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+ -130:sc= 1 (180deg=-1.12) USER MOD Single : A 8 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-2.8!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -8:sc= -2.08 USER MOD Single : A 12 HIS : no HD1:sc= -0.543 X(o=-0.54,f=-0.19) USER MOD Single : A 23 THR OG1 : rot -100:sc= -1.1 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -173:sc= -1.05 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+ -156:sc= -0.156 (180deg=-1.02) 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= -2.51 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0977 X(o=-0.098,f=-0.33) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00626) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.108 K(o=-0.11,f=-0.84) USER MOD Single : A 88 TYR OH : rot 172:sc= 0.0123 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 78.858 12.998 -3.357 1.00 0.40 N ATOM 33 CA VAL A 3 77.852 11.918 -3.185 1.00 0.33 C ATOM 34 C VAL A 3 76.788 12.022 -4.288 1.00 0.31 C ATOM 35 O VAL A 3 76.329 13.103 -4.614 1.00 0.37 O ATOM 36 CB VAL A 3 77.280 12.137 -1.761 1.00 0.36 C ATOM 37 CG1 VAL A 3 76.196 13.230 -1.723 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.686 10.823 -1.247 1.00 0.30 C ATOM 0 HA VAL A 3 78.265 10.913 -3.276 1.00 0.33 H new ATOM 0 HB VAL A 3 78.102 12.467 -1.126 1.00 0.36 H new ATOM 0 HG11 VAL A 3 75.829 13.343 -0.703 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.620 14.175 -2.063 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.371 12.947 -2.376 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.283 10.973 -0.246 1.00 0.30 H new ATOM 0 HG22 VAL A 3 75.888 10.499 -1.915 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.464 10.060 -1.214 1.00 0.30 H new ATOM 48 N LEU A 4 76.409 10.915 -4.860 1.00 0.26 N ATOM 49 CA LEU A 4 75.385 10.939 -5.948 1.00 0.28 C ATOM 50 C LEU A 4 73.970 10.948 -5.349 1.00 0.28 C ATOM 51 O LEU A 4 73.031 11.410 -5.971 1.00 0.30 O ATOM 52 CB LEU A 4 75.631 9.661 -6.775 1.00 0.27 C ATOM 53 CG LEU A 4 77.118 9.534 -7.186 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.283 8.347 -8.136 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.605 10.816 -7.885 1.00 0.37 C ATOM 0 H LEU A 4 76.764 9.989 -4.622 1.00 0.26 H new ATOM 0 HA LEU A 4 75.466 11.832 -6.567 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.336 8.787 -6.194 1.00 0.27 H new ATOM 0 HB3 LEU A 4 75.005 9.677 -7.667 1.00 0.27 H new ATOM 0 HG LEU A 4 77.714 9.380 -6.286 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.330 8.256 -8.426 1.00 0.36 H new ATOM 0 HD12 LEU A 4 76.965 7.433 -7.635 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.672 8.505 -9.025 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.652 10.703 -8.164 1.00 0.37 H new ATOM 0 HD22 LEU A 4 77.008 10.992 -8.780 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.500 11.663 -7.207 1.00 0.37 H new ATOM 67 N ALA A 5 73.825 10.506 -4.118 1.00 0.25 N ATOM 68 CA ALA A 5 72.495 10.555 -3.436 1.00 0.25 C ATOM 69 C ALA A 5 72.668 10.160 -1.969 1.00 0.23 C ATOM 70 O ALA A 5 73.630 9.505 -1.612 1.00 0.25 O ATOM 71 CB ALA A 5 71.616 9.536 -4.167 1.00 0.26 C ATOM 0 H ALA A 5 74.579 10.111 -3.556 1.00 0.25 H new ATOM 0 HA ALA A 5 72.049 11.549 -3.463 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.624 9.521 -3.716 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.533 9.815 -5.218 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.065 8.546 -4.089 1.00 0.26 H new ATOM 77 N LYS A 6 71.778 10.596 -1.114 1.00 0.22 N ATOM 78 CA LYS A 6 71.921 10.298 0.345 1.00 0.22 C ATOM 79 C LYS A 6 70.587 9.813 0.918 1.00 0.21 C ATOM 80 O LYS A 6 69.573 10.475 0.783 1.00 0.23 O ATOM 81 CB LYS A 6 72.321 11.636 0.967 1.00 0.24 C ATOM 82 CG LYS A 6 72.690 11.431 2.435 1.00 1.40 C ATOM 83 CD LYS A 6 73.146 12.763 3.034 1.00 1.50 C ATOM 84 CE LYS A 6 74.074 12.497 4.222 1.00 1.79 C ATOM 85 NZ LYS A 6 73.709 13.528 5.233 1.00 2.30 N ATOM 0 H LYS A 6 70.956 11.147 -1.363 1.00 0.22 H new ATOM 0 HA LYS A 6 72.651 9.514 0.546 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.166 12.062 0.426 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.499 12.347 0.884 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.833 11.046 2.987 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.484 10.689 2.522 1.00 1.40 H new ATOM 0 HD2 LYS A 6 73.664 13.355 2.279 1.00 1.50 H new ATOM 0 HD3 LYS A 6 72.282 13.344 3.357 1.00 1.50 H new ATOM 0 HE2 LYS A 6 73.933 11.490 4.616 1.00 1.79 H new ATOM 0 HE3 LYS A 6 75.121 12.582 3.932 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 74.570 14.006 5.567 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 73.070 14.226 4.802 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 73.232 13.072 6.037 1.00 2.30 H new ATOM 99 N PHE A 7 70.578 8.661 1.551 1.00 0.19 N ATOM 100 CA PHE A 7 69.302 8.130 2.126 1.00 0.19 C ATOM 101 C PHE A 7 69.582 7.255 3.355 1.00 0.17 C ATOM 102 O PHE A 7 70.704 6.860 3.600 1.00 0.16 O ATOM 103 CB PHE A 7 68.662 7.325 0.985 1.00 0.20 C ATOM 104 CG PHE A 7 69.537 6.152 0.592 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.757 6.372 -0.131 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.142 4.817 0.939 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.581 5.258 -0.507 1.00 0.19 C ATOM 108 CE2 PHE A 7 69.966 3.704 0.562 1.00 0.20 C ATOM 109 CZ PHE A 7 71.184 3.924 -0.159 1.00 0.20 C ATOM 0 H PHE A 7 71.397 8.069 1.693 1.00 0.19 H new ATOM 0 HA PHE A 7 68.640 8.922 2.475 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.681 6.964 1.295 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.505 7.972 0.122 1.00 0.20 H new ATOM 0 HD1 PHE A 7 71.056 7.376 -0.392 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.225 4.650 1.484 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.499 5.424 -1.051 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.667 2.699 0.822 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.804 3.085 -0.441 1.00 0.20 H new ATOM 119 N HIS A 8 68.577 7.008 4.159 1.00 0.18 N ATOM 120 CA HIS A 8 68.782 6.222 5.418 1.00 0.18 C ATOM 121 C HIS A 8 68.052 4.877 5.329 1.00 0.17 C ATOM 122 O HIS A 8 66.925 4.802 4.876 1.00 0.18 O ATOM 123 CB HIS A 8 68.170 7.084 6.524 1.00 0.20 C ATOM 124 CG HIS A 8 68.924 8.381 6.630 1.00 0.77 C ATOM 125 ND1 HIS A 8 68.578 9.500 5.889 1.00 1.41 N ATOM 126 CD2 HIS A 8 70.006 8.754 7.388 1.00 1.61 C ATOM 127 CE1 HIS A 8 69.436 10.484 6.214 1.00 1.81 C ATOM 128 NE2 HIS A 8 70.328 10.082 7.124 1.00 1.99 N ATOM 0 H HIS A 8 67.619 7.318 3.998 1.00 0.18 H new ATOM 0 HA HIS A 8 69.834 6.003 5.600 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.120 7.279 6.307 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.206 6.552 7.475 1.00 0.20 H new ATOM 0 HD2 HIS A 8 70.528 8.114 8.084 1.00 1.61 H new ATOM 0 HE1 HIS A 8 69.407 11.477 5.791 1.00 1.81 H new ATOM 0 HE2 HIS A 8 71.083 10.630 7.536 1.00 1.99 H new ATOM 136 N THR A 9 68.677 3.829 5.801 1.00 0.16 N ATOM 137 CA THR A 9 68.022 2.483 5.801 1.00 0.17 C ATOM 138 C THR A 9 68.565 1.644 6.969 1.00 0.16 C ATOM 139 O THR A 9 69.628 1.927 7.485 1.00 0.15 O ATOM 140 CB THR A 9 68.366 1.863 4.430 1.00 0.17 C ATOM 141 OG1 THR A 9 67.620 0.668 4.257 1.00 0.18 O ATOM 142 CG2 THR A 9 69.865 1.548 4.330 1.00 0.17 C ATOM 0 H THR A 9 69.620 3.847 6.190 1.00 0.16 H new ATOM 0 HA THR A 9 66.942 2.534 5.938 1.00 0.17 H new ATOM 0 HB THR A 9 68.112 2.581 3.650 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.834 0.272 3.387 1.00 0.18 H new ATOM 0 HG21 THR A 9 70.081 1.112 3.355 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.439 2.467 4.452 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.141 0.841 5.112 1.00 0.17 H new ATOM 150 N THR A 10 67.877 0.592 7.348 1.00 0.17 N ATOM 151 CA THR A 10 68.403 -0.288 8.439 1.00 0.17 C ATOM 152 C THR A 10 68.810 -1.653 7.864 1.00 0.17 C ATOM 153 O THR A 10 68.403 -2.023 6.777 1.00 0.17 O ATOM 154 CB THR A 10 67.263 -0.397 9.487 1.00 0.17 C ATOM 155 OG1 THR A 10 67.792 -0.894 10.704 1.00 0.17 O ATOM 156 CG2 THR A 10 66.144 -1.340 9.027 1.00 0.17 C ATOM 0 H THR A 10 66.981 0.307 6.952 1.00 0.17 H new ATOM 0 HA THR A 10 69.300 0.118 8.907 1.00 0.17 H new ATOM 0 HB THR A 10 66.842 0.600 9.616 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.721 -1.174 10.567 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.369 -1.385 9.792 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.715 -0.969 8.096 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.552 -2.338 8.865 1.00 0.17 H new ATOM 164 N VAL A 11 69.659 -2.364 8.559 1.00 0.17 N ATOM 165 CA VAL A 11 70.162 -3.670 8.030 1.00 0.17 C ATOM 166 C VAL A 11 69.120 -4.770 8.253 1.00 0.17 C ATOM 167 O VAL A 11 68.598 -4.931 9.337 1.00 0.17 O ATOM 168 CB VAL A 11 71.442 -3.971 8.825 1.00 0.21 C ATOM 169 CG1 VAL A 11 72.056 -5.289 8.336 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.454 -2.833 8.624 1.00 0.49 C ATOM 0 H VAL A 11 70.027 -2.097 9.472 1.00 0.17 H new ATOM 0 HA VAL A 11 70.356 -3.627 6.958 1.00 0.17 H new ATOM 0 HB VAL A 11 71.195 -4.056 9.883 1.00 0.21 H new ATOM 0 HG11 VAL A 11 72.964 -5.500 8.902 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.342 -6.099 8.481 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.300 -5.206 7.277 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.361 -3.049 9.189 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.698 -2.746 7.565 1.00 0.49 H new ATOM 0 HG23 VAL A 11 72.022 -1.896 8.975 1.00 0.49 H new ATOM 180 N HIS A 12 68.899 -5.580 7.252 1.00 0.21 N ATOM 181 CA HIS A 12 67.990 -6.755 7.402 1.00 0.25 C ATOM 182 C HIS A 12 68.789 -8.044 7.251 1.00 0.25 C ATOM 183 O HIS A 12 69.971 -8.026 6.967 1.00 0.25 O ATOM 184 CB HIS A 12 66.952 -6.640 6.288 1.00 0.26 C ATOM 185 CG HIS A 12 65.825 -5.756 6.748 1.00 0.31 C ATOM 186 ND1 HIS A 12 66.015 -4.418 7.055 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.493 -6.006 6.964 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.826 -3.918 7.436 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.863 -4.844 7.398 1.00 0.56 N ATOM 0 H HIS A 12 69.314 -5.477 6.326 1.00 0.21 H new ATOM 0 HA HIS A 12 67.512 -6.772 8.382 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.410 -6.227 5.390 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.572 -7.627 6.026 1.00 0.26 H new ATOM 0 HD2 HIS A 12 64.008 -6.960 6.819 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.668 -2.893 7.736 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.878 -4.725 7.636 1.00 0.56 H new ATOM 197 N ARG A 13 68.166 -9.164 7.518 1.00 0.29 N ATOM 198 CA ARG A 13 68.885 -10.486 7.480 1.00 0.32 C ATOM 199 C ARG A 13 69.747 -10.637 6.211 1.00 0.29 C ATOM 200 O ARG A 13 69.526 -9.976 5.216 1.00 0.24 O ATOM 201 CB ARG A 13 67.765 -11.526 7.474 1.00 0.36 C ATOM 202 CG ARG A 13 67.070 -11.539 8.838 1.00 0.72 C ATOM 203 CD ARG A 13 66.027 -12.659 8.869 1.00 1.16 C ATOM 204 NE ARG A 13 65.272 -12.456 10.148 1.00 1.81 N ATOM 205 CZ ARG A 13 64.061 -12.954 10.327 1.00 2.39 C ATOM 206 NH1 ARG A 13 63.451 -13.658 9.397 1.00 2.96 N ATOM 207 NH2 ARG A 13 63.452 -12.744 11.462 1.00 2.76 N ATOM 0 H ARG A 13 67.178 -9.225 7.764 1.00 0.29 H new ATOM 0 HA ARG A 13 69.569 -10.591 8.322 1.00 0.32 H new ATOM 0 HB2 ARG A 13 67.044 -11.295 6.689 1.00 0.36 H new ATOM 0 HB3 ARG A 13 68.172 -12.513 7.252 1.00 0.36 H new ATOM 0 HG2 ARG A 13 67.803 -11.689 9.630 1.00 0.72 H new ATOM 0 HG3 ARG A 13 66.592 -10.577 9.024 1.00 0.72 H new ATOM 0 HD2 ARG A 13 65.363 -12.603 8.006 1.00 1.16 H new ATOM 0 HD3 ARG A 13 66.501 -13.640 8.843 1.00 1.16 H new ATOM 0 HE ARG A 13 65.704 -11.919 10.900 1.00 1.81 H new ATOM 0 HH11 ARG A 13 63.913 -13.834 8.505 1.00 2.96 H new ATOM 0 HH12 ARG A 13 62.516 -14.028 9.568 1.00 2.96 H new ATOM 0 HH21 ARG A 13 63.911 -12.203 12.195 1.00 2.76 H new ATOM 0 HH22 ARG A 13 62.517 -13.121 11.617 1.00 2.76 H new ATOM 221 N ILE A 14 70.796 -11.427 6.295 1.00 0.34 N ATOM 222 CA ILE A 14 71.785 -11.578 5.161 1.00 0.34 C ATOM 223 C ILE A 14 72.511 -10.258 4.827 1.00 0.28 C ATOM 224 O ILE A 14 73.246 -10.200 3.858 1.00 0.29 O ATOM 225 CB ILE A 14 70.990 -12.059 3.931 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.183 -13.315 4.276 1.00 0.31 C ATOM 227 CG2 ILE A 14 71.964 -12.393 2.801 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.175 -13.586 3.159 1.00 0.36 C ATOM 0 H ILE A 14 71.017 -11.987 7.118 1.00 0.34 H new ATOM 0 HA ILE A 14 72.558 -12.289 5.453 1.00 0.34 H new ATOM 0 HB ILE A 14 70.307 -11.267 3.622 1.00 0.36 H new ATOM 0 HG12 ILE A 14 70.850 -14.169 4.396 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.665 -13.180 5.225 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.406 -12.734 1.929 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.538 -11.504 2.540 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.644 -13.180 3.127 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.598 -14.479 3.399 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.502 -12.734 3.061 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.706 -13.739 2.219 1.00 0.36 H new ATOM 240 N GLY A 15 72.335 -9.209 5.609 1.00 0.24 N ATOM 241 CA GLY A 15 73.042 -7.924 5.313 1.00 0.20 C ATOM 242 C GLY A 15 72.340 -7.179 4.167 1.00 0.17 C ATOM 243 O GLY A 15 72.929 -6.315 3.541 1.00 0.15 O ATOM 0 H GLY A 15 71.735 -9.193 6.433 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.061 -7.298 6.205 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.079 -8.126 5.043 1.00 0.20 H new ATOM 247 N ARG A 16 71.118 -7.544 3.840 1.00 0.18 N ATOM 248 CA ARG A 16 70.418 -6.896 2.689 1.00 0.18 C ATOM 249 C ARG A 16 69.762 -5.586 3.133 1.00 0.19 C ATOM 250 O ARG A 16 69.128 -5.527 4.168 1.00 0.24 O ATOM 251 CB ARG A 16 69.358 -7.914 2.246 1.00 0.26 C ATOM 252 CG ARG A 16 68.577 -7.366 1.047 1.00 0.26 C ATOM 253 CD ARG A 16 67.629 -8.446 0.516 1.00 0.76 C ATOM 254 NE ARG A 16 66.581 -8.602 1.575 1.00 0.91 N ATOM 255 CZ ARG A 16 65.840 -9.693 1.667 1.00 1.31 C ATOM 256 NH1 ARG A 16 65.982 -10.703 0.835 1.00 1.96 N ATOM 257 NH2 ARG A 16 64.943 -9.772 2.610 1.00 1.41 N ATOM 0 H ARG A 16 70.579 -8.263 4.323 1.00 0.18 H new ATOM 0 HA ARG A 16 71.102 -6.643 1.879 1.00 0.18 H new ATOM 0 HB2 ARG A 16 69.836 -8.857 1.980 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.676 -8.124 3.070 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.010 -6.483 1.342 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.266 -7.055 0.262 1.00 0.26 H new ATOM 0 HD2 ARG A 16 67.187 -8.149 -0.435 1.00 0.76 H new ATOM 0 HD3 ARG A 16 68.157 -9.384 0.343 1.00 0.76 H new ATOM 0 HE ARG A 16 66.435 -7.846 2.244 1.00 0.91 H new ATOM 0 HH11 ARG A 16 66.680 -10.658 0.092 1.00 1.96 H new ATOM 0 HH12 ARG A 16 65.394 -11.531 0.933 1.00 1.96 H new ATOM 0 HH21 ARG A 16 64.821 -8.999 3.264 1.00 1.41 H new ATOM 0 HH22 ARG A 16 64.364 -10.607 2.694 1.00 1.41 H new ATOM 271 N ILE A 17 69.778 -4.595 2.277 1.00 0.18 N ATOM 272 CA ILE A 17 68.993 -3.349 2.546 1.00 0.21 C ATOM 273 C ILE A 17 68.188 -2.975 1.295 1.00 0.19 C ATOM 274 O ILE A 17 68.592 -3.281 0.188 1.00 0.15 O ATOM 275 CB ILE A 17 70.029 -2.264 2.893 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.978 -2.034 1.708 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.842 -2.702 4.112 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.797 -0.757 1.934 1.00 0.30 C ATOM 0 H ILE A 17 70.302 -4.594 1.402 1.00 0.18 H new ATOM 0 HA ILE A 17 68.281 -3.472 3.362 1.00 0.21 H new ATOM 0 HB ILE A 17 69.503 -1.335 3.114 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.645 -2.889 1.594 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.406 -1.951 0.784 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.575 -1.933 4.356 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.174 -2.850 4.961 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.357 -3.636 3.889 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.468 -0.601 1.089 1.00 0.30 H new ATOM 0 HD12 ILE A 17 71.124 0.095 2.026 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.382 -0.857 2.848 1.00 0.30 H new ATOM 290 N ILE A 18 67.098 -2.266 1.458 1.00 0.23 N ATOM 291 CA ILE A 18 66.313 -1.811 0.266 1.00 0.20 C ATOM 292 C ILE A 18 66.310 -0.288 0.194 1.00 0.20 C ATOM 293 O ILE A 18 65.934 0.383 1.139 1.00 0.22 O ATOM 294 CB ILE A 18 64.884 -2.332 0.474 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.884 -3.858 0.687 1.00 0.25 C ATOM 296 CG2 ILE A 18 64.037 -1.987 -0.757 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.537 -4.570 -0.506 1.00 0.24 C ATOM 0 H ILE A 18 66.718 -1.983 2.361 1.00 0.23 H new ATOM 0 HA ILE A 18 66.743 -2.185 -0.663 1.00 0.20 H new ATOM 0 HB ILE A 18 64.464 -1.859 1.362 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.422 -4.103 1.603 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.861 -4.213 0.814 1.00 0.25 H new ATOM 0 HG21 ILE A 18 63.021 -2.355 -0.614 1.00 0.22 H new ATOM 0 HG22 ILE A 18 64.016 -0.906 -0.893 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.472 -2.455 -1.640 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.527 -5.647 -0.337 1.00 0.24 H new ATOM 0 HD12 ILE A 18 64.981 -4.341 -1.415 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.567 -4.229 -0.614 1.00 0.24 H new ATOM 309 N ILE A 19 66.649 0.257 -0.948 1.00 0.17 N ATOM 310 CA ILE A 19 66.580 1.741 -1.119 1.00 0.17 C ATOM 311 C ILE A 19 65.127 2.155 -1.389 1.00 0.19 C ATOM 312 O ILE A 19 64.431 1.473 -2.110 1.00 0.17 O ATOM 313 CB ILE A 19 67.479 2.063 -2.324 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.910 1.567 -2.015 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.473 3.585 -2.554 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.900 1.997 -3.104 1.00 0.23 C ATOM 0 H ILE A 19 66.970 -0.260 -1.767 1.00 0.17 H new ATOM 0 HA ILE A 19 66.912 2.280 -0.231 1.00 0.17 H new ATOM 0 HB ILE A 19 67.115 1.568 -3.224 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.233 1.961 -1.052 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.909 0.480 -1.931 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.108 3.827 -3.407 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.455 3.919 -2.753 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.853 4.089 -1.665 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.896 1.632 -2.855 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.590 1.581 -4.062 1.00 0.23 H new ATOM 0 HD13 ILE A 19 69.919 3.085 -3.170 1.00 0.23 H new ATOM 328 N PRO A 20 64.730 3.310 -0.891 1.00 0.24 N ATOM 329 CA PRO A 20 63.373 3.831 -1.212 1.00 0.28 C ATOM 330 C PRO A 20 63.266 4.099 -2.706 1.00 0.26 C ATOM 331 O PRO A 20 64.219 4.519 -3.334 1.00 0.25 O ATOM 332 CB PRO A 20 63.298 5.132 -0.422 1.00 0.34 C ATOM 333 CG PRO A 20 64.728 5.527 -0.266 1.00 0.35 C ATOM 334 CD PRO A 20 65.459 4.242 -0.010 1.00 0.29 C ATOM 0 HA PRO A 20 62.568 3.140 -0.960 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.727 5.893 -0.955 1.00 0.34 H new ATOM 0 HB3 PRO A 20 62.814 4.988 0.544 1.00 0.34 H new ATOM 0 HG2 PRO A 20 65.101 6.022 -1.163 1.00 0.35 H new ATOM 0 HG3 PRO A 20 64.857 6.226 0.560 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.515 4.312 -0.270 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.408 3.942 1.037 1.00 0.29 H new ATOM 342 N ALA A 21 62.119 3.850 -3.277 1.00 0.28 N ATOM 343 CA ALA A 21 61.942 4.062 -4.750 1.00 0.29 C ATOM 344 C ALA A 21 62.273 5.513 -5.126 1.00 0.31 C ATOM 345 O ALA A 21 62.656 5.800 -6.246 1.00 0.32 O ATOM 346 CB ALA A 21 60.467 3.763 -5.031 1.00 0.33 C ATOM 0 H ALA A 21 61.292 3.508 -2.789 1.00 0.28 H new ATOM 0 HA ALA A 21 62.604 3.422 -5.333 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.264 3.898 -6.093 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.244 2.735 -4.747 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.841 4.443 -4.453 1.00 0.33 H new ATOM 352 N GLY A 22 62.121 6.426 -4.193 1.00 0.34 N ATOM 353 CA GLY A 22 62.412 7.862 -4.493 1.00 0.38 C ATOM 354 C GLY A 22 63.897 8.038 -4.812 1.00 0.37 C ATOM 355 O GLY A 22 64.260 8.716 -5.759 1.00 0.39 O ATOM 0 H GLY A 22 61.809 6.237 -3.240 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.808 8.196 -5.337 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.139 8.483 -3.640 1.00 0.38 H new ATOM 359 N THR A 23 64.757 7.439 -4.025 1.00 0.34 N ATOM 360 CA THR A 23 66.225 7.580 -4.271 1.00 0.34 C ATOM 361 C THR A 23 66.617 6.841 -5.550 1.00 0.30 C ATOM 362 O THR A 23 67.443 7.308 -6.312 1.00 0.32 O ATOM 363 CB THR A 23 66.911 6.956 -3.053 1.00 0.34 C ATOM 364 OG1 THR A 23 66.464 7.612 -1.875 1.00 0.39 O ATOM 365 CG2 THR A 23 68.429 7.111 -3.180 1.00 0.37 C ATOM 0 H THR A 23 64.506 6.859 -3.224 1.00 0.34 H new ATOM 0 HA THR A 23 66.518 8.622 -4.401 1.00 0.34 H new ATOM 0 HB THR A 23 66.661 5.896 -2.999 1.00 0.34 H new ATOM 0 HG1 THR A 23 67.136 8.266 -1.590 1.00 0.39 H new ATOM 0 HG21 THR A 23 68.914 6.666 -2.311 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.772 6.608 -4.084 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.683 8.169 -3.235 1.00 0.37 H new ATOM 373 N ARG A 24 66.008 5.705 -5.814 1.00 0.26 N ATOM 374 CA ARG A 24 66.328 4.947 -7.079 1.00 0.25 C ATOM 375 C ARG A 24 66.097 5.851 -8.294 1.00 0.28 C ATOM 376 O ARG A 24 66.852 5.832 -9.245 1.00 0.29 O ATOM 377 CB ARG A 24 65.363 3.752 -7.165 1.00 0.25 C ATOM 378 CG ARG A 24 65.295 2.981 -5.843 1.00 0.23 C ATOM 379 CD ARG A 24 64.944 1.522 -6.122 1.00 0.24 C ATOM 380 NE ARG A 24 64.185 1.069 -4.915 1.00 0.27 N ATOM 381 CZ ARG A 24 63.350 0.045 -4.959 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.133 -0.633 -6.066 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.722 -0.299 -3.870 1.00 0.39 N ATOM 0 H ARG A 24 65.307 5.269 -5.215 1.00 0.26 H new ATOM 0 HA ARG A 24 67.366 4.616 -7.068 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.367 4.107 -7.431 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.685 3.081 -7.961 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.251 3.043 -5.324 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.547 3.427 -5.188 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.342 1.427 -7.026 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.841 0.922 -6.272 1.00 0.24 H new ATOM 0 HE ARG A 24 64.315 1.564 -4.033 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.616 -0.373 -6.926 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.482 -1.418 -6.064 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.879 0.219 -3.005 1.00 0.39 H new ATOM 0 HH22 ARG A 24 62.073 -1.086 -3.882 1.00 0.39 H new ATOM 397 N LYS A 25 65.023 6.603 -8.274 1.00 0.32 N ATOM 398 CA LYS A 25 64.691 7.476 -9.444 1.00 0.37 C ATOM 399 C LYS A 25 65.740 8.578 -9.597 1.00 0.38 C ATOM 400 O LYS A 25 66.268 8.802 -10.670 1.00 0.40 O ATOM 401 CB LYS A 25 63.312 8.077 -9.117 1.00 0.42 C ATOM 402 CG LYS A 25 62.867 9.036 -10.230 1.00 1.08 C ATOM 403 CD LYS A 25 62.727 8.264 -11.539 1.00 1.68 C ATOM 404 CE LYS A 25 62.196 9.195 -12.632 1.00 2.42 C ATOM 405 NZ LYS A 25 63.408 9.668 -13.356 1.00 2.97 N ATOM 0 H LYS A 25 64.362 6.650 -7.498 1.00 0.32 H new ATOM 0 HA LYS A 25 64.678 6.922 -10.382 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.579 7.279 -9.002 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.356 8.609 -8.167 1.00 0.42 H new ATOM 0 HG2 LYS A 25 61.917 9.501 -9.966 1.00 1.08 H new ATOM 0 HG3 LYS A 25 63.594 9.840 -10.345 1.00 1.08 H new ATOM 0 HD2 LYS A 25 63.692 7.853 -11.835 1.00 1.68 H new ATOM 0 HD3 LYS A 25 62.049 7.421 -11.405 1.00 1.68 H new ATOM 0 HE2 LYS A 25 61.516 8.669 -13.302 1.00 2.42 H new ATOM 0 HE3 LYS A 25 61.641 10.030 -12.204 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 63.125 10.312 -14.122 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 64.034 10.170 -12.694 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 63.913 8.852 -13.758 1.00 2.97 H new ATOM 419 N PHE A 26 66.028 9.268 -8.530 1.00 0.38 N ATOM 420 CA PHE A 26 67.019 10.395 -8.587 1.00 0.42 C ATOM 421 C PHE A 26 68.371 9.901 -9.111 1.00 0.42 C ATOM 422 O PHE A 26 69.069 10.609 -9.816 1.00 0.46 O ATOM 423 CB PHE A 26 67.152 10.887 -7.142 1.00 0.43 C ATOM 424 CG PHE A 26 68.055 12.096 -7.097 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.535 13.394 -7.418 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.435 11.946 -6.735 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.394 14.542 -7.377 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.295 13.094 -6.693 1.00 0.64 C ATOM 429 CZ PHE A 26 69.774 14.393 -7.014 1.00 0.67 C ATOM 0 H PHE A 26 65.620 9.103 -7.610 1.00 0.38 H new ATOM 0 HA PHE A 26 66.693 11.187 -9.261 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.170 11.139 -6.742 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.558 10.094 -6.514 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.496 13.507 -7.691 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.827 10.969 -6.494 1.00 0.56 H new ATOM 0 HE1 PHE A 26 68.002 15.519 -7.619 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.334 12.981 -6.420 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.421 15.257 -6.982 1.00 0.67 H new ATOM 439 N TYR A 27 68.762 8.718 -8.723 1.00 0.39 N ATOM 440 CA TYR A 27 70.100 8.183 -9.137 1.00 0.42 C ATOM 441 C TYR A 27 70.018 7.467 -10.498 1.00 0.35 C ATOM 442 O TYR A 27 71.029 7.233 -11.137 1.00 0.37 O ATOM 443 CB TYR A 27 70.465 7.198 -8.025 1.00 0.46 C ATOM 444 CG TYR A 27 71.871 6.669 -8.210 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.147 5.674 -9.209 1.00 0.95 C ATOM 446 CD2 TYR A 27 72.924 7.134 -7.355 1.00 0.85 C ATOM 447 CE1 TYR A 27 73.472 5.146 -9.350 1.00 1.16 C ATOM 448 CE2 TYR A 27 74.251 6.611 -7.503 1.00 1.10 C ATOM 449 CZ TYR A 27 74.524 5.616 -8.499 1.00 1.18 C ATOM 450 OH TYR A 27 75.794 5.103 -8.627 1.00 1.44 O ATOM 0 H TYR A 27 68.213 8.092 -8.134 1.00 0.39 H new ATOM 0 HA TYR A 27 70.842 8.972 -9.262 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.382 7.691 -7.056 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.758 6.369 -8.022 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.355 5.324 -9.854 1.00 0.95 H new ATOM 0 HD2 TYR A 27 72.718 7.878 -6.600 1.00 0.85 H new ATOM 0 HE1 TYR A 27 73.677 4.394 -10.098 1.00 1.16 H new ATOM 0 HE2 TYR A 27 75.046 6.967 -6.864 1.00 1.10 H new ATOM 0 HH TYR A 27 76.361 5.451 -7.907 1.00 1.44 H new ATOM 460 N GLY A 28 68.828 7.155 -10.974 1.00 0.31 N ATOM 461 CA GLY A 28 68.700 6.493 -12.308 1.00 0.29 C ATOM 462 C GLY A 28 69.089 5.014 -12.185 1.00 0.26 C ATOM 463 O GLY A 28 69.820 4.493 -13.007 1.00 0.27 O ATOM 0 H GLY A 28 67.946 7.332 -10.493 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.677 6.582 -12.673 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.342 6.990 -13.035 1.00 0.29 H new ATOM 467 N ILE A 29 68.648 4.352 -11.139 1.00 0.24 N ATOM 468 CA ILE A 29 69.040 2.921 -10.928 1.00 0.23 C ATOM 469 C ILE A 29 68.061 1.985 -11.645 1.00 0.20 C ATOM 470 O ILE A 29 66.880 1.967 -11.353 1.00 0.22 O ATOM 471 CB ILE A 29 68.984 2.690 -9.408 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.948 3.652 -8.711 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.388 1.246 -9.087 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.837 3.516 -7.189 1.00 0.42 C ATOM 0 H ILE A 29 68.034 4.741 -10.423 1.00 0.24 H new ATOM 0 HA ILE A 29 70.032 2.716 -11.330 1.00 0.23 H new ATOM 0 HB ILE A 29 67.968 2.868 -9.055 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.970 3.444 -9.027 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.725 4.677 -9.007 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.347 1.088 -8.009 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.702 0.558 -9.581 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.403 1.065 -9.442 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.530 4.208 -6.710 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.819 3.748 -6.876 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.083 2.495 -6.896 1.00 0.42 H new ATOM 486 N GLU A 30 68.588 1.099 -12.448 1.00 0.17 N ATOM 487 CA GLU A 30 67.750 0.020 -13.046 1.00 0.18 C ATOM 488 C GLU A 30 68.406 -1.331 -12.761 1.00 0.17 C ATOM 489 O GLU A 30 69.598 -1.404 -12.526 1.00 0.18 O ATOM 490 CB GLU A 30 67.731 0.307 -14.549 1.00 0.22 C ATOM 491 CG GLU A 30 66.764 -0.661 -15.244 1.00 1.06 C ATOM 492 CD GLU A 30 66.793 -0.460 -16.770 1.00 1.14 C ATOM 493 OE1 GLU A 30 67.589 0.338 -17.247 1.00 1.37 O ATOM 494 OE2 GLU A 30 66.013 -1.117 -17.441 1.00 1.82 O ATOM 0 H GLU A 30 69.572 1.077 -12.717 1.00 0.17 H new ATOM 0 HA GLU A 30 66.739 -0.008 -12.638 1.00 0.18 H new ATOM 0 HB2 GLU A 30 67.423 1.337 -14.729 1.00 0.22 H new ATOM 0 HB3 GLU A 30 68.733 0.197 -14.964 1.00 0.22 H new ATOM 0 HG2 GLU A 30 67.035 -1.689 -15.003 1.00 1.06 H new ATOM 0 HG3 GLU A 30 65.752 -0.502 -14.871 1.00 1.06 H new ATOM 501 N GLN A 31 67.638 -2.396 -12.725 1.00 0.20 N ATOM 502 CA GLN A 31 68.221 -3.739 -12.386 1.00 0.20 C ATOM 503 C GLN A 31 69.387 -4.076 -13.323 1.00 0.19 C ATOM 504 O GLN A 31 69.330 -3.835 -14.514 1.00 0.20 O ATOM 505 CB GLN A 31 67.086 -4.741 -12.580 1.00 0.25 C ATOM 506 CG GLN A 31 67.517 -6.112 -12.051 1.00 1.08 C ATOM 507 CD GLN A 31 66.374 -7.123 -12.209 1.00 1.10 C ATOM 508 OE1 GLN A 31 65.254 -6.759 -12.514 1.00 0.70 O ATOM 509 NE2 GLN A 31 66.613 -8.390 -12.010 1.00 1.99 N ATOM 0 H GLN A 31 66.636 -2.395 -12.915 1.00 0.20 H new ATOM 0 HA GLN A 31 68.613 -3.757 -11.369 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.193 -4.401 -12.055 1.00 0.25 H new ATOM 0 HB3 GLN A 31 66.827 -4.812 -13.636 1.00 0.25 H new ATOM 0 HG2 GLN A 31 68.397 -6.459 -12.593 1.00 1.08 H new ATOM 0 HG3 GLN A 31 67.800 -6.033 -11.001 1.00 1.08 H new ATOM 0 HE21 GLN A 31 67.551 -8.698 -11.754 1.00 1.99 H new ATOM 0 HE22 GLN A 31 65.862 -9.073 -12.110 1.00 1.99 H new ATOM 518 N GLY A 32 70.429 -4.646 -12.782 1.00 0.18 N ATOM 519 CA GLY A 32 71.608 -5.028 -13.615 1.00 0.19 C ATOM 520 C GLY A 32 72.670 -3.915 -13.606 1.00 0.17 C ATOM 521 O GLY A 32 73.813 -4.158 -13.951 1.00 0.18 O ATOM 0 H GLY A 32 70.516 -4.866 -11.790 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.042 -5.953 -13.236 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.288 -5.222 -14.639 1.00 0.19 H new ATOM 525 N ASP A 33 72.325 -2.711 -13.186 1.00 0.15 N ATOM 526 CA ASP A 33 73.347 -1.615 -13.130 1.00 0.14 C ATOM 527 C ASP A 33 74.261 -1.814 -11.921 1.00 0.13 C ATOM 528 O ASP A 33 73.865 -2.413 -10.940 1.00 0.14 O ATOM 529 CB ASP A 33 72.551 -0.317 -12.985 1.00 0.13 C ATOM 530 CG ASP A 33 71.748 -0.042 -14.261 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.134 -0.531 -15.312 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.761 0.664 -14.161 1.00 1.07 O ATOM 0 H ASP A 33 71.388 -2.446 -12.883 1.00 0.15 H new ATOM 0 HA ASP A 33 73.979 -1.602 -14.018 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.877 -0.389 -12.131 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.229 0.513 -12.787 1.00 0.13 H new ATOM 537 N PHE A 34 75.441 -1.235 -11.944 1.00 0.12 N ATOM 538 CA PHE A 34 76.331 -1.302 -10.750 1.00 0.11 C ATOM 539 C PHE A 34 76.458 0.084 -10.128 1.00 0.10 C ATOM 540 O PHE A 34 76.674 1.058 -10.821 1.00 0.11 O ATOM 541 CB PHE A 34 77.682 -1.777 -11.280 1.00 0.12 C ATOM 542 CG PHE A 34 77.593 -3.234 -11.662 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.163 -3.607 -12.979 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.941 -4.246 -10.706 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.080 -4.994 -13.340 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.858 -5.632 -11.068 1.00 0.20 C ATOM 547 CZ PHE A 34 77.428 -6.007 -12.385 1.00 0.21 C ATOM 0 H PHE A 34 75.821 -0.721 -12.739 1.00 0.12 H new ATOM 0 HA PHE A 34 75.945 -1.971 -9.980 1.00 0.11 H new ATOM 0 HB2 PHE A 34 77.974 -1.181 -12.145 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.452 -1.636 -10.521 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.902 -2.845 -13.698 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.265 -3.965 -9.715 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.755 -5.275 -14.331 1.00 0.20 H new ATOM 0 HE2 PHE A 34 78.119 -6.394 -10.349 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.366 -7.050 -12.657 1.00 0.21 H new ATOM 557 N VAL A 35 76.426 0.160 -8.824 1.00 0.09 N ATOM 558 CA VAL A 35 76.660 1.465 -8.141 1.00 0.09 C ATOM 559 C VAL A 35 77.699 1.275 -7.035 1.00 0.10 C ATOM 560 O VAL A 35 77.865 0.186 -6.519 1.00 0.10 O ATOM 561 CB VAL A 35 75.295 1.889 -7.580 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.299 2.052 -8.733 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.768 0.826 -6.610 1.00 0.15 C ATOM 0 H VAL A 35 76.247 -0.628 -8.201 1.00 0.09 H new ATOM 0 HA VAL A 35 77.049 2.232 -8.810 1.00 0.09 H new ATOM 0 HB VAL A 35 75.410 2.834 -7.049 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.329 2.353 -8.336 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.662 2.815 -9.422 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.196 1.104 -9.262 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.800 1.138 -6.219 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.659 -0.123 -7.135 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.471 0.706 -5.785 1.00 0.15 H new ATOM 573 N GLU A 36 78.398 2.321 -6.673 1.00 0.12 N ATOM 574 CA GLU A 36 79.430 2.206 -5.602 1.00 0.13 C ATOM 575 C GLU A 36 79.000 3.067 -4.432 1.00 0.13 C ATOM 576 O GLU A 36 78.582 4.192 -4.627 1.00 0.13 O ATOM 577 CB GLU A 36 80.722 2.737 -6.226 1.00 0.14 C ATOM 578 CG GLU A 36 81.884 2.535 -5.244 1.00 0.15 C ATOM 579 CD GLU A 36 83.182 3.151 -5.800 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.140 3.764 -6.858 1.00 1.09 O ATOM 581 OE2 GLU A 36 84.203 2.998 -5.150 1.00 1.03 O ATOM 0 H GLU A 36 78.297 3.253 -7.076 1.00 0.12 H new ATOM 0 HA GLU A 36 79.565 1.187 -5.239 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.927 2.217 -7.161 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.615 3.795 -6.467 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.640 2.993 -4.285 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.030 1.471 -5.061 1.00 0.15 H new ATOM 588 N ILE A 37 78.884 2.477 -3.272 1.00 0.12 N ATOM 589 CA ILE A 37 78.217 3.188 -2.149 1.00 0.11 C ATOM 590 C ILE A 37 78.948 2.930 -0.828 1.00 0.11 C ATOM 591 O ILE A 37 79.655 1.951 -0.681 1.00 0.12 O ATOM 592 CB ILE A 37 76.796 2.610 -2.132 1.00 0.12 C ATOM 593 CG1 ILE A 37 75.969 3.298 -1.045 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.840 1.099 -1.865 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.474 3.181 -1.376 1.00 0.14 C ATOM 0 H ILE A 37 79.221 1.539 -3.057 1.00 0.12 H new ATOM 0 HA ILE A 37 78.217 4.271 -2.274 1.00 0.11 H new ATOM 0 HB ILE A 37 76.335 2.785 -3.104 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.173 2.842 -0.076 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.253 4.348 -0.969 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.825 0.701 -1.856 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.415 0.607 -2.650 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.311 0.914 -0.900 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.890 3.673 -0.598 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.275 3.658 -2.336 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.194 2.129 -1.429 1.00 0.14 H new ATOM 607 N LYS A 38 78.745 3.784 0.140 1.00 0.12 N ATOM 608 CA LYS A 38 79.379 3.587 1.476 1.00 0.13 C ATOM 609 C LYS A 38 78.352 3.802 2.590 1.00 0.13 C ATOM 610 O LYS A 38 77.494 4.656 2.490 1.00 0.14 O ATOM 611 CB LYS A 38 80.474 4.647 1.557 1.00 0.13 C ATOM 612 CG LYS A 38 81.340 4.369 2.786 1.00 0.18 C ATOM 613 CD LYS A 38 82.526 5.339 2.825 1.00 0.25 C ATOM 614 CE LYS A 38 82.020 6.778 2.965 1.00 1.03 C ATOM 615 NZ LYS A 38 82.980 7.436 3.894 1.00 1.11 N ATOM 0 H LYS A 38 78.162 4.617 0.061 1.00 0.12 H new ATOM 0 HA LYS A 38 79.774 2.578 1.595 1.00 0.13 H new ATOM 0 HB2 LYS A 38 81.084 4.629 0.654 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.032 5.641 1.624 1.00 0.13 H new ATOM 0 HG2 LYS A 38 80.744 4.475 3.692 1.00 0.18 H new ATOM 0 HG3 LYS A 38 81.702 3.341 2.761 1.00 0.18 H new ATOM 0 HD2 LYS A 38 83.181 5.092 3.660 1.00 0.25 H new ATOM 0 HD3 LYS A 38 83.118 5.240 1.915 1.00 0.25 H new ATOM 0 HE2 LYS A 38 81.996 7.283 2.000 1.00 1.03 H new ATOM 0 HE3 LYS A 38 81.006 6.803 3.363 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 82.699 8.427 4.039 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 82.977 6.938 4.807 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 83.936 7.404 3.486 1.00 1.11 H new ATOM 629 N ILE A 39 78.470 3.069 3.671 1.00 0.14 N ATOM 630 CA ILE A 39 77.539 3.268 4.829 1.00 0.14 C ATOM 631 C ILE A 39 78.306 3.780 6.045 1.00 0.13 C ATOM 632 O ILE A 39 79.466 3.464 6.233 1.00 0.13 O ATOM 633 CB ILE A 39 76.936 1.891 5.136 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.056 0.869 5.383 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.064 1.434 3.968 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.477 -0.376 6.057 1.00 0.20 C ATOM 0 H ILE A 39 79.171 2.340 3.802 1.00 0.14 H new ATOM 0 HA ILE A 39 76.768 4.001 4.592 1.00 0.14 H new ATOM 0 HB ILE A 39 76.321 1.966 6.033 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.528 0.597 4.439 1.00 0.16 H new ATOM 0 HG13 ILE A 39 78.830 1.308 6.012 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.639 0.456 4.192 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.259 2.152 3.812 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.671 1.367 3.065 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.274 -1.099 6.231 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.025 -0.098 7.009 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.719 -0.820 5.412 1.00 0.20 H new ATOM 648 N VAL A 40 77.648 4.539 6.884 1.00 0.13 N ATOM 649 CA VAL A 40 78.309 5.051 8.120 1.00 0.12 C ATOM 650 C VAL A 40 77.319 5.017 9.291 1.00 0.16 C ATOM 651 O VAL A 40 76.273 5.638 9.251 1.00 0.20 O ATOM 652 CB VAL A 40 78.712 6.494 7.790 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.417 7.123 8.996 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.668 6.504 6.590 1.00 0.16 C ATOM 0 H VAL A 40 76.677 4.827 6.764 1.00 0.13 H new ATOM 0 HA VAL A 40 79.171 4.451 8.412 1.00 0.12 H new ATOM 0 HB VAL A 40 77.816 7.066 7.550 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.702 8.148 8.757 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.742 7.124 9.852 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.309 6.546 9.238 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.952 7.531 6.359 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.561 5.927 6.831 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.172 6.062 5.726 1.00 0.16 H new ATOM 664 N LYS A 41 77.690 4.359 10.357 1.00 0.17 N ATOM 665 CA LYS A 41 76.840 4.342 11.583 1.00 0.22 C ATOM 666 C LYS A 41 77.706 4.647 12.804 1.00 0.21 C ATOM 667 O LYS A 41 78.883 4.344 12.817 1.00 0.22 O ATOM 668 CB LYS A 41 76.288 2.922 11.675 1.00 0.28 C ATOM 669 CG LYS A 41 75.254 2.858 12.802 1.00 0.54 C ATOM 670 CD LYS A 41 74.877 1.400 13.075 1.00 1.11 C ATOM 671 CE LYS A 41 73.753 1.339 14.116 1.00 1.50 C ATOM 672 NZ LYS A 41 74.300 2.006 15.333 1.00 1.98 N ATOM 0 H LYS A 41 78.557 3.826 10.431 1.00 0.17 H new ATOM 0 HA LYS A 41 76.042 5.083 11.544 1.00 0.22 H new ATOM 0 HB2 LYS A 41 75.831 2.634 10.728 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.096 2.216 11.866 1.00 0.28 H new ATOM 0 HG2 LYS A 41 75.658 3.314 13.706 1.00 0.54 H new ATOM 0 HG3 LYS A 41 74.366 3.428 12.527 1.00 0.54 H new ATOM 0 HD2 LYS A 41 74.556 0.919 12.151 1.00 1.11 H new ATOM 0 HD3 LYS A 41 75.748 0.851 13.434 1.00 1.11 H new ATOM 0 HE2 LYS A 41 72.858 1.848 13.758 1.00 1.50 H new ATOM 0 HE3 LYS A 41 73.470 0.308 14.327 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 73.794 1.663 16.174 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 75.312 1.786 15.424 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 74.176 3.035 15.250 1.00 1.98 H new ATOM 686 N TYR A 42 77.141 5.254 13.816 1.00 0.20 N ATOM 687 CA TYR A 42 77.948 5.593 15.031 1.00 0.20 C ATOM 688 C TYR A 42 77.699 4.566 16.140 1.00 0.27 C ATOM 689 O TYR A 42 76.567 4.293 16.498 1.00 0.33 O ATOM 690 CB TYR A 42 77.465 6.979 15.458 1.00 0.22 C ATOM 691 CG TYR A 42 78.588 7.702 16.161 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.855 7.862 15.507 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.390 8.229 17.481 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.925 8.548 16.171 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.460 8.916 18.146 1.00 0.25 C ATOM 696 CZ TYR A 42 80.728 9.076 17.491 1.00 0.28 C ATOM 697 OH TYR A 42 81.757 9.736 18.132 1.00 0.33 O ATOM 0 H TYR A 42 76.160 5.529 13.856 1.00 0.20 H new ATOM 0 HA TYR A 42 79.019 5.583 14.829 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.139 7.548 14.587 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.604 6.889 16.120 1.00 0.22 H new ATOM 0 HD1 TYR A 42 80.003 7.465 14.513 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.436 8.109 17.974 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.879 8.667 15.678 1.00 0.28 H new ATOM 0 HE2 TYR A 42 79.312 9.313 19.139 1.00 0.25 H new ATOM 0 HH TYR A 42 81.456 10.030 19.017 1.00 0.33 H new ATOM 759 N PRO A 47 83.007 6.112 15.315 1.00 0.25 N ATOM 760 CA PRO A 47 82.185 5.854 14.108 1.00 0.21 C ATOM 761 C PRO A 47 82.645 4.569 13.406 1.00 0.27 C ATOM 762 O PRO A 47 83.824 4.369 13.178 1.00 0.34 O ATOM 763 CB PRO A 47 82.435 7.073 13.224 1.00 0.24 C ATOM 764 CG PRO A 47 83.760 7.615 13.658 1.00 0.33 C ATOM 765 CD PRO A 47 83.976 7.202 15.091 1.00 0.31 C ATOM 0 HA PRO A 47 81.129 5.714 14.339 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.450 6.797 12.170 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.647 7.816 13.348 1.00 0.24 H new ATOM 0 HG2 PRO A 47 84.558 7.228 13.024 1.00 0.33 H new ATOM 0 HG3 PRO A 47 83.778 8.701 13.566 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.999 6.863 15.256 1.00 0.31 H new ATOM 0 HD3 PRO A 47 83.802 8.034 15.774 1.00 0.31 H new ATOM 773 N LYS A 48 81.712 3.784 12.926 1.00 0.26 N ATOM 774 CA LYS A 48 82.068 2.606 12.074 1.00 0.35 C ATOM 775 C LYS A 48 81.564 2.834 10.647 1.00 0.28 C ATOM 776 O LYS A 48 80.468 3.318 10.446 1.00 0.24 O ATOM 777 CB LYS A 48 81.346 1.417 12.707 1.00 0.45 C ATOM 778 CG LYS A 48 81.843 1.211 14.138 1.00 0.60 C ATOM 779 CD LYS A 48 83.292 0.726 14.099 1.00 0.47 C ATOM 780 CE LYS A 48 83.737 0.329 15.509 1.00 0.48 C ATOM 781 NZ LYS A 48 84.759 -0.734 15.304 1.00 1.10 N ATOM 0 H LYS A 48 80.713 3.909 13.089 1.00 0.26 H new ATOM 0 HA LYS A 48 83.144 2.442 12.021 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.270 1.592 12.708 1.00 0.45 H new ATOM 0 HB3 LYS A 48 81.523 0.517 12.118 1.00 0.45 H new ATOM 0 HG2 LYS A 48 81.774 2.143 14.698 1.00 0.60 H new ATOM 0 HG3 LYS A 48 81.216 0.483 14.653 1.00 0.60 H new ATOM 0 HD2 LYS A 48 83.383 -0.125 13.424 1.00 0.47 H new ATOM 0 HD3 LYS A 48 83.939 1.512 13.710 1.00 0.47 H new ATOM 0 HE2 LYS A 48 84.155 1.181 16.046 1.00 0.48 H new ATOM 0 HE3 LYS A 48 82.898 -0.039 16.099 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 85.113 -1.058 16.227 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 84.330 -1.534 14.797 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 85.549 -0.353 14.745 1.00 1.10 H new ATOM 795 N GLU A 49 82.369 2.522 9.662 1.00 0.26 N ATOM 796 CA GLU A 49 81.953 2.759 8.244 1.00 0.20 C ATOM 797 C GLU A 49 82.361 1.584 7.349 1.00 0.19 C ATOM 798 O GLU A 49 83.165 0.752 7.729 1.00 0.21 O ATOM 799 CB GLU A 49 82.676 4.047 7.824 1.00 0.25 C ATOM 800 CG GLU A 49 84.194 3.863 7.944 1.00 0.80 C ATOM 801 CD GLU A 49 84.910 5.190 7.654 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.347 6.011 6.945 1.00 0.96 O ATOM 803 OE2 GLU A 49 86.013 5.361 8.148 1.00 1.42 O ATOM 0 H GLU A 49 83.296 2.113 9.778 1.00 0.26 H new ATOM 0 HA GLU A 49 80.871 2.851 8.148 1.00 0.20 H new ATOM 0 HB2 GLU A 49 82.413 4.303 6.798 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.352 4.877 8.452 1.00 0.25 H new ATOM 0 HG2 GLU A 49 84.448 3.515 8.945 1.00 0.80 H new ATOM 0 HG3 GLU A 49 84.532 3.098 7.245 1.00 0.80 H new ATOM 810 N GLY A 50 81.848 1.549 6.144 1.00 0.16 N ATOM 811 CA GLY A 50 82.232 0.477 5.183 1.00 0.16 C ATOM 812 C GLY A 50 81.916 0.934 3.760 1.00 0.15 C ATOM 813 O GLY A 50 80.844 1.442 3.495 1.00 0.17 O ATOM 0 H GLY A 50 81.174 2.225 5.785 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.294 0.253 5.277 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.691 -0.441 5.410 1.00 0.16 H new ATOM 817 N THR A 51 82.821 0.715 2.836 1.00 0.14 N ATOM 818 CA THR A 51 82.556 1.094 1.413 1.00 0.14 C ATOM 819 C THR A 51 82.694 -0.136 0.513 1.00 0.13 C ATOM 820 O THR A 51 83.628 -0.907 0.651 1.00 0.15 O ATOM 821 CB THR A 51 83.634 2.126 1.059 1.00 0.16 C ATOM 822 OG1 THR A 51 83.832 3.004 2.158 1.00 0.18 O ATOM 823 CG2 THR A 51 83.193 2.939 -0.167 1.00 0.21 C ATOM 0 H THR A 51 83.732 0.290 3.007 1.00 0.14 H new ATOM 0 HA THR A 51 81.551 1.492 1.276 1.00 0.14 H new ATOM 0 HB THR A 51 84.565 1.606 0.833 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.625 3.557 1.997 1.00 0.18 H new ATOM 0 HG21 THR A 51 83.962 3.671 -0.414 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.044 2.269 -1.014 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.259 3.455 0.056 1.00 0.21 H new ATOM 831 N PHE A 52 81.794 -0.305 -0.426 1.00 0.12 N ATOM 832 CA PHE A 52 81.899 -1.467 -1.363 1.00 0.13 C ATOM 833 C PHE A 52 81.167 -1.174 -2.689 1.00 0.11 C ATOM 834 O PHE A 52 80.412 -0.224 -2.792 1.00 0.10 O ATOM 835 CB PHE A 52 81.277 -2.658 -0.596 1.00 0.14 C ATOM 836 CG PHE A 52 79.763 -2.552 -0.524 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.141 -1.556 0.301 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.955 -3.447 -1.300 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.708 -1.461 0.351 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.527 -3.351 -1.253 1.00 0.14 C ATOM 841 CZ PHE A 52 76.903 -2.358 -0.429 1.00 0.15 C ATOM 0 H PHE A 52 80.995 0.309 -0.583 1.00 0.12 H new ATOM 0 HA PHE A 52 82.929 -1.681 -1.648 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.553 -3.591 -1.087 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.687 -2.695 0.413 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.749 -0.879 0.883 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.424 -4.195 -1.921 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.237 -0.716 0.975 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.921 -4.026 -1.838 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.826 -2.284 -0.395 1.00 0.15 H new ATOM 851 N THR A 53 81.293 -2.061 -3.645 1.00 0.12 N ATOM 852 CA THR A 53 80.505 -1.934 -4.908 1.00 0.11 C ATOM 853 C THR A 53 79.393 -2.984 -4.926 1.00 0.11 C ATOM 854 O THR A 53 79.570 -4.087 -4.442 1.00 0.12 O ATOM 855 CB THR A 53 81.506 -2.194 -6.035 1.00 0.11 C ATOM 856 OG1 THR A 53 82.590 -1.281 -5.923 1.00 0.13 O ATOM 857 CG2 THR A 53 80.816 -2.009 -7.388 1.00 0.11 C ATOM 0 H THR A 53 81.911 -2.871 -3.604 1.00 0.12 H new ATOM 0 HA THR A 53 80.033 -0.957 -5.008 1.00 0.11 H new ATOM 0 HB THR A 53 81.881 -3.215 -5.960 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.233 -1.447 -6.643 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.531 -2.195 -8.189 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.986 -2.711 -7.472 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.439 -0.990 -7.468 1.00 0.11 H new ATOM 865 N ALA A 54 78.227 -2.618 -5.400 1.00 0.11 N ATOM 866 CA ALA A 54 77.068 -3.559 -5.359 1.00 0.13 C ATOM 867 C ALA A 54 76.228 -3.432 -6.630 1.00 0.13 C ATOM 868 O ALA A 54 76.038 -2.348 -7.148 1.00 0.11 O ATOM 869 CB ALA A 54 76.255 -3.129 -4.133 1.00 0.14 C ATOM 0 H ALA A 54 78.029 -1.707 -5.814 1.00 0.11 H new ATOM 0 HA ALA A 54 77.386 -4.600 -5.297 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.382 -3.773 -4.031 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.873 -3.212 -3.239 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.931 -2.096 -4.256 1.00 0.14 H new ATOM 875 N ARG A 55 75.660 -4.523 -7.083 1.00 0.15 N ATOM 876 CA ARG A 55 74.748 -4.464 -8.264 1.00 0.15 C ATOM 877 C ARG A 55 73.302 -4.316 -7.791 1.00 0.15 C ATOM 878 O ARG A 55 72.917 -4.855 -6.769 1.00 0.16 O ATOM 879 CB ARG A 55 74.940 -5.793 -8.994 1.00 0.19 C ATOM 880 CG ARG A 55 74.339 -5.688 -10.397 1.00 0.27 C ATOM 881 CD ARG A 55 74.580 -6.988 -11.175 1.00 0.45 C ATOM 882 NE ARG A 55 73.652 -7.991 -10.562 1.00 0.90 N ATOM 883 CZ ARG A 55 74.018 -8.777 -9.563 1.00 1.48 C ATOM 884 NH1 ARG A 55 75.213 -8.717 -9.020 1.00 1.67 N ATOM 885 NH2 ARG A 55 73.157 -9.638 -9.094 1.00 2.21 N ATOM 0 H ARG A 55 75.790 -5.453 -6.684 1.00 0.15 H new ATOM 0 HA ARG A 55 74.967 -3.617 -8.914 1.00 0.15 H new ATOM 0 HB2 ARG A 55 76.000 -6.037 -9.057 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.460 -6.599 -8.439 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.269 -5.490 -10.328 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.785 -4.849 -10.930 1.00 0.27 H new ATOM 0 HD2 ARG A 55 74.371 -6.856 -12.237 1.00 0.45 H new ATOM 0 HD3 ARG A 55 75.618 -7.310 -11.092 1.00 0.45 H new ATOM 0 HE ARG A 55 72.703 -8.071 -10.928 1.00 0.90 H new ATOM 0 HH11 ARG A 55 75.898 -8.046 -9.368 1.00 1.67 H new ATOM 0 HH12 ARG A 55 75.456 -9.341 -8.251 1.00 1.67 H new ATOM 0 HH21 ARG A 55 72.222 -9.696 -9.497 1.00 2.21 H new ATOM 0 HH22 ARG A 55 73.419 -10.253 -8.324 1.00 2.21 H new ATOM 899 N VAL A 56 72.505 -3.592 -8.531 1.00 0.14 N ATOM 900 CA VAL A 56 71.075 -3.399 -8.141 1.00 0.14 C ATOM 901 C VAL A 56 70.262 -4.637 -8.519 1.00 0.15 C ATOM 902 O VAL A 56 70.247 -5.058 -9.661 1.00 0.17 O ATOM 903 CB VAL A 56 70.613 -2.167 -8.930 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.116 -1.898 -8.688 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.430 -0.955 -8.473 1.00 0.17 C ATOM 0 H VAL A 56 72.783 -3.123 -9.393 1.00 0.14 H new ATOM 0 HA VAL A 56 70.945 -3.256 -7.068 1.00 0.14 H new ATOM 0 HB VAL A 56 70.764 -2.346 -9.995 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.808 -1.020 -9.256 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.534 -2.762 -9.010 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.945 -1.721 -7.626 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.111 -0.072 -9.027 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.273 -0.791 -7.407 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.488 -1.138 -8.660 1.00 0.17 H new ATOM 915 N GLY A 57 69.556 -5.186 -7.568 1.00 0.16 N ATOM 916 CA GLY A 57 68.692 -6.367 -7.848 1.00 0.19 C ATOM 917 C GLY A 57 67.230 -5.929 -7.945 1.00 0.18 C ATOM 918 O GLY A 57 66.917 -4.748 -7.959 1.00 0.16 O ATOM 0 H GLY A 57 69.541 -4.863 -6.601 1.00 0.16 H new ATOM 0 HA2 GLY A 57 69.001 -6.842 -8.779 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.807 -7.109 -7.058 1.00 0.19 H new ATOM 922 N GLU A 58 66.332 -6.878 -7.999 1.00 0.21 N ATOM 923 CA GLU A 58 64.877 -6.538 -8.088 1.00 0.22 C ATOM 924 C GLU A 58 64.447 -5.755 -6.843 1.00 0.22 C ATOM 925 O GLU A 58 65.086 -5.810 -5.809 1.00 0.24 O ATOM 926 CB GLU A 58 64.147 -7.881 -8.161 1.00 0.27 C ATOM 927 CG GLU A 58 62.692 -7.651 -8.594 1.00 0.81 C ATOM 928 CD GLU A 58 61.893 -8.967 -8.550 1.00 0.80 C ATOM 929 OE1 GLU A 58 62.448 -9.984 -8.154 1.00 1.39 O ATOM 930 OE2 GLU A 58 60.730 -8.933 -8.915 1.00 1.28 O ATOM 0 H GLU A 58 66.542 -7.876 -7.985 1.00 0.21 H new ATOM 0 HA GLU A 58 64.652 -5.915 -8.953 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.648 -8.541 -8.869 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.175 -8.375 -7.190 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.225 -6.915 -7.939 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.669 -7.240 -9.603 1.00 0.81 H new ATOM 937 N GLN A 59 63.395 -4.984 -6.957 1.00 0.25 N ATOM 938 CA GLN A 59 62.918 -4.135 -5.813 1.00 0.30 C ATOM 939 C GLN A 59 64.025 -3.214 -5.274 1.00 0.23 C ATOM 940 O GLN A 59 63.863 -2.625 -4.220 1.00 0.23 O ATOM 941 CB GLN A 59 62.467 -5.115 -4.719 1.00 0.37 C ATOM 942 CG GLN A 59 61.281 -5.946 -5.219 1.00 0.46 C ATOM 943 CD GLN A 59 60.082 -5.031 -5.483 1.00 0.56 C ATOM 944 OE1 GLN A 59 59.728 -4.219 -4.651 1.00 0.82 O ATOM 945 NE2 GLN A 59 59.439 -5.128 -6.614 1.00 0.81 N ATOM 0 H GLN A 59 62.835 -4.903 -7.806 1.00 0.25 H new ATOM 0 HA GLN A 59 62.111 -3.480 -6.140 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.292 -5.772 -4.445 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.184 -4.566 -3.821 1.00 0.37 H new ATOM 0 HG2 GLN A 59 61.555 -6.475 -6.132 1.00 0.46 H new ATOM 0 HG3 GLN A 59 61.017 -6.702 -4.480 1.00 0.46 H new ATOM 0 HE21 GLN A 59 59.736 -5.809 -7.313 1.00 0.81 H new ATOM 0 HE22 GLN A 59 58.639 -4.522 -6.800 1.00 0.81 H new ATOM 954 N GLY A 60 65.072 -2.966 -6.039 1.00 0.19 N ATOM 955 CA GLY A 60 66.081 -1.943 -5.614 1.00 0.16 C ATOM 956 C GLY A 60 66.926 -2.467 -4.446 1.00 0.12 C ATOM 957 O GLY A 60 67.474 -1.689 -3.682 1.00 0.12 O ATOM 0 H GLY A 60 65.266 -3.425 -6.929 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.729 -1.693 -6.454 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.573 -1.025 -5.319 1.00 0.16 H new ATOM 961 N SER A 61 66.977 -3.766 -4.256 1.00 0.14 N ATOM 962 CA SER A 61 67.731 -4.324 -3.090 1.00 0.16 C ATOM 963 C SER A 61 69.235 -4.330 -3.381 1.00 0.15 C ATOM 964 O SER A 61 69.659 -4.597 -4.489 1.00 0.18 O ATOM 965 CB SER A 61 67.214 -5.753 -2.919 1.00 0.21 C ATOM 966 OG SER A 61 67.750 -6.573 -3.949 1.00 1.30 O ATOM 0 H SER A 61 66.531 -4.460 -4.856 1.00 0.14 H new ATOM 0 HA SER A 61 67.584 -3.729 -2.188 1.00 0.16 H new ATOM 0 HB2 SER A 61 67.502 -6.142 -1.942 1.00 0.21 H new ATOM 0 HB3 SER A 61 66.125 -5.765 -2.959 1.00 0.21 H new ATOM 0 HG SER A 61 67.422 -7.490 -3.841 1.00 1.30 H new ATOM 972 N VAL A 62 70.037 -4.132 -2.366 1.00 0.14 N ATOM 973 CA VAL A 62 71.520 -4.232 -2.530 1.00 0.15 C ATOM 974 C VAL A 62 72.123 -4.957 -1.319 1.00 0.14 C ATOM 975 O VAL A 62 71.578 -4.903 -0.232 1.00 0.14 O ATOM 976 CB VAL A 62 72.012 -2.781 -2.622 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.645 -2.014 -1.349 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.532 -2.768 -2.798 1.00 0.21 C ATOM 0 H VAL A 62 69.725 -3.903 -1.422 1.00 0.14 H new ATOM 0 HA VAL A 62 71.813 -4.800 -3.413 1.00 0.15 H new ATOM 0 HB VAL A 62 71.535 -2.301 -3.477 1.00 0.17 H new ATOM 0 HG11 VAL A 62 72.000 -0.987 -1.428 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.562 -2.015 -1.223 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.111 -2.494 -0.488 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.882 -1.738 -2.863 1.00 0.21 H new ATOM 0 HG22 VAL A 62 74.001 -3.257 -1.944 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.797 -3.300 -3.712 1.00 0.21 H new ATOM 988 N ILE A 63 73.176 -5.715 -1.522 1.00 0.16 N ATOM 989 CA ILE A 63 73.739 -6.540 -0.404 1.00 0.17 C ATOM 990 C ILE A 63 75.082 -5.972 0.065 1.00 0.16 C ATOM 991 O ILE A 63 76.053 -5.977 -0.671 1.00 0.19 O ATOM 992 CB ILE A 63 73.942 -7.947 -0.990 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.632 -8.486 -1.597 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.415 -8.895 0.115 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.519 -8.529 -0.538 1.00 0.34 C ATOM 0 H ILE A 63 73.669 -5.798 -2.411 1.00 0.16 H new ATOM 0 HA ILE A 63 73.073 -6.546 0.459 1.00 0.17 H new ATOM 0 HB ILE A 63 74.691 -7.887 -1.779 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.324 -7.854 -2.430 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.796 -9.485 -2.000 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.559 -9.893 -0.299 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.357 -8.533 0.526 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.666 -8.935 0.906 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.603 -8.913 -0.988 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.821 -9.181 0.281 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.342 -7.524 -0.155 1.00 0.34 H new ATOM 1007 N ILE A 64 75.183 -5.632 1.329 1.00 0.15 N ATOM 1008 CA ILE A 64 76.508 -5.237 1.906 1.00 0.16 C ATOM 1009 C ILE A 64 77.339 -6.502 2.199 1.00 0.18 C ATOM 1010 O ILE A 64 76.790 -7.500 2.611 1.00 0.20 O ATOM 1011 CB ILE A 64 76.176 -4.491 3.205 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.321 -3.260 2.885 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.469 -4.040 3.889 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.673 -2.742 4.171 1.00 0.32 C ATOM 0 H ILE A 64 74.404 -5.611 1.987 1.00 0.15 H new ATOM 0 HA ILE A 64 77.092 -4.615 1.228 1.00 0.16 H new ATOM 0 HB ILE A 64 75.627 -5.158 3.869 1.00 0.19 H new ATOM 0 HG12 ILE A 64 75.938 -2.481 2.437 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.553 -3.517 2.156 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.228 -3.511 4.811 1.00 0.34 H new ATOM 0 HG22 ILE A 64 78.081 -4.912 4.121 1.00 0.34 H new ATOM 0 HG23 ILE A 64 78.020 -3.376 3.223 1.00 0.34 H new ATOM 0 HD11 ILE A 64 74.065 -1.866 3.945 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.043 -3.521 4.600 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.450 -2.469 4.885 1.00 0.32 H new ATOM 1026 N PRO A 65 78.635 -6.440 1.970 1.00 0.19 N ATOM 1027 CA PRO A 65 79.502 -7.635 2.206 1.00 0.23 C ATOM 1028 C PRO A 65 79.526 -8.002 3.695 1.00 0.26 C ATOM 1029 O PRO A 65 79.675 -7.153 4.554 1.00 0.23 O ATOM 1030 CB PRO A 65 80.875 -7.162 1.730 1.00 0.26 C ATOM 1031 CG PRO A 65 80.817 -5.686 1.910 1.00 0.24 C ATOM 1032 CD PRO A 65 79.432 -5.296 1.489 1.00 0.21 C ATOM 0 HA PRO A 65 79.158 -8.531 1.689 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.678 -7.606 2.318 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.054 -7.433 0.689 1.00 0.26 H new ATOM 0 HG2 PRO A 65 81.007 -5.407 2.946 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.570 -5.185 1.302 1.00 0.24 H new ATOM 0 HD2 PRO A 65 79.116 -4.358 1.944 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.354 -5.169 0.409 1.00 0.21 H new ATOM 1040 N LYS A 66 79.391 -9.270 4.001 1.00 0.41 N ATOM 1041 CA LYS A 66 79.409 -9.724 5.434 1.00 0.51 C ATOM 1042 C LYS A 66 80.686 -9.251 6.138 1.00 0.44 C ATOM 1043 O LYS A 66 80.683 -8.958 7.319 1.00 0.42 O ATOM 1044 CB LYS A 66 79.369 -11.252 5.380 1.00 0.69 C ATOM 1045 CG LYS A 66 79.242 -11.811 6.798 1.00 0.96 C ATOM 1046 CD LYS A 66 79.261 -13.340 6.748 1.00 1.31 C ATOM 1047 CE LYS A 66 78.968 -13.900 8.143 1.00 1.89 C ATOM 1048 NZ LYS A 66 77.482 -13.957 8.229 1.00 2.62 N ATOM 0 H LYS A 66 79.268 -10.017 3.317 1.00 0.41 H new ATOM 0 HA LYS A 66 78.569 -9.313 5.994 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.528 -11.583 4.771 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.274 -11.633 4.907 1.00 0.69 H new ATOM 0 HG2 LYS A 66 80.061 -11.447 7.418 1.00 0.96 H new ATOM 0 HG3 LYS A 66 78.316 -11.463 7.256 1.00 0.96 H new ATOM 0 HD2 LYS A 66 78.518 -13.700 6.036 1.00 1.31 H new ATOM 0 HD3 LYS A 66 80.232 -13.691 6.400 1.00 1.31 H new ATOM 0 HE2 LYS A 66 79.409 -14.888 8.273 1.00 1.89 H new ATOM 0 HE3 LYS A 66 79.384 -13.260 8.921 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 77.188 -13.861 9.222 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 77.072 -13.182 7.670 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 77.147 -14.868 7.855 1.00 2.62 H new ATOM 1062 N ALA A 67 81.778 -9.196 5.417 1.00 0.43 N ATOM 1063 CA ALA A 67 83.077 -8.767 6.034 1.00 0.40 C ATOM 1064 C ALA A 67 82.947 -7.360 6.622 1.00 0.30 C ATOM 1065 O ALA A 67 83.466 -7.069 7.688 1.00 0.28 O ATOM 1066 CB ALA A 67 84.094 -8.774 4.889 1.00 0.45 C ATOM 0 H ALA A 67 81.829 -9.430 4.425 1.00 0.43 H new ATOM 0 HA ALA A 67 83.378 -9.427 6.847 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.070 -8.470 5.267 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.164 -9.778 4.471 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.773 -8.079 4.113 1.00 0.45 H new ATOM 1072 N LEU A 68 82.220 -6.499 5.954 1.00 0.27 N ATOM 1073 CA LEU A 68 82.013 -5.117 6.480 1.00 0.23 C ATOM 1074 C LEU A 68 80.981 -5.123 7.609 1.00 0.22 C ATOM 1075 O LEU A 68 81.087 -4.352 8.544 1.00 0.22 O ATOM 1076 CB LEU A 68 81.523 -4.280 5.291 1.00 0.28 C ATOM 1077 CG LEU A 68 82.657 -4.090 4.270 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.149 -3.247 3.098 1.00 1.24 C ATOM 1079 CD2 LEU A 68 83.840 -3.363 4.925 1.00 1.82 C ATOM 0 H LEU A 68 81.760 -6.696 5.065 1.00 0.27 H new ATOM 0 HA LEU A 68 82.931 -4.705 6.898 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.675 -4.773 4.815 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.173 -3.309 5.641 1.00 0.28 H new ATOM 0 HG LEU A 68 82.982 -5.069 3.917 1.00 0.99 H new ATOM 0 HD11 LEU A 68 82.951 -3.111 2.373 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.311 -3.755 2.621 1.00 1.24 H new ATOM 0 HD13 LEU A 68 81.822 -2.274 3.464 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.638 -3.233 4.193 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.514 -2.386 5.283 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.210 -3.952 5.764 1.00 1.82 H new ATOM 1091 N ARG A 69 79.999 -6.001 7.550 1.00 0.25 N ATOM 1092 CA ARG A 69 78.980 -6.061 8.653 1.00 0.28 C ATOM 1093 C ARG A 69 79.675 -6.319 9.993 1.00 0.25 C ATOM 1094 O ARG A 69 79.339 -5.730 11.004 1.00 0.26 O ATOM 1095 CB ARG A 69 78.084 -7.267 8.349 1.00 0.35 C ATOM 1096 CG ARG A 69 77.428 -7.163 6.970 1.00 0.46 C ATOM 1097 CD ARG A 69 76.381 -8.278 6.858 1.00 0.56 C ATOM 1098 NE ARG A 69 76.315 -8.640 5.406 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.887 -9.829 5.006 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.472 -10.746 5.856 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.866 -10.097 3.731 1.00 2.30 N ATOM 0 H ARG A 69 79.861 -6.671 6.794 1.00 0.25 H new ATOM 0 HA ARG A 69 78.421 -5.127 8.711 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.676 -8.180 8.400 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.311 -7.345 9.113 1.00 0.35 H new ATOM 0 HG2 ARG A 69 76.960 -6.187 6.843 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.176 -7.262 6.184 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.663 -9.140 7.462 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.410 -7.939 7.220 1.00 0.56 H new ATOM 0 HE ARG A 69 76.606 -7.955 4.708 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.473 -10.551 6.857 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.149 -11.651 5.513 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.176 -9.397 3.057 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.540 -11.007 3.406 1.00 2.30 H new ATOM 1115 N ASP A 70 80.584 -7.262 10.006 1.00 0.25 N ATOM 1116 CA ASP A 70 81.251 -7.656 11.284 1.00 0.25 C ATOM 1117 C ASP A 70 82.187 -6.548 11.762 1.00 0.22 C ATOM 1118 O ASP A 70 82.175 -6.177 12.921 1.00 0.22 O ATOM 1119 CB ASP A 70 82.049 -8.924 10.956 1.00 0.27 C ATOM 1120 CG ASP A 70 81.093 -10.050 10.547 1.00 0.91 C ATOM 1121 OD1 ASP A 70 79.966 -10.053 11.017 1.00 1.68 O ATOM 1122 OD2 ASP A 70 81.506 -10.893 9.766 1.00 1.56 O ATOM 0 H ASP A 70 80.894 -7.778 9.182 1.00 0.25 H new ATOM 0 HA ASP A 70 80.527 -7.827 12.081 1.00 0.25 H new ATOM 0 HB2 ASP A 70 82.754 -8.722 10.149 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.635 -9.230 11.823 1.00 0.27 H new ATOM 1127 N VAL A 71 83.003 -6.025 10.880 1.00 0.21 N ATOM 1128 CA VAL A 71 83.975 -4.957 11.290 1.00 0.21 C ATOM 1129 C VAL A 71 83.216 -3.739 11.831 1.00 0.21 C ATOM 1130 O VAL A 71 83.671 -3.069 12.740 1.00 0.22 O ATOM 1131 CB VAL A 71 84.741 -4.604 10.002 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.706 -3.442 10.257 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.537 -5.826 9.537 1.00 0.28 C ATOM 0 H VAL A 71 83.040 -6.289 9.895 1.00 0.21 H new ATOM 0 HA VAL A 71 84.649 -5.283 12.082 1.00 0.21 H new ATOM 0 HB VAL A 71 84.025 -4.309 9.235 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.240 -3.204 9.337 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.144 -2.568 10.587 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.421 -3.726 11.029 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.081 -5.580 8.625 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.244 -6.117 10.314 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.854 -6.652 9.340 1.00 0.28 H new ATOM 1143 N ILE A 72 82.105 -3.417 11.230 1.00 0.21 N ATOM 1144 CA ILE A 72 81.341 -2.200 11.641 1.00 0.22 C ATOM 1145 C ILE A 72 80.454 -2.495 12.865 1.00 0.22 C ATOM 1146 O ILE A 72 80.063 -1.587 13.576 1.00 0.23 O ATOM 1147 CB ILE A 72 80.489 -1.829 10.417 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.408 -1.555 9.219 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.672 -0.565 10.713 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.563 -1.340 7.962 1.00 0.28 C ATOM 0 H ILE A 72 81.688 -3.947 10.465 1.00 0.21 H new ATOM 0 HA ILE A 72 82.001 -1.385 11.936 1.00 0.22 H new ATOM 0 HB ILE A 72 79.815 -2.655 10.190 1.00 0.24 H new ATOM 0 HG12 ILE A 72 82.021 -0.675 9.412 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.090 -2.392 9.072 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.071 -0.308 9.841 1.00 0.27 H new ATOM 0 HG22 ILE A 72 79.017 -0.746 11.565 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.347 0.259 10.944 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.218 -1.146 7.112 1.00 0.28 H new ATOM 0 HD12 ILE A 72 79.969 -2.233 7.766 1.00 0.28 H new ATOM 0 HD13 ILE A 72 79.899 -0.488 8.111 1.00 0.28 H new ATOM 1162 N GLY A 73 80.185 -3.753 13.156 1.00 0.21 N ATOM 1163 CA GLY A 73 79.384 -4.088 14.376 1.00 0.21 C ATOM 1164 C GLY A 73 77.902 -3.794 14.118 1.00 0.20 C ATOM 1165 O GLY A 73 77.208 -3.289 14.981 1.00 0.22 O ATOM 0 H GLY A 73 80.486 -4.555 12.602 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.517 -5.139 14.633 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.738 -3.505 15.226 1.00 0.21 H new ATOM 1169 N ILE A 74 77.444 -4.012 12.909 1.00 0.20 N ATOM 1170 CA ILE A 74 76.036 -3.641 12.552 1.00 0.21 C ATOM 1171 C ILE A 74 75.093 -4.831 12.765 1.00 0.21 C ATOM 1172 O ILE A 74 75.462 -5.972 12.557 1.00 0.23 O ATOM 1173 CB ILE A 74 76.082 -3.246 11.067 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.097 -2.105 10.845 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.692 -2.785 10.618 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.724 -0.876 11.686 1.00 0.77 C ATOM 0 H ILE A 74 77.984 -4.431 12.152 1.00 0.20 H new ATOM 0 HA ILE A 74 75.661 -2.829 13.175 1.00 0.21 H new ATOM 0 HB ILE A 74 76.391 -4.112 10.482 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.098 -2.445 11.112 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.123 -1.835 9.789 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.724 -2.505 9.565 1.00 0.27 H new ATOM 0 HG22 ILE A 74 73.977 -3.596 10.756 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.384 -1.925 11.213 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.452 -0.083 11.515 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.732 -0.526 11.399 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.722 -1.145 12.742 1.00 0.77 H new ATOM 1188 N LYS A 75 73.896 -4.567 13.233 1.00 0.22 N ATOM 1189 CA LYS A 75 72.932 -5.671 13.531 1.00 0.24 C ATOM 1190 C LYS A 75 71.558 -5.387 12.888 1.00 0.24 C ATOM 1191 O LYS A 75 71.283 -4.266 12.498 1.00 0.23 O ATOM 1192 CB LYS A 75 72.814 -5.690 15.055 1.00 0.29 C ATOM 1193 CG LYS A 75 74.107 -6.240 15.662 1.00 1.19 C ATOM 1194 CD LYS A 75 74.385 -5.540 16.994 1.00 1.71 C ATOM 1195 CE LYS A 75 73.314 -5.936 18.013 1.00 2.52 C ATOM 1196 NZ LYS A 75 73.560 -5.056 19.189 1.00 3.21 N ATOM 0 H LYS A 75 73.545 -3.628 13.422 1.00 0.22 H new ATOM 0 HA LYS A 75 73.271 -6.626 13.131 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.624 -4.683 15.428 1.00 0.29 H new ATOM 0 HB3 LYS A 75 71.967 -6.307 15.357 1.00 0.29 H new ATOM 0 HG2 LYS A 75 74.020 -7.316 15.816 1.00 1.19 H new ATOM 0 HG3 LYS A 75 74.939 -6.082 14.976 1.00 1.19 H new ATOM 0 HD2 LYS A 75 75.373 -5.816 17.363 1.00 1.71 H new ATOM 0 HD3 LYS A 75 74.388 -4.459 16.855 1.00 1.71 H new ATOM 0 HE2 LYS A 75 72.312 -5.787 17.611 1.00 2.52 H new ATOM 0 HE3 LYS A 75 73.396 -6.989 18.283 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 72.864 -5.268 19.933 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 74.519 -5.225 19.554 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 73.469 -4.060 18.903 1.00 3.21 H new ATOM 1210 N PRO A 76 70.728 -6.411 12.776 1.00 0.25 N ATOM 1211 CA PRO A 76 69.393 -6.226 12.148 1.00 0.26 C ATOM 1212 C PRO A 76 68.565 -5.189 12.917 1.00 0.24 C ATOM 1213 O PRO A 76 68.462 -5.240 14.129 1.00 0.23 O ATOM 1214 CB PRO A 76 68.738 -7.608 12.229 1.00 0.29 C ATOM 1215 CG PRO A 76 69.550 -8.387 13.216 1.00 0.50 C ATOM 1216 CD PRO A 76 70.935 -7.803 13.210 1.00 0.28 C ATOM 0 HA PRO A 76 69.466 -5.858 11.124 1.00 0.26 H new ATOM 0 HB2 PRO A 76 67.700 -7.530 12.552 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.733 -8.096 11.254 1.00 0.29 H new ATOM 0 HG2 PRO A 76 69.110 -8.324 14.211 1.00 0.50 H new ATOM 0 HG3 PRO A 76 69.576 -9.442 12.945 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.393 -7.850 14.198 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.593 -8.341 12.528 1.00 0.28 H new ATOM 1224 N GLY A 77 67.920 -4.294 12.208 1.00 0.24 N ATOM 1225 CA GLY A 77 67.024 -3.295 12.870 1.00 0.24 C ATOM 1226 C GLY A 77 67.791 -2.003 13.211 1.00 0.22 C ATOM 1227 O GLY A 77 67.218 -1.075 13.754 1.00 0.24 O ATOM 0 H GLY A 77 67.977 -4.213 11.193 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.186 -3.062 12.213 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.605 -3.724 13.780 1.00 0.24 H new ATOM 1231 N GLU A 78 69.071 -1.927 12.904 1.00 0.20 N ATOM 1232 CA GLU A 78 69.853 -0.689 13.218 1.00 0.20 C ATOM 1233 C GLU A 78 69.949 0.210 11.989 1.00 0.18 C ATOM 1234 O GLU A 78 70.163 -0.261 10.888 1.00 0.18 O ATOM 1235 CB GLU A 78 71.236 -1.177 13.643 1.00 0.20 C ATOM 1236 CG GLU A 78 71.269 -1.332 15.168 1.00 0.22 C ATOM 1237 CD GLU A 78 72.693 -1.660 15.638 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.456 -2.190 14.847 1.00 1.07 O ATOM 1239 OE2 GLU A 78 72.993 -1.374 16.785 1.00 1.11 O ATOM 0 H GLU A 78 69.603 -2.670 12.450 1.00 0.20 H new ATOM 0 HA GLU A 78 69.379 -0.097 14.001 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.462 -2.130 13.164 1.00 0.20 H new ATOM 0 HB3 GLU A 78 72.000 -0.469 13.321 1.00 0.20 H new ATOM 0 HG2 GLU A 78 70.925 -0.413 15.642 1.00 0.22 H new ATOM 0 HG3 GLU A 78 70.586 -2.124 15.475 1.00 0.22 H new ATOM 1246 N VAL A 79 69.694 1.484 12.162 1.00 0.19 N ATOM 1247 CA VAL A 79 69.646 2.409 10.989 1.00 0.18 C ATOM 1248 C VAL A 79 71.014 3.051 10.731 1.00 0.18 C ATOM 1249 O VAL A 79 71.643 3.593 11.620 1.00 0.19 O ATOM 1250 CB VAL A 79 68.598 3.469 11.366 1.00 0.20 C ATOM 1251 CG1 VAL A 79 69.040 4.241 12.622 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.417 4.440 10.193 1.00 0.21 C ATOM 0 H VAL A 79 69.517 1.923 13.066 1.00 0.19 H new ATOM 0 HA VAL A 79 69.387 1.886 10.068 1.00 0.18 H new ATOM 0 HB VAL A 79 67.651 2.973 11.582 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.287 4.987 12.874 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.156 3.546 13.454 1.00 0.24 H new ATOM 0 HG13 VAL A 79 69.991 4.737 12.428 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.675 5.194 10.456 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.367 4.927 9.974 1.00 0.21 H new ATOM 0 HG23 VAL A 79 68.080 3.890 9.314 1.00 0.21 H new ATOM 1262 N ILE A 80 71.429 3.052 9.493 1.00 0.17 N ATOM 1263 CA ILE A 80 72.702 3.721 9.102 1.00 0.17 C ATOM 1264 C ILE A 80 72.414 4.758 8.009 1.00 0.17 C ATOM 1265 O ILE A 80 71.438 4.651 7.288 1.00 0.17 O ATOM 1266 CB ILE A 80 73.608 2.595 8.576 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.948 1.913 7.370 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.841 1.564 9.684 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.897 0.870 6.772 1.00 0.18 C ATOM 0 H ILE A 80 70.929 2.609 8.722 1.00 0.17 H new ATOM 0 HA ILE A 80 73.175 4.249 9.930 1.00 0.17 H new ATOM 0 HB ILE A 80 74.563 3.020 8.268 1.00 0.17 H new ATOM 0 HG12 ILE A 80 72.017 1.436 7.676 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.692 2.658 6.616 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.483 0.767 9.310 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.321 2.047 10.535 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.885 1.144 9.997 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.420 0.392 5.917 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.816 1.358 6.448 1.00 0.18 H new ATOM 0 HD13 ILE A 80 74.131 0.117 7.525 1.00 0.18 H new ATOM 1281 N GLU A 81 73.295 5.705 7.836 1.00 0.18 N ATOM 1282 CA GLU A 81 73.135 6.702 6.739 1.00 0.18 C ATOM 1283 C GLU A 81 74.001 6.280 5.555 1.00 0.17 C ATOM 1284 O GLU A 81 75.109 5.809 5.733 1.00 0.19 O ATOM 1285 CB GLU A 81 73.628 8.022 7.332 1.00 0.20 C ATOM 1286 CG GLU A 81 73.376 9.158 6.339 1.00 0.21 C ATOM 1287 CD GLU A 81 73.941 10.462 6.906 1.00 0.23 C ATOM 1288 OE1 GLU A 81 75.024 10.419 7.469 1.00 1.04 O ATOM 1289 OE2 GLU A 81 73.284 11.479 6.768 1.00 1.14 O ATOM 0 H GLU A 81 74.126 5.832 8.413 1.00 0.18 H new ATOM 0 HA GLU A 81 72.109 6.786 6.381 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.113 8.225 8.271 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.692 7.955 7.560 1.00 0.20 H new ATOM 0 HG2 GLU A 81 73.846 8.931 5.382 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.307 9.262 6.152 1.00 0.21 H new ATOM 1296 N VAL A 82 73.427 6.267 4.381 1.00 0.16 N ATOM 1297 CA VAL A 82 74.126 5.671 3.205 1.00 0.17 C ATOM 1298 C VAL A 82 74.429 6.751 2.165 1.00 0.16 C ATOM 1299 O VAL A 82 73.565 7.509 1.769 1.00 0.17 O ATOM 1300 CB VAL A 82 73.142 4.630 2.654 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.736 3.957 1.417 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.878 3.564 3.721 1.00 0.19 C ATOM 0 H VAL A 82 72.500 6.645 4.185 1.00 0.16 H new ATOM 0 HA VAL A 82 75.084 5.222 3.469 1.00 0.17 H new ATOM 0 HB VAL A 82 72.210 5.128 2.386 1.00 0.18 H new ATOM 0 HG11 VAL A 82 73.033 3.219 1.031 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.930 4.709 0.652 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.670 3.462 1.685 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.179 2.824 3.331 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.815 3.074 3.986 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.451 4.034 4.607 1.00 0.19 H new ATOM 1312 N LEU A 83 75.654 6.797 1.715 1.00 0.16 N ATOM 1313 CA LEU A 83 76.054 7.799 0.679 1.00 0.17 C ATOM 1314 C LEU A 83 76.474 7.061 -0.595 1.00 0.15 C ATOM 1315 O LEU A 83 77.363 6.234 -0.553 1.00 0.12 O ATOM 1316 CB LEU A 83 77.284 8.537 1.254 1.00 0.21 C ATOM 1317 CG LEU A 83 77.042 9.005 2.696 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.296 9.709 3.215 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.859 9.969 2.733 1.00 0.20 C ATOM 0 H LEU A 83 76.404 6.178 2.023 1.00 0.16 H new ATOM 0 HA LEU A 83 75.239 8.483 0.443 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.151 7.876 1.226 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.519 9.397 0.627 1.00 0.21 H new ATOM 0 HG LEU A 83 76.820 8.144 3.326 1.00 0.20 H new ATOM 0 HD11 LEU A 83 78.128 10.043 4.239 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.138 9.017 3.192 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.517 10.570 2.584 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.690 10.299 3.758 1.00 0.20 H new ATOM 0 HD22 LEU A 83 76.074 10.833 2.104 1.00 0.20 H new ATOM 0 HD23 LEU A 83 74.967 9.464 2.363 1.00 0.20 H new ATOM 1331 N LEU A 84 75.960 7.453 -1.736 1.00 0.16 N ATOM 1332 CA LEU A 84 76.472 6.879 -3.021 1.00 0.15 C ATOM 1333 C LEU A 84 77.767 7.584 -3.423 1.00 0.15 C ATOM 1334 O LEU A 84 77.933 8.765 -3.184 1.00 0.17 O ATOM 1335 CB LEU A 84 75.374 7.123 -4.051 1.00 0.18 C ATOM 1336 CG LEU A 84 74.344 5.991 -3.960 1.00 0.21 C ATOM 1337 CD1 LEU A 84 72.954 6.508 -4.373 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.773 4.836 -4.885 1.00 0.28 C ATOM 0 H LEU A 84 75.213 8.141 -1.834 1.00 0.16 H new ATOM 0 HA LEU A 84 76.699 5.816 -2.936 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.894 8.084 -3.869 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.800 7.164 -5.053 1.00 0.18 H new ATOM 0 HG LEU A 84 74.292 5.632 -2.932 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.229 5.697 -4.305 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.655 7.318 -3.708 1.00 0.20 H new ATOM 0 HD13 LEU A 84 72.992 6.875 -5.398 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.043 4.029 -4.823 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.830 5.195 -5.913 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.750 4.465 -4.575 1.00 0.28 H new ATOM 1350 N LEU A 85 78.717 6.848 -3.942 1.00 0.14 N ATOM 1351 CA LEU A 85 80.048 7.444 -4.263 1.00 0.17 C ATOM 1352 C LEU A 85 80.291 7.465 -5.775 1.00 0.18 C ATOM 1353 O LEU A 85 81.013 8.312 -6.272 1.00 0.24 O ATOM 1354 CB LEU A 85 81.062 6.540 -3.561 1.00 0.22 C ATOM 1355 CG LEU A 85 81.315 7.064 -2.147 1.00 0.89 C ATOM 1356 CD1 LEU A 85 81.938 5.956 -1.294 1.00 1.13 C ATOM 1357 CD2 LEU A 85 82.272 8.258 -2.210 1.00 1.60 C ATOM 0 H LEU A 85 78.627 5.855 -4.158 1.00 0.14 H new ATOM 0 HA LEU A 85 80.122 8.480 -3.931 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.687 5.517 -3.520 1.00 0.22 H new ATOM 0 HB3 LEU A 85 81.995 6.515 -4.124 1.00 0.22 H new ATOM 0 HG LEU A 85 80.371 7.377 -1.702 1.00 0.89 H new ATOM 0 HD11 LEU A 85 82.118 6.330 -0.286 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.258 5.105 -1.249 1.00 1.13 H new ATOM 0 HD13 LEU A 85 82.882 5.642 -1.739 1.00 1.13 H new ATOM 0 HD21 LEU A 85 82.453 8.633 -1.203 1.00 1.60 H new ATOM 0 HD22 LEU A 85 83.216 7.945 -2.656 1.00 1.60 H new ATOM 0 HD23 LEU A 85 81.829 9.048 -2.817 1.00 1.60 H new ATOM 1369 N GLY A 86 79.749 6.510 -6.498 1.00 0.16 N ATOM 1370 CA GLY A 86 80.020 6.451 -7.976 1.00 0.20 C ATOM 1371 C GLY A 86 79.078 5.461 -8.667 1.00 0.17 C ATOM 1372 O GLY A 86 78.199 4.896 -8.050 1.00 0.15 O ATOM 0 H GLY A 86 79.139 5.777 -6.136 1.00 0.16 H new ATOM 0 HA2 GLY A 86 79.895 7.442 -8.412 1.00 0.20 H new ATOM 0 HA3 GLY A 86 81.055 6.155 -8.148 1.00 0.20 H new ATOM 1376 N HIS A 87 79.241 5.281 -9.960 1.00 0.20 N ATOM 1377 CA HIS A 87 78.336 4.364 -10.727 1.00 0.19 C ATOM 1378 C HIS A 87 79.114 3.643 -11.840 1.00 0.19 C ATOM 1379 O HIS A 87 80.069 4.174 -12.378 1.00 0.24 O ATOM 1380 CB HIS A 87 77.254 5.278 -11.330 1.00 0.28 C ATOM 1381 CG HIS A 87 77.883 6.323 -12.221 1.00 0.76 C ATOM 1382 ND1 HIS A 87 78.161 6.084 -13.557 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.290 7.612 -11.978 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.712 7.202 -14.064 1.00 1.57 C ATOM 1385 NE2 HIS A 87 78.814 8.166 -13.143 1.00 1.89 N ATOM 0 H HIS A 87 79.966 5.733 -10.518 1.00 0.20 H new ATOM 0 HA HIS A 87 77.908 3.589 -10.091 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.544 4.682 -11.903 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.692 5.762 -10.532 1.00 0.28 H new ATOM 0 HD2 HIS A 87 78.215 8.119 -11.027 1.00 1.72 H new ATOM 0 HE1 HIS A 87 79.033 7.308 -15.090 1.00 1.57 H new ATOM 0 HE2 HIS A 87 79.194 9.105 -13.267 1.00 1.89 H new ATOM 1393 N TYR A 88 78.663 2.473 -12.238 1.00 0.16 N ATOM 1394 CA TYR A 88 79.316 1.756 -13.375 1.00 0.19 C ATOM 1395 C TYR A 88 78.256 1.183 -14.320 1.00 0.21 C ATOM 1396 O TYR A 88 77.249 0.648 -13.887 1.00 0.17 O ATOM 1397 CB TYR A 88 80.128 0.636 -12.728 1.00 0.21 C ATOM 1398 CG TYR A 88 81.273 1.233 -11.946 1.00 0.32 C ATOM 1399 CD1 TYR A 88 82.522 1.506 -12.601 1.00 0.66 C ATOM 1400 CD2 TYR A 88 81.115 1.529 -10.552 1.00 0.59 C ATOM 1401 CE1 TYR A 88 83.611 2.074 -11.860 1.00 0.77 C ATOM 1402 CE2 TYR A 88 82.205 2.099 -9.810 1.00 0.70 C ATOM 1403 CZ TYR A 88 83.453 2.370 -10.466 1.00 0.65 C ATOM 1404 OH TYR A 88 84.501 2.918 -9.753 1.00 0.80 O ATOM 0 H TYR A 88 77.869 1.987 -11.821 1.00 0.16 H new ATOM 0 HA TYR A 88 79.945 2.417 -13.972 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.492 0.045 -12.069 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.509 -0.040 -13.493 1.00 0.21 H new ATOM 0 HD1 TYR A 88 82.641 1.284 -13.651 1.00 0.66 H new ATOM 0 HD2 TYR A 88 80.176 1.323 -10.060 1.00 0.59 H new ATOM 0 HE1 TYR A 88 84.550 2.279 -12.352 1.00 0.77 H new ATOM 0 HE2 TYR A 88 82.086 2.323 -8.760 1.00 0.70 H new ATOM 0 HH TYR A 88 84.191 3.172 -8.859 1.00 0.80 H new