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+ -128:sc= 1.05 (180deg=-0.903) USER MOD Single : A 8 HIS : no HD1:sc= -1.45 K(o=-1.4,f=-2.7!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -8:sc= -2.05 USER MOD Single : A 12 HIS : no HD1:sc= -0.52 X(o=-0.52,f=-0.28) USER MOD Single : A 23 THR OG1 : rot 177:sc= -1.11 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -170:sc= -1.36 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -145:sc= -0.174 (180deg=-1.1) 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= -2.02 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1) 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= -0.0574 X(o=-0.057,f=-0.46) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 78.827 13.036 -3.325 1.00 0.40 N ATOM 33 CA VAL A 3 77.824 11.947 -3.191 1.00 0.33 C ATOM 34 C VAL A 3 76.753 12.091 -4.284 1.00 0.31 C ATOM 35 O VAL A 3 76.306 13.187 -4.578 1.00 0.37 O ATOM 36 CB VAL A 3 77.256 12.113 -1.759 1.00 0.36 C ATOM 37 CG1 VAL A 3 76.203 13.232 -1.673 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.625 10.793 -1.308 1.00 0.30 C ATOM 0 HA VAL A 3 78.240 10.948 -3.323 1.00 0.33 H new ATOM 0 HB VAL A 3 78.085 12.388 -1.107 1.00 0.36 H new ATOM 0 HG11 VAL A 3 75.836 13.308 -0.650 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.654 14.179 -1.968 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.372 13.002 -2.340 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.224 10.907 -0.301 1.00 0.30 H new ATOM 0 HG22 VAL A 3 75.819 10.523 -1.991 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.381 10.008 -1.311 1.00 0.30 H new ATOM 48 N LEU A 4 76.354 11.003 -4.881 1.00 0.26 N ATOM 49 CA LEU A 4 75.321 11.071 -5.960 1.00 0.28 C ATOM 50 C LEU A 4 73.906 11.021 -5.357 1.00 0.28 C ATOM 51 O LEU A 4 72.952 11.457 -5.972 1.00 0.30 O ATOM 52 CB LEU A 4 75.584 9.849 -6.862 1.00 0.27 C ATOM 53 CG LEU A 4 77.068 9.780 -7.296 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.249 8.645 -8.306 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.512 11.105 -7.938 1.00 0.37 C ATOM 0 H LEU A 4 76.698 10.066 -4.670 1.00 0.26 H new ATOM 0 HA LEU A 4 75.383 12.001 -6.524 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.316 8.937 -6.329 1.00 0.27 H new ATOM 0 HB3 LEU A 4 74.947 9.902 -7.745 1.00 0.27 H new ATOM 0 HG LEU A 4 77.680 9.598 -6.412 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.294 8.594 -8.613 1.00 0.36 H new ATOM 0 HD12 LEU A 4 76.960 7.700 -7.847 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.623 8.831 -9.179 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.558 11.033 -8.235 1.00 0.37 H new ATOM 0 HD22 LEU A 4 76.899 11.307 -8.816 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.394 11.915 -7.219 1.00 0.37 H new ATOM 67 N ALA A 5 73.779 10.566 -4.127 1.00 0.25 N ATOM 68 CA ALA A 5 72.449 10.571 -3.442 1.00 0.25 C ATOM 69 C ALA A 5 72.635 10.184 -1.974 1.00 0.23 C ATOM 70 O ALA A 5 73.602 9.534 -1.621 1.00 0.25 O ATOM 71 CB ALA A 5 71.602 9.524 -4.171 1.00 0.26 C ATOM 0 H ALA A 5 74.546 10.191 -3.570 1.00 0.25 H new ATOM 0 HA ALA A 5 71.972 11.551 -3.469 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.612 9.477 -3.717 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.507 9.800 -5.221 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.083 8.549 -4.094 1.00 0.26 H new ATOM 77 N LYS A 6 71.749 10.621 -1.115 1.00 0.22 N ATOM 78 CA LYS A 6 71.903 10.332 0.344 1.00 0.22 C ATOM 79 C LYS A 6 70.572 9.852 0.928 1.00 0.21 C ATOM 80 O LYS A 6 69.558 10.513 0.791 1.00 0.23 O ATOM 81 CB LYS A 6 72.308 11.673 0.955 1.00 0.24 C ATOM 82 CG LYS A 6 72.648 11.487 2.433 1.00 1.40 C ATOM 83 CD LYS A 6 73.119 12.820 3.017 1.00 1.50 C ATOM 84 CE LYS A 6 74.083 12.557 4.174 1.00 1.79 C ATOM 85 NZ LYS A 6 73.769 13.607 5.183 1.00 2.30 N ATOM 0 H LYS A 6 70.923 11.167 -1.362 1.00 0.22 H new ATOM 0 HA LYS A 6 72.634 9.549 0.545 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.168 12.080 0.423 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.496 12.392 0.847 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.774 11.128 2.976 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.426 10.732 2.546 1.00 1.40 H new ATOM 0 HD2 LYS A 6 73.612 13.413 2.247 1.00 1.50 H new ATOM 0 HD3 LYS A 6 72.264 13.399 3.366 1.00 1.50 H new ATOM 0 HE2 LYS A 6 73.941 11.558 4.587 1.00 1.79 H new ATOM 0 HE3 LYS A 6 75.120 12.622 3.846 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 74.644 14.100 5.455 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 73.099 14.290 4.776 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 73.345 13.165 6.023 1.00 2.30 H new ATOM 99 N PHE A 7 70.564 8.703 1.565 1.00 0.19 N ATOM 100 CA PHE A 7 69.290 8.175 2.144 1.00 0.19 C ATOM 101 C PHE A 7 69.569 7.307 3.379 1.00 0.17 C ATOM 102 O PHE A 7 70.688 6.902 3.618 1.00 0.16 O ATOM 103 CB PHE A 7 68.648 7.362 1.009 1.00 0.20 C ATOM 104 CG PHE A 7 69.523 6.187 0.622 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.744 6.403 -0.102 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.125 4.853 0.973 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.566 5.286 -0.471 1.00 0.19 C ATOM 108 CE2 PHE A 7 69.948 3.738 0.603 1.00 0.20 C ATOM 109 CZ PHE A 7 71.167 3.953 -0.119 1.00 0.20 C ATOM 0 H PHE A 7 71.383 8.112 1.707 1.00 0.19 H new ATOM 0 HA PHE A 7 68.629 8.971 2.489 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.668 7.003 1.323 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.489 8.003 0.142 1.00 0.20 H new ATOM 0 HD1 PHE A 7 71.044 7.406 -0.369 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.206 4.689 1.516 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.485 5.449 -1.014 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.649 2.735 0.869 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.785 3.113 -0.398 1.00 0.20 H new ATOM 119 N HIS A 8 68.566 7.077 4.191 1.00 0.18 N ATOM 120 CA HIS A 8 68.770 6.297 5.452 1.00 0.18 C ATOM 121 C HIS A 8 68.032 4.956 5.369 1.00 0.17 C ATOM 122 O HIS A 8 66.903 4.886 4.917 1.00 0.18 O ATOM 123 CB HIS A 8 68.166 7.166 6.556 1.00 0.20 C ATOM 124 CG HIS A 8 68.928 8.460 6.654 1.00 0.77 C ATOM 125 ND1 HIS A 8 68.579 9.579 5.916 1.00 1.41 N ATOM 126 CD2 HIS A 8 70.019 8.828 7.402 1.00 1.61 C ATOM 127 CE1 HIS A 8 69.446 10.559 6.233 1.00 1.81 C ATOM 128 NE2 HIS A 8 70.344 10.154 7.135 1.00 1.99 N ATOM 0 H HIS A 8 67.610 7.397 4.034 1.00 0.18 H new ATOM 0 HA HIS A 8 69.821 6.074 5.633 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.116 7.366 6.342 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.202 6.638 7.509 1.00 0.20 H new ATOM 0 HD2 HIS A 8 70.545 8.186 8.093 1.00 1.61 H new ATOM 0 HE1 HIS A 8 69.419 11.552 5.809 1.00 1.81 H new ATOM 0 HE2 HIS A 8 71.104 10.700 7.541 1.00 1.99 H new ATOM 136 N THR A 9 68.652 3.903 5.839 1.00 0.16 N ATOM 137 CA THR A 9 67.990 2.562 5.838 1.00 0.17 C ATOM 138 C THR A 9 68.528 1.721 7.006 1.00 0.16 C ATOM 139 O THR A 9 69.593 1.998 7.523 1.00 0.15 O ATOM 140 CB THR A 9 68.332 1.939 4.468 1.00 0.17 C ATOM 141 OG1 THR A 9 67.582 0.747 4.297 1.00 0.18 O ATOM 142 CG2 THR A 9 69.830 1.619 4.369 1.00 0.17 C ATOM 0 H THR A 9 69.596 3.915 6.226 1.00 0.16 H new ATOM 0 HA THR A 9 66.910 2.620 5.973 1.00 0.17 H new ATOM 0 HB THR A 9 68.081 2.656 3.687 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.795 0.349 3.427 1.00 0.18 H new ATOM 0 HG21 THR A 9 70.045 1.181 3.394 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.407 2.536 4.490 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.104 0.912 5.153 1.00 0.17 H new ATOM 150 N THR A 10 67.835 0.673 7.386 1.00 0.17 N ATOM 151 CA THR A 10 68.355 -0.210 8.477 1.00 0.17 C ATOM 152 C THR A 10 68.759 -1.577 7.901 1.00 0.17 C ATOM 153 O THR A 10 68.358 -1.940 6.810 1.00 0.17 O ATOM 154 CB THR A 10 67.213 -0.316 9.523 1.00 0.17 C ATOM 155 OG1 THR A 10 67.740 -0.805 10.744 1.00 0.17 O ATOM 156 CG2 THR A 10 66.096 -1.261 9.067 1.00 0.17 C ATOM 0 H THR A 10 66.938 0.393 6.990 1.00 0.17 H new ATOM 0 HA THR A 10 69.252 0.192 8.947 1.00 0.17 H new ATOM 0 HB THR A 10 66.790 0.681 9.645 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.668 -1.090 10.609 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.320 -1.303 9.831 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.667 -0.894 8.134 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.505 -2.259 8.911 1.00 0.17 H new ATOM 164 N VAL A 11 69.604 -2.291 8.598 1.00 0.17 N ATOM 165 CA VAL A 11 70.109 -3.594 8.066 1.00 0.17 C ATOM 166 C VAL A 11 69.065 -4.693 8.272 1.00 0.17 C ATOM 167 O VAL A 11 68.521 -4.851 9.346 1.00 0.17 O ATOM 168 CB VAL A 11 71.382 -3.901 8.869 1.00 0.21 C ATOM 169 CG1 VAL A 11 72.000 -5.216 8.374 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.398 -2.761 8.691 1.00 0.49 C ATOM 0 H VAL A 11 69.967 -2.029 9.514 1.00 0.17 H new ATOM 0 HA VAL A 11 70.311 -3.545 6.996 1.00 0.17 H new ATOM 0 HB VAL A 11 71.124 -3.994 9.924 1.00 0.21 H new ATOM 0 HG11 VAL A 11 72.903 -5.431 8.945 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.284 -6.027 8.507 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.252 -5.124 7.318 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.299 -2.984 9.263 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.653 -2.662 7.636 1.00 0.49 H new ATOM 0 HG23 VAL A 11 71.963 -1.827 9.048 1.00 0.49 H new ATOM 180 N HIS A 12 68.861 -5.504 7.269 1.00 0.21 N ATOM 181 CA HIS A 12 67.946 -6.675 7.403 1.00 0.25 C ATOM 182 C HIS A 12 68.739 -7.969 7.259 1.00 0.25 C ATOM 183 O HIS A 12 69.927 -7.959 6.996 1.00 0.25 O ATOM 184 CB HIS A 12 66.922 -6.550 6.276 1.00 0.26 C ATOM 185 CG HIS A 12 65.796 -5.663 6.726 1.00 0.31 C ATOM 186 ND1 HIS A 12 65.991 -4.331 7.053 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.458 -5.903 6.918 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.800 -3.824 7.422 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.831 -4.741 7.356 1.00 0.56 N ATOM 0 H HIS A 12 69.295 -5.404 6.351 1.00 0.21 H new ATOM 0 HA HIS A 12 67.457 -6.694 8.377 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.393 -6.135 5.385 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.539 -7.534 6.006 1.00 0.26 H new ATOM 0 HD2 HIS A 12 63.967 -6.851 6.754 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.647 -2.801 7.733 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.844 -4.616 7.579 1.00 0.56 H new ATOM 197 N ARG A 13 68.104 -9.084 7.514 1.00 0.29 N ATOM 198 CA ARG A 13 68.814 -10.411 7.490 1.00 0.32 C ATOM 199 C ARG A 13 69.702 -10.568 6.239 1.00 0.29 C ATOM 200 O ARG A 13 69.504 -9.912 5.238 1.00 0.24 O ATOM 201 CB ARG A 13 67.686 -11.443 7.460 1.00 0.36 C ATOM 202 CG ARG A 13 66.964 -11.452 8.810 1.00 0.72 C ATOM 203 CD ARG A 13 65.914 -12.569 8.828 1.00 1.16 C ATOM 204 NE ARG A 13 64.972 -12.247 7.707 1.00 1.81 N ATOM 205 CZ ARG A 13 64.173 -13.163 7.186 1.00 2.39 C ATOM 206 NH1 ARG A 13 64.159 -14.405 7.620 1.00 2.96 N ATOM 207 NH2 ARG A 13 63.373 -12.824 6.211 1.00 2.76 N ATOM 0 H ARG A 13 67.111 -9.138 7.741 1.00 0.29 H new ATOM 0 HA ARG A 13 69.480 -10.521 8.346 1.00 0.32 H new ATOM 0 HB2 ARG A 13 66.983 -11.206 6.662 1.00 0.36 H new ATOM 0 HB3 ARG A 13 68.090 -12.432 7.245 1.00 0.36 H new ATOM 0 HG2 ARG A 13 67.682 -11.602 9.616 1.00 0.72 H new ATOM 0 HG3 ARG A 13 66.486 -10.488 8.984 1.00 0.72 H new ATOM 0 HD2 ARG A 13 66.377 -13.546 8.684 1.00 1.16 H new ATOM 0 HD3 ARG A 13 65.391 -12.601 9.784 1.00 1.16 H new ATOM 0 HE ARG A 13 64.947 -11.297 7.337 1.00 1.81 H new ATOM 0 HH11 ARG A 13 64.777 -14.686 8.381 1.00 2.96 H new ATOM 0 HH12 ARG A 13 63.530 -15.087 7.195 1.00 2.96 H new ATOM 0 HH21 ARG A 13 63.371 -11.865 5.863 1.00 2.76 H new ATOM 0 HH22 ARG A 13 62.750 -13.518 5.798 1.00 2.76 H new ATOM 221 N ILE A 14 70.743 -11.366 6.345 1.00 0.34 N ATOM 222 CA ILE A 14 71.750 -11.533 5.229 1.00 0.34 C ATOM 223 C ILE A 14 72.495 -10.221 4.902 1.00 0.28 C ATOM 224 O ILE A 14 73.244 -10.174 3.942 1.00 0.29 O ATOM 225 CB ILE A 14 70.970 -12.012 3.987 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.146 -13.259 4.325 1.00 0.31 C ATOM 227 CG2 ILE A 14 71.959 -12.359 2.874 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.152 -13.528 3.193 1.00 0.36 C ATOM 0 H ILE A 14 70.945 -11.923 7.175 1.00 0.34 H new ATOM 0 HA ILE A 14 72.511 -12.251 5.537 1.00 0.34 H new ATOM 0 HB ILE A 14 70.300 -11.216 3.663 1.00 0.36 H new ATOM 0 HG12 ILE A 14 70.803 -14.118 4.460 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.614 -13.114 5.265 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.412 -12.698 1.994 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.545 -11.476 2.619 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.626 -13.151 3.214 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.563 -14.414 3.429 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.488 -12.671 3.080 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.696 -13.691 2.262 1.00 0.36 H new ATOM 240 N GLY A 15 72.318 -9.168 5.676 1.00 0.24 N ATOM 241 CA GLY A 15 73.040 -7.890 5.382 1.00 0.20 C ATOM 242 C GLY A 15 72.360 -7.147 4.221 1.00 0.17 C ATOM 243 O GLY A 15 72.966 -6.297 3.591 1.00 0.15 O ATOM 0 H GLY A 15 71.707 -9.143 6.493 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.051 -7.258 6.270 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.079 -8.101 5.128 1.00 0.20 H new ATOM 247 N ARG A 16 71.140 -7.509 3.881 1.00 0.18 N ATOM 248 CA ARG A 16 70.461 -6.877 2.709 1.00 0.18 C ATOM 249 C ARG A 16 69.770 -5.576 3.129 1.00 0.19 C ATOM 250 O ARG A 16 69.141 -5.514 4.168 1.00 0.24 O ATOM 251 CB ARG A 16 69.431 -7.913 2.251 1.00 0.26 C ATOM 252 CG ARG A 16 68.691 -7.405 1.011 1.00 0.26 C ATOM 253 CD ARG A 16 67.591 -8.403 0.631 1.00 0.76 C ATOM 254 NE ARG A 16 68.305 -9.653 0.211 1.00 0.91 N ATOM 255 CZ ARG A 16 67.666 -10.657 -0.367 1.00 1.31 C ATOM 256 NH1 ARG A 16 66.373 -10.616 -0.606 1.00 1.96 N ATOM 257 NH2 ARG A 16 68.338 -11.722 -0.709 1.00 1.41 N ATOM 0 H ARG A 16 70.589 -8.216 4.368 1.00 0.18 H new ATOM 0 HA ARG A 16 71.161 -6.615 1.915 1.00 0.18 H new ATOM 0 HB2 ARG A 16 69.928 -8.857 2.027 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.720 -8.110 3.053 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.256 -6.425 1.209 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.388 -7.282 0.182 1.00 0.26 H new ATOM 0 HD2 ARG A 16 66.928 -8.595 1.475 1.00 0.76 H new ATOM 0 HD3 ARG A 16 66.972 -8.015 -0.178 1.00 0.76 H new ATOM 0 HE ARG A 16 69.309 -9.731 0.375 1.00 0.91 H new ATOM 0 HH11 ARG A 16 65.832 -9.792 -0.344 1.00 1.96 H new ATOM 0 HH12 ARG A 16 65.912 -11.408 -1.053 1.00 1.96 H new ATOM 0 HH21 ARG A 16 69.341 -11.772 -0.530 1.00 1.41 H new ATOM 0 HH22 ARG A 16 67.860 -12.505 -1.156 1.00 1.41 H new ATOM 271 N ILE A 17 69.773 -4.592 2.266 1.00 0.18 N ATOM 272 CA ILE A 17 68.979 -3.350 2.527 1.00 0.21 C ATOM 273 C ILE A 17 68.180 -2.981 1.271 1.00 0.19 C ATOM 274 O ILE A 17 68.589 -3.287 0.168 1.00 0.15 O ATOM 275 CB ILE A 17 70.007 -2.261 2.878 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.964 -2.031 1.700 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.813 -2.693 4.106 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.780 -0.752 1.931 1.00 0.30 C ATOM 0 H ILE A 17 70.293 -4.594 1.388 1.00 0.18 H new ATOM 0 HA ILE A 17 68.261 -3.476 3.337 1.00 0.21 H new ATOM 0 HB ILE A 17 69.476 -1.334 3.092 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.633 -2.885 1.592 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.399 -1.949 0.772 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.541 -1.920 4.354 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.139 -2.841 4.950 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.333 -3.626 3.890 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.457 -0.595 1.091 1.00 0.30 H new ATOM 0 HD12 ILE A 17 71.105 0.100 2.017 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.359 -0.850 2.850 1.00 0.30 H new ATOM 290 N ILE A 18 67.088 -2.272 1.428 1.00 0.23 N ATOM 291 CA ILE A 18 66.309 -1.819 0.232 1.00 0.20 C ATOM 292 C ILE A 18 66.295 -0.295 0.163 1.00 0.20 C ATOM 293 O ILE A 18 65.899 0.369 1.105 1.00 0.22 O ATOM 294 CB ILE A 18 64.882 -2.351 0.427 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.892 -3.878 0.637 1.00 0.25 C ATOM 296 CG2 ILE A 18 64.042 -2.010 -0.810 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.559 -4.582 -0.552 1.00 0.24 C ATOM 0 H ILE A 18 66.703 -1.988 2.329 1.00 0.23 H new ATOM 0 HA ILE A 18 66.749 -2.187 -0.695 1.00 0.20 H new ATOM 0 HB ILE A 18 64.451 -1.883 1.312 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.425 -4.121 1.556 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.871 -4.241 0.756 1.00 0.25 H new ATOM 0 HG21 ILE A 18 63.028 -2.386 -0.676 1.00 0.22 H new ATOM 0 HG22 ILE A 18 64.013 -0.929 -0.944 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.487 -2.473 -1.691 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.556 -5.659 -0.385 1.00 0.24 H new ATOM 0 HD12 ILE A 18 65.008 -4.355 -1.465 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.587 -4.233 -0.652 1.00 0.24 H new ATOM 309 N ILE A 19 66.646 0.256 -0.971 1.00 0.17 N ATOM 310 CA ILE A 19 66.567 1.740 -1.139 1.00 0.17 C ATOM 311 C ILE A 19 65.116 2.143 -1.438 1.00 0.19 C ATOM 312 O ILE A 19 64.440 1.455 -2.172 1.00 0.17 O ATOM 313 CB ILE A 19 67.489 2.073 -2.324 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.918 1.593 -1.983 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.473 3.593 -2.556 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.924 2.024 -3.056 1.00 0.23 C ATOM 0 H ILE A 19 66.983 -0.256 -1.786 1.00 0.17 H new ATOM 0 HA ILE A 19 66.875 2.279 -0.243 1.00 0.17 H new ATOM 0 HB ILE A 19 67.149 1.575 -3.232 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.219 1.998 -1.017 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.926 0.507 -1.890 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.124 3.840 -3.395 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.456 3.916 -2.778 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.828 4.102 -1.660 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.919 1.670 -2.785 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.636 1.597 -4.017 1.00 0.23 H new ATOM 0 HD13 ILE A 19 69.933 3.111 -3.130 1.00 0.23 H new ATOM 328 N PRO A 20 64.700 3.294 -0.947 1.00 0.24 N ATOM 329 CA PRO A 20 63.344 3.803 -1.291 1.00 0.28 C ATOM 330 C PRO A 20 63.258 4.067 -2.787 1.00 0.26 C ATOM 331 O PRO A 20 64.219 4.487 -3.404 1.00 0.25 O ATOM 332 CB PRO A 20 63.245 5.104 -0.506 1.00 0.34 C ATOM 333 CG PRO A 20 64.669 5.510 -0.324 1.00 0.35 C ATOM 334 CD PRO A 20 65.403 4.232 -0.052 1.00 0.29 C ATOM 0 HA PRO A 20 62.542 3.106 -1.050 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.679 5.859 -1.051 1.00 0.34 H new ATOM 0 HB3 PRO A 20 62.744 4.958 0.451 1.00 0.34 H new ATOM 0 HG2 PRO A 20 65.055 6.006 -1.215 1.00 0.35 H new ATOM 0 HG3 PRO A 20 64.777 6.211 0.503 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.464 4.309 -0.290 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.332 3.933 0.994 1.00 0.29 H new ATOM 342 N ALA A 21 62.120 3.808 -3.375 1.00 0.28 N ATOM 343 CA ALA A 21 61.965 4.011 -4.850 1.00 0.29 C ATOM 344 C ALA A 21 62.281 5.465 -5.228 1.00 0.31 C ATOM 345 O ALA A 21 62.679 5.750 -6.343 1.00 0.32 O ATOM 346 CB ALA A 21 60.500 3.689 -5.155 1.00 0.33 C ATOM 0 H ALA A 21 61.287 3.463 -2.898 1.00 0.28 H new ATOM 0 HA ALA A 21 62.647 3.378 -5.418 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.314 3.817 -6.221 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.287 2.659 -4.870 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.854 4.362 -4.591 1.00 0.33 H new ATOM 352 N GLY A 22 62.103 6.382 -4.305 1.00 0.34 N ATOM 353 CA GLY A 22 62.381 7.820 -4.610 1.00 0.38 C ATOM 354 C GLY A 22 63.870 8.016 -4.897 1.00 0.37 C ATOM 355 O GLY A 22 64.242 8.703 -5.832 1.00 0.39 O ATOM 0 H GLY A 22 61.778 6.196 -3.356 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.792 8.138 -5.470 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.079 8.444 -3.768 1.00 0.38 H new ATOM 359 N THR A 23 64.725 7.421 -4.099 1.00 0.34 N ATOM 360 CA THR A 23 66.197 7.580 -4.322 1.00 0.34 C ATOM 361 C THR A 23 66.619 6.843 -5.593 1.00 0.30 C ATOM 362 O THR A 23 67.410 7.345 -6.369 1.00 0.32 O ATOM 363 CB THR A 23 66.872 6.967 -3.092 1.00 0.34 C ATOM 364 OG1 THR A 23 66.394 7.616 -1.922 1.00 0.39 O ATOM 365 CG2 THR A 23 68.387 7.154 -3.197 1.00 0.37 C ATOM 0 H THR A 23 64.468 6.834 -3.305 1.00 0.34 H new ATOM 0 HA THR A 23 66.478 8.625 -4.450 1.00 0.34 H new ATOM 0 HB THR A 23 66.641 5.903 -3.039 1.00 0.34 H new ATOM 0 HG1 THR A 23 66.786 7.193 -1.130 1.00 0.39 H new ATOM 0 HG21 THR A 23 68.869 6.718 -2.322 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.753 6.660 -4.097 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.620 8.218 -3.247 1.00 0.37 H new ATOM 373 N ARG A 24 66.047 5.686 -5.853 1.00 0.26 N ATOM 374 CA ARG A 24 66.370 4.948 -7.134 1.00 0.25 C ATOM 375 C ARG A 24 66.080 5.859 -8.333 1.00 0.28 C ATOM 376 O ARG A 24 66.807 5.878 -9.306 1.00 0.29 O ATOM 377 CB ARG A 24 65.443 3.720 -7.224 1.00 0.25 C ATOM 378 CG ARG A 24 65.357 2.961 -5.895 1.00 0.23 C ATOM 379 CD ARG A 24 65.023 1.496 -6.168 1.00 0.24 C ATOM 380 NE ARG A 24 64.245 1.048 -4.973 1.00 0.27 N ATOM 381 CZ ARG A 24 63.404 0.030 -5.028 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.204 -0.653 -6.133 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.753 -0.305 -3.949 1.00 0.39 N ATOM 0 H ARG A 24 65.376 5.220 -5.243 1.00 0.26 H new ATOM 0 HA ARG A 24 67.419 4.650 -7.141 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.445 4.041 -7.522 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.807 3.048 -8.001 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.303 3.036 -5.359 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.593 3.407 -5.258 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.439 1.388 -7.082 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.928 0.902 -6.295 1.00 0.24 H new ATOM 0 HE ARG A 24 64.367 1.542 -4.089 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.706 -0.403 -6.985 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.547 -1.433 -6.138 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.898 0.216 -3.084 1.00 0.39 H new ATOM 0 HH22 ARG A 24 62.099 -1.088 -3.970 1.00 0.39 H new ATOM 397 N LYS A 25 64.983 6.570 -8.270 1.00 0.32 N ATOM 398 CA LYS A 25 64.574 7.451 -9.407 1.00 0.37 C ATOM 399 C LYS A 25 65.579 8.590 -9.581 1.00 0.38 C ATOM 400 O LYS A 25 66.080 8.827 -10.664 1.00 0.40 O ATOM 401 CB LYS A 25 63.198 8.001 -9.005 1.00 0.42 C ATOM 402 CG LYS A 25 62.646 8.891 -10.118 1.00 1.08 C ATOM 403 CD LYS A 25 61.285 9.447 -9.698 1.00 1.68 C ATOM 404 CE LYS A 25 60.663 10.213 -10.869 1.00 2.42 C ATOM 405 NZ LYS A 25 59.743 11.200 -10.236 1.00 2.97 N ATOM 0 H LYS A 25 64.347 6.578 -7.472 1.00 0.32 H new ATOM 0 HA LYS A 25 64.538 6.914 -10.355 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.510 7.178 -8.812 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.281 8.571 -8.080 1.00 0.42 H new ATOM 0 HG2 LYS A 25 63.338 9.708 -10.321 1.00 1.08 H new ATOM 0 HG3 LYS A 25 62.548 8.319 -11.041 1.00 1.08 H new ATOM 0 HD2 LYS A 25 60.627 8.634 -9.391 1.00 1.68 H new ATOM 0 HD3 LYS A 25 61.399 10.107 -8.838 1.00 1.68 H new ATOM 0 HE2 LYS A 25 61.427 10.711 -11.466 1.00 2.42 H new ATOM 0 HE3 LYS A 25 60.123 9.542 -11.538 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 59.278 11.765 -10.975 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 59.023 10.696 -9.680 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 60.286 11.829 -9.610 1.00 2.97 H new ATOM 419 N PHE A 26 65.894 9.275 -8.513 1.00 0.38 N ATOM 420 CA PHE A 26 66.880 10.406 -8.589 1.00 0.42 C ATOM 421 C PHE A 26 68.221 9.917 -9.149 1.00 0.42 C ATOM 422 O PHE A 26 68.914 10.640 -9.841 1.00 0.46 O ATOM 423 CB PHE A 26 67.043 10.893 -7.144 1.00 0.43 C ATOM 424 CG PHE A 26 67.970 12.085 -7.103 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.494 13.379 -7.500 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.328 11.921 -6.669 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.377 14.510 -7.462 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.210 13.051 -6.632 1.00 0.64 C ATOM 429 CZ PHE A 26 69.735 14.346 -7.028 1.00 0.67 C ATOM 0 H PHE A 26 65.511 9.102 -7.584 1.00 0.38 H new ATOM 0 HA PHE A 26 66.538 11.201 -9.251 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.071 11.163 -6.731 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.441 10.090 -6.524 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.472 13.502 -7.827 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.686 10.947 -6.370 1.00 0.56 H new ATOM 0 HE1 PHE A 26 68.019 15.484 -7.760 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.232 12.927 -6.306 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.399 15.197 -6.999 1.00 0.67 H new ATOM 439 N TYR A 27 68.619 8.729 -8.781 1.00 0.39 N ATOM 440 CA TYR A 27 69.959 8.209 -9.203 1.00 0.42 C ATOM 441 C TYR A 27 69.876 7.493 -10.565 1.00 0.35 C ATOM 442 O TYR A 27 70.887 7.277 -11.211 1.00 0.37 O ATOM 443 CB TYR A 27 70.337 7.227 -8.090 1.00 0.46 C ATOM 444 CG TYR A 27 71.760 6.744 -8.251 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.098 5.795 -9.274 1.00 0.95 C ATOM 446 CD2 TYR A 27 72.769 7.207 -7.345 1.00 0.85 C ATOM 447 CE1 TYR A 27 73.443 5.313 -9.389 1.00 1.16 C ATOM 448 CE2 TYR A 27 74.116 6.729 -7.466 1.00 1.10 C ATOM 449 CZ TYR A 27 74.451 5.781 -8.486 1.00 1.18 C ATOM 450 OH TYR A 27 75.742 5.314 -8.588 1.00 1.44 O ATOM 0 H TYR A 27 68.073 8.090 -8.203 1.00 0.39 H new ATOM 0 HA TYR A 27 70.694 9.004 -9.333 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.221 7.710 -7.120 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.657 6.376 -8.105 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.339 5.444 -9.957 1.00 0.95 H new ATOM 0 HD2 TYR A 27 72.515 7.916 -6.571 1.00 0.85 H new ATOM 0 HE1 TYR A 27 73.696 4.597 -10.157 1.00 1.16 H new ATOM 0 HE2 TYR A 27 74.878 7.084 -6.788 1.00 1.10 H new ATOM 0 HH TYR A 27 76.257 5.604 -7.807 1.00 1.44 H new ATOM 460 N GLY A 28 68.687 7.171 -11.036 1.00 0.31 N ATOM 461 CA GLY A 28 68.560 6.519 -12.377 1.00 0.29 C ATOM 462 C GLY A 28 68.982 5.049 -12.275 1.00 0.26 C ATOM 463 O GLY A 28 69.724 4.554 -13.105 1.00 0.27 O ATOM 0 H GLY A 28 67.806 7.333 -10.548 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.531 6.589 -12.731 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.184 7.037 -13.105 1.00 0.29 H new ATOM 467 N ILE A 29 68.570 4.367 -11.230 1.00 0.24 N ATOM 468 CA ILE A 29 69.009 2.947 -11.029 1.00 0.23 C ATOM 469 C ILE A 29 68.037 1.980 -11.710 1.00 0.20 C ATOM 470 O ILE A 29 66.854 1.972 -11.427 1.00 0.22 O ATOM 471 CB ILE A 29 69.009 2.723 -9.507 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.973 3.711 -8.849 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.459 1.291 -9.191 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.903 3.588 -7.323 1.00 0.42 C ATOM 0 H ILE A 29 67.949 4.733 -10.508 1.00 0.24 H new ATOM 0 HA ILE A 29 69.992 2.767 -11.464 1.00 0.23 H new ATOM 0 HB ILE A 29 68.001 2.878 -9.122 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.990 3.518 -9.190 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.723 4.728 -9.150 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.457 1.139 -8.112 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.775 0.583 -9.659 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.466 1.132 -9.578 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.595 4.297 -6.869 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.889 3.804 -6.987 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.176 2.575 -7.027 1.00 0.42 H new ATOM 486 N GLU A 30 68.570 1.059 -12.470 1.00 0.17 N ATOM 487 CA GLU A 30 67.738 -0.050 -13.022 1.00 0.18 C ATOM 488 C GLU A 30 68.407 -1.387 -12.697 1.00 0.17 C ATOM 489 O GLU A 30 69.591 -1.435 -12.411 1.00 0.18 O ATOM 490 CB GLU A 30 67.700 0.184 -14.533 1.00 0.22 C ATOM 491 CG GLU A 30 67.050 1.542 -14.828 1.00 1.06 C ATOM 492 CD GLU A 30 66.935 1.763 -16.345 1.00 1.14 C ATOM 493 OE1 GLU A 30 67.634 1.092 -17.091 1.00 1.82 O ATOM 494 OE2 GLU A 30 66.143 2.606 -16.736 1.00 1.37 O ATOM 0 H GLU A 30 69.555 1.028 -12.734 1.00 0.17 H new ATOM 0 HA GLU A 30 66.733 -0.073 -12.602 1.00 0.18 H new ATOM 0 HB2 GLU A 30 68.711 0.157 -14.941 1.00 0.22 H new ATOM 0 HB3 GLU A 30 67.138 -0.613 -15.020 1.00 0.22 H new ATOM 0 HG2 GLU A 30 66.061 1.586 -14.372 1.00 1.06 H new ATOM 0 HG3 GLU A 30 67.643 2.341 -14.382 1.00 1.06 H new ATOM 501 N GLN A 31 67.663 -2.468 -12.711 1.00 0.20 N ATOM 502 CA GLN A 31 68.263 -3.800 -12.366 1.00 0.20 C ATOM 503 C GLN A 31 69.440 -4.115 -13.294 1.00 0.19 C ATOM 504 O GLN A 31 69.384 -3.885 -14.488 1.00 0.20 O ATOM 505 CB GLN A 31 67.146 -4.821 -12.570 1.00 0.25 C ATOM 506 CG GLN A 31 67.596 -6.184 -12.034 1.00 1.08 C ATOM 507 CD GLN A 31 66.472 -7.215 -12.203 1.00 1.10 C ATOM 508 OE1 GLN A 31 65.351 -6.872 -12.531 1.00 0.70 O ATOM 509 NE2 GLN A 31 66.727 -8.477 -11.990 1.00 1.99 N ATOM 0 H GLN A 31 66.670 -2.487 -12.945 1.00 0.20 H new ATOM 0 HA GLN A 31 68.645 -3.814 -11.345 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.243 -4.496 -12.054 1.00 0.25 H new ATOM 0 HB3 GLN A 31 66.898 -4.898 -13.629 1.00 0.25 H new ATOM 0 HG2 GLN A 31 68.488 -6.516 -12.566 1.00 1.08 H new ATOM 0 HG3 GLN A 31 67.866 -6.098 -10.981 1.00 1.08 H new ATOM 0 HE21 GLN A 31 67.665 -8.768 -11.715 1.00 1.99 H new ATOM 0 HE22 GLN A 31 65.988 -9.172 -12.099 1.00 1.99 H new ATOM 518 N GLY A 32 70.488 -4.668 -12.746 1.00 0.18 N ATOM 519 CA GLY A 32 71.673 -5.044 -13.572 1.00 0.19 C ATOM 520 C GLY A 32 72.719 -3.917 -13.575 1.00 0.17 C ATOM 521 O GLY A 32 73.864 -4.147 -13.923 1.00 0.18 O ATOM 0 H GLY A 32 70.575 -4.878 -11.752 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.119 -5.958 -13.181 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.357 -5.255 -14.594 1.00 0.19 H new ATOM 525 N ASP A 33 72.359 -2.716 -13.161 1.00 0.15 N ATOM 526 CA ASP A 33 73.369 -1.606 -13.114 1.00 0.14 C ATOM 527 C ASP A 33 74.288 -1.789 -11.908 1.00 0.13 C ATOM 528 O ASP A 33 73.900 -2.383 -10.920 1.00 0.14 O ATOM 529 CB ASP A 33 72.557 -0.318 -12.974 1.00 0.13 C ATOM 530 CG ASP A 33 71.756 -0.054 -14.253 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.151 -0.541 -15.302 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.761 0.643 -14.159 1.00 1.07 O ATOM 0 H ASP A 33 71.419 -2.462 -12.857 1.00 0.15 H new ATOM 0 HA ASP A 33 73.999 -1.588 -14.003 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.881 -0.397 -12.123 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.224 0.521 -12.775 1.00 0.13 H new ATOM 537 N PHE A 34 75.463 -1.202 -11.941 1.00 0.12 N ATOM 538 CA PHE A 34 76.359 -1.254 -10.751 1.00 0.11 C ATOM 539 C PHE A 34 76.458 0.132 -10.125 1.00 0.10 C ATOM 540 O PHE A 34 76.666 1.111 -10.813 1.00 0.11 O ATOM 541 CB PHE A 34 77.721 -1.695 -11.286 1.00 0.12 C ATOM 542 CG PHE A 34 77.655 -3.144 -11.705 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.225 -3.490 -13.029 1.00 0.17 C ATOM 544 CD2 PHE A 34 78.023 -4.174 -10.777 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.165 -4.868 -13.425 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.963 -5.551 -11.173 1.00 0.20 C ATOM 547 CZ PHE A 34 77.532 -5.898 -12.497 1.00 0.21 C ATOM 0 H PHE A 34 75.835 -0.691 -12.742 1.00 0.12 H new ATOM 0 HA PHE A 34 75.990 -1.935 -9.984 1.00 0.11 H new ATOM 0 HB2 PHE A 34 78.009 -1.073 -12.134 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.485 -1.562 -10.520 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.947 -2.714 -13.727 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.345 -3.912 -9.780 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.843 -5.130 -14.422 1.00 0.20 H new ATOM 0 HE2 PHE A 34 78.242 -6.327 -10.475 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.484 -6.935 -12.795 1.00 0.21 H new ATOM 557 N VAL A 35 76.420 0.202 -8.821 1.00 0.09 N ATOM 558 CA VAL A 35 76.635 1.506 -8.132 1.00 0.09 C ATOM 559 C VAL A 35 77.679 1.324 -7.029 1.00 0.10 C ATOM 560 O VAL A 35 77.856 0.236 -6.514 1.00 0.10 O ATOM 561 CB VAL A 35 75.264 1.904 -7.565 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.259 2.053 -8.715 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.757 0.829 -6.597 1.00 0.15 C ATOM 0 H VAL A 35 76.249 -0.591 -8.202 1.00 0.09 H new ATOM 0 HA VAL A 35 77.010 2.284 -8.797 1.00 0.09 H new ATOM 0 HB VAL A 35 75.366 2.849 -7.032 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.286 2.335 -8.313 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.605 2.824 -9.403 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.171 1.105 -9.246 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.785 1.124 -6.203 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.662 -0.120 -7.125 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.463 0.718 -5.774 1.00 0.15 H new ATOM 573 N GLU A 36 78.373 2.375 -6.670 1.00 0.12 N ATOM 574 CA GLU A 36 79.413 2.266 -5.606 1.00 0.13 C ATOM 575 C GLU A 36 78.987 3.126 -4.434 1.00 0.13 C ATOM 576 O GLU A 36 78.555 4.246 -4.630 1.00 0.13 O ATOM 577 CB GLU A 36 80.699 2.802 -6.237 1.00 0.14 C ATOM 578 CG GLU A 36 81.860 2.638 -5.253 1.00 0.15 C ATOM 579 CD GLU A 36 83.128 3.273 -5.834 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.004 4.231 -6.581 1.00 1.09 O ATOM 581 OE2 GLU A 36 84.203 2.792 -5.515 1.00 1.03 O ATOM 0 H GLU A 36 78.262 3.306 -7.071 1.00 0.12 H new ATOM 0 HA GLU A 36 79.554 1.248 -5.244 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.914 2.266 -7.161 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.577 3.853 -6.499 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.611 3.107 -4.301 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.031 1.581 -5.052 1.00 0.15 H new ATOM 588 N ILE A 37 78.885 2.540 -3.271 1.00 0.12 N ATOM 589 CA ILE A 37 78.218 3.249 -2.146 1.00 0.11 C ATOM 590 C ILE A 37 78.954 2.997 -0.826 1.00 0.11 C ATOM 591 O ILE A 37 79.639 2.003 -0.668 1.00 0.12 O ATOM 592 CB ILE A 37 76.800 2.662 -2.126 1.00 0.12 C ATOM 593 CG1 ILE A 37 75.969 3.348 -1.040 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.852 1.153 -1.855 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.474 3.184 -1.347 1.00 0.14 C ATOM 0 H ILE A 37 79.233 1.606 -3.054 1.00 0.12 H new ATOM 0 HA ILE A 37 78.213 4.332 -2.271 1.00 0.11 H new ATOM 0 HB ILE A 37 76.338 2.832 -3.099 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.199 2.916 -0.066 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.225 4.406 -0.988 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.839 0.750 -1.844 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.429 0.662 -2.639 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.325 0.973 -0.890 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.887 3.674 -0.570 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.249 3.637 -2.312 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.223 2.124 -1.376 1.00 0.14 H new ATOM 607 N LYS A 38 78.770 3.867 0.132 1.00 0.12 N ATOM 608 CA LYS A 38 79.401 3.670 1.470 1.00 0.13 C ATOM 609 C LYS A 38 78.371 3.884 2.582 1.00 0.13 C ATOM 610 O LYS A 38 77.517 4.742 2.483 1.00 0.14 O ATOM 611 CB LYS A 38 80.496 4.728 1.559 1.00 0.13 C ATOM 612 CG LYS A 38 81.360 4.436 2.786 1.00 0.18 C ATOM 613 CD LYS A 38 82.543 5.407 2.846 1.00 0.25 C ATOM 614 CE LYS A 38 82.034 6.844 2.990 1.00 1.03 C ATOM 615 NZ LYS A 38 82.982 7.496 3.937 1.00 1.11 N ATOM 0 H LYS A 38 78.205 4.712 0.044 1.00 0.12 H new ATOM 0 HA LYS A 38 79.796 2.661 1.587 1.00 0.13 H new ATOM 0 HB2 LYS A 38 81.106 4.717 0.656 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.056 5.722 1.635 1.00 0.13 H new ATOM 0 HG2 LYS A 38 80.760 4.527 3.692 1.00 0.18 H new ATOM 0 HG3 LYS A 38 81.725 3.410 2.747 1.00 0.18 H new ATOM 0 HD2 LYS A 38 83.189 5.155 3.687 1.00 0.25 H new ATOM 0 HD3 LYS A 38 83.146 5.315 1.943 1.00 0.25 H new ATOM 0 HE2 LYS A 38 82.022 7.357 2.028 1.00 1.03 H new ATOM 0 HE3 LYS A 38 81.015 6.865 3.375 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 82.698 8.485 4.086 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 82.967 6.991 4.846 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 83.943 7.467 3.541 1.00 1.11 H new ATOM 629 N ILE A 39 78.489 3.152 3.663 1.00 0.14 N ATOM 630 CA ILE A 39 77.562 3.355 4.821 1.00 0.14 C ATOM 631 C ILE A 39 78.336 3.863 6.036 1.00 0.13 C ATOM 632 O ILE A 39 79.496 3.540 6.220 1.00 0.13 O ATOM 633 CB ILE A 39 76.955 1.979 5.129 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.072 0.954 5.379 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.089 1.525 3.956 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.495 -0.273 6.085 1.00 0.20 C ATOM 0 H ILE A 39 79.189 2.421 3.794 1.00 0.14 H new ATOM 0 HA ILE A 39 76.793 4.091 4.587 1.00 0.14 H new ATOM 0 HB ILE A 39 76.338 2.055 6.024 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.528 0.661 4.434 1.00 0.16 H new ATOM 0 HG13 ILE A 39 78.859 1.400 5.988 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.660 0.548 4.178 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.287 2.246 3.795 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.701 1.457 3.057 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.289 -0.998 6.261 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.060 0.027 7.038 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.724 -0.724 5.460 1.00 0.20 H new ATOM 648 N VAL A 40 77.682 4.615 6.882 1.00 0.13 N ATOM 649 CA VAL A 40 78.343 5.111 8.125 1.00 0.12 C ATOM 650 C VAL A 40 77.361 5.036 9.298 1.00 0.16 C ATOM 651 O VAL A 40 76.310 5.650 9.282 1.00 0.20 O ATOM 652 CB VAL A 40 78.721 6.568 7.826 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.435 7.174 9.040 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.661 6.624 6.614 1.00 0.16 C ATOM 0 H VAL A 40 76.712 4.909 6.764 1.00 0.13 H new ATOM 0 HA VAL A 40 79.216 4.519 8.398 1.00 0.12 H new ATOM 0 HB VAL A 40 77.814 7.133 7.611 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.703 8.209 8.826 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.773 7.142 9.905 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.338 6.602 9.254 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.926 7.661 6.407 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.565 6.054 6.828 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.160 6.197 5.745 1.00 0.16 H new ATOM 664 N LYS A 41 77.739 4.347 10.340 1.00 0.17 N ATOM 665 CA LYS A 41 76.893 4.282 11.568 1.00 0.22 C ATOM 666 C LYS A 41 77.766 4.532 12.794 1.00 0.21 C ATOM 667 O LYS A 41 78.934 4.201 12.797 1.00 0.22 O ATOM 668 CB LYS A 41 76.334 2.862 11.604 1.00 0.28 C ATOM 669 CG LYS A 41 75.321 2.749 12.744 1.00 0.54 C ATOM 670 CD LYS A 41 74.963 1.277 12.967 1.00 1.11 C ATOM 671 CE LYS A 41 73.875 1.158 14.043 1.00 1.50 C ATOM 672 NZ LYS A 41 74.446 1.798 15.263 1.00 1.98 N ATOM 0 H LYS A 41 78.610 3.819 10.394 1.00 0.17 H new ATOM 0 HA LYS A 41 76.097 5.027 11.563 1.00 0.22 H new ATOM 0 HB2 LYS A 41 75.858 2.622 10.653 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.142 2.144 11.747 1.00 0.28 H new ATOM 0 HG2 LYS A 41 75.736 3.175 13.657 1.00 0.54 H new ATOM 0 HG3 LYS A 41 74.424 3.320 12.505 1.00 0.54 H new ATOM 0 HD2 LYS A 41 74.614 0.834 12.034 1.00 1.11 H new ATOM 0 HD3 LYS A 41 75.850 0.721 13.272 1.00 1.11 H new ATOM 0 HE2 LYS A 41 72.958 1.658 13.731 1.00 1.50 H new ATOM 0 HE3 LYS A 41 73.621 0.115 14.230 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 74.115 1.291 16.108 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 75.484 1.760 15.221 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 74.137 2.790 15.311 1.00 1.98 H new ATOM 686 N TYR A 42 77.221 5.141 13.815 1.00 0.20 N ATOM 687 CA TYR A 42 78.044 5.446 15.029 1.00 0.20 C ATOM 688 C TYR A 42 77.763 4.428 16.138 1.00 0.27 C ATOM 689 O TYR A 42 76.623 4.184 16.493 1.00 0.33 O ATOM 690 CB TYR A 42 77.621 6.850 15.461 1.00 0.22 C ATOM 691 CG TYR A 42 78.629 7.387 16.447 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.908 7.841 15.981 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.313 7.442 17.846 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.872 8.350 16.913 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.277 7.951 18.778 1.00 0.25 C ATOM 696 CZ TYR A 42 80.557 8.406 18.312 1.00 0.28 C ATOM 697 OH TYR A 42 81.484 8.895 19.210 1.00 0.33 O ATOM 0 H TYR A 42 76.247 5.440 13.863 1.00 0.20 H new ATOM 0 HA TYR A 42 79.113 5.393 14.821 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.556 7.507 14.594 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.630 6.822 15.914 1.00 0.22 H new ATOM 0 HD1 TYR A 42 80.145 7.799 14.928 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.350 7.100 18.197 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.835 8.691 16.562 1.00 0.28 H new ATOM 0 HE2 TYR A 42 79.040 7.992 19.831 1.00 0.25 H new ATOM 0 HH TYR A 42 81.110 8.864 20.115 1.00 0.33 H new ATOM 759 N PRO A 47 82.998 6.014 15.358 1.00 0.25 N ATOM 760 CA PRO A 47 82.180 5.755 14.149 1.00 0.21 C ATOM 761 C PRO A 47 82.661 4.479 13.440 1.00 0.27 C ATOM 762 O PRO A 47 83.844 4.296 13.221 1.00 0.34 O ATOM 763 CB PRO A 47 82.399 6.985 13.258 1.00 0.24 C ATOM 764 CG PRO A 47 83.342 7.891 13.993 1.00 0.33 C ATOM 765 CD PRO A 47 83.940 7.121 15.139 1.00 0.31 C ATOM 0 HA PRO A 47 81.127 5.602 14.386 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.815 6.694 12.293 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.454 7.491 13.058 1.00 0.24 H new ATOM 0 HG2 PRO A 47 84.126 8.246 13.324 1.00 0.33 H new ATOM 0 HG3 PRO A 47 82.814 8.771 14.361 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.937 6.754 14.895 1.00 0.31 H new ATOM 0 HD3 PRO A 47 84.038 7.743 16.029 1.00 0.31 H new ATOM 773 N LYS A 48 81.741 3.687 12.950 1.00 0.26 N ATOM 774 CA LYS A 48 82.115 2.518 12.093 1.00 0.35 C ATOM 775 C LYS A 48 81.650 2.769 10.657 1.00 0.28 C ATOM 776 O LYS A 48 80.577 3.296 10.437 1.00 0.24 O ATOM 777 CB LYS A 48 81.373 1.322 12.692 1.00 0.45 C ATOM 778 CG LYS A 48 81.819 1.106 14.138 1.00 0.60 C ATOM 779 CD LYS A 48 83.268 0.624 14.151 1.00 0.47 C ATOM 780 CE LYS A 48 83.668 0.237 15.577 1.00 0.48 C ATOM 781 NZ LYS A 48 84.790 -0.728 15.414 1.00 1.10 N ATOM 0 H LYS A 48 80.740 3.800 13.107 1.00 0.26 H new ATOM 0 HA LYS A 48 83.191 2.349 12.066 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.297 1.495 12.656 1.00 0.45 H new ATOM 0 HB3 LYS A 48 81.572 0.427 12.103 1.00 0.45 H new ATOM 0 HG2 LYS A 48 81.727 2.034 14.702 1.00 0.60 H new ATOM 0 HG3 LYS A 48 81.175 0.373 14.624 1.00 0.60 H new ATOM 0 HD2 LYS A 48 83.383 -0.231 13.485 1.00 0.47 H new ATOM 0 HD3 LYS A 48 83.926 1.409 13.778 1.00 0.47 H new ATOM 0 HE2 LYS A 48 83.979 1.110 16.151 1.00 0.48 H new ATOM 0 HE3 LYS A 48 82.833 -0.215 16.112 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 85.119 -1.039 16.350 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 84.463 -1.552 14.870 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 85.573 -0.268 14.908 1.00 1.10 H new ATOM 795 N GLU A 49 82.477 2.461 9.689 1.00 0.26 N ATOM 796 CA GLU A 49 82.116 2.755 8.267 1.00 0.20 C ATOM 797 C GLU A 49 82.449 1.568 7.360 1.00 0.19 C ATOM 798 O GLU A 49 83.229 0.704 7.716 1.00 0.21 O ATOM 799 CB GLU A 49 82.964 3.970 7.886 1.00 0.25 C ATOM 800 CG GLU A 49 82.593 5.157 8.784 1.00 0.80 C ATOM 801 CD GLU A 49 83.379 6.411 8.368 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.390 6.272 7.696 1.00 1.42 O ATOM 803 OE2 GLU A 49 82.956 7.494 8.738 1.00 0.96 O ATOM 0 H GLU A 49 83.387 2.019 9.822 1.00 0.26 H new ATOM 0 HA GLU A 49 81.048 2.942 8.152 1.00 0.20 H new ATOM 0 HB2 GLU A 49 84.023 3.736 7.994 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.800 4.227 6.840 1.00 0.25 H new ATOM 0 HG2 GLU A 49 81.523 5.352 8.716 1.00 0.80 H new ATOM 0 HG3 GLU A 49 82.807 4.915 9.825 1.00 0.80 H new ATOM 810 N GLY A 50 81.907 1.563 6.166 1.00 0.16 N ATOM 811 CA GLY A 50 82.234 0.487 5.189 1.00 0.16 C ATOM 812 C GLY A 50 81.928 0.974 3.774 1.00 0.15 C ATOM 813 O GLY A 50 80.875 1.523 3.521 1.00 0.17 O ATOM 0 H GLY A 50 81.248 2.265 5.828 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.286 0.214 5.271 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.654 -0.409 5.410 1.00 0.16 H new ATOM 817 N THR A 51 82.816 0.723 2.842 1.00 0.14 N ATOM 818 CA THR A 51 82.556 1.115 1.422 1.00 0.14 C ATOM 819 C THR A 51 82.692 -0.108 0.516 1.00 0.13 C ATOM 820 O THR A 51 83.627 -0.878 0.648 1.00 0.15 O ATOM 821 CB THR A 51 83.638 2.147 1.077 1.00 0.16 C ATOM 822 OG1 THR A 51 83.854 3.005 2.189 1.00 0.18 O ATOM 823 CG2 THR A 51 83.193 2.985 -0.130 1.00 0.21 C ATOM 0 H THR A 51 83.711 0.262 3.005 1.00 0.14 H new ATOM 0 HA THR A 51 81.553 1.519 1.286 1.00 0.14 H new ATOM 0 HB THR A 51 84.563 1.624 0.834 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.649 3.555 2.029 1.00 0.18 H new ATOM 0 HG21 THR A 51 83.965 3.716 -0.370 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.033 2.331 -0.987 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.265 3.504 0.109 1.00 0.21 H new ATOM 831 N PHE A 52 81.790 -0.272 -0.422 1.00 0.12 N ATOM 832 CA PHE A 52 81.897 -1.430 -1.365 1.00 0.13 C ATOM 833 C PHE A 52 81.163 -1.137 -2.689 1.00 0.11 C ATOM 834 O PHE A 52 80.403 -0.191 -2.790 1.00 0.10 O ATOM 835 CB PHE A 52 81.284 -2.629 -0.600 1.00 0.14 C ATOM 836 CG PHE A 52 79.770 -2.539 -0.533 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.135 -1.550 0.292 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.972 -3.441 -1.312 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.701 -1.469 0.338 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.542 -3.358 -1.268 1.00 0.14 C ATOM 841 CZ PHE A 52 76.906 -2.373 -0.444 1.00 0.15 C ATOM 0 H PHE A 52 80.990 0.341 -0.575 1.00 0.12 H new ATOM 0 HA PHE A 52 82.927 -1.637 -1.655 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.572 -3.559 -1.091 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.691 -2.662 0.410 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.734 -0.868 0.877 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.450 -4.184 -1.933 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.222 -0.728 0.961 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.943 -4.038 -1.856 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.828 -2.311 -0.411 1.00 0.15 H new ATOM 851 N THR A 53 81.296 -2.020 -3.649 1.00 0.12 N ATOM 852 CA THR A 53 80.510 -1.890 -4.913 1.00 0.11 C ATOM 853 C THR A 53 79.407 -2.949 -4.941 1.00 0.11 C ATOM 854 O THR A 53 79.592 -4.057 -4.469 1.00 0.12 O ATOM 855 CB THR A 53 81.516 -2.134 -6.040 1.00 0.11 C ATOM 856 OG1 THR A 53 82.595 -1.218 -5.913 1.00 0.13 O ATOM 857 CG2 THR A 53 80.830 -1.935 -7.393 1.00 0.11 C ATOM 0 H THR A 53 81.918 -2.828 -3.610 1.00 0.12 H new ATOM 0 HA THR A 53 80.030 -0.916 -5.008 1.00 0.11 H new ATOM 0 HB THR A 53 81.894 -3.154 -5.976 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.242 -1.373 -6.633 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.548 -2.109 -8.194 1.00 0.11 H new ATOM 0 HG22 THR A 53 80.002 -2.638 -7.488 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.450 -0.916 -7.462 1.00 0.11 H new ATOM 865 N ALA A 54 78.239 -2.590 -5.415 1.00 0.11 N ATOM 866 CA ALA A 54 77.088 -3.542 -5.389 1.00 0.13 C ATOM 867 C ALA A 54 76.247 -3.398 -6.658 1.00 0.13 C ATOM 868 O ALA A 54 76.046 -2.306 -7.153 1.00 0.11 O ATOM 869 CB ALA A 54 76.273 -3.139 -4.156 1.00 0.14 C ATOM 0 H ALA A 54 78.034 -1.676 -5.819 1.00 0.11 H new ATOM 0 HA ALA A 54 77.414 -4.581 -5.345 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.405 -3.792 -4.064 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.893 -3.231 -3.264 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.940 -2.106 -4.261 1.00 0.14 H new ATOM 875 N ARG A 55 75.686 -4.484 -7.131 1.00 0.15 N ATOM 876 CA ARG A 55 74.770 -4.409 -8.307 1.00 0.15 C ATOM 877 C ARG A 55 73.324 -4.281 -7.827 1.00 0.15 C ATOM 878 O ARG A 55 72.951 -4.834 -6.808 1.00 0.16 O ATOM 879 CB ARG A 55 74.970 -5.720 -9.068 1.00 0.19 C ATOM 880 CG ARG A 55 74.408 -5.572 -10.484 1.00 0.27 C ATOM 881 CD ARG A 55 74.578 -6.889 -11.247 1.00 0.45 C ATOM 882 NE ARG A 55 73.483 -7.777 -10.740 1.00 0.90 N ATOM 883 CZ ARG A 55 73.558 -9.094 -10.826 1.00 1.48 C ATOM 884 NH1 ARG A 55 74.590 -9.700 -11.374 1.00 1.67 N ATOM 885 NH2 ARG A 55 72.577 -9.815 -10.359 1.00 2.21 N ATOM 0 H ARG A 55 75.825 -5.420 -6.751 1.00 0.15 H new ATOM 0 HA ARG A 55 74.981 -3.547 -8.939 1.00 0.15 H new ATOM 0 HB2 ARG A 55 76.030 -5.972 -9.109 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.468 -6.536 -8.548 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.354 -5.299 -10.440 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.924 -4.768 -11.008 1.00 0.27 H new ATOM 0 HD2 ARG A 55 74.495 -6.735 -12.323 1.00 0.45 H new ATOM 0 HD3 ARG A 55 75.559 -7.328 -11.063 1.00 0.45 H new ATOM 0 HE ARG A 55 72.657 -7.354 -10.317 1.00 0.90 H new ATOM 0 HH11 ARG A 55 75.364 -9.151 -11.749 1.00 1.67 H new ATOM 0 HH12 ARG A 55 74.616 -10.718 -11.424 1.00 1.67 H new ATOM 0 HH21 ARG A 55 71.768 -9.362 -9.935 1.00 2.21 H new ATOM 0 HH22 ARG A 55 72.619 -10.832 -10.417 1.00 2.21 H new ATOM 899 N VAL A 56 72.517 -3.554 -8.553 1.00 0.14 N ATOM 900 CA VAL A 56 71.088 -3.377 -8.151 1.00 0.14 C ATOM 901 C VAL A 56 70.285 -4.625 -8.515 1.00 0.15 C ATOM 902 O VAL A 56 70.281 -5.063 -9.650 1.00 0.17 O ATOM 903 CB VAL A 56 70.606 -2.152 -8.940 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.107 -1.902 -8.694 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.411 -0.929 -8.491 1.00 0.17 C ATOM 0 H VAL A 56 72.786 -3.073 -9.411 1.00 0.14 H new ATOM 0 HA VAL A 56 70.966 -3.233 -7.077 1.00 0.14 H new ATOM 0 HB VAL A 56 70.754 -2.331 -10.005 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.786 -1.029 -9.262 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.536 -2.774 -9.013 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.937 -1.726 -7.632 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.078 -0.051 -9.045 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.259 -0.765 -7.424 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.470 -1.100 -8.684 1.00 0.17 H new ATOM 915 N GLY A 57 69.598 -5.177 -7.554 1.00 0.16 N ATOM 916 CA GLY A 57 68.766 -6.387 -7.812 1.00 0.19 C ATOM 917 C GLY A 57 67.293 -5.994 -7.915 1.00 0.18 C ATOM 918 O GLY A 57 66.948 -4.826 -8.010 1.00 0.16 O ATOM 0 H GLY A 57 69.577 -4.839 -6.592 1.00 0.16 H new ATOM 0 HA2 GLY A 57 69.088 -6.870 -8.735 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.903 -7.111 -7.009 1.00 0.19 H new ATOM 922 N GLU A 58 66.422 -6.967 -7.889 1.00 0.21 N ATOM 923 CA GLU A 58 64.958 -6.678 -7.985 1.00 0.22 C ATOM 924 C GLU A 58 64.516 -5.818 -6.798 1.00 0.22 C ATOM 925 O GLU A 58 65.118 -5.838 -5.743 1.00 0.24 O ATOM 926 CB GLU A 58 64.270 -8.046 -7.942 1.00 0.27 C ATOM 927 CG GLU A 58 62.805 -7.898 -8.364 1.00 0.81 C ATOM 928 CD GLU A 58 62.719 -7.650 -9.875 1.00 0.80 C ATOM 929 OE1 GLU A 58 63.597 -8.109 -10.589 1.00 1.28 O ATOM 930 OE2 GLU A 58 61.768 -7.009 -10.293 1.00 1.39 O ATOM 0 H GLU A 58 66.661 -7.955 -7.805 1.00 0.21 H new ATOM 0 HA GLU A 58 64.706 -6.129 -8.892 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.782 -8.743 -8.606 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.329 -8.463 -6.936 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.249 -8.799 -8.102 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.344 -7.071 -7.824 1.00 0.81 H new ATOM 937 N GLN A 59 63.470 -5.048 -6.976 1.00 0.25 N ATOM 938 CA GLN A 59 62.960 -4.160 -5.879 1.00 0.30 C ATOM 939 C GLN A 59 64.061 -3.242 -5.323 1.00 0.23 C ATOM 940 O GLN A 59 63.875 -2.629 -4.285 1.00 0.23 O ATOM 941 CB GLN A 59 62.451 -5.107 -4.785 1.00 0.37 C ATOM 942 CG GLN A 59 61.224 -5.863 -5.298 1.00 0.46 C ATOM 943 CD GLN A 59 60.799 -6.921 -4.277 1.00 0.56 C ATOM 944 OE1 GLN A 59 61.158 -6.849 -3.117 1.00 0.82 O ATOM 945 NE2 GLN A 59 60.045 -7.913 -4.666 1.00 0.81 N ATOM 0 H GLN A 59 62.940 -4.995 -7.846 1.00 0.25 H new ATOM 0 HA GLN A 59 62.177 -3.498 -6.251 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.235 -5.811 -4.505 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.195 -4.541 -3.889 1.00 0.37 H new ATOM 0 HG2 GLN A 59 60.405 -5.166 -5.475 1.00 0.46 H new ATOM 0 HG3 GLN A 59 61.451 -6.337 -6.253 1.00 0.46 H new ATOM 0 HE21 GLN A 59 59.744 -7.974 -5.639 1.00 0.81 H new ATOM 0 HE22 GLN A 59 59.757 -8.627 -3.997 1.00 0.81 H new ATOM 954 N GLY A 60 65.127 -3.014 -6.067 1.00 0.19 N ATOM 955 CA GLY A 60 66.130 -1.985 -5.637 1.00 0.16 C ATOM 956 C GLY A 60 66.956 -2.492 -4.451 1.00 0.12 C ATOM 957 O GLY A 60 67.505 -1.703 -3.698 1.00 0.12 O ATOM 0 H GLY A 60 65.341 -3.492 -6.942 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.791 -1.745 -6.470 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.617 -1.064 -5.361 1.00 0.16 H new ATOM 961 N SER A 61 67.006 -3.788 -4.242 1.00 0.14 N ATOM 962 CA SER A 61 67.758 -4.331 -3.068 1.00 0.16 C ATOM 963 C SER A 61 69.262 -4.335 -3.359 1.00 0.15 C ATOM 964 O SER A 61 69.686 -4.612 -4.466 1.00 0.18 O ATOM 965 CB SER A 61 67.243 -5.758 -2.882 1.00 0.21 C ATOM 966 OG SER A 61 67.784 -6.589 -3.900 1.00 1.30 O ATOM 0 H SER A 61 66.560 -4.490 -4.833 1.00 0.14 H new ATOM 0 HA SER A 61 67.609 -3.729 -2.172 1.00 0.16 H new ATOM 0 HB2 SER A 61 67.528 -6.135 -1.900 1.00 0.21 H new ATOM 0 HB3 SER A 61 66.154 -5.772 -2.925 1.00 0.21 H new ATOM 0 HG SER A 61 67.457 -7.505 -3.783 1.00 1.30 H new ATOM 972 N VAL A 62 70.064 -4.126 -2.347 1.00 0.14 N ATOM 973 CA VAL A 62 71.546 -4.221 -2.510 1.00 0.15 C ATOM 974 C VAL A 62 72.152 -4.934 -1.294 1.00 0.14 C ATOM 975 O VAL A 62 71.609 -4.868 -0.206 1.00 0.14 O ATOM 976 CB VAL A 62 72.033 -2.769 -2.614 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.663 -1.994 -1.347 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.553 -2.752 -2.791 1.00 0.21 C ATOM 0 H VAL A 62 69.752 -3.891 -1.405 1.00 0.14 H new ATOM 0 HA VAL A 62 71.841 -4.795 -3.389 1.00 0.15 H new ATOM 0 HB VAL A 62 71.555 -2.297 -3.473 1.00 0.17 H new ATOM 0 HG11 VAL A 62 72.014 -0.966 -1.434 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.580 -1.998 -1.221 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.131 -2.465 -0.483 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.899 -1.721 -2.865 1.00 0.21 H new ATOM 0 HG22 VAL A 62 74.025 -3.233 -1.934 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.819 -3.290 -3.701 1.00 0.21 H new ATOM 988 N ILE A 63 73.199 -5.698 -1.494 1.00 0.16 N ATOM 989 CA ILE A 63 73.761 -6.516 -0.370 1.00 0.17 C ATOM 990 C ILE A 63 75.122 -5.966 0.071 1.00 0.16 C ATOM 991 O ILE A 63 76.077 -5.981 -0.685 1.00 0.19 O ATOM 992 CB ILE A 63 73.925 -7.936 -0.938 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.587 -8.458 -1.501 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.414 -8.877 0.167 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.511 -8.469 -0.408 1.00 0.34 C ATOM 0 H ILE A 63 73.688 -5.791 -2.384 1.00 0.16 H new ATOM 0 HA ILE A 63 73.110 -6.496 0.504 1.00 0.17 H new ATOM 0 HB ILE A 63 74.655 -7.903 -1.747 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.265 -7.829 -2.330 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.721 -9.464 -1.898 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.530 -9.883 -0.237 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.374 -8.525 0.546 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.687 -8.893 0.979 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.574 -8.840 -0.823 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.828 -9.118 0.408 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.365 -7.457 -0.031 1.00 0.34 H new ATOM 1007 N ILE A 64 75.251 -5.627 1.332 1.00 0.15 N ATOM 1008 CA ILE A 64 76.590 -5.244 1.883 1.00 0.16 C ATOM 1009 C ILE A 64 77.417 -6.515 2.149 1.00 0.18 C ATOM 1010 O ILE A 64 76.867 -7.518 2.548 1.00 0.20 O ATOM 1011 CB ILE A 64 76.289 -4.504 3.192 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.440 -3.264 2.898 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.600 -4.070 3.855 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.784 -2.776 4.191 1.00 0.32 C ATOM 0 H ILE A 64 74.485 -5.599 2.005 1.00 0.15 H new ATOM 0 HA ILE A 64 77.165 -4.621 1.198 1.00 0.16 H new ATOM 0 HB ILE A 64 75.745 -5.171 3.861 1.00 0.19 H new ATOM 0 HG12 ILE A 64 76.063 -2.476 2.474 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.676 -3.500 2.157 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.381 -3.545 4.785 1.00 0.34 H new ATOM 0 HG22 ILE A 64 78.208 -4.949 4.069 1.00 0.34 H new ATOM 0 HG23 ILE A 64 78.145 -3.407 3.183 1.00 0.34 H new ATOM 0 HD11 ILE A 64 74.180 -1.893 3.982 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.148 -3.563 4.596 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.556 -2.523 4.918 1.00 0.32 H new ATOM 1026 N PRO A 65 78.715 -6.451 1.927 1.00 0.19 N ATOM 1027 CA PRO A 65 79.580 -7.648 2.156 1.00 0.23 C ATOM 1028 C PRO A 65 79.594 -8.029 3.642 1.00 0.26 C ATOM 1029 O PRO A 65 79.736 -7.187 4.509 1.00 0.23 O ATOM 1030 CB PRO A 65 80.955 -7.172 1.692 1.00 0.26 C ATOM 1031 CG PRO A 65 80.897 -5.697 1.885 1.00 0.24 C ATOM 1032 CD PRO A 65 79.513 -5.302 1.461 1.00 0.21 C ATOM 0 HA PRO A 65 79.239 -8.539 1.629 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.755 -7.622 2.280 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.139 -7.433 0.650 1.00 0.26 H new ATOM 0 HG2 PRO A 65 81.083 -5.428 2.925 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.653 -5.191 1.285 1.00 0.24 H new ATOM 0 HD2 PRO A 65 79.194 -4.368 1.924 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.440 -5.164 0.382 1.00 0.21 H new ATOM 1040 N LYS A 66 79.445 -9.298 3.937 1.00 0.41 N ATOM 1041 CA LYS A 66 79.440 -9.760 5.368 1.00 0.51 C ATOM 1042 C LYS A 66 80.710 -9.302 6.092 1.00 0.44 C ATOM 1043 O LYS A 66 80.692 -9.017 7.275 1.00 0.42 O ATOM 1044 CB LYS A 66 79.389 -11.289 5.301 1.00 0.69 C ATOM 1045 CG LYS A 66 79.252 -11.857 6.716 1.00 0.96 C ATOM 1046 CD LYS A 66 79.113 -13.378 6.645 1.00 1.31 C ATOM 1047 CE LYS A 66 80.434 -13.991 6.175 1.00 1.89 C ATOM 1048 NZ LYS A 66 80.379 -15.412 6.621 1.00 2.62 N ATOM 0 H LYS A 66 79.326 -10.040 3.247 1.00 0.41 H new ATOM 0 HA LYS A 66 78.596 -9.346 5.920 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.548 -11.609 4.686 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.293 -11.673 4.829 1.00 0.69 H new ATOM 0 HG2 LYS A 66 80.124 -11.589 7.313 1.00 0.96 H new ATOM 0 HG3 LYS A 66 78.382 -11.425 7.210 1.00 0.96 H new ATOM 0 HD2 LYS A 66 78.844 -13.775 7.624 1.00 1.31 H new ATOM 0 HD3 LYS A 66 78.310 -13.649 5.959 1.00 1.31 H new ATOM 0 HE2 LYS A 66 80.539 -13.921 5.092 1.00 1.89 H new ATOM 0 HE3 LYS A 66 81.287 -13.473 6.612 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 81.252 -15.900 6.335 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 80.286 -15.448 7.656 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 79.561 -15.882 6.184 1.00 2.62 H new ATOM 1062 N ALA A 67 81.812 -9.252 5.387 1.00 0.43 N ATOM 1063 CA ALA A 67 83.106 -8.840 6.025 1.00 0.40 C ATOM 1064 C ALA A 67 82.980 -7.435 6.621 1.00 0.30 C ATOM 1065 O ALA A 67 83.488 -7.157 7.696 1.00 0.28 O ATOM 1066 CB ALA A 67 84.138 -8.850 4.895 1.00 0.45 C ATOM 0 H ALA A 67 81.874 -9.479 4.394 1.00 0.43 H new ATOM 0 HA ALA A 67 83.390 -9.508 6.838 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.112 -8.558 5.289 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.204 -9.852 4.471 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.835 -8.147 4.119 1.00 0.45 H new ATOM 1072 N LEU A 68 82.273 -6.563 5.947 1.00 0.27 N ATOM 1073 CA LEU A 68 82.076 -5.181 6.478 1.00 0.23 C ATOM 1074 C LEU A 68 81.028 -5.178 7.591 1.00 0.22 C ATOM 1075 O LEU A 68 81.130 -4.412 8.531 1.00 0.22 O ATOM 1076 CB LEU A 68 81.614 -4.332 5.287 1.00 0.28 C ATOM 1077 CG LEU A 68 82.763 -4.157 4.280 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.283 -3.303 3.104 1.00 1.24 C ATOM 1079 CD2 LEU A 68 83.950 -3.452 4.950 1.00 1.82 C ATOM 0 H LEU A 68 81.823 -6.750 5.051 1.00 0.27 H new ATOM 0 HA LEU A 68 82.994 -4.784 6.912 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.764 -4.809 4.800 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.276 -3.357 5.636 1.00 0.28 H new ATOM 0 HG LEU A 68 83.076 -5.140 3.928 1.00 0.99 H new ATOM 0 HD11 LEU A 68 83.096 -3.178 2.389 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.443 -3.796 2.615 1.00 1.24 H new ATOM 0 HD13 LEU A 68 81.967 -2.326 3.469 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.758 -3.333 4.228 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.636 -2.471 5.308 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.301 -4.050 5.791 1.00 1.82 H new ATOM 1091 N ARG A 69 80.035 -6.042 7.516 1.00 0.25 N ATOM 1092 CA ARG A 69 78.999 -6.092 8.604 1.00 0.28 C ATOM 1093 C ARG A 69 79.671 -6.365 9.952 1.00 0.25 C ATOM 1094 O ARG A 69 79.330 -5.775 10.960 1.00 0.26 O ATOM 1095 CB ARG A 69 78.090 -7.284 8.283 1.00 0.35 C ATOM 1096 CG ARG A 69 77.460 -7.170 6.893 1.00 0.46 C ATOM 1097 CD ARG A 69 76.387 -8.259 6.768 1.00 0.56 C ATOM 1098 NE ARG A 69 76.336 -8.626 5.317 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.879 -9.803 4.916 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.424 -10.703 5.762 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.871 -10.078 3.641 1.00 2.30 N ATOM 0 H ARG A 69 79.899 -6.708 6.756 1.00 0.25 H new ATOM 0 HA ARG A 69 78.453 -5.150 8.658 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.667 -8.206 8.344 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.302 -7.351 9.033 1.00 0.35 H new ATOM 0 HG2 ARG A 69 77.019 -6.183 6.754 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.218 -7.292 6.120 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.637 -9.125 7.381 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.419 -7.894 7.112 1.00 0.56 H new ATOM 0 HE ARG A 69 76.661 -7.954 4.621 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.416 -10.504 6.762 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.080 -11.599 5.417 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.213 -9.391 2.969 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.522 -10.980 3.316 1.00 2.30 H new ATOM 1115 N ASP A 70 80.564 -7.323 9.973 1.00 0.25 N ATOM 1116 CA ASP A 70 81.206 -7.733 11.258 1.00 0.25 C ATOM 1117 C ASP A 70 82.153 -6.643 11.754 1.00 0.22 C ATOM 1118 O ASP A 70 82.130 -6.277 12.915 1.00 0.22 O ATOM 1119 CB ASP A 70 81.987 -9.013 10.936 1.00 0.27 C ATOM 1120 CG ASP A 70 81.019 -10.120 10.505 1.00 0.91 C ATOM 1121 OD1 ASP A 70 79.885 -10.106 10.958 1.00 1.56 O ATOM 1122 OD2 ASP A 70 81.432 -10.969 9.731 1.00 1.68 O ATOM 0 H ASP A 70 80.877 -7.840 9.151 1.00 0.25 H new ATOM 0 HA ASP A 70 80.468 -7.895 12.044 1.00 0.25 H new ATOM 0 HB2 ASP A 70 82.708 -8.819 10.142 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.554 -9.333 11.810 1.00 0.27 H new ATOM 1127 N VAL A 71 82.990 -6.128 10.886 1.00 0.21 N ATOM 1128 CA VAL A 71 83.971 -5.077 11.314 1.00 0.21 C ATOM 1129 C VAL A 71 83.223 -3.849 11.849 1.00 0.21 C ATOM 1130 O VAL A 71 83.674 -3.188 12.767 1.00 0.22 O ATOM 1131 CB VAL A 71 84.761 -4.730 10.040 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.739 -3.583 10.312 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.544 -5.962 9.582 1.00 0.28 C ATOM 0 H VAL A 71 83.038 -6.388 9.901 1.00 0.21 H new ATOM 0 HA VAL A 71 84.628 -5.417 12.114 1.00 0.21 H new ATOM 0 HB VAL A 71 84.061 -4.420 9.264 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.290 -3.350 9.400 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.185 -2.702 10.636 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.439 -3.879 11.093 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.106 -5.721 8.679 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.234 -6.267 10.368 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.851 -6.776 9.372 1.00 0.28 H new ATOM 1143 N ILE A 72 82.124 -3.510 11.233 1.00 0.21 N ATOM 1144 CA ILE A 72 81.372 -2.283 11.638 1.00 0.22 C ATOM 1145 C ILE A 72 80.463 -2.569 12.848 1.00 0.22 C ATOM 1146 O ILE A 72 80.083 -1.657 13.562 1.00 0.23 O ATOM 1147 CB ILE A 72 80.545 -1.895 10.401 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.486 -1.628 9.221 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.736 -0.624 10.690 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.665 -1.396 7.951 1.00 0.28 C ATOM 0 H ILE A 72 81.710 -4.032 10.461 1.00 0.21 H new ATOM 0 HA ILE A 72 82.039 -1.478 11.947 1.00 0.22 H new ATOM 0 HB ILE A 72 79.865 -2.712 10.158 1.00 0.24 H new ATOM 0 HG12 ILE A 72 82.107 -0.757 9.428 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.159 -2.474 9.081 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.153 -0.356 9.809 1.00 0.27 H new ATOM 0 HG22 ILE A 72 79.064 -0.803 11.529 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.416 0.191 10.937 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.336 -1.206 7.113 1.00 0.28 H new ATOM 0 HD12 ILE A 72 80.063 -2.280 7.741 1.00 0.28 H new ATOM 0 HD13 ILE A 72 80.010 -0.536 8.093 1.00 0.28 H new ATOM 1162 N GLY A 73 80.174 -3.825 13.133 1.00 0.21 N ATOM 1163 CA GLY A 73 79.364 -4.152 14.348 1.00 0.21 C ATOM 1164 C GLY A 73 77.888 -3.835 14.088 1.00 0.20 C ATOM 1165 O GLY A 73 77.204 -3.308 14.947 1.00 0.22 O ATOM 0 H GLY A 73 80.465 -4.629 12.577 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.480 -5.206 14.601 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.724 -3.578 15.202 1.00 0.21 H new ATOM 1169 N ILE A 74 77.430 -4.040 12.878 1.00 0.20 N ATOM 1170 CA ILE A 74 76.033 -3.627 12.513 1.00 0.21 C ATOM 1171 C ILE A 74 75.051 -4.784 12.731 1.00 0.21 C ATOM 1172 O ILE A 74 75.364 -5.933 12.478 1.00 0.23 O ATOM 1173 CB ILE A 74 76.095 -3.243 11.027 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.152 -2.145 10.797 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.725 -2.733 10.575 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.830 -0.897 11.633 1.00 0.77 C ATOM 0 H ILE A 74 77.961 -4.476 12.124 1.00 0.20 H new ATOM 0 HA ILE A 74 75.683 -2.800 13.131 1.00 0.21 H new ATOM 0 HB ILE A 74 76.372 -4.124 10.448 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.139 -2.522 11.063 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.186 -1.882 9.740 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.768 -2.460 9.521 1.00 0.27 H new ATOM 0 HG22 ILE A 74 73.980 -3.516 10.717 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.449 -1.859 11.165 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.589 -0.135 11.456 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.852 -0.510 11.347 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.820 -1.160 12.691 1.00 0.77 H new ATOM 1188 N LYS A 75 73.890 -4.488 13.266 1.00 0.22 N ATOM 1189 CA LYS A 75 72.900 -5.564 13.590 1.00 0.24 C ATOM 1190 C LYS A 75 71.548 -5.285 12.898 1.00 0.24 C ATOM 1191 O LYS A 75 71.277 -4.163 12.513 1.00 0.23 O ATOM 1192 CB LYS A 75 72.726 -5.518 15.119 1.00 0.29 C ATOM 1193 CG LYS A 75 74.084 -5.659 15.827 1.00 1.19 C ATOM 1194 CD LYS A 75 74.732 -6.994 15.453 1.00 1.71 C ATOM 1195 CE LYS A 75 75.771 -7.374 16.511 1.00 2.52 C ATOM 1196 NZ LYS A 75 76.086 -8.804 16.243 1.00 3.21 N ATOM 0 H LYS A 75 73.584 -3.542 13.493 1.00 0.22 H new ATOM 0 HA LYS A 75 73.244 -6.539 13.245 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.256 -4.578 15.408 1.00 0.29 H new ATOM 0 HB3 LYS A 75 72.059 -6.319 15.438 1.00 0.29 H new ATOM 0 HG2 LYS A 75 74.739 -4.835 15.543 1.00 1.19 H new ATOM 0 HG3 LYS A 75 73.948 -5.601 16.907 1.00 1.19 H new ATOM 0 HD2 LYS A 75 73.971 -7.771 15.380 1.00 1.71 H new ATOM 0 HD3 LYS A 75 75.206 -6.918 14.474 1.00 1.71 H new ATOM 0 HE2 LYS A 75 76.662 -6.752 16.431 1.00 2.52 H new ATOM 0 HE3 LYS A 75 75.377 -7.238 17.518 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 76.793 -9.138 16.929 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 75.220 -9.373 16.333 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 76.465 -8.901 15.280 1.00 3.21 H new ATOM 1210 N PRO A 76 70.721 -6.310 12.772 1.00 0.25 N ATOM 1211 CA PRO A 76 69.393 -6.121 12.129 1.00 0.26 C ATOM 1212 C PRO A 76 68.550 -5.106 12.910 1.00 0.24 C ATOM 1213 O PRO A 76 68.453 -5.171 14.122 1.00 0.23 O ATOM 1214 CB PRO A 76 68.748 -7.509 12.175 1.00 0.29 C ATOM 1215 CG PRO A 76 69.544 -8.296 13.168 1.00 0.50 C ATOM 1216 CD PRO A 76 70.925 -7.704 13.198 1.00 0.28 C ATOM 0 HA PRO A 76 69.475 -5.733 11.114 1.00 0.26 H new ATOM 0 HB2 PRO A 76 67.702 -7.444 12.475 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.769 -7.983 11.194 1.00 0.29 H new ATOM 0 HG2 PRO A 76 69.083 -8.249 14.155 1.00 0.50 H new ATOM 0 HG3 PRO A 76 69.582 -9.348 12.884 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.361 -7.757 14.196 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.601 -8.232 12.526 1.00 0.28 H new ATOM 1224 N GLY A 77 67.893 -4.211 12.213 1.00 0.24 N ATOM 1225 CA GLY A 77 66.991 -3.228 12.889 1.00 0.24 C ATOM 1226 C GLY A 77 67.746 -1.933 13.241 1.00 0.22 C ATOM 1227 O GLY A 77 67.163 -1.012 13.784 1.00 0.24 O ATOM 0 H GLY A 77 67.944 -4.119 11.198 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.148 -2.996 12.238 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.580 -3.671 13.796 1.00 0.24 H new ATOM 1231 N GLU A 78 69.027 -1.845 12.939 1.00 0.20 N ATOM 1232 CA GLU A 78 69.797 -0.600 13.258 1.00 0.20 C ATOM 1233 C GLU A 78 69.904 0.294 12.027 1.00 0.18 C ATOM 1234 O GLU A 78 70.112 -0.184 10.928 1.00 0.18 O ATOM 1235 CB GLU A 78 71.175 -1.076 13.705 1.00 0.20 C ATOM 1236 CG GLU A 78 71.178 -1.255 15.227 1.00 0.22 C ATOM 1237 CD GLU A 78 72.592 -1.589 15.719 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.369 -2.113 14.937 1.00 1.07 O ATOM 1239 OE2 GLU A 78 72.873 -1.313 16.874 1.00 1.11 O ATOM 0 H GLU A 78 69.567 -2.582 12.486 1.00 0.20 H new ATOM 0 HA GLU A 78 69.308 -0.008 14.031 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.424 -2.018 13.216 1.00 0.20 H new ATOM 0 HB3 GLU A 78 71.936 -0.353 13.411 1.00 0.20 H new ATOM 0 HG2 GLU A 78 70.824 -0.343 15.708 1.00 0.22 H new ATOM 0 HG3 GLU A 78 70.490 -2.052 15.508 1.00 0.22 H new ATOM 1246 N VAL A 79 69.665 1.571 12.195 1.00 0.19 N ATOM 1247 CA VAL A 79 69.625 2.491 11.020 1.00 0.18 C ATOM 1248 C VAL A 79 71.002 3.117 10.757 1.00 0.18 C ATOM 1249 O VAL A 79 71.636 3.660 11.641 1.00 0.19 O ATOM 1250 CB VAL A 79 68.591 3.565 11.394 1.00 0.20 C ATOM 1251 CG1 VAL A 79 69.046 4.337 12.647 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.419 4.535 10.219 1.00 0.21 C ATOM 0 H VAL A 79 69.496 2.015 13.097 1.00 0.19 H new ATOM 0 HA VAL A 79 69.357 1.967 10.102 1.00 0.18 H new ATOM 0 HB VAL A 79 67.639 3.081 11.612 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.303 5.094 12.898 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.155 3.644 13.482 1.00 0.24 H new ATOM 0 HG13 VAL A 79 70.003 4.820 12.449 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.686 5.298 10.481 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.374 5.011 9.997 1.00 0.21 H new ATOM 0 HG23 VAL A 79 68.074 3.987 9.342 1.00 0.21 H new ATOM 1262 N ILE A 80 71.412 3.108 9.517 1.00 0.17 N ATOM 1263 CA ILE A 80 72.690 3.765 9.118 1.00 0.17 C ATOM 1264 C ILE A 80 72.403 4.809 8.030 1.00 0.17 C ATOM 1265 O ILE A 80 71.422 4.710 7.314 1.00 0.17 O ATOM 1266 CB ILE A 80 73.579 2.631 8.578 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.901 1.963 7.376 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.811 1.592 9.678 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.845 0.930 6.756 1.00 0.18 C ATOM 0 H ILE A 80 70.906 2.665 8.750 1.00 0.17 H new ATOM 0 HA ILE A 80 73.176 4.284 9.944 1.00 0.17 H new ATOM 0 HB ILE A 80 74.536 3.047 8.263 1.00 0.17 H new ATOM 0 HG12 ILE A 80 71.976 1.481 7.691 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.632 2.715 6.634 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.441 0.790 9.294 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.304 2.065 10.527 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.854 1.180 9.997 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.358 0.458 5.902 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.759 1.424 6.425 1.00 0.18 H new ATOM 0 HD13 ILE A 80 74.091 0.171 7.498 1.00 0.18 H new ATOM 1281 N GLU A 81 73.291 5.749 7.852 1.00 0.18 N ATOM 1282 CA GLU A 81 73.134 6.746 6.754 1.00 0.18 C ATOM 1283 C GLU A 81 73.998 6.322 5.570 1.00 0.17 C ATOM 1284 O GLU A 81 75.105 5.848 5.748 1.00 0.19 O ATOM 1285 CB GLU A 81 73.629 8.066 7.347 1.00 0.20 C ATOM 1286 CG GLU A 81 73.382 9.202 6.352 1.00 0.21 C ATOM 1287 CD GLU A 81 73.950 10.504 6.918 1.00 0.23 C ATOM 1288 OE1 GLU A 81 75.013 10.454 7.515 1.00 1.04 O ATOM 1289 OE2 GLU A 81 73.313 11.530 6.745 1.00 1.14 O ATOM 0 H GLU A 81 74.126 5.870 8.425 1.00 0.18 H new ATOM 0 HA GLU A 81 72.108 6.832 6.395 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.112 8.272 8.284 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.692 7.996 7.578 1.00 0.20 H new ATOM 0 HG2 GLU A 81 73.853 8.972 5.396 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.314 9.310 6.164 1.00 0.21 H new ATOM 1296 N VAL A 82 73.427 6.316 4.395 1.00 0.16 N ATOM 1297 CA VAL A 82 74.124 5.720 3.219 1.00 0.17 C ATOM 1298 C VAL A 82 74.418 6.797 2.172 1.00 0.16 C ATOM 1299 O VAL A 82 73.547 7.542 1.767 1.00 0.17 O ATOM 1300 CB VAL A 82 73.145 4.671 2.676 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.737 3.999 1.436 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.895 3.607 3.746 1.00 0.19 C ATOM 0 H VAL A 82 72.503 6.700 4.199 1.00 0.16 H new ATOM 0 HA VAL A 82 75.085 5.278 3.482 1.00 0.17 H new ATOM 0 HB VAL A 82 72.208 5.162 2.412 1.00 0.18 H new ATOM 0 HG11 VAL A 82 73.037 3.255 1.056 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.921 4.750 0.668 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.676 3.512 1.699 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.200 2.861 3.362 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.837 3.125 4.007 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.470 4.076 4.633 1.00 0.19 H new ATOM 1312 N LEU A 83 75.642 6.852 1.721 1.00 0.16 N ATOM 1313 CA LEU A 83 76.034 7.844 0.675 1.00 0.17 C ATOM 1314 C LEU A 83 76.450 7.099 -0.596 1.00 0.15 C ATOM 1315 O LEU A 83 77.346 6.279 -0.553 1.00 0.12 O ATOM 1316 CB LEU A 83 77.262 8.588 1.239 1.00 0.21 C ATOM 1317 CG LEU A 83 77.010 9.094 2.666 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.263 9.804 3.179 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.830 10.063 2.663 1.00 0.20 C ATOM 0 H LEU A 83 76.398 6.244 2.036 1.00 0.16 H new ATOM 0 HA LEU A 83 75.216 8.523 0.436 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.125 7.922 1.236 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.507 9.430 0.592 1.00 0.21 H new ATOM 0 HG LEU A 83 76.779 8.252 3.318 1.00 0.20 H new ATOM 0 HD11 LEU A 83 78.088 10.165 4.192 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.101 9.107 3.182 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.495 10.647 2.529 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.651 10.422 3.677 1.00 0.20 H new ATOM 0 HD22 LEU A 83 76.055 10.908 2.013 1.00 0.20 H new ATOM 0 HD23 LEU A 83 74.940 9.551 2.297 1.00 0.20 H new ATOM 1331 N LEU A 84 75.928 7.482 -1.735 1.00 0.16 N ATOM 1332 CA LEU A 84 76.440 6.906 -3.019 1.00 0.15 C ATOM 1333 C LEU A 84 77.734 7.612 -3.423 1.00 0.15 C ATOM 1334 O LEU A 84 77.883 8.802 -3.223 1.00 0.17 O ATOM 1335 CB LEU A 84 75.344 7.151 -4.050 1.00 0.18 C ATOM 1336 CG LEU A 84 74.346 5.991 -4.008 1.00 0.21 C ATOM 1337 CD1 LEU A 84 72.943 6.483 -4.403 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.813 4.905 -4.984 1.00 0.28 C ATOM 0 H LEU A 84 75.175 8.163 -1.832 1.00 0.16 H new ATOM 0 HA LEU A 84 76.666 5.843 -2.931 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.835 8.092 -3.841 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.778 7.238 -5.046 1.00 0.18 H new ATOM 0 HG LEU A 84 74.297 5.586 -2.997 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.242 5.649 -4.369 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.620 7.257 -3.707 1.00 0.20 H new ATOM 0 HD13 LEU A 84 72.972 6.892 -5.413 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.111 4.072 -4.964 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.859 5.317 -5.992 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.802 4.553 -4.691 1.00 0.28 H new ATOM 1350 N LEU A 85 78.690 6.872 -3.922 1.00 0.14 N ATOM 1351 CA LEU A 85 80.012 7.472 -4.267 1.00 0.17 C ATOM 1352 C LEU A 85 80.198 7.547 -5.785 1.00 0.18 C ATOM 1353 O LEU A 85 80.852 8.447 -6.284 1.00 0.24 O ATOM 1354 CB LEU A 85 81.045 6.539 -3.636 1.00 0.22 C ATOM 1355 CG LEU A 85 81.351 7.010 -2.213 1.00 0.89 C ATOM 1356 CD1 LEU A 85 82.047 5.888 -1.441 1.00 1.13 C ATOM 1357 CD2 LEU A 85 82.268 8.236 -2.269 1.00 1.60 C ATOM 0 H LEU A 85 78.610 5.872 -4.106 1.00 0.14 H new ATOM 0 HA LEU A 85 80.106 8.494 -3.899 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.666 5.517 -3.619 1.00 0.22 H new ATOM 0 HB3 LEU A 85 81.957 6.531 -4.233 1.00 0.22 H new ATOM 0 HG LEU A 85 80.421 7.273 -1.710 1.00 0.89 H new ATOM 0 HD11 LEU A 85 82.265 6.224 -0.427 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.395 5.015 -1.402 1.00 1.13 H new ATOM 0 HD13 LEU A 85 82.978 5.624 -1.943 1.00 1.13 H new ATOM 0 HD21 LEU A 85 82.487 8.573 -1.256 1.00 1.60 H new ATOM 0 HD22 LEU A 85 83.198 7.972 -2.773 1.00 1.60 H new ATOM 0 HD23 LEU A 85 81.772 9.036 -2.818 1.00 1.60 H new ATOM 1369 N GLY A 86 79.680 6.585 -6.516 1.00 0.16 N ATOM 1370 CA GLY A 86 79.893 6.582 -8.003 1.00 0.20 C ATOM 1371 C GLY A 86 78.993 5.546 -8.685 1.00 0.17 C ATOM 1372 O GLY A 86 78.140 4.949 -8.061 1.00 0.15 O ATOM 0 H GLY A 86 79.125 5.810 -6.153 1.00 0.16 H new ATOM 0 HA2 GLY A 86 79.683 7.573 -8.406 1.00 0.20 H new ATOM 0 HA3 GLY A 86 80.938 6.363 -8.224 1.00 0.20 H new ATOM 1376 N HIS A 87 79.159 5.365 -9.977 1.00 0.20 N ATOM 1377 CA HIS A 87 78.286 4.409 -10.736 1.00 0.19 C ATOM 1378 C HIS A 87 79.090 3.690 -11.832 1.00 0.19 C ATOM 1379 O HIS A 87 80.063 4.217 -12.341 1.00 0.24 O ATOM 1380 CB HIS A 87 77.183 5.280 -11.363 1.00 0.28 C ATOM 1381 CG HIS A 87 77.787 6.332 -12.261 1.00 0.76 C ATOM 1382 ND1 HIS A 87 78.033 6.103 -13.606 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.198 7.619 -12.019 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.570 7.227 -14.117 1.00 1.57 C ATOM 1385 NE2 HIS A 87 78.692 8.182 -13.193 1.00 1.89 N ATOM 0 H HIS A 87 79.864 5.840 -10.540 1.00 0.20 H new ATOM 0 HA HIS A 87 77.877 3.634 -10.088 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.499 4.654 -11.936 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.597 5.757 -10.577 1.00 0.28 H new ATOM 0 HD2 HIS A 87 78.146 8.119 -11.063 1.00 1.72 H new ATOM 0 HE1 HIS A 87 78.866 7.342 -15.149 1.00 1.57 H new ATOM 0 HE2 HIS A 87 79.067 9.122 -13.319 1.00 1.89 H new ATOM 1393 N TYR A 88 78.648 2.522 -12.240 1.00 0.16 N ATOM 1394 CA TYR A 88 79.330 1.797 -13.354 1.00 0.19 C ATOM 1395 C TYR A 88 78.294 1.116 -14.255 1.00 0.21 C ATOM 1396 O TYR A 88 77.270 0.648 -13.789 1.00 0.17 O ATOM 1397 CB TYR A 88 80.217 0.757 -12.669 1.00 0.21 C ATOM 1398 CG TYR A 88 81.315 1.457 -11.905 1.00 0.32 C ATOM 1399 CD1 TYR A 88 82.506 1.876 -12.585 1.00 0.66 C ATOM 1400 CD2 TYR A 88 81.166 1.704 -10.498 1.00 0.59 C ATOM 1401 CE1 TYR A 88 83.551 2.542 -11.859 1.00 0.77 C ATOM 1402 CE2 TYR A 88 82.210 2.369 -9.774 1.00 0.70 C ATOM 1403 CZ TYR A 88 83.402 2.788 -10.454 1.00 0.65 C ATOM 1404 OH TYR A 88 84.406 3.428 -9.755 1.00 0.80 O ATOM 0 H TYR A 88 77.840 2.040 -11.845 1.00 0.16 H new ATOM 0 HA TYR A 88 79.909 2.467 -13.989 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.621 0.145 -11.992 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.647 0.085 -13.411 1.00 0.21 H new ATOM 0 HD1 TYR A 88 82.617 1.691 -13.643 1.00 0.66 H new ATOM 0 HD2 TYR A 88 80.269 1.389 -9.986 1.00 0.59 H new ATOM 0 HE1 TYR A 88 84.448 2.857 -12.371 1.00 0.77 H new ATOM 0 HE2 TYR A 88 82.099 2.555 -8.716 1.00 0.70 H new ATOM 0 HH TYR A 88 84.145 3.516 -8.815 1.00 0.80 H new