 1.00 0.37 H new ATOM 373 N ARG A 24 66.095 5.702 -5.711 1.00 0.26 N ATOM 374 CA ARG A 24 66.458 5.003 -7.004 1.00 0.25 C ATOM 375 C ARG A 24 66.204 5.948 -8.183 1.00 0.28 C ATOM 376 O ARG A 24 66.952 5.988 -9.138 1.00 0.29 O ATOM 377 CB ARG A 24 65.535 3.778 -7.159 1.00 0.25 C ATOM 378 CG ARG A 24 65.410 2.978 -5.859 1.00 0.23 C ATOM 379 CD ARG A 24 65.061 1.528 -6.187 1.00 0.24 C ATOM 380 NE ARG A 24 64.252 1.055 -5.021 1.00 0.27 N ATOM 381 CZ ARG A 24 63.386 0.062 -5.129 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.204 -0.589 -6.258 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.698 -0.285 -4.078 1.00 0.39 N ATOM 0 H ARG A 24 65.411 5.215 -5.132 1.00 0.26 H new ATOM 0 HA ARG A 24 67.507 4.707 -6.987 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.546 4.109 -7.476 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.923 3.131 -7.946 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.345 3.021 -5.301 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.639 3.414 -5.223 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.494 1.458 -7.116 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.960 0.924 -6.316 1.00 0.24 H new ATOM 0 HE ARG A 24 64.372 1.512 -4.117 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.740 -0.332 -7.087 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.527 -1.350 -6.304 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.833 0.207 -3.195 1.00 0.39 H new ATOM 0 HH22 ARG A 24 62.024 -1.048 -4.139 1.00 0.39 H new ATOM 397 N LYS A 25 65.113 6.669 -8.124 1.00 0.32 N ATOM 398 CA LYS A 25 64.739 7.585 -9.244 1.00 0.37 C ATOM 399 C LYS A 25 65.773 8.702 -9.377 1.00 0.38 C ATOM 400 O LYS A 25 66.278 8.967 -10.450 1.00 0.40 O ATOM 401 CB LYS A 25 63.373 8.159 -8.845 1.00 0.42 C ATOM 402 CG LYS A 25 62.853 9.080 -9.947 1.00 1.08 C ATOM 403 CD LYS A 25 61.508 9.674 -9.524 1.00 1.68 C ATOM 404 CE LYS A 25 60.912 10.471 -10.687 1.00 2.42 C ATOM 405 NZ LYS A 25 59.964 9.534 -11.350 1.00 2.97 N ATOM 0 H LYS A 25 64.460 6.662 -7.341 1.00 0.32 H new ATOM 0 HA LYS A 25 64.701 7.072 -10.205 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.665 7.349 -8.672 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.460 8.711 -7.909 1.00 0.42 H new ATOM 0 HG2 LYS A 25 63.571 9.878 -10.138 1.00 1.08 H new ATOM 0 HG3 LYS A 25 62.740 8.524 -10.877 1.00 1.08 H new ATOM 0 HD2 LYS A 25 60.825 8.878 -9.227 1.00 1.68 H new ATOM 0 HD3 LYS A 25 61.641 10.321 -8.657 1.00 1.68 H new ATOM 0 HE2 LYS A 25 60.400 11.365 -10.331 1.00 2.42 H new ATOM 0 HE3 LYS A 25 61.688 10.802 -11.377 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 59.515 10.009 -12.159 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 60.481 8.696 -11.684 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 59.233 9.242 -10.671 1.00 2.97 H new ATOM 419 N PHE A 26 66.096 9.347 -8.285 1.00 0.38 N ATOM 420 CA PHE A 26 67.099 10.464 -8.324 1.00 0.42 C ATOM 421 C PHE A 26 68.434 9.975 -8.900 1.00 0.42 C ATOM 422 O PHE A 26 69.120 10.701 -9.597 1.00 0.46 O ATOM 423 CB PHE A 26 67.269 10.900 -6.865 1.00 0.43 C ATOM 424 CG PHE A 26 68.195 12.089 -6.791 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.734 13.385 -7.201 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.537 11.923 -6.311 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.616 14.515 -7.130 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.419 13.054 -6.240 1.00 0.64 C ATOM 429 CZ PHE A 26 69.957 14.350 -6.650 1.00 0.67 C ATOM 0 H PHE A 26 65.709 9.150 -7.362 1.00 0.38 H new ATOM 0 HA PHE A 26 66.768 11.285 -8.960 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.300 11.155 -6.437 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.671 10.077 -6.274 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.724 13.510 -7.563 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.884 10.948 -6.003 1.00 0.56 H new ATOM 0 HE1 PHE A 26 68.269 15.490 -7.438 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.429 12.930 -5.878 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.620 15.201 -6.597 1.00 0.67 H new ATOM 439 N TYR A 27 68.824 8.777 -8.561 1.00 0.39 N ATOM 440 CA TYR A 27 70.148 8.246 -9.024 1.00 0.42 C ATOM 441 C TYR A 27 70.025 7.553 -10.395 1.00 0.35 C ATOM 442 O TYR A 27 71.018 7.326 -11.063 1.00 0.37 O ATOM 443 CB TYR A 27 70.541 7.239 -7.937 1.00 0.46 C ATOM 444 CG TYR A 27 71.928 6.685 -8.181 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.148 5.698 -9.203 1.00 0.85 C ATOM 446 CD2 TYR A 27 73.024 7.124 -7.367 1.00 0.95 C ATOM 447 CE1 TYR A 27 73.459 5.155 -9.408 1.00 1.10 C ATOM 448 CE2 TYR A 27 74.334 6.573 -7.567 1.00 1.16 C ATOM 449 CZ TYR A 27 74.550 5.589 -8.587 1.00 1.18 C ATOM 450 OH TYR A 27 75.805 5.055 -8.772 1.00 1.44 O ATOM 0 H TYR A 27 68.283 8.136 -7.980 1.00 0.39 H new ATOM 0 HA TYR A 27 70.888 9.035 -9.158 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.506 7.722 -6.960 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.819 6.423 -7.915 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.324 5.365 -9.817 1.00 0.85 H new ATOM 0 HD2 TYR A 27 72.863 7.870 -6.603 1.00 0.95 H new ATOM 0 HE1 TYR A 27 73.624 4.419 -10.181 1.00 1.10 H new ATOM 0 HE2 TYR A 27 75.157 6.900 -6.949 1.00 1.16 H new ATOM 0 HH TYR A 27 76.390 5.331 -8.036 1.00 1.44 H new ATOM 460 N GLY A 28 68.822 7.253 -10.841 1.00 0.31 N ATOM 461 CA GLY A 28 68.655 6.609 -12.181 1.00 0.29 C ATOM 462 C GLY A 28 69.045 5.128 -12.091 1.00 0.26 C ATOM 463 O GLY A 28 69.760 4.619 -12.935 1.00 0.27 O ATOM 0 H GLY A 28 67.954 7.427 -10.334 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.622 6.704 -12.515 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.277 7.115 -12.919 1.00 0.29 H new ATOM 467 N ILE A 29 68.628 4.450 -11.044 1.00 0.24 N ATOM 468 CA ILE A 29 69.029 3.016 -10.860 1.00 0.23 C ATOM 469 C ILE A 29 68.050 2.086 -11.585 1.00 0.20 C ATOM 470 O ILE A 29 66.867 2.070 -11.297 1.00 0.22 O ATOM 471 CB ILE A 29 68.982 2.760 -9.343 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.949 3.711 -8.637 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.387 1.310 -9.049 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.849 3.546 -7.116 1.00 0.42 C ATOM 0 H ILE A 29 68.028 4.828 -10.311 1.00 0.24 H new ATOM 0 HA ILE A 29 70.019 2.823 -11.272 1.00 0.23 H new ATOM 0 HB ILE A 29 67.969 2.932 -8.980 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.969 3.511 -8.964 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.722 4.741 -8.913 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.352 1.133 -7.974 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.698 0.631 -9.551 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.399 1.134 -9.413 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.544 4.230 -6.629 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.833 3.770 -6.792 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.099 2.521 -6.844 1.00 0.42 H new ATOM 486 N GLU A 30 68.578 1.193 -12.382 1.00 0.17 N ATOM 487 CA GLU A 30 67.739 0.109 -12.973 1.00 0.18 C ATOM 488 C GLU A 30 68.404 -1.243 -12.703 1.00 0.17 C ATOM 489 O GLU A 30 69.590 -1.311 -12.435 1.00 0.18 O ATOM 490 CB GLU A 30 67.697 0.401 -14.474 1.00 0.22 C ATOM 491 CG GLU A 30 67.048 1.770 -14.713 1.00 1.06 C ATOM 492 CD GLU A 30 66.925 2.051 -16.219 1.00 1.14 C ATOM 493 OE1 GLU A 30 67.619 1.408 -16.994 1.00 1.82 O ATOM 494 OE2 GLU A 30 66.133 2.910 -16.574 1.00 1.37 O ATOM 0 H GLU A 30 69.562 1.169 -12.650 1.00 0.17 H new ATOM 0 HA GLU A 30 66.735 0.074 -12.549 1.00 0.18 H new ATOM 0 HB2 GLU A 30 68.706 0.389 -14.886 1.00 0.22 H new ATOM 0 HB3 GLU A 30 67.133 -0.376 -14.990 1.00 0.22 H new ATOM 0 HG2 GLU A 30 66.062 1.797 -14.250 1.00 1.06 H new ATOM 0 HG3 GLU A 30 67.644 2.550 -14.239 1.00 1.06 H new ATOM 501 N GLN A 31 67.653 -2.317 -12.757 1.00 0.20 N ATOM 502 CA GLN A 31 68.247 -3.670 -12.482 1.00 0.20 C ATOM 503 C GLN A 31 69.414 -3.949 -13.436 1.00 0.19 C ATOM 504 O GLN A 31 69.341 -3.663 -14.618 1.00 0.20 O ATOM 505 CB GLN A 31 67.113 -4.670 -12.723 1.00 0.25 C ATOM 506 CG GLN A 31 66.037 -4.491 -11.646 1.00 1.08 C ATOM 507 CD GLN A 31 64.842 -5.412 -11.936 1.00 1.10 C ATOM 508 OE1 GLN A 31 64.834 -6.147 -12.906 1.00 0.70 O ATOM 509 NE2 GLN A 31 63.817 -5.396 -11.128 1.00 1.99 N ATOM 0 H GLN A 31 66.657 -2.319 -12.979 1.00 0.20 H new ATOM 0 HA GLN A 31 68.641 -3.738 -11.468 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.682 -4.516 -13.712 1.00 0.25 H new ATOM 0 HB3 GLN A 31 67.501 -5.688 -12.699 1.00 0.25 H new ATOM 0 HG2 GLN A 31 66.452 -4.719 -10.664 1.00 1.08 H new ATOM 0 HG3 GLN A 31 65.708 -3.452 -11.619 1.00 1.08 H new ATOM 0 HE21 GLN A 31 63.819 -4.782 -10.314 1.00 1.99 H new ATOM 0 HE22 GLN A 31 63.014 -5.998 -11.311 1.00 1.99 H new ATOM 518 N GLY A 32 70.478 -4.523 -12.929 1.00 0.18 N ATOM 519 CA GLY A 32 71.649 -4.850 -13.794 1.00 0.19 C ATOM 520 C GLY A 32 72.700 -3.730 -13.739 1.00 0.17 C ATOM 521 O GLY A 32 73.844 -3.947 -14.099 1.00 0.18 O ATOM 0 H GLY A 32 70.584 -4.779 -11.947 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.095 -5.790 -13.469 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.318 -4.994 -14.823 1.00 0.19 H new ATOM 525 N ASP A 33 72.347 -2.552 -13.258 1.00 0.15 N ATOM 526 CA ASP A 33 73.362 -1.455 -13.146 1.00 0.14 C ATOM 527 C ASP A 33 74.268 -1.700 -11.941 1.00 0.13 C ATOM 528 O ASP A 33 73.847 -2.282 -10.959 1.00 0.14 O ATOM 529 CB ASP A 33 72.555 -0.169 -12.951 1.00 0.13 C ATOM 530 CG ASP A 33 71.757 0.153 -14.219 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.155 -0.285 -15.289 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.761 0.843 -14.096 1.00 1.07 O ATOM 0 H ASP A 33 71.408 -2.309 -12.942 1.00 0.15 H new ATOM 0 HA ASP A 33 74.002 -1.400 -14.027 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.877 -0.281 -12.105 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.225 0.657 -12.715 1.00 0.13 H new ATOM 537 N PHE A 34 75.465 -1.162 -11.960 1.00 0.12 N ATOM 538 CA PHE A 34 76.348 -1.252 -10.762 1.00 0.11 C ATOM 539 C PHE A 34 76.493 0.129 -10.133 1.00 0.10 C ATOM 540 O PHE A 34 76.726 1.103 -10.822 1.00 0.11 O ATOM 541 CB PHE A 34 77.696 -1.743 -11.286 1.00 0.12 C ATOM 542 CG PHE A 34 77.588 -3.195 -11.684 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.142 -3.549 -13.000 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.933 -4.221 -10.742 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.040 -4.931 -13.375 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.832 -5.603 -11.117 1.00 0.20 C ATOM 547 CZ PHE A 34 77.385 -5.957 -12.434 1.00 0.21 C ATOM 0 H PHE A 34 75.865 -0.665 -12.756 1.00 0.12 H new ATOM 0 HA PHE A 34 75.948 -1.921 -10.000 1.00 0.11 H new ATOM 0 HB2 PHE A 34 78.005 -1.143 -12.142 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.461 -1.622 -10.519 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.883 -2.776 -13.709 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.269 -3.953 -9.751 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.703 -5.198 -14.366 1.00 0.20 H new ATOM 0 HE2 PHE A 34 78.092 -6.376 -10.409 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.308 -6.997 -12.717 1.00 0.21 H new ATOM 557 N VAL A 35 76.456 0.202 -8.829 1.00 0.09 N ATOM 558 CA VAL A 35 76.707 1.502 -8.143 1.00 0.09 C ATOM 559 C VAL A 35 77.743 1.301 -7.038 1.00 0.10 C ATOM 560 O VAL A 35 77.886 0.215 -6.509 1.00 0.10 O ATOM 561 CB VAL A 35 75.345 1.940 -7.580 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.352 2.118 -8.733 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.807 0.881 -6.613 1.00 0.15 C ATOM 0 H VAL A 35 76.262 -0.584 -8.209 1.00 0.09 H new ATOM 0 HA VAL A 35 77.106 2.265 -8.811 1.00 0.09 H new ATOM 0 HB VAL A 35 75.469 2.882 -7.046 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.385 2.429 -8.336 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.724 2.879 -9.419 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.239 1.173 -9.265 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.842 1.203 -6.221 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.687 -0.066 -7.140 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.508 0.751 -5.789 1.00 0.15 H new ATOM 573 N GLU A 36 78.457 2.338 -6.682 1.00 0.12 N ATOM 574 CA GLU A 36 79.482 2.218 -5.606 1.00 0.13 C ATOM 575 C GLU A 36 79.045 3.079 -4.440 1.00 0.13 C ATOM 576 O GLU A 36 78.630 4.205 -4.638 1.00 0.13 O ATOM 577 CB GLU A 36 80.779 2.746 -6.219 1.00 0.14 C ATOM 578 CG GLU A 36 81.936 2.534 -5.233 1.00 0.15 C ATOM 579 CD GLU A 36 83.239 3.148 -5.777 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.204 3.774 -6.829 1.00 1.09 O ATOM 581 OE2 GLU A 36 84.257 2.982 -5.125 1.00 1.03 O ATOM 0 H GLU A 36 78.372 3.267 -7.094 1.00 0.12 H new ATOM 0 HA GLU A 36 79.613 1.198 -5.245 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.987 2.230 -7.156 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.677 3.805 -6.454 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.689 2.987 -4.273 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.078 1.468 -5.056 1.00 0.15 H new ATOM 588 N ILE A 37 78.914 2.489 -3.281 1.00 0.12 N ATOM 589 CA ILE A 37 78.234 3.200 -2.166 1.00 0.11 C ATOM 590 C ILE A 37 78.952 2.943 -0.839 1.00 0.11 C ATOM 591 O ILE A 37 79.662 1.967 -0.688 1.00 0.12 O ATOM 592 CB ILE A 37 76.813 2.620 -2.164 1.00 0.12 C ATOM 593 CG1 ILE A 37 75.972 3.310 -1.087 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.855 1.111 -1.895 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.480 3.181 -1.429 1.00 0.14 C ATOM 0 H ILE A 37 79.248 1.550 -3.062 1.00 0.12 H new ATOM 0 HA ILE A 37 78.233 4.283 -2.291 1.00 0.11 H new ATOM 0 HB ILE A 37 76.363 2.793 -3.142 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.171 2.861 -0.114 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.248 4.362 -1.015 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.840 0.713 -1.896 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.439 0.619 -2.673 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.316 0.927 -0.924 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.886 3.674 -0.659 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.286 3.651 -2.393 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.208 2.127 -1.478 1.00 0.14 H new ATOM 607 N LYS A 38 78.752 3.806 0.121 1.00 0.12 N ATOM 608 CA LYS A 38 79.394 3.621 1.455 1.00 0.13 C ATOM 609 C LYS A 38 78.368 3.817 2.573 1.00 0.13 C ATOM 610 O LYS A 38 77.493 4.654 2.476 1.00 0.14 O ATOM 611 CB LYS A 38 80.471 4.698 1.534 1.00 0.13 C ATOM 612 CG LYS A 38 81.349 4.423 2.753 1.00 0.18 C ATOM 613 CD LYS A 38 82.537 5.391 2.777 1.00 0.25 C ATOM 614 CE LYS A 38 82.035 6.831 2.915 1.00 1.03 C ATOM 615 NZ LYS A 38 83.084 7.530 3.707 1.00 1.11 N ATOM 0 H LYS A 38 78.167 4.637 0.037 1.00 0.12 H new ATOM 0 HA LYS A 38 79.807 2.619 1.572 1.00 0.13 H new ATOM 0 HB2 LYS A 38 81.074 4.697 0.626 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.014 5.685 1.612 1.00 0.13 H new ATOM 0 HG2 LYS A 38 80.762 4.533 3.665 1.00 0.18 H new ATOM 0 HG3 LYS A 38 81.709 3.394 2.727 1.00 0.18 H new ATOM 0 HD2 LYS A 38 83.199 5.147 3.608 1.00 0.25 H new ATOM 0 HD3 LYS A 38 83.121 5.286 1.862 1.00 0.25 H new ATOM 0 HE2 LYS A 38 81.901 7.297 1.939 1.00 1.03 H new ATOM 0 HE3 LYS A 38 81.070 6.866 3.420 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 82.637 8.223 4.340 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 83.612 6.835 4.273 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 83.737 8.020 3.062 1.00 1.11 H new ATOM 629 N ILE A 39 78.508 3.089 3.653 1.00 0.14 N ATOM 630 CA ILE A 39 77.582 3.270 4.816 1.00 0.14 C ATOM 631 C ILE A 39 78.348 3.799 6.023 1.00 0.13 C ATOM 632 O ILE A 39 79.512 3.495 6.213 1.00 0.13 O ATOM 633 CB ILE A 39 77.013 1.879 5.132 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.157 0.882 5.366 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.141 1.404 3.972 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.620 -0.358 6.083 1.00 0.20 C ATOM 0 H ILE A 39 79.225 2.375 3.781 1.00 0.14 H new ATOM 0 HA ILE A 39 76.793 3.985 4.583 1.00 0.14 H new ATOM 0 HB ILE A 39 76.407 1.940 6.036 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.606 0.598 4.414 1.00 0.16 H new ATOM 0 HG13 ILE A 39 78.942 1.347 5.962 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.739 0.417 4.200 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.320 2.105 3.824 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.741 1.351 3.064 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.434 -1.064 6.248 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.192 -0.067 7.042 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.851 -0.828 5.470 1.00 0.20 H new ATOM 648 N VAL A 40 77.687 4.566 6.850 1.00 0.13 N ATOM 649 CA VAL A 40 78.344 5.106 8.075 1.00 0.12 C ATOM 650 C VAL A 40 77.361 5.064 9.249 1.00 0.16 C ATOM 651 O VAL A 40 76.306 5.671 9.209 1.00 0.20 O ATOM 652 CB VAL A 40 78.715 6.554 7.729 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.420 7.206 8.922 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.657 6.574 6.517 1.00 0.16 C ATOM 0 H VAL A 40 76.713 4.843 6.727 1.00 0.13 H new ATOM 0 HA VAL A 40 79.221 4.528 8.368 1.00 0.12 H new ATOM 0 HB VAL A 40 77.805 7.106 7.494 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.682 8.234 8.672 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.755 7.200 9.785 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.326 6.648 9.159 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.917 7.605 6.275 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.564 6.016 6.752 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.160 6.116 5.662 1.00 0.16 H new ATOM 664 N LYS A 41 77.744 4.417 10.316 1.00 0.17 N ATOM 665 CA LYS A 41 76.897 4.395 11.544 1.00 0.22 C ATOM 666 C LYS A 41 77.761 4.713 12.759 1.00 0.21 C ATOM 667 O LYS A 41 78.931 4.388 12.788 1.00 0.22 O ATOM 668 CB LYS A 41 76.356 2.971 11.646 1.00 0.28 C ATOM 669 CG LYS A 41 75.387 2.886 12.826 1.00 0.54 C ATOM 670 CD LYS A 41 75.017 1.425 13.087 1.00 1.11 C ATOM 671 CE LYS A 41 74.077 1.345 14.293 1.00 1.50 C ATOM 672 NZ LYS A 41 74.529 0.146 15.052 1.00 1.98 N ATOM 0 H LYS A 41 78.618 3.896 10.390 1.00 0.17 H new ATOM 0 HA LYS A 41 76.091 5.128 11.502 1.00 0.22 H new ATOM 0 HB2 LYS A 41 75.848 2.695 10.722 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.176 2.266 11.782 1.00 0.28 H new ATOM 0 HG2 LYS A 41 75.844 3.320 13.716 1.00 0.54 H new ATOM 0 HG3 LYS A 41 74.489 3.466 12.614 1.00 0.54 H new ATOM 0 HD2 LYS A 41 74.535 0.998 12.208 1.00 1.11 H new ATOM 0 HD3 LYS A 41 75.917 0.839 13.274 1.00 1.11 H new ATOM 0 HE2 LYS A 41 74.140 2.246 14.903 1.00 1.50 H new ATOM 0 HE3 LYS A 41 73.038 1.245 13.978 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 74.214 0.222 16.040 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 74.122 -0.710 14.624 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 75.567 0.088 15.023 1.00 1.98 H new ATOM 686 N TYR A 42 77.198 5.342 13.758 1.00 0.20 N ATOM 687 CA TYR A 42 77.998 5.678 14.977 1.00 0.20 C ATOM 688 C TYR A 42 77.681 4.697 16.108 1.00 0.27 C ATOM 689 O TYR A 42 76.532 4.487 16.451 1.00 0.33 O ATOM 690 CB TYR A 42 77.580 7.099 15.356 1.00 0.22 C ATOM 691 CG TYR A 42 78.589 7.669 16.322 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.880 8.076 15.845 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.262 7.802 17.713 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.846 8.616 16.759 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.228 8.343 18.627 1.00 0.25 C ATOM 696 CZ TYR A 42 80.520 8.750 18.150 1.00 0.28 C ATOM 697 OH TYR A 42 81.449 9.269 19.029 1.00 0.33 O ATOM 0 H TYR A 42 76.222 5.637 13.784 1.00 0.20 H new ATOM 0 HA TYR A 42 79.071 5.611 14.795 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.518 7.723 14.465 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.589 7.091 15.809 1.00 0.22 H new ATOM 0 HD1 TYR A 42 80.125 7.976 14.798 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.291 7.496 18.072 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.818 8.921 16.400 1.00 0.28 H new ATOM 0 HE2 TYR A 42 78.983 8.444 19.674 1.00 0.25 H new ATOM 0 HH TYR A 42 81.068 9.292 19.932 1.00 0.33 H new ATOM 759 N PRO A 47 82.924 6.087 15.312 1.00 0.25 N ATOM 760 CA PRO A 47 82.103 5.792 14.113 1.00 0.21 C ATOM 761 C PRO A 47 82.582 4.498 13.438 1.00 0.27 C ATOM 762 O PRO A 47 83.768 4.283 13.267 1.00 0.34 O ATOM 763 CB PRO A 47 82.316 6.997 13.187 1.00 0.24 C ATOM 764 CG PRO A 47 83.274 7.919 13.885 1.00 0.33 C ATOM 765 CD PRO A 47 83.864 7.188 15.061 1.00 0.31 C ATOM 0 HA PRO A 47 81.051 5.644 14.358 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.718 6.679 12.225 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.371 7.502 12.986 1.00 0.24 H new ATOM 0 HG2 PRO A 47 84.062 8.236 13.201 1.00 0.33 H new ATOM 0 HG3 PRO A 47 82.759 8.820 14.218 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.863 6.815 14.837 1.00 0.31 H new ATOM 0 HD3 PRO A 47 83.955 7.840 15.930 1.00 0.31 H new ATOM 773 N LYS A 48 81.662 3.714 12.931 1.00 0.26 N ATOM 774 CA LYS A 48 82.040 2.518 12.116 1.00 0.35 C ATOM 775 C LYS A 48 81.642 2.742 10.655 1.00 0.28 C ATOM 776 O LYS A 48 80.627 3.351 10.375 1.00 0.24 O ATOM 777 CB LYS A 48 81.243 1.357 12.709 1.00 0.45 C ATOM 778 CG LYS A 48 81.629 1.157 14.176 1.00 0.60 C ATOM 779 CD LYS A 48 83.079 0.681 14.254 1.00 0.47 C ATOM 780 CE LYS A 48 83.391 0.226 15.682 1.00 0.48 C ATOM 781 NZ LYS A 48 82.754 -1.114 15.807 1.00 1.10 N ATOM 0 H LYS A 48 80.658 3.853 13.048 1.00 0.26 H new ATOM 0 HA LYS A 48 83.113 2.325 12.138 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.175 1.559 12.629 1.00 0.45 H new ATOM 0 HB3 LYS A 48 81.438 0.445 12.145 1.00 0.45 H new ATOM 0 HG2 LYS A 48 81.510 2.090 14.726 1.00 0.60 H new ATOM 0 HG3 LYS A 48 80.968 0.426 14.642 1.00 0.60 H new ATOM 0 HD2 LYS A 48 83.241 -0.140 13.556 1.00 0.47 H new ATOM 0 HD3 LYS A 48 83.753 1.486 13.962 1.00 0.47 H new ATOM 0 HE2 LYS A 48 84.466 0.169 15.852 1.00 0.48 H new ATOM 0 HE3 LYS A 48 82.988 0.924 16.416 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 82.124 -1.123 16.635 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 82.202 -1.317 14.949 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 83.490 -1.839 15.924 1.00 1.10 H new ATOM 795 N GLU A 49 82.514 2.403 9.736 1.00 0.26 N ATOM 796 CA GLU A 49 82.295 2.756 8.317 1.00 0.20 C ATOM 797 C GLU A 49 82.559 1.542 7.411 1.00 0.19 C ATOM 798 O GLU A 49 83.326 0.659 7.749 1.00 0.21 O ATOM 799 CB GLU A 49 83.319 3.870 8.083 1.00 0.25 C ATOM 800 CG GLU A 49 83.288 4.299 6.624 1.00 0.80 C ATOM 801 CD GLU A 49 84.357 5.370 6.353 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.798 6.009 7.297 1.00 1.42 O ATOM 803 OE2 GLU A 49 84.713 5.538 5.198 1.00 0.96 O ATOM 0 H GLU A 49 83.376 1.890 9.921 1.00 0.26 H new ATOM 0 HA GLU A 49 81.275 3.066 8.092 1.00 0.20 H new ATOM 0 HB2 GLU A 49 83.098 4.721 8.727 1.00 0.25 H new ATOM 0 HB3 GLU A 49 84.317 3.521 8.348 1.00 0.25 H new ATOM 0 HG2 GLU A 49 83.459 3.435 5.982 1.00 0.80 H new ATOM 0 HG3 GLU A 49 82.302 4.691 6.375 1.00 0.80 H new ATOM 810 N GLY A 50 81.981 1.542 6.233 1.00 0.16 N ATOM 811 CA GLY A 50 82.250 0.447 5.255 1.00 0.16 C ATOM 812 C GLY A 50 81.937 0.936 3.841 1.00 0.15 C ATOM 813 O GLY A 50 80.903 1.524 3.601 1.00 0.17 O ATOM 0 H GLY A 50 81.332 2.258 5.908 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.292 0.135 5.321 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.640 -0.425 5.493 1.00 0.16 H new ATOM 817 N THR A 51 82.798 0.643 2.895 1.00 0.14 N ATOM 818 CA THR A 51 82.529 1.035 1.476 1.00 0.14 C ATOM 819 C THR A 51 82.649 -0.192 0.570 1.00 0.13 C ATOM 820 O THR A 51 83.564 -0.983 0.713 1.00 0.15 O ATOM 821 CB THR A 51 83.615 2.058 1.122 1.00 0.16 C ATOM 822 OG1 THR A 51 83.837 2.922 2.230 1.00 0.18 O ATOM 823 CG2 THR A 51 83.170 2.891 -0.087 1.00 0.21 C ATOM 0 H THR A 51 83.677 0.148 3.046 1.00 0.14 H new ATOM 0 HA THR A 51 81.528 1.446 1.346 1.00 0.14 H new ATOM 0 HB THR A 51 84.537 1.529 0.879 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.532 3.574 2.002 1.00 0.18 H new ATOM 0 HG21 THR A 51 83.945 3.616 -0.334 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.003 2.234 -0.940 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.245 3.416 0.153 1.00 0.21 H new ATOM 831 N PHE A 52 81.754 -0.338 -0.380 1.00 0.12 N ATOM 832 CA PHE A 52 81.845 -1.500 -1.321 1.00 0.13 C ATOM 833 C PHE A 52 81.126 -1.196 -2.649 1.00 0.11 C ATOM 834 O PHE A 52 80.385 -0.235 -2.757 1.00 0.10 O ATOM 835 CB PHE A 52 81.205 -2.686 -0.558 1.00 0.14 C ATOM 836 CG PHE A 52 79.692 -2.564 -0.497 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.074 -1.562 0.324 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.880 -3.450 -1.281 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.643 -1.451 0.362 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.452 -3.338 -1.245 1.00 0.14 C ATOM 841 CZ PHE A 52 76.832 -2.340 -0.425 1.00 0.15 C ATOM 0 H PHE A 52 80.970 0.293 -0.543 1.00 0.12 H new ATOM 0 HA PHE A 52 82.873 -1.726 -1.604 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.475 -3.622 -1.047 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.608 -2.728 0.454 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.684 -0.893 0.912 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.346 -4.203 -1.899 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.176 -0.700 0.982 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.843 -4.006 -1.836 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.756 -2.255 -0.398 1.00 0.15 H new ATOM 851 N THR A 53 81.241 -2.086 -3.604 1.00 0.12 N ATOM 852 CA THR A 53 80.459 -1.949 -4.870 1.00 0.11 C ATOM 853 C THR A 53 79.334 -2.985 -4.893 1.00 0.11 C ATOM 854 O THR A 53 79.494 -4.089 -4.403 1.00 0.12 O ATOM 855 CB THR A 53 81.461 -2.220 -5.994 1.00 0.11 C ATOM 856 OG1 THR A 53 82.553 -1.318 -5.880 1.00 0.13 O ATOM 857 CG2 THR A 53 80.775 -2.027 -7.349 1.00 0.11 C ATOM 0 H THR A 53 81.847 -2.906 -3.560 1.00 0.12 H new ATOM 0 HA THR A 53 79.999 -0.966 -4.971 1.00 0.11 H new ATOM 0 HB THR A 53 81.826 -3.244 -5.917 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.197 -1.491 -6.598 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.489 -2.220 -8.149 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.938 -2.720 -7.435 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.409 -1.003 -7.429 1.00 0.11 H new ATOM 865 N ALA A 54 78.178 -2.609 -5.384 1.00 0.11 N ATOM 866 CA ALA A 54 77.009 -3.539 -5.356 1.00 0.13 C ATOM 867 C ALA A 54 76.182 -3.400 -6.634 1.00 0.13 C ATOM 868 O ALA A 54 76.005 -2.315 -7.152 1.00 0.11 O ATOM 869 CB ALA A 54 76.190 -3.105 -4.134 1.00 0.14 C ATOM 0 H ALA A 54 77.995 -1.697 -5.803 1.00 0.11 H new ATOM 0 HA ALA A 54 77.316 -4.583 -5.295 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.310 -3.741 -4.042 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.800 -3.197 -3.236 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.877 -2.068 -4.255 1.00 0.14 H new ATOM 875 N ARG A 55 75.612 -4.487 -7.097 1.00 0.15 N ATOM 876 CA ARG A 55 74.715 -4.422 -8.287 1.00 0.15 C ATOM 877 C ARG A 55 73.264 -4.269 -7.833 1.00 0.15 C ATOM 878 O ARG A 55 72.864 -4.813 -6.819 1.00 0.16 O ATOM 879 CB ARG A 55 74.909 -5.751 -9.017 1.00 0.19 C ATOM 880 CG ARG A 55 74.305 -5.651 -10.420 1.00 0.27 C ATOM 881 CD ARG A 55 74.348 -7.024 -11.096 1.00 0.45 C ATOM 882 NE ARG A 55 74.014 -6.767 -12.535 1.00 0.90 N ATOM 883 CZ ARG A 55 73.632 -7.741 -13.344 1.00 1.48 C ATOM 884 NH1 ARG A 55 73.519 -8.986 -12.931 1.00 1.67 N ATOM 885 NH2 ARG A 55 73.360 -7.461 -14.588 1.00 2.21 N ATOM 0 H ARG A 55 75.732 -5.418 -6.698 1.00 0.15 H new ATOM 0 HA ARG A 55 74.946 -3.574 -8.931 1.00 0.15 H new ATOM 0 HB2 ARG A 55 75.970 -5.992 -9.082 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.432 -6.558 -8.460 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.276 -5.296 -10.360 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.859 -4.924 -11.014 1.00 0.27 H new ATOM 0 HD2 ARG A 55 75.333 -7.481 -10.996 1.00 0.45 H new ATOM 0 HD3 ARG A 55 73.631 -7.709 -10.642 1.00 0.45 H new ATOM 0 HE ARG A 55 74.083 -5.817 -12.899 1.00 0.90 H new ATOM 0 HH11 ARG A 55 73.729 -9.223 -11.961 1.00 1.67 H new ATOM 0 HH12 ARG A 55 73.222 -9.714 -13.581 1.00 1.67 H new ATOM 0 HH21 ARG A 55 73.443 -6.502 -14.925 1.00 2.21 H new ATOM 0 HH22 ARG A 55 73.064 -8.201 -15.224 1.00 2.21 H new ATOM 899 N VAL A 56 72.479 -3.541 -8.580 1.00 0.14 N ATOM 900 CA VAL A 56 71.044 -3.348 -8.209 1.00 0.14 C ATOM 901 C VAL A 56 70.232 -4.575 -8.623 1.00 0.15 C ATOM 902 O VAL A 56 70.224 -4.971 -9.774 1.00 0.17 O ATOM 903 CB VAL A 56 70.601 -2.097 -8.979 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.104 -1.824 -8.751 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.418 -0.900 -8.486 1.00 0.17 C ATOM 0 H VAL A 56 72.770 -3.069 -9.436 1.00 0.14 H new ATOM 0 HA VAL A 56 70.897 -3.226 -7.136 1.00 0.14 H new ATOM 0 HB VAL A 56 70.766 -2.255 -10.045 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.808 -0.933 -9.305 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.522 -2.677 -9.098 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.920 -1.668 -7.688 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.112 -0.004 -9.026 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.246 -0.757 -7.419 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.478 -1.086 -8.661 1.00 0.17 H new ATOM 915 N GLY A 57 69.527 -5.148 -7.686 1.00 0.16 N ATOM 916 CA GLY A 57 68.673 -6.332 -7.993 1.00 0.19 C ATOM 917 C GLY A 57 67.204 -5.914 -8.058 1.00 0.18 C ATOM 918 O GLY A 57 66.873 -4.741 -8.134 1.00 0.16 O ATOM 0 H GLY A 57 69.506 -4.844 -6.712 1.00 0.16 H new ATOM 0 HA2 GLY A 57 68.976 -6.773 -8.942 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.809 -7.097 -7.228 1.00 0.19 H new ATOM 922 N GLU A 58 66.324 -6.878 -8.035 1.00 0.21 N ATOM 923 CA GLU A 58 64.862 -6.573 -8.109 1.00 0.22 C ATOM 924 C GLU A 58 64.438 -5.723 -6.907 1.00 0.22 C ATOM 925 O GLU A 58 65.049 -5.764 -5.856 1.00 0.24 O ATOM 926 CB GLU A 58 64.162 -7.936 -8.080 1.00 0.27 C ATOM 927 CG GLU A 58 62.657 -7.749 -8.307 1.00 0.81 C ATOM 928 CD GLU A 58 61.918 -9.097 -8.212 1.00 0.80 C ATOM 929 OE1 GLU A 58 62.551 -10.099 -7.905 1.00 1.39 O ATOM 930 OE2 GLU A 58 60.722 -9.103 -8.451 1.00 1.28 O ATOM 0 H GLU A 58 66.554 -7.869 -7.968 1.00 0.21 H new ATOM 0 HA GLU A 58 64.606 -6.007 -9.005 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.578 -8.586 -8.850 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.337 -8.425 -7.122 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.256 -7.056 -7.567 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.485 -7.303 -9.287 1.00 0.81 H new ATOM 937 N GLN A 59 63.401 -4.939 -7.068 1.00 0.25 N ATOM 938 CA GLN A 59 62.912 -4.057 -5.957 1.00 0.30 C ATOM 939 C GLN A 59 64.031 -3.169 -5.390 1.00 0.23 C ATOM 940 O GLN A 59 63.866 -2.583 -4.334 1.00 0.23 O ATOM 941 CB GLN A 59 62.386 -5.009 -4.878 1.00 0.37 C ATOM 942 CG GLN A 59 61.034 -5.579 -5.315 1.00 0.46 C ATOM 943 CD GLN A 59 60.543 -6.586 -4.275 1.00 0.56 C ATOM 944 OE1 GLN A 59 60.005 -6.209 -3.253 1.00 0.82 O ATOM 945 NE2 GLN A 59 60.706 -7.861 -4.497 1.00 0.81 N ATOM 0 H GLN A 59 62.864 -4.870 -7.932 1.00 0.25 H new ATOM 0 HA GLN A 59 62.143 -3.374 -6.317 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.098 -5.818 -4.713 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.281 -4.480 -3.931 1.00 0.37 H new ATOM 0 HG2 GLN A 59 60.308 -4.774 -5.428 1.00 0.46 H new ATOM 0 HG3 GLN A 59 61.129 -6.062 -6.288 1.00 0.46 H new ATOM 0 HE21 GLN A 59 61.158 -8.175 -5.356 1.00 0.81 H new ATOM 0 HE22 GLN A 59 60.382 -8.544 -3.812 1.00 0.81 H new ATOM 954 N GLY A 60 65.095 -2.939 -6.137 1.00 0.19 N ATOM 955 CA GLY A 60 66.117 -1.938 -5.690 1.00 0.16 C ATOM 956 C GLY A 60 66.949 -2.491 -4.527 1.00 0.12 C ATOM 957 O GLY A 60 67.492 -1.732 -3.741 1.00 0.12 O ATOM 0 H GLY A 60 65.294 -3.398 -7.026 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.772 -1.684 -6.523 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.621 -1.018 -5.383 1.00 0.16 H new ATOM 961 N SER A 61 66.981 -3.792 -4.359 1.00 0.14 N ATOM 962 CA SER A 61 67.708 -4.381 -3.191 1.00 0.16 C ATOM 963 C SER A 61 69.217 -4.397 -3.453 1.00 0.15 C ATOM 964 O SER A 61 69.659 -4.661 -4.555 1.00 0.18 O ATOM 965 CB SER A 61 67.174 -5.806 -3.060 1.00 0.21 C ATOM 966 OG SER A 61 67.694 -6.601 -4.118 1.00 1.30 O ATOM 0 H SER A 61 66.536 -4.469 -4.979 1.00 0.14 H new ATOM 0 HA SER A 61 67.550 -3.803 -2.281 1.00 0.16 H new ATOM 0 HB2 SER A 61 67.462 -6.228 -2.097 1.00 0.21 H new ATOM 0 HB3 SER A 61 66.085 -5.803 -3.093 1.00 0.21 H new ATOM 0 HG SER A 61 67.355 -7.517 -4.036 1.00 1.30 H new ATOM 972 N VAL A 62 69.998 -4.226 -2.418 1.00 0.14 N ATOM 973 CA VAL A 62 71.480 -4.353 -2.547 1.00 0.15 C ATOM 974 C VAL A 62 72.043 -5.088 -1.323 1.00 0.14 C ATOM 975 O VAL A 62 71.499 -4.990 -0.237 1.00 0.14 O ATOM 976 CB VAL A 62 72.000 -2.912 -2.628 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.621 -2.138 -1.363 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.523 -2.927 -2.777 1.00 0.21 C ATOM 0 H VAL A 62 69.668 -4.001 -1.479 1.00 0.14 H new ATOM 0 HA VAL A 62 71.782 -4.928 -3.423 1.00 0.15 H new ATOM 0 HB VAL A 62 71.549 -2.422 -3.491 1.00 0.17 H new ATOM 0 HG11 VAL A 62 71.997 -1.117 -1.435 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.536 -2.119 -1.259 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.060 -2.626 -0.493 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.893 -1.903 -2.835 1.00 0.21 H new ATOM 0 HG22 VAL A 62 73.968 -3.426 -1.916 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.794 -3.463 -3.687 1.00 0.21 H new ATOM 988 N ILE A 63 73.076 -5.877 -1.505 1.00 0.16 N ATOM 989 CA ILE A 63 73.618 -6.687 -0.364 1.00 0.17 C ATOM 990 C ILE A 63 74.998 -6.168 0.054 1.00 0.16 C ATOM 991 O ILE A 63 75.938 -6.192 -0.720 1.00 0.19 O ATOM 992 CB ILE A 63 73.724 -8.124 -0.898 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.354 -8.614 -1.412 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.210 -9.052 0.220 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.307 -8.563 -0.290 1.00 0.34 C ATOM 0 H ILE A 63 73.567 -5.996 -2.391 1.00 0.16 H new ATOM 0 HA ILE A 63 72.977 -6.627 0.516 1.00 0.17 H new ATOM 0 HB ILE A 63 74.434 -8.137 -1.725 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.030 -7.994 -2.248 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.444 -9.633 -1.787 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.285 -10.071 -0.160 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.189 -8.721 0.567 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.503 -9.025 1.049 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.348 -8.912 -0.672 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.625 -9.203 0.533 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.205 -7.538 0.066 1.00 0.34 H new ATOM 1007 N ILE A 64 75.146 -5.800 1.304 1.00 0.15 N ATOM 1008 CA ILE A 64 76.490 -5.392 1.824 1.00 0.16 C ATOM 1009 C ILE A 64 77.341 -6.646 2.101 1.00 0.18 C ATOM 1010 O ILE A 64 76.813 -7.649 2.527 1.00 0.20 O ATOM 1011 CB ILE A 64 76.204 -4.630 3.125 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.329 -3.409 2.824 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.519 -4.161 3.752 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.755 -2.857 4.129 1.00 0.32 C ATOM 0 H ILE A 64 74.391 -5.764 1.989 1.00 0.15 H new ATOM 0 HA ILE A 64 77.044 -4.777 1.115 1.00 0.16 H new ATOM 0 HB ILE A 64 75.686 -5.293 3.818 1.00 0.19 H new ATOM 0 HG12 ILE A 64 75.918 -2.642 2.320 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.521 -3.686 2.147 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.310 -3.621 4.675 1.00 0.34 H new ATOM 0 HG22 ILE A 64 78.146 -5.025 3.972 1.00 0.34 H new ATOM 0 HG23 ILE A 64 78.039 -3.503 3.056 1.00 0.34 H new ATOM 0 HD11 ILE A 64 74.133 -1.988 3.914 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.152 -3.624 4.615 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.571 -2.564 4.790 1.00 0.32 H new ATOM 1026 N PRO A 65 78.636 -6.563 1.863 1.00 0.19 N ATOM 1027 CA PRO A 65 79.526 -7.738 2.109 1.00 0.23 C ATOM 1028 C PRO A 65 79.557 -8.095 3.600 1.00 0.26 C ATOM 1029 O PRO A 65 79.687 -7.238 4.453 1.00 0.23 O ATOM 1030 CB PRO A 65 80.889 -7.243 1.628 1.00 0.26 C ATOM 1031 CG PRO A 65 80.800 -5.765 1.789 1.00 0.24 C ATOM 1032 CD PRO A 65 79.407 -5.409 1.364 1.00 0.21 C ATOM 0 HA PRO A 65 79.199 -8.644 1.600 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.701 -7.663 2.222 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.075 -7.523 0.591 1.00 0.26 H new ATOM 0 HG2 PRO A 65 80.985 -5.469 2.822 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.542 -5.256 1.174 1.00 0.24 H new ATOM 0 HD2 PRO A 65 79.072 -4.471 1.806 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.325 -5.299 0.283 1.00 0.21 H new ATOM 1040 N LYS A 66 79.439 -9.363 3.915 1.00 0.41 N ATOM 1041 CA LYS A 66 79.454 -9.807 5.351 1.00 0.51 C ATOM 1042 C LYS A 66 80.716 -9.305 6.062 1.00 0.44 C ATOM 1043 O LYS A 66 80.697 -9.005 7.242 1.00 0.42 O ATOM 1044 CB LYS A 66 79.447 -11.338 5.302 1.00 0.69 C ATOM 1045 CG LYS A 66 79.362 -11.898 6.724 1.00 0.96 C ATOM 1046 CD LYS A 66 77.937 -11.731 7.255 1.00 1.31 C ATOM 1047 CE LYS A 66 77.832 -12.365 8.644 1.00 1.89 C ATOM 1048 NZ LYS A 66 76.388 -12.276 8.998 1.00 2.62 N ATOM 0 H LYS A 66 79.332 -10.117 3.236 1.00 0.41 H new ATOM 0 HA LYS A 66 78.602 -9.410 5.903 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.601 -11.689 4.711 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.350 -11.700 4.811 1.00 0.69 H new ATOM 0 HG2 LYS A 66 79.642 -12.951 6.728 1.00 0.96 H new ATOM 0 HG3 LYS A 66 80.066 -11.378 7.373 1.00 0.96 H new ATOM 0 HD2 LYS A 66 77.678 -10.673 7.306 1.00 1.31 H new ATOM 0 HD3 LYS A 66 77.227 -12.201 6.575 1.00 1.31 H new ATOM 0 HE2 LYS A 66 78.173 -13.400 8.632 1.00 1.89 H new ATOM 0 HE3 LYS A 66 78.450 -11.834 9.368 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 76.235 -12.691 9.939 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 76.094 -11.279 9.008 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 75.825 -12.796 8.295 1.00 2.62 H new ATOM 1062 N ALA A 67 81.816 -9.249 5.355 1.00 0.43 N ATOM 1063 CA ALA A 67 83.104 -8.811 5.984 1.00 0.40 C ATOM 1064 C ALA A 67 82.963 -7.400 6.559 1.00 0.30 C ATOM 1065 O ALA A 67 83.477 -7.096 7.623 1.00 0.28 O ATOM 1066 CB ALA A 67 84.136 -8.825 4.853 1.00 0.45 C ATOM 0 H ALA A 67 81.880 -9.488 4.366 1.00 0.43 H new ATOM 0 HA ALA A 67 83.396 -9.464 6.807 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.106 -8.514 5.242 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.215 -9.833 4.445 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.823 -8.138 4.067 1.00 0.45 H new ATOM 1072 N LEU A 68 82.251 -6.545 5.868 1.00 0.27 N ATOM 1073 CA LEU A 68 82.058 -5.150 6.369 1.00 0.23 C ATOM 1074 C LEU A 68 81.016 -5.116 7.488 1.00 0.22 C ATOM 1075 O LEU A 68 81.129 -4.330 8.410 1.00 0.22 O ATOM 1076 CB LEU A 68 81.590 -4.331 5.159 1.00 0.28 C ATOM 1077 CG LEU A 68 82.730 -4.195 4.136 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.245 -3.374 2.938 1.00 1.24 C ATOM 1079 CD2 LEU A 68 83.928 -3.478 4.773 1.00 1.82 C ATOM 0 H LEU A 68 81.795 -6.753 4.979 1.00 0.27 H new ATOM 0 HA LEU A 68 82.978 -4.745 6.790 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.730 -4.814 4.694 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.263 -3.343 5.484 1.00 0.28 H new ATOM 0 HG LEU A 68 83.032 -5.191 3.812 1.00 0.99 H new ATOM 0 HD11 LEU A 68 83.053 -3.277 2.212 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.397 -3.876 2.472 1.00 1.24 H new ATOM 0 HD13 LEU A 68 81.940 -2.384 3.275 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.729 -3.387 4.040 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.624 -2.485 5.103 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.283 -4.052 5.629 1.00 1.82 H new ATOM 1091 N ARG A 69 80.021 -5.979 7.442 1.00 0.25 N ATOM 1092 CA ARG A 69 78.994 -5.999 8.541 1.00 0.28 C ATOM 1093 C ARG A 69 79.680 -6.253 9.886 1.00 0.25 C ATOM 1094 O ARG A 69 79.355 -5.642 10.888 1.00 0.26 O ATOM 1095 CB ARG A 69 78.068 -7.188 8.259 1.00 0.35 C ATOM 1096 CG ARG A 69 77.455 -7.125 6.858 1.00 0.46 C ATOM 1097 CD ARG A 69 76.350 -8.185 6.777 1.00 0.56 C ATOM 1098 NE ARG A 69 76.304 -8.623 5.345 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.834 -9.811 4.999 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.343 -10.655 5.881 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.845 -10.153 3.741 1.00 2.30 N ATOM 0 H ARG A 69 79.877 -6.663 6.699 1.00 0.25 H new ATOM 0 HA ARG A 69 78.456 -5.052 8.578 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.629 -8.116 8.367 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.271 -7.209 9.002 1.00 0.35 H new ATOM 0 HG2 ARG A 69 77.047 -6.133 6.665 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.216 -7.309 6.100 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.567 -9.026 7.436 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.391 -7.774 7.090 1.00 0.56 H new ATOM 0 HE ARG A 69 76.643 -7.991 4.620 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.316 -10.402 6.869 1.00 2.53 H new ATOM 0 HH12 ARG A 69 74.990 -11.562 5.577 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.212 -9.509 3.041 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.487 -11.065 3.457 1.00 2.30 H new ATOM 1115 N ASP A 70 80.558 -7.225 9.917 1.00 0.25 N ATOM 1116 CA ASP A 70 81.204 -7.624 11.204 1.00 0.25 C ATOM 1117 C ASP A 70 82.166 -6.538 11.677 1.00 0.22 C ATOM 1118 O ASP A 70 82.165 -6.164 12.835 1.00 0.22 O ATOM 1119 CB ASP A 70 81.967 -8.917 10.897 1.00 0.27 C ATOM 1120 CG ASP A 70 80.983 -10.020 10.491 1.00 0.91 C ATOM 1121 OD1 ASP A 70 79.853 -9.987 10.955 1.00 1.56 O ATOM 1122 OD2 ASP A 70 81.379 -10.885 9.727 1.00 1.68 O ATOM 0 H ASP A 70 80.856 -7.761 9.102 1.00 0.25 H new ATOM 0 HA ASP A 70 80.470 -7.766 11.997 1.00 0.25 H new ATOM 0 HB2 ASP A 70 82.684 -8.744 10.095 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.537 -9.230 11.772 1.00 0.27 H new ATOM 1127 N VAL A 71 82.988 -6.029 10.791 1.00 0.21 N ATOM 1128 CA VAL A 71 83.979 -4.975 11.195 1.00 0.21 C ATOM 1129 C VAL A 71 83.239 -3.746 11.738 1.00 0.21 C ATOM 1130 O VAL A 71 83.702 -3.089 12.653 1.00 0.22 O ATOM 1131 CB VAL A 71 84.743 -4.635 9.903 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.728 -3.489 10.152 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.514 -5.871 9.434 1.00 0.28 C ATOM 0 H VAL A 71 83.018 -6.295 9.807 1.00 0.21 H new ATOM 0 HA VAL A 71 84.654 -5.310 11.983 1.00 0.21 H new ATOM 0 HB VAL A 71 84.029 -4.327 9.139 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.261 -3.260 9.229 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.182 -2.606 10.485 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.443 -3.784 10.920 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.057 -5.635 8.519 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.220 -6.174 10.207 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.815 -6.685 9.242 1.00 0.28 H new ATOM 1143 N ILE A 72 82.132 -3.408 11.138 1.00 0.21 N ATOM 1144 CA ILE A 72 81.382 -2.185 11.561 1.00 0.22 C ATOM 1145 C ILE A 72 80.498 -2.479 12.787 1.00 0.22 C ATOM 1146 O ILE A 72 80.128 -1.571 13.512 1.00 0.23 O ATOM 1147 CB ILE A 72 80.528 -1.797 10.342 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.446 -1.519 9.145 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.715 -0.532 10.653 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.601 -1.268 7.895 1.00 0.28 C ATOM 0 H ILE A 72 81.710 -3.927 10.368 1.00 0.21 H new ATOM 0 HA ILE A 72 82.052 -1.378 11.859 1.00 0.22 H new ATOM 0 HB ILE A 72 79.848 -2.617 10.108 1.00 0.24 H new ATOM 0 HG12 ILE A 72 82.075 -0.653 9.350 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.113 -2.366 8.981 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.113 -0.264 9.785 1.00 0.27 H new ATOM 0 HG22 ILE A 72 79.061 -0.720 11.504 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.393 0.287 10.891 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.256 -1.071 7.046 1.00 0.28 H new ATOM 0 HD12 ILE A 72 79.991 -2.147 7.686 1.00 0.28 H new ATOM 0 HD13 ILE A 72 79.953 -0.407 8.061 1.00 0.28 H new ATOM 1162 N GLY A 73 80.213 -3.736 13.068 1.00 0.21 N ATOM 1163 CA GLY A 73 79.423 -4.071 14.295 1.00 0.21 C ATOM 1164 C GLY A 73 77.942 -3.757 14.059 1.00 0.20 C ATOM 1165 O GLY A 73 77.266 -3.246 14.933 1.00 0.22 O ATOM 0 H GLY A 73 80.494 -4.536 12.501 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.546 -5.126 14.541 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.795 -3.499 15.145 1.00 0.21 H new ATOM 1169 N ILE A 74 77.465 -3.958 12.854 1.00 0.20 N ATOM 1170 CA ILE A 74 76.059 -3.559 12.516 1.00 0.21 C ATOM 1171 C ILE A 74 75.096 -4.730 12.748 1.00 0.21 C ATOM 1172 O ILE A 74 75.439 -5.879 12.538 1.00 0.23 O ATOM 1173 CB ILE A 74 76.088 -3.169 11.032 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.128 -2.060 10.784 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.702 -2.671 10.610 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.809 -0.818 11.631 1.00 0.77 C ATOM 0 H ILE A 74 77.988 -4.382 12.088 1.00 0.20 H new ATOM 0 HA ILE A 74 75.711 -2.737 13.142 1.00 0.21 H new ATOM 0 HB ILE A 74 76.363 -4.045 10.444 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.124 -2.427 11.029 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.138 -1.793 9.727 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.720 -2.393 9.556 1.00 0.27 H new ATOM 0 HG22 ILE A 74 73.969 -3.462 10.764 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.430 -1.802 11.209 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.555 -0.047 11.441 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.821 -0.441 11.366 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.824 -1.085 12.688 1.00 0.77 H new ATOM 1188 N LYS A 75 73.924 -4.445 13.267 1.00 0.22 N ATOM 1189 CA LYS A 75 72.960 -5.535 13.624 1.00 0.24 C ATOM 1190 C LYS A 75 71.598 -5.299 12.936 1.00 0.24 C ATOM 1191 O LYS A 75 71.303 -4.194 12.523 1.00 0.23 O ATOM 1192 CB LYS A 75 72.795 -5.461 15.152 1.00 0.29 C ATOM 1193 CG LYS A 75 74.160 -5.534 15.856 1.00 1.19 C ATOM 1194 CD LYS A 75 74.858 -6.853 15.517 1.00 1.71 C ATOM 1195 CE LYS A 75 74.041 -8.026 16.068 1.00 2.52 C ATOM 1196 NZ LYS A 75 75.034 -9.113 16.292 1.00 3.21 N ATOM 0 H LYS A 75 73.593 -3.500 13.459 1.00 0.22 H new ATOM 0 HA LYS A 75 73.323 -6.510 13.299 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.291 -4.533 15.423 1.00 0.29 H new ATOM 0 HB3 LYS A 75 72.161 -6.279 15.493 1.00 0.29 H new ATOM 0 HG2 LYS A 75 74.783 -4.694 15.547 1.00 1.19 H new ATOM 0 HG3 LYS A 75 74.026 -5.451 16.935 1.00 1.19 H new ATOM 0 HD2 LYS A 75 74.969 -6.950 14.437 1.00 1.71 H new ATOM 0 HD3 LYS A 75 75.861 -6.864 15.943 1.00 1.71 H new ATOM 0 HE2 LYS A 75 73.536 -7.755 16.995 1.00 2.52 H new ATOM 0 HE3 LYS A 75 73.269 -8.335 15.363 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 74.550 -9.953 16.670 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 75.494 -9.354 15.391 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 75.752 -8.792 16.972 1.00 3.21 H new ATOM 1210 N PRO A 76 70.787 -6.342 12.848 1.00 0.25 N ATOM 1211 CA PRO A 76 69.449 -6.195 12.216 1.00 0.26 C ATOM 1212 C PRO A 76 68.597 -5.173 12.979 1.00 0.24 C ATOM 1213 O PRO A 76 68.486 -5.226 14.190 1.00 0.23 O ATOM 1214 CB PRO A 76 68.830 -7.591 12.307 1.00 0.29 C ATOM 1215 CG PRO A 76 69.650 -8.337 13.312 1.00 0.50 C ATOM 1216 CD PRO A 76 71.021 -7.721 13.312 1.00 0.28 C ATOM 0 HA PRO A 76 69.512 -5.834 11.189 1.00 0.26 H new ATOM 0 HB2 PRO A 76 67.786 -7.536 12.617 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.849 -8.091 11.339 1.00 0.29 H new ATOM 0 HG2 PRO A 76 69.199 -8.271 14.302 1.00 0.50 H new ATOM 0 HG3 PRO A 76 69.704 -9.395 13.056 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.467 -7.738 14.306 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.700 -8.256 12.649 1.00 0.28 H new ATOM 1224 N GLY A 77 67.944 -4.287 12.265 1.00 0.24 N ATOM 1225 CA GLY A 77 67.031 -3.301 12.922 1.00 0.24 C ATOM 1226 C GLY A 77 67.778 -2.002 13.273 1.00 0.22 C ATOM 1227 O GLY A 77 67.194 -1.093 13.835 1.00 0.24 O ATOM 0 H GLY A 77 68.005 -4.205 11.250 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.196 -3.076 12.259 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.610 -3.738 13.827 1.00 0.24 H new ATOM 1231 N GLU A 78 69.055 -1.901 12.959 1.00 0.20 N ATOM 1232 CA GLU A 78 69.820 -0.656 13.291 1.00 0.20 C ATOM 1233 C GLU A 78 69.957 0.237 12.063 1.00 0.18 C ATOM 1234 O GLU A 78 70.133 -0.243 10.958 1.00 0.18 O ATOM 1235 CB GLU A 78 71.182 -1.137 13.780 1.00 0.20 C ATOM 1236 CG GLU A 78 71.099 -1.399 15.286 1.00 0.22 C ATOM 1237 CD GLU A 78 72.473 -1.804 15.838 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.302 -2.252 15.062 1.00 1.07 O ATOM 1239 OE2 GLU A 78 72.671 -1.657 17.033 1.00 1.11 O ATOM 0 H GLU A 78 69.595 -2.627 12.489 1.00 0.20 H new ATOM 0 HA GLU A 78 69.314 -0.056 14.047 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.473 -2.046 13.254 1.00 0.20 H new ATOM 0 HB3 GLU A 78 71.945 -0.388 13.568 1.00 0.20 H new ATOM 0 HG2 GLU A 78 70.744 -0.504 15.798 1.00 0.22 H new ATOM 0 HG3 GLU A 78 70.374 -2.188 15.484 1.00 0.22 H new ATOM 1246 N VAL A 79 69.744 1.517 12.237 1.00 0.19 N ATOM 1247 CA VAL A 79 69.694 2.441 11.064 1.00 0.18 C ATOM 1248 C VAL A 79 71.069 3.059 10.777 1.00 0.18 C ATOM 1249 O VAL A 79 71.723 3.595 11.650 1.00 0.19 O ATOM 1250 CB VAL A 79 68.674 3.522 11.457 1.00 0.20 C ATOM 1251 CG1 VAL A 79 69.158 4.291 12.702 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.489 4.495 10.286 1.00 0.21 C ATOM 0 H VAL A 79 69.602 1.963 13.143 1.00 0.19 H new ATOM 0 HA VAL A 79 69.409 1.919 10.150 1.00 0.18 H new ATOM 0 HB VAL A 79 67.723 3.044 11.692 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.425 5.053 12.967 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.278 3.597 13.534 1.00 0.24 H new ATOM 0 HG13 VAL A 79 70.114 4.768 12.486 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.766 5.263 10.562 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.444 4.964 10.048 1.00 0.21 H new ATOM 0 HG23 VAL A 79 68.125 3.951 9.415 1.00 0.21 H new ATOM 1262 N ILE A 80 71.453 3.059 9.528 1.00 0.17 N ATOM 1263 CA ILE A 80 72.722 3.720 9.107 1.00 0.17 C ATOM 1264 C ILE A 80 72.422 4.743 8.003 1.00 0.17 C ATOM 1265 O ILE A 80 71.437 4.627 7.295 1.00 0.17 O ATOM 1266 CB ILE A 80 73.619 2.587 8.584 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.939 1.885 7.403 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.871 1.576 9.706 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.889 0.848 6.800 1.00 0.18 C ATOM 0 H ILE A 80 70.931 2.621 8.769 1.00 0.17 H new ATOM 0 HA ILE A 80 73.207 4.258 9.921 1.00 0.17 H new ATOM 0 HB ILE A 80 74.568 3.006 8.251 1.00 0.17 H new ATOM 0 HG12 ILE A 80 72.021 1.401 7.736 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.657 2.617 6.646 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.507 0.772 9.335 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.365 2.074 10.540 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.921 1.161 10.042 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.401 0.352 5.961 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.795 1.344 6.451 1.00 0.18 H new ATOM 0 HD13 ILE A 80 74.149 0.109 7.558 1.00 0.18 H new ATOM 1281 N GLU A 81 73.304 5.684 7.806 1.00 0.18 N ATOM 1282 CA GLU A 81 73.136 6.664 6.695 1.00 0.18 C ATOM 1283 C GLU A 81 73.990 6.225 5.510 1.00 0.17 C ATOM 1284 O GLU A 81 75.102 5.760 5.684 1.00 0.19 O ATOM 1285 CB GLU A 81 73.637 7.992 7.263 1.00 0.20 C ATOM 1286 CG GLU A 81 73.428 9.105 6.235 1.00 0.21 C ATOM 1287 CD GLU A 81 74.025 10.408 6.768 1.00 0.23 C ATOM 1288 OE1 GLU A 81 75.226 10.441 6.985 1.00 1.04 O ATOM 1289 OE2 GLU A 81 73.273 11.351 6.950 1.00 1.14 O ATOM 0 H GLU A 81 74.142 5.817 8.372 1.00 0.18 H new ATOM 0 HA GLU A 81 72.107 6.743 6.345 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.103 8.229 8.183 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.694 7.914 7.518 1.00 0.20 H new ATOM 0 HG2 GLU A 81 73.900 8.836 5.290 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.365 9.235 6.034 1.00 0.21 H new ATOM 1296 N VAL A 82 73.413 6.212 4.337 1.00 0.16 N ATOM 1297 CA VAL A 82 74.108 5.619 3.160 1.00 0.17 C ATOM 1298 C VAL A 82 74.397 6.699 2.115 1.00 0.16 C ATOM 1299 O VAL A 82 73.519 7.438 1.710 1.00 0.17 O ATOM 1300 CB VAL A 82 73.131 4.568 2.618 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.718 3.900 1.374 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.888 3.500 3.687 1.00 0.19 C ATOM 0 H VAL A 82 72.485 6.589 4.144 1.00 0.16 H new ATOM 0 HA VAL A 82 75.071 5.178 3.419 1.00 0.17 H new ATOM 0 HB VAL A 82 72.192 5.057 2.359 1.00 0.18 H new ATOM 0 HG11 VAL A 82 73.018 3.155 0.996 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.896 4.653 0.606 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.659 3.415 1.632 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.194 2.752 3.303 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.833 3.020 3.943 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.464 3.966 4.577 1.00 0.19 H new ATOM 1312 N LEU A 83 75.621 6.765 1.669 1.00 0.16 N ATOM 1313 CA LEU A 83 76.008 7.766 0.628 1.00 0.17 C ATOM 1314 C LEU A 83 76.442 7.029 -0.641 1.00 0.15 C ATOM 1315 O LEU A 83 77.365 6.240 -0.599 1.00 0.12 O ATOM 1316 CB LEU A 83 77.222 8.524 1.203 1.00 0.21 C ATOM 1317 CG LEU A 83 76.951 9.025 2.629 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.191 9.750 3.150 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.759 9.978 2.619 1.00 0.20 C ATOM 0 H LEU A 83 76.381 6.162 1.984 1.00 0.16 H new ATOM 0 HA LEU A 83 75.183 8.436 0.384 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.093 7.869 1.206 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.462 9.370 0.559 1.00 0.21 H new ATOM 0 HG LEU A 83 76.725 8.180 3.279 1.00 0.20 H new ATOM 0 HD11 LEU A 83 78.005 10.108 4.162 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.037 9.063 3.158 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.417 10.597 2.502 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.568 10.333 3.632 1.00 0.20 H new ATOM 0 HD22 LEU A 83 75.978 10.828 1.972 1.00 0.20 H new ATOM 0 HD23 LEU A 83 74.878 9.455 2.246 1.00 0.20 H new ATOM 1331 N LEU A 84 75.903 7.390 -1.781 1.00 0.16 N ATOM 1332 CA LEU A 84 76.429 6.827 -3.064 1.00 0.15 C ATOM 1333 C LEU A 84 77.697 7.575 -3.475 1.00 0.15 C ATOM 1334 O LEU A 84 77.813 8.767 -3.266 1.00 0.17 O ATOM 1335 CB LEU A 84 75.320 7.026 -4.092 1.00 0.18 C ATOM 1336 CG LEU A 84 74.357 5.838 -4.029 1.00 0.21 C ATOM 1337 CD1 LEU A 84 72.944 6.274 -4.460 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.872 4.737 -4.962 1.00 0.28 C ATOM 0 H LEU A 84 75.127 8.045 -1.878 1.00 0.16 H new ATOM 0 HA LEU A 84 76.692 5.773 -2.973 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.785 7.954 -3.892 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.746 7.112 -5.092 1.00 0.18 H new ATOM 0 HG LEU A 84 74.304 5.463 -3.007 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.269 5.420 -4.411 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.586 7.058 -3.793 1.00 0.20 H new ATOM 0 HD13 LEU A 84 72.976 6.653 -5.482 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.195 3.884 -4.927 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.922 5.118 -5.982 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.866 4.424 -4.642 1.00 0.28 H new ATOM 1350 N LEU A 85 78.682 6.862 -3.964 1.00 0.14 N ATOM 1351 CA LEU A 85 79.992 7.501 -4.282 1.00 0.17 C ATOM 1352 C LEU A 85 80.231 7.538 -5.794 1.00 0.18 C ATOM 1353 O LEU A 85 80.920 8.412 -6.290 1.00 0.24 O ATOM 1354 CB LEU A 85 81.035 6.626 -3.586 1.00 0.22 C ATOM 1355 CG LEU A 85 81.273 7.153 -2.170 1.00 0.89 C ATOM 1356 CD1 LEU A 85 81.953 6.071 -1.329 1.00 1.13 C ATOM 1357 CD2 LEU A 85 82.171 8.392 -2.231 1.00 1.60 C ATOM 0 H LEU A 85 78.633 5.862 -4.156 1.00 0.14 H new ATOM 0 HA LEU A 85 80.034 8.536 -3.944 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.693 5.592 -3.549 1.00 0.22 H new ATOM 0 HB3 LEU A 85 81.967 6.633 -4.150 1.00 0.22 H new ATOM 0 HG LEU A 85 80.318 7.418 -1.716 1.00 0.89 H new ATOM 0 HD11 LEU A 85 82.122 6.447 -0.320 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.314 5.189 -1.285 1.00 1.13 H new ATOM 0 HD13 LEU A 85 82.908 5.805 -1.782 1.00 1.13 H new ATOM 0 HD21 LEU A 85 82.341 8.768 -1.222 1.00 1.60 H new ATOM 0 HD22 LEU A 85 83.126 8.127 -2.685 1.00 1.60 H new ATOM 0 HD23 LEU A 85 81.686 9.164 -2.829 1.00 1.60 H new ATOM 1369 N GLY A 86 79.722 6.568 -6.521 1.00 0.16 N ATOM 1370 CA GLY A 86 79.990 6.527 -8.000 1.00 0.20 C ATOM 1371 C GLY A 86 79.081 5.509 -8.697 1.00 0.17 C ATOM 1372 O GLY A 86 78.195 4.941 -8.094 1.00 0.15 O ATOM 0 H GLY A 86 79.140 5.812 -6.161 1.00 0.16 H new ATOM 0 HA2 GLY A 86 79.830 7.516 -8.429 1.00 0.20 H new ATOM 0 HA3 GLY A 86 81.034 6.268 -8.177 1.00 0.20 H new ATOM 1376 N HIS A 87 79.274 5.317 -9.984 1.00 0.20 N ATOM 1377 CA HIS A 87 78.393 4.386 -10.760 1.00 0.19 C ATOM 1378 C HIS A 87 79.200 3.647 -11.842 1.00 0.19 C ATOM 1379 O HIS A 87 80.171 4.165 -12.361 1.00 0.24 O ATOM 1380 CB HIS A 87 77.325 5.287 -11.405 1.00 0.28 C ATOM 1381 CG HIS A 87 77.972 6.317 -12.300 1.00 0.76 C ATOM 1382 ND1 HIS A 87 77.783 6.326 -13.673 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.807 7.372 -12.029 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.488 7.357 -14.172 1.00 1.57 C ATOM 1385 NE2 HIS A 87 79.131 8.028 -13.214 1.00 1.89 N ATOM 0 H HIS A 87 80.008 5.768 -10.531 1.00 0.20 H new ATOM 0 HA HIS A 87 77.952 3.620 -10.123 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.629 4.679 -11.984 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.744 5.785 -10.629 1.00 0.28 H new ATOM 0 HD2 HIS A 87 79.159 7.651 -11.047 1.00 1.72 H new ATOM 0 HE1 HIS A 87 78.529 7.611 -15.221 1.00 1.57 H new ATOM 0 HE2 HIS A 87 79.731 8.845 -13.326 1.00 1.89 H new ATOM 1393 N TYR A 88 78.752 2.476 -12.237 1.00 0.16 N ATOM 1394 CA TYR A 88 79.428 1.737 -13.346 1.00 0.19 C ATOM 1395 C TYR A 88 78.384 1.064 -14.245 1.00 0.21 C ATOM 1396 O TYR A 88 77.347 0.625 -13.780 1.00 0.17 O ATOM 1397 CB TYR A 88 80.300 0.689 -12.654 1.00 0.21 C ATOM 1398 CG TYR A 88 81.405 1.380 -11.890 1.00 0.32 C ATOM 1399 CD1 TYR A 88 82.598 1.791 -12.571 1.00 0.66 C ATOM 1400 CD2 TYR A 88 81.261 1.625 -10.482 1.00 0.59 C ATOM 1401 CE1 TYR A 88 83.648 2.448 -11.847 1.00 0.77 C ATOM 1402 CE2 TYR A 88 82.312 2.281 -9.758 1.00 0.70 C ATOM 1403 CZ TYR A 88 83.505 2.693 -10.440 1.00 0.65 C ATOM 1404 OH TYR A 88 84.515 3.324 -9.743 1.00 0.80 O ATOM 0 H TYR A 88 77.944 2.001 -11.835 1.00 0.16 H new ATOM 0 HA TYR A 88 80.017 2.396 -13.983 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.695 0.087 -11.976 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.724 0.008 -13.392 1.00 0.21 H new ATOM 0 HD1 TYR A 88 82.706 1.606 -13.630 1.00 0.66 H new ATOM 0 HD2 TYR A 88 80.363 1.316 -9.969 1.00 0.59 H new ATOM 0 HE1 TYR A 88 84.546 2.758 -12.361 1.00 0.77 H new ATOM 0 HE2 TYR A 88 82.205 2.465 -8.699 1.00 0.70 H new ATOM 0 HH TYR A 88 84.220 3.496 -8.824 1.00 0.80 H new