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 Set 1.1: A 38 LYS NZ :NH3+ 168:sc= 0.106 (180deg=0) USER MOD Set 1.2: A 51 THR OG1 : rot 120:sc= -2.54 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2.6!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -8:sc= -2.06 USER MOD Single : A 12 HIS : no HD1:sc= -0.544 X(o=-0.54,f=-0.24) USER MOD Single : A 23 THR OG1 : rot -90:sc= -1.11 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -169:sc= -0.713 USER MOD Single : A 31 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.5!) USER MOD Single : A 41 LYS NZ :NH3+ -167:sc= 0.257 (180deg=0.162) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -125:sc= -0.0107 (180deg=-0.309) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 86:sc= -0.968 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= -0.103 K(o=-0.1,f=-0.79) USER MOD Single : A 88 TYR OH : rot 174:sc= 0.141 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 78.990 12.996 -3.574 1.00 0.40 N ATOM 33 CA VAL A 3 78.001 11.904 -3.388 1.00 0.33 C ATOM 34 C VAL A 3 76.885 12.031 -4.434 1.00 0.31 C ATOM 35 O VAL A 3 76.467 13.125 -4.771 1.00 0.37 O ATOM 36 CB VAL A 3 77.493 12.073 -1.936 1.00 0.36 C ATOM 37 CG1 VAL A 3 76.436 13.187 -1.813 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.891 10.752 -1.456 1.00 0.30 C ATOM 0 HA VAL A 3 78.419 10.907 -3.529 1.00 0.33 H new ATOM 0 HB VAL A 3 78.345 12.357 -1.319 1.00 0.36 H new ATOM 0 HG11 VAL A 3 76.111 13.267 -0.776 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.868 14.135 -2.132 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.580 12.948 -2.444 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.532 10.866 -0.433 1.00 0.30 H new ATOM 0 HG22 VAL A 3 76.060 10.474 -2.104 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.652 9.972 -1.488 1.00 0.30 H new ATOM 48 N LEU A 4 76.439 10.931 -4.968 1.00 0.26 N ATOM 49 CA LEU A 4 75.384 10.978 -6.026 1.00 0.28 C ATOM 50 C LEU A 4 73.986 10.994 -5.390 1.00 0.28 C ATOM 51 O LEU A 4 73.035 11.454 -5.991 1.00 0.30 O ATOM 52 CB LEU A 4 75.597 9.712 -6.876 1.00 0.27 C ATOM 53 CG LEU A 4 77.069 9.584 -7.337 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.203 8.400 -8.296 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.532 10.871 -8.046 1.00 0.37 C ATOM 0 H LEU A 4 76.759 9.995 -4.719 1.00 0.26 H new ATOM 0 HA LEU A 4 75.455 11.879 -6.635 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.317 8.832 -6.297 1.00 0.27 H new ATOM 0 HB3 LEU A 4 74.942 9.742 -7.747 1.00 0.27 H new ATOM 0 HG LEU A 4 77.695 9.424 -6.459 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.240 8.310 -8.620 1.00 0.36 H new ATOM 0 HD12 LEU A 4 76.901 7.484 -7.788 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.564 8.561 -9.164 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.569 10.759 -8.362 1.00 0.37 H new ATOM 0 HD22 LEU A 4 76.904 11.052 -8.919 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.450 11.714 -7.360 1.00 0.37 H new ATOM 67 N ALA A 5 73.868 10.553 -4.154 1.00 0.25 N ATOM 68 CA ALA A 5 72.550 10.607 -3.447 1.00 0.25 C ATOM 69 C ALA A 5 72.737 10.221 -1.977 1.00 0.23 C ATOM 70 O ALA A 5 73.685 9.543 -1.628 1.00 0.25 O ATOM 71 CB ALA A 5 71.659 9.584 -4.157 1.00 0.26 C ATOM 0 H ALA A 5 74.633 10.158 -3.607 1.00 0.25 H new ATOM 0 HA ALA A 5 72.111 11.604 -3.472 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.675 9.571 -3.688 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.557 9.857 -5.207 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.110 8.594 -4.081 1.00 0.26 H new ATOM 77 N LYS A 6 71.836 10.637 -1.122 1.00 0.22 N ATOM 78 CA LYS A 6 71.945 10.286 0.326 1.00 0.22 C ATOM 79 C LYS A 6 70.597 9.784 0.852 1.00 0.21 C ATOM 80 O LYS A 6 69.590 10.459 0.730 1.00 0.23 O ATOM 81 CB LYS A 6 72.333 11.596 1.018 1.00 0.24 C ATOM 82 CG LYS A 6 72.539 11.347 2.513 1.00 1.40 C ATOM 83 CD LYS A 6 72.645 12.687 3.244 1.00 1.50 C ATOM 84 CE LYS A 6 73.946 13.387 2.844 1.00 1.79 C ATOM 85 NZ LYS A 6 73.771 14.801 3.280 1.00 2.30 N ATOM 0 H LYS A 6 71.026 11.207 -1.367 1.00 0.22 H new ATOM 0 HA LYS A 6 72.672 9.494 0.507 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.246 11.995 0.577 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.553 12.343 0.868 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.708 10.767 2.914 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.444 10.761 2.674 1.00 1.40 H new ATOM 0 HD2 LYS A 6 71.790 13.317 2.997 1.00 1.50 H new ATOM 0 HD3 LYS A 6 72.622 12.528 4.322 1.00 1.50 H new ATOM 0 HE2 LYS A 6 74.807 12.928 3.330 1.00 1.79 H new ATOM 0 HE3 LYS A 6 74.115 13.323 1.769 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 74.623 15.346 3.040 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 72.948 15.214 2.796 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 73.619 14.831 4.308 1.00 2.30 H new ATOM 99 N PHE A 7 70.579 8.621 1.461 1.00 0.19 N ATOM 100 CA PHE A 7 69.300 8.090 2.030 1.00 0.19 C ATOM 101 C PHE A 7 69.576 7.220 3.263 1.00 0.17 C ATOM 102 O PHE A 7 70.698 6.828 3.512 1.00 0.16 O ATOM 103 CB PHE A 7 68.670 7.280 0.888 1.00 0.20 C ATOM 104 CG PHE A 7 69.550 6.108 0.507 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.761 6.328 -0.232 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.170 4.777 0.884 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.591 5.214 -0.593 1.00 0.19 C ATOM 108 CE2 PHE A 7 70.000 3.665 0.521 1.00 0.20 C ATOM 109 CZ PHE A 7 71.210 3.882 -0.216 1.00 0.20 C ATOM 0 H PHE A 7 71.392 8.019 1.588 1.00 0.19 H new ATOM 0 HA PHE A 7 68.633 8.881 2.372 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.688 6.919 1.192 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.519 7.923 0.021 1.00 0.20 H new ATOM 0 HD1 PHE A 7 71.047 7.330 -0.516 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.259 4.612 1.441 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.503 5.378 -1.148 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.713 2.663 0.803 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.835 3.044 -0.488 1.00 0.20 H new ATOM 119 N HIS A 8 68.570 6.977 4.068 1.00 0.18 N ATOM 120 CA HIS A 8 68.775 6.201 5.332 1.00 0.18 C ATOM 121 C HIS A 8 68.040 4.857 5.256 1.00 0.17 C ATOM 122 O HIS A 8 66.905 4.784 4.823 1.00 0.18 O ATOM 123 CB HIS A 8 68.173 7.074 6.432 1.00 0.20 C ATOM 124 CG HIS A 8 68.945 8.360 6.534 1.00 0.77 C ATOM 125 ND1 HIS A 8 68.597 9.491 5.812 1.00 1.41 N ATOM 126 CD2 HIS A 8 70.051 8.712 7.269 1.00 1.61 C ATOM 127 CE1 HIS A 8 69.476 10.460 6.126 1.00 1.81 C ATOM 128 NE2 HIS A 8 70.384 10.037 7.011 1.00 1.99 N ATOM 0 H HIS A 8 67.611 7.284 3.903 1.00 0.18 H new ATOM 0 HA HIS A 8 69.827 5.979 5.513 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.126 7.283 6.212 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.199 6.546 7.385 1.00 0.20 H new ATOM 0 HD2 HIS A 8 70.582 8.058 7.945 1.00 1.61 H new ATOM 0 HE1 HIS A 8 69.451 11.458 5.713 1.00 1.81 H new ATOM 0 HE2 HIS A 8 71.155 10.571 7.411 1.00 1.99 H new ATOM 136 N THR A 9 68.670 3.808 5.719 1.00 0.16 N ATOM 137 CA THR A 9 68.012 2.466 5.735 1.00 0.17 C ATOM 138 C THR A 9 68.574 1.631 6.899 1.00 0.16 C ATOM 139 O THR A 9 69.643 1.920 7.400 1.00 0.15 O ATOM 140 CB THR A 9 68.333 1.838 4.362 1.00 0.17 C ATOM 141 OG1 THR A 9 67.581 0.644 4.207 1.00 0.18 O ATOM 142 CG2 THR A 9 69.828 1.519 4.239 1.00 0.17 C ATOM 0 H THR A 9 69.620 3.824 6.090 1.00 0.16 H new ATOM 0 HA THR A 9 66.934 2.521 5.888 1.00 0.17 H new ATOM 0 HB THR A 9 68.069 2.553 3.583 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.780 0.243 3.336 1.00 0.18 H new ATOM 0 HG21 THR A 9 70.027 1.078 3.262 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.406 2.437 4.347 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.115 0.815 5.020 1.00 0.17 H new ATOM 150 N THR A 10 67.892 0.582 7.295 1.00 0.17 N ATOM 151 CA THR A 10 68.431 -0.287 8.391 1.00 0.17 C ATOM 152 C THR A 10 68.839 -1.656 7.827 1.00 0.17 C ATOM 153 O THR A 10 68.445 -2.028 6.737 1.00 0.17 O ATOM 154 CB THR A 10 67.300 -0.389 9.448 1.00 0.17 C ATOM 155 OG1 THR A 10 67.842 -0.871 10.666 1.00 0.17 O ATOM 156 CG2 THR A 10 66.181 -1.342 9.009 1.00 0.17 C ATOM 0 H THR A 10 66.993 0.291 6.911 1.00 0.17 H new ATOM 0 HA THR A 10 69.331 0.126 8.847 1.00 0.17 H new ATOM 0 HB THR A 10 66.875 0.607 9.569 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.771 -1.147 10.524 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.412 -1.381 9.781 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.742 -0.984 8.078 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.592 -2.340 8.856 1.00 0.17 H new ATOM 164 N VAL A 11 69.671 -2.369 8.541 1.00 0.17 N ATOM 165 CA VAL A 11 70.171 -3.682 8.030 1.00 0.17 C ATOM 166 C VAL A 11 69.115 -4.769 8.236 1.00 0.17 C ATOM 167 O VAL A 11 68.564 -4.917 9.309 1.00 0.17 O ATOM 168 CB VAL A 11 71.432 -3.990 8.851 1.00 0.21 C ATOM 169 CG1 VAL A 11 72.043 -5.317 8.379 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.461 -2.862 8.669 1.00 0.49 C ATOM 0 H VAL A 11 70.027 -2.099 9.458 1.00 0.17 H new ATOM 0 HA VAL A 11 70.386 -3.647 6.962 1.00 0.17 H new ATOM 0 HB VAL A 11 71.162 -4.067 9.904 1.00 0.21 H new ATOM 0 HG11 VAL A 11 72.938 -5.534 8.963 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.318 -6.120 8.514 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.308 -5.241 7.324 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.353 -3.086 9.254 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.728 -2.780 7.616 1.00 0.49 H new ATOM 0 HG23 VAL A 11 72.032 -1.920 9.009 1.00 0.49 H new ATOM 180 N HIS A 12 68.913 -5.588 7.239 1.00 0.21 N ATOM 181 CA HIS A 12 67.994 -6.755 7.376 1.00 0.25 C ATOM 182 C HIS A 12 68.785 -8.049 7.222 1.00 0.25 C ATOM 183 O HIS A 12 69.972 -8.035 6.957 1.00 0.25 O ATOM 184 CB HIS A 12 66.963 -6.626 6.256 1.00 0.26 C ATOM 185 CG HIS A 12 65.841 -5.735 6.711 1.00 0.31 C ATOM 186 ND1 HIS A 12 66.037 -4.399 7.021 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.506 -5.978 6.921 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.849 -3.892 7.398 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.881 -4.811 7.354 1.00 0.56 N ATOM 0 H HIS A 12 69.352 -5.497 6.323 1.00 0.21 H new ATOM 0 HA HIS A 12 67.509 -6.774 8.352 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.430 -6.213 5.362 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.576 -7.609 5.988 1.00 0.26 H new ATOM 0 HD2 HIS A 12 64.016 -6.929 6.773 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.697 -2.866 7.700 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.896 -4.685 7.587 1.00 0.56 H new ATOM 197 N ARG A 13 68.153 -9.167 7.475 1.00 0.29 N ATOM 198 CA ARG A 13 68.867 -10.493 7.445 1.00 0.32 C ATOM 199 C ARG A 13 69.759 -10.642 6.196 1.00 0.29 C ATOM 200 O ARG A 13 69.559 -9.983 5.196 1.00 0.24 O ATOM 201 CB ARG A 13 67.741 -11.526 7.406 1.00 0.36 C ATOM 202 CG ARG A 13 67.018 -11.549 8.755 1.00 0.72 C ATOM 203 CD ARG A 13 65.960 -12.655 8.747 1.00 1.16 C ATOM 204 NE ARG A 13 65.172 -12.452 10.006 1.00 1.81 N ATOM 205 CZ ARG A 13 63.947 -12.928 10.145 1.00 2.39 C ATOM 206 NH1 ARG A 13 63.352 -13.612 9.191 1.00 2.96 N ATOM 207 NH2 ARG A 13 63.308 -12.715 11.263 1.00 2.76 N ATOM 0 H ARG A 13 67.161 -9.224 7.704 1.00 0.29 H new ATOM 0 HA ARG A 13 69.531 -10.606 8.302 1.00 0.32 H new ATOM 0 HB2 ARG A 13 67.038 -11.283 6.609 1.00 0.36 H new ATOM 0 HB3 ARG A 13 68.147 -12.513 7.183 1.00 0.36 H new ATOM 0 HG2 ARG A 13 67.733 -11.720 9.560 1.00 0.72 H new ATOM 0 HG3 ARG A 13 66.549 -10.584 8.945 1.00 0.72 H new ATOM 0 HD2 ARG A 13 65.321 -12.583 7.867 1.00 1.16 H new ATOM 0 HD3 ARG A 13 66.422 -13.642 8.726 1.00 1.16 H new ATOM 0 HE ARG A 13 65.593 -11.932 10.776 1.00 1.81 H new ATOM 0 HH11 ARG A 13 63.837 -13.789 8.312 1.00 2.96 H new ATOM 0 HH12 ARG A 13 62.405 -13.965 9.331 1.00 2.96 H new ATOM 0 HH21 ARG A 13 63.755 -12.188 12.013 1.00 2.76 H new ATOM 0 HH22 ARG A 13 62.362 -13.076 11.386 1.00 2.76 H new ATOM 221 N ILE A 14 70.807 -11.429 6.305 1.00 0.34 N ATOM 222 CA ILE A 14 71.823 -11.580 5.194 1.00 0.34 C ATOM 223 C ILE A 14 72.554 -10.258 4.875 1.00 0.28 C ATOM 224 O ILE A 14 73.312 -10.199 3.922 1.00 0.29 O ATOM 225 CB ILE A 14 71.056 -12.064 3.947 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.245 -13.321 4.275 1.00 0.31 C ATOM 227 CG2 ILE A 14 72.057 -12.396 2.838 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.265 -13.597 3.134 1.00 0.36 C ATOM 0 H ILE A 14 71.010 -11.988 7.134 1.00 0.34 H new ATOM 0 HA ILE A 14 72.591 -12.289 5.504 1.00 0.34 H new ATOM 0 HB ILE A 14 70.378 -11.275 3.622 1.00 0.36 H new ATOM 0 HG12 ILE A 14 70.911 -14.173 4.413 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.703 -13.185 5.211 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.520 -12.739 1.954 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.634 -11.505 2.590 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.732 -13.181 3.180 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.684 -14.491 3.361 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.592 -12.747 3.018 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.819 -13.750 2.208 1.00 0.36 H new ATOM 240 N GLY A 15 72.358 -9.209 5.649 1.00 0.24 N ATOM 241 CA GLY A 15 73.066 -7.922 5.368 1.00 0.20 C ATOM 242 C GLY A 15 72.393 -7.183 4.200 1.00 0.17 C ATOM 243 O GLY A 15 72.990 -6.309 3.596 1.00 0.15 O ATOM 0 H GLY A 15 71.739 -9.194 6.460 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.057 -7.293 6.258 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.111 -8.119 5.128 1.00 0.20 H new ATOM 247 N ARG A 16 71.181 -7.557 3.842 1.00 0.18 N ATOM 248 CA ARG A 16 70.503 -6.906 2.679 1.00 0.18 C ATOM 249 C ARG A 16 69.809 -5.616 3.126 1.00 0.19 C ATOM 250 O ARG A 16 69.190 -5.572 4.171 1.00 0.24 O ATOM 251 CB ARG A 16 69.474 -7.934 2.195 1.00 0.26 C ATOM 252 CG ARG A 16 68.742 -7.392 0.964 1.00 0.26 C ATOM 253 CD ARG A 16 67.754 -8.444 0.453 1.00 0.76 C ATOM 254 NE ARG A 16 66.685 -8.520 1.501 1.00 0.91 N ATOM 255 CZ ARG A 16 65.897 -9.577 1.616 1.00 1.31 C ATOM 256 NH1 ARG A 16 66.005 -10.618 0.818 1.00 1.96 N ATOM 257 NH2 ARG A 16 64.986 -9.587 2.550 1.00 1.41 N ATOM 0 H ARG A 16 70.637 -8.284 4.307 1.00 0.18 H new ATOM 0 HA ARG A 16 71.204 -6.630 1.891 1.00 0.18 H new ATOM 0 HB2 ARG A 16 69.971 -8.873 1.950 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.759 -8.149 2.989 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.213 -6.473 1.218 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.459 -7.141 0.182 1.00 0.26 H new ATOM 0 HD2 ARG A 16 67.339 -8.158 -0.513 1.00 0.76 H new ATOM 0 HD3 ARG A 16 68.242 -9.409 0.317 1.00 0.76 H new ATOM 0 HE ARG A 16 66.562 -7.736 2.142 1.00 0.91 H new ATOM 0 HH11 ARG A 16 66.713 -10.626 0.083 1.00 1.96 H new ATOM 0 HH12 ARG A 16 65.381 -11.417 0.934 1.00 1.96 H new ATOM 0 HH21 ARG A 16 64.890 -8.788 3.177 1.00 1.41 H new ATOM 0 HH22 ARG A 16 64.370 -10.393 2.653 1.00 1.41 H new ATOM 271 N ILE A 17 69.793 -4.622 2.274 1.00 0.18 N ATOM 272 CA ILE A 17 68.991 -3.392 2.556 1.00 0.21 C ATOM 273 C ILE A 17 68.176 -3.022 1.312 1.00 0.19 C ATOM 274 O ILE A 17 68.575 -3.325 0.203 1.00 0.15 O ATOM 275 CB ILE A 17 70.013 -2.295 2.904 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.952 -2.042 1.713 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.842 -2.728 4.116 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.774 -0.766 1.947 1.00 0.30 C ATOM 0 H ILE A 17 70.303 -4.609 1.391 1.00 0.18 H new ATOM 0 HA ILE A 17 68.284 -3.531 3.374 1.00 0.21 H new ATOM 0 HB ILE A 17 69.473 -1.377 3.135 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.619 -2.894 1.579 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.370 -1.946 0.796 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.565 -1.949 4.360 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.183 -2.891 4.968 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.370 -3.653 3.884 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.435 -0.598 1.097 1.00 0.30 H new ATOM 0 HD12 ILE A 17 71.102 0.085 2.058 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.370 -0.878 2.853 1.00 0.30 H new ATOM 290 N ILE A 18 67.087 -2.312 1.481 1.00 0.23 N ATOM 291 CA ILE A 18 66.300 -1.854 0.294 1.00 0.20 C ATOM 292 C ILE A 18 66.317 -0.331 0.216 1.00 0.20 C ATOM 293 O ILE A 18 65.941 0.347 1.156 1.00 0.22 O ATOM 294 CB ILE A 18 64.864 -2.353 0.511 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.845 -3.877 0.739 1.00 0.25 C ATOM 296 CG2 ILE A 18 64.019 -2.007 -0.721 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.481 -4.609 -0.449 1.00 0.24 C ATOM 0 H ILE A 18 66.710 -2.031 2.386 1.00 0.23 H new ATOM 0 HA ILE A 18 66.718 -2.241 -0.635 1.00 0.20 H new ATOM 0 HB ILE A 18 64.452 -1.867 1.395 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.385 -4.120 1.654 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.818 -4.217 0.875 1.00 0.25 H new ATOM 0 HG21 ILE A 18 62.998 -2.359 -0.573 1.00 0.22 H new ATOM 0 HG22 ILE A 18 64.013 -0.927 -0.866 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.445 -2.489 -1.601 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.458 -5.684 -0.269 1.00 0.24 H new ATOM 0 HD12 ILE A 18 64.923 -4.381 -1.357 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.514 -4.283 -0.566 1.00 0.24 H new ATOM 309 N ILE A 19 66.674 0.207 -0.923 1.00 0.17 N ATOM 310 CA ILE A 19 66.628 1.691 -1.097 1.00 0.17 C ATOM 311 C ILE A 19 65.183 2.128 -1.377 1.00 0.19 C ATOM 312 O ILE A 19 64.487 1.463 -2.115 1.00 0.17 O ATOM 313 CB ILE A 19 67.537 2.000 -2.298 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.957 1.470 -1.994 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.567 3.521 -2.518 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.949 1.871 -3.094 1.00 0.23 C ATOM 0 H ILE A 19 66.995 -0.316 -1.738 1.00 0.17 H new ATOM 0 HA ILE A 19 66.963 2.224 -0.207 1.00 0.17 H new ATOM 0 HB ILE A 19 67.162 1.518 -3.201 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.296 1.862 -1.035 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.931 0.384 -1.903 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.209 3.753 -3.368 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.557 3.880 -2.717 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.956 4.010 -1.625 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.938 1.483 -2.851 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.622 1.457 -4.048 1.00 0.23 H new ATOM 0 HD13 ILE A 19 69.993 2.958 -3.166 1.00 0.23 H new ATOM 328 N PRO A 20 64.791 3.278 -0.863 1.00 0.24 N ATOM 329 CA PRO A 20 63.441 3.816 -1.187 1.00 0.28 C ATOM 330 C PRO A 20 63.343 4.101 -2.677 1.00 0.26 C ATOM 331 O PRO A 20 64.301 4.521 -3.297 1.00 0.25 O ATOM 332 CB PRO A 20 63.374 5.108 -0.385 1.00 0.34 C ATOM 333 CG PRO A 20 64.807 5.484 -0.211 1.00 0.35 C ATOM 334 CD PRO A 20 65.520 4.189 0.038 1.00 0.29 C ATOM 0 HA PRO A 20 62.629 3.129 -0.947 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.818 5.881 -0.915 1.00 0.34 H new ATOM 0 HB3 PRO A 20 62.878 4.960 0.574 1.00 0.34 H new ATOM 0 HG2 PRO A 20 65.195 5.984 -1.099 1.00 0.35 H new ATOM 0 HG3 PRO A 20 64.936 6.173 0.624 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.580 4.250 -0.209 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.453 3.877 1.080 1.00 0.29 H new ATOM 342 N ALA A 21 62.199 3.858 -3.257 1.00 0.28 N ATOM 343 CA ALA A 21 62.032 4.081 -4.728 1.00 0.29 C ATOM 344 C ALA A 21 62.353 5.536 -5.091 1.00 0.31 C ATOM 345 O ALA A 21 62.753 5.831 -6.202 1.00 0.32 O ATOM 346 CB ALA A 21 60.562 3.770 -5.024 1.00 0.33 C ATOM 0 H ALA A 21 61.368 3.513 -2.776 1.00 0.28 H new ATOM 0 HA ALA A 21 62.705 3.452 -5.310 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.367 3.913 -6.087 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.347 2.737 -4.751 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.925 4.439 -4.445 1.00 0.33 H new ATOM 352 N GLY A 22 62.179 6.443 -4.157 1.00 0.34 N ATOM 353 CA GLY A 22 62.468 7.883 -4.445 1.00 0.38 C ATOM 354 C GLY A 22 63.958 8.069 -4.730 1.00 0.37 C ATOM 355 O GLY A 22 64.335 8.764 -5.658 1.00 0.39 O ATOM 0 H GLY A 22 61.850 6.248 -3.211 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.881 8.216 -5.301 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.172 8.499 -3.596 1.00 0.38 H new ATOM 359 N THR A 23 64.808 7.455 -3.942 1.00 0.34 N ATOM 360 CA THR A 23 66.280 7.604 -4.165 1.00 0.34 C ATOM 361 C THR A 23 66.694 6.879 -5.447 1.00 0.30 C ATOM 362 O THR A 23 67.488 7.386 -6.217 1.00 0.32 O ATOM 363 CB THR A 23 66.954 6.975 -2.942 1.00 0.34 C ATOM 364 OG1 THR A 23 66.501 7.634 -1.768 1.00 0.39 O ATOM 365 CG2 THR A 23 68.475 7.124 -3.056 1.00 0.37 C ATOM 0 H THR A 23 64.547 6.859 -3.157 1.00 0.34 H new ATOM 0 HA THR A 23 66.570 8.648 -4.281 1.00 0.34 H new ATOM 0 HB THR A 23 66.700 5.916 -2.891 1.00 0.34 H new ATOM 0 HG1 THR A 23 67.092 8.390 -1.568 1.00 0.39 H new ATOM 0 HG21 THR A 23 68.951 6.675 -2.184 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.823 6.621 -3.958 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.734 8.182 -3.107 1.00 0.37 H new ATOM 373 N ARG A 24 66.115 5.728 -5.721 1.00 0.26 N ATOM 374 CA ARG A 24 66.432 5.007 -7.012 1.00 0.25 C ATOM 375 C ARG A 24 66.155 5.938 -8.197 1.00 0.28 C ATOM 376 O ARG A 24 66.874 5.954 -9.174 1.00 0.29 O ATOM 377 CB ARG A 24 65.492 3.791 -7.122 1.00 0.25 C ATOM 378 CG ARG A 24 65.406 3.006 -5.810 1.00 0.23 C ATOM 379 CD ARG A 24 65.044 1.552 -6.111 1.00 0.24 C ATOM 380 NE ARG A 24 64.272 1.092 -4.916 1.00 0.27 N ATOM 381 CZ ARG A 24 63.418 0.086 -4.982 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.215 -0.588 -6.093 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.762 -0.250 -3.906 1.00 0.39 N ATOM 0 H ARG A 24 65.443 5.257 -5.116 1.00 0.26 H new ATOM 0 HA ARG A 24 67.477 4.699 -7.021 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.496 4.129 -7.407 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.845 3.132 -7.915 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.358 3.053 -5.282 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.656 3.451 -5.156 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.448 1.473 -7.020 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.937 0.946 -6.262 1.00 0.24 H new ATOM 0 HE ARG A 24 64.409 1.568 -4.024 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.725 -0.339 -6.941 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.548 -1.359 -6.107 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.913 0.261 -3.036 1.00 0.39 H new ATOM 0 HH22 ARG A 24 62.098 -1.024 -3.934 1.00 0.39 H new ATOM 397 N LYS A 25 65.074 6.672 -8.116 1.00 0.32 N ATOM 398 CA LYS A 25 64.675 7.572 -9.241 1.00 0.37 C ATOM 399 C LYS A 25 65.706 8.688 -9.416 1.00 0.38 C ATOM 400 O LYS A 25 66.192 8.929 -10.504 1.00 0.40 O ATOM 401 CB LYS A 25 63.318 8.152 -8.820 1.00 0.42 C ATOM 402 CG LYS A 25 62.775 9.060 -9.921 1.00 1.08 C ATOM 403 CD LYS A 25 61.432 9.648 -9.482 1.00 1.68 C ATOM 404 CE LYS A 25 60.810 10.424 -10.646 1.00 2.42 C ATOM 405 NZ LYS A 25 59.580 11.044 -10.080 1.00 2.97 N ATOM 0 H LYS A 25 64.446 6.686 -7.312 1.00 0.32 H new ATOM 0 HA LYS A 25 64.616 7.044 -10.193 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.613 7.344 -8.623 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.425 8.715 -7.893 1.00 0.42 H new ATOM 0 HG2 LYS A 25 63.484 9.861 -10.129 1.00 1.08 H new ATOM 0 HG3 LYS A 25 62.652 8.495 -10.845 1.00 1.08 H new ATOM 0 HD2 LYS A 25 60.761 8.851 -9.162 1.00 1.68 H new ATOM 0 HD3 LYS A 25 61.574 10.307 -8.626 1.00 1.68 H new ATOM 0 HE2 LYS A 25 61.495 11.182 -11.026 1.00 2.42 H new ATOM 0 HE3 LYS A 25 60.572 9.763 -11.479 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 59.097 11.594 -10.819 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 58.944 10.298 -9.732 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 59.839 11.673 -9.293 1.00 2.97 H new ATOM 419 N PHE A 26 66.050 9.357 -8.346 1.00 0.38 N ATOM 420 CA PHE A 26 67.051 10.473 -8.430 1.00 0.42 C ATOM 421 C PHE A 26 68.376 9.971 -9.011 1.00 0.42 C ATOM 422 O PHE A 26 69.046 10.672 -9.746 1.00 0.46 O ATOM 423 CB PHE A 26 67.244 10.951 -6.988 1.00 0.43 C ATOM 424 CG PHE A 26 68.162 12.150 -6.966 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.659 13.445 -7.324 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.537 11.991 -6.590 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.532 14.584 -7.305 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.411 13.131 -6.570 1.00 0.64 C ATOM 429 CZ PHE A 26 69.908 14.426 -6.928 1.00 0.67 C ATOM 0 H PHE A 26 65.681 9.181 -7.412 1.00 0.38 H new ATOM 0 HA PHE A 26 66.708 11.275 -9.083 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.281 11.211 -6.549 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.664 10.148 -6.382 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.624 13.563 -7.608 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.915 11.015 -6.322 1.00 0.56 H new ATOM 0 HE1 PHE A 26 68.154 15.559 -7.574 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.446 13.013 -6.286 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.565 15.283 -6.914 1.00 0.67 H new ATOM 439 N TYR A 27 68.783 8.791 -8.627 1.00 0.39 N ATOM 440 CA TYR A 27 70.104 8.252 -9.084 1.00 0.42 C ATOM 441 C TYR A 27 69.970 7.508 -10.427 1.00 0.35 C ATOM 442 O TYR A 27 70.957 7.267 -11.100 1.00 0.37 O ATOM 443 CB TYR A 27 70.516 7.292 -7.964 1.00 0.46 C ATOM 444 CG TYR A 27 71.906 6.739 -8.197 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.127 5.729 -9.193 1.00 0.85 C ATOM 446 CD2 TYR A 27 73.001 7.204 -7.396 1.00 0.95 C ATOM 447 CE1 TYR A 27 73.440 5.187 -9.389 1.00 1.10 C ATOM 448 CE2 TYR A 27 74.313 6.655 -7.588 1.00 1.16 C ATOM 449 CZ TYR A 27 74.531 5.648 -8.583 1.00 1.18 C ATOM 450 OH TYR A 27 75.789 5.115 -8.758 1.00 1.44 O ATOM 0 H TYR A 27 68.256 8.171 -8.012 1.00 0.39 H new ATOM 0 HA TYR A 27 70.838 9.039 -9.257 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.485 7.812 -7.007 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.801 6.471 -7.904 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.303 5.377 -9.796 1.00 0.85 H new ATOM 0 HD2 TYR A 27 72.838 7.967 -6.649 1.00 0.95 H new ATOM 0 HE1 TYR A 27 73.606 4.432 -10.143 1.00 1.10 H new ATOM 0 HE2 TYR A 27 75.137 7.001 -6.982 1.00 1.16 H new ATOM 0 HH TYR A 27 76.372 5.407 -8.027 1.00 1.44 H new ATOM 460 N GLY A 28 68.764 7.183 -10.848 1.00 0.31 N ATOM 461 CA GLY A 28 68.588 6.494 -12.164 1.00 0.29 C ATOM 462 C GLY A 28 68.990 5.019 -12.030 1.00 0.26 C ATOM 463 O GLY A 28 69.695 4.487 -12.868 1.00 0.27 O ATOM 0 H GLY A 28 67.901 7.366 -10.336 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.551 6.571 -12.490 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.198 6.980 -12.925 1.00 0.29 H new ATOM 467 N ILE A 29 68.597 4.376 -10.954 1.00 0.24 N ATOM 468 CA ILE A 29 69.010 2.951 -10.726 1.00 0.23 C ATOM 469 C ILE A 29 68.016 1.993 -11.390 1.00 0.20 C ATOM 470 O ILE A 29 66.849 1.960 -11.045 1.00 0.22 O ATOM 471 CB ILE A 29 68.997 2.752 -9.199 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.957 3.750 -8.545 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.439 1.321 -8.854 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.884 3.637 -7.018 1.00 0.42 C ATOM 0 H ILE A 29 68.008 4.776 -10.224 1.00 0.24 H new ATOM 0 HA ILE A 29 69.991 2.746 -11.154 1.00 0.23 H new ATOM 0 HB ILE A 29 67.986 2.917 -8.826 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.976 3.559 -8.882 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.704 4.764 -8.854 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.427 1.187 -7.772 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.756 0.608 -9.315 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.448 1.151 -9.230 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.572 4.352 -6.567 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.868 3.851 -6.685 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.160 2.627 -6.714 1.00 0.42 H new ATOM 486 N GLU A 30 68.513 1.116 -12.225 1.00 0.17 N ATOM 487 CA GLU A 30 67.658 0.032 -12.791 1.00 0.18 C ATOM 488 C GLU A 30 68.337 -1.319 -12.558 1.00 0.17 C ATOM 489 O GLU A 30 69.530 -1.384 -12.320 1.00 0.18 O ATOM 490 CB GLU A 30 67.554 0.336 -14.287 1.00 0.22 C ATOM 491 CG GLU A 30 66.890 1.704 -14.488 1.00 1.06 C ATOM 492 CD GLU A 30 66.705 1.996 -15.986 1.00 1.14 C ATOM 493 OE1 GLU A 30 67.374 1.366 -16.792 1.00 1.37 O ATOM 494 OE2 GLU A 30 65.900 2.856 -16.302 1.00 1.82 O ATOM 0 H GLU A 30 69.483 1.106 -12.541 1.00 0.17 H new ATOM 0 HA GLU A 30 66.672 -0.012 -12.328 1.00 0.18 H new ATOM 0 HB2 GLU A 30 68.546 0.332 -14.739 1.00 0.22 H new ATOM 0 HB3 GLU A 30 66.973 -0.439 -14.786 1.00 0.22 H new ATOM 0 HG2 GLU A 30 65.923 1.723 -13.985 1.00 1.06 H new ATOM 0 HG3 GLU A 30 67.502 2.483 -14.032 1.00 1.06 H new ATOM 501 N GLN A 31 67.592 -2.398 -12.611 1.00 0.20 N ATOM 502 CA GLN A 31 68.199 -3.750 -12.369 1.00 0.20 C ATOM 503 C GLN A 31 69.347 -4.009 -13.353 1.00 0.19 C ATOM 504 O GLN A 31 69.241 -3.720 -14.532 1.00 0.20 O ATOM 505 CB GLN A 31 67.067 -4.753 -12.598 1.00 0.25 C ATOM 506 CG GLN A 31 66.004 -4.584 -11.507 1.00 1.08 C ATOM 507 CD GLN A 31 64.816 -5.519 -11.775 1.00 1.10 C ATOM 508 OE1 GLN A 31 64.811 -6.272 -12.732 1.00 0.70 O ATOM 509 NE2 GLN A 31 63.794 -5.498 -10.964 1.00 1.99 N ATOM 0 H GLN A 31 66.592 -2.403 -12.811 1.00 0.20 H new ATOM 0 HA GLN A 31 68.616 -3.830 -11.365 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.622 -4.597 -13.581 1.00 0.25 H new ATOM 0 HB3 GLN A 31 67.460 -5.770 -12.583 1.00 0.25 H new ATOM 0 HG2 GLN A 31 66.436 -4.804 -10.531 1.00 1.08 H new ATOM 0 HG3 GLN A 31 65.663 -3.549 -11.479 1.00 1.08 H new ATOM 0 HE21 GLN A 31 63.793 -4.869 -10.161 1.00 1.99 H new ATOM 0 HE22 GLN A 31 62.996 -6.110 -11.133 1.00 1.99 H new ATOM 518 N GLY A 32 70.428 -4.575 -12.877 1.00 0.18 N ATOM 519 CA GLY A 32 71.580 -4.891 -13.773 1.00 0.19 C ATOM 520 C GLY A 32 72.622 -3.761 -13.743 1.00 0.17 C ATOM 521 O GLY A 32 73.762 -3.971 -14.119 1.00 0.18 O ATOM 0 H GLY A 32 70.562 -4.833 -11.899 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.043 -5.827 -13.461 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.224 -5.036 -14.793 1.00 0.19 H new ATOM 525 N ASP A 33 72.270 -2.587 -13.252 1.00 0.15 N ATOM 526 CA ASP A 33 73.281 -1.484 -13.148 1.00 0.14 C ATOM 527 C ASP A 33 74.197 -1.726 -11.949 1.00 0.13 C ATOM 528 O ASP A 33 73.788 -2.318 -10.968 1.00 0.14 O ATOM 529 CB ASP A 33 72.469 -0.204 -12.945 1.00 0.13 C ATOM 530 CG ASP A 33 71.649 0.108 -14.201 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.041 -0.319 -15.276 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.643 0.778 -14.063 1.00 1.07 O ATOM 0 H ASP A 33 71.334 -2.351 -12.923 1.00 0.15 H new ATOM 0 HA ASP A 33 73.914 -1.425 -14.034 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.805 -0.318 -12.088 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.137 0.628 -12.722 1.00 0.13 H new ATOM 537 N PHE A 34 75.389 -1.175 -11.973 1.00 0.12 N ATOM 538 CA PHE A 34 76.280 -1.263 -10.781 1.00 0.11 C ATOM 539 C PHE A 34 76.432 0.120 -10.156 1.00 0.10 C ATOM 540 O PHE A 34 76.665 1.090 -10.850 1.00 0.11 O ATOM 541 CB PHE A 34 77.624 -1.758 -11.314 1.00 0.12 C ATOM 542 CG PHE A 34 77.502 -3.203 -11.730 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.070 -3.535 -13.058 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.821 -4.245 -10.797 1.00 0.16 C ATOM 545 CE1 PHE A 34 76.957 -4.911 -13.451 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.707 -5.620 -11.190 1.00 0.20 C ATOM 547 CZ PHE A 34 77.275 -5.954 -12.518 1.00 0.21 C ATOM 0 H PHE A 34 75.779 -0.669 -12.768 1.00 0.12 H new ATOM 0 HA PHE A 34 75.884 -1.929 -10.014 1.00 0.11 H new ATOM 0 HB2 PHE A 34 77.936 -1.150 -12.163 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.392 -1.653 -10.547 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.830 -2.751 -13.761 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.147 -3.994 -9.798 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.632 -5.162 -14.450 1.00 0.20 H new ATOM 0 HE2 PHE A 34 77.946 -6.404 -10.487 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.189 -6.989 -12.814 1.00 0.21 H new ATOM 557 N VAL A 35 76.407 0.197 -8.852 1.00 0.09 N ATOM 558 CA VAL A 35 76.668 1.499 -8.172 1.00 0.09 C ATOM 559 C VAL A 35 77.721 1.300 -7.082 1.00 0.10 C ATOM 560 O VAL A 35 77.886 0.211 -6.566 1.00 0.10 O ATOM 561 CB VAL A 35 75.318 1.940 -7.589 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.308 2.120 -8.726 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.791 0.884 -6.613 1.00 0.15 C ATOM 0 H VAL A 35 76.217 -0.587 -8.228 1.00 0.09 H new ATOM 0 HA VAL A 35 77.056 2.260 -8.849 1.00 0.09 H new ATOM 0 HB VAL A 35 75.454 2.882 -7.057 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.349 2.433 -8.314 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.671 2.880 -9.418 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.184 1.175 -9.256 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.833 1.210 -6.207 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.660 -0.063 -7.137 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.504 0.753 -5.799 1.00 0.15 H new ATOM 573 N GLU A 36 78.430 2.343 -6.732 1.00 0.12 N ATOM 574 CA GLU A 36 79.476 2.226 -5.675 1.00 0.13 C ATOM 575 C GLU A 36 79.065 3.096 -4.504 1.00 0.13 C ATOM 576 O GLU A 36 78.655 4.223 -4.700 1.00 0.13 O ATOM 577 CB GLU A 36 80.762 2.745 -6.317 1.00 0.14 C ATOM 578 CG GLU A 36 81.937 2.540 -5.351 1.00 0.15 C ATOM 579 CD GLU A 36 83.232 3.141 -5.929 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.178 3.752 -6.988 1.00 1.03 O ATOM 581 OE2 GLU A 36 84.261 2.977 -5.296 1.00 1.09 O ATOM 0 H GLU A 36 78.328 3.274 -7.136 1.00 0.12 H new ATOM 0 HA GLU A 36 79.610 1.208 -5.310 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.951 2.219 -7.253 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.658 3.802 -6.561 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.711 3.006 -4.392 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.077 1.476 -5.163 1.00 0.15 H new ATOM 588 N ILE A 37 78.940 2.507 -3.344 1.00 0.12 N ATOM 589 CA ILE A 37 78.272 3.223 -2.225 1.00 0.11 C ATOM 590 C ILE A 37 79.009 2.981 -0.902 1.00 0.11 C ATOM 591 O ILE A 37 79.707 1.997 -0.745 1.00 0.12 O ATOM 592 CB ILE A 37 76.856 2.634 -2.201 1.00 0.12 C ATOM 593 CG1 ILE A 37 76.024 3.327 -1.121 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.910 1.128 -1.919 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.530 3.186 -1.448 1.00 0.14 C ATOM 0 H ILE A 37 79.270 1.567 -3.126 1.00 0.12 H new ATOM 0 HA ILE A 37 78.265 4.305 -2.358 1.00 0.11 H new ATOM 0 HB ILE A 37 76.394 2.796 -3.175 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.236 2.887 -0.147 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.295 4.381 -1.060 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.898 0.724 -1.905 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.488 0.632 -2.699 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.383 0.956 -0.952 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.940 3.681 -0.676 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.324 3.647 -2.414 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.264 2.130 -1.486 1.00 0.14 H new ATOM 607 N LYS A 38 78.824 3.856 0.053 1.00 0.12 N ATOM 608 CA LYS A 38 79.471 3.674 1.386 1.00 0.13 C ATOM 609 C LYS A 38 78.458 3.903 2.509 1.00 0.13 C ATOM 610 O LYS A 38 77.589 4.745 2.405 1.00 0.14 O ATOM 611 CB LYS A 38 80.573 4.731 1.442 1.00 0.13 C ATOM 612 CG LYS A 38 81.511 4.405 2.601 1.00 0.18 C ATOM 613 CD LYS A 38 82.646 5.429 2.646 1.00 0.25 C ATOM 614 CE LYS A 38 83.665 5.016 3.710 1.00 1.03 C ATOM 615 NZ LYS A 38 84.991 5.357 3.126 1.00 1.11 N ATOM 0 H LYS A 38 78.249 4.694 -0.035 1.00 0.12 H new ATOM 0 HA LYS A 38 79.863 2.665 1.514 1.00 0.13 H new ATOM 0 HB2 LYS A 38 81.126 4.749 0.503 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.139 5.722 1.576 1.00 0.13 H new ATOM 0 HG2 LYS A 38 80.960 4.416 3.542 1.00 0.18 H new ATOM 0 HG3 LYS A 38 81.918 3.401 2.481 1.00 0.18 H new ATOM 0 HD2 LYS A 38 83.129 5.495 1.671 1.00 0.25 H new ATOM 0 HD3 LYS A 38 82.249 6.418 2.873 1.00 0.25 H new ATOM 0 HE2 LYS A 38 83.497 5.549 4.646 1.00 1.03 H new ATOM 0 HE3 LYS A 38 83.594 3.951 3.933 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 85.721 5.296 3.864 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 85.215 4.690 2.360 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 84.964 6.324 2.745 1.00 1.11 H new ATOM 629 N ILE A 39 78.585 3.176 3.592 1.00 0.14 N ATOM 630 CA ILE A 39 77.650 3.363 4.750 1.00 0.14 C ATOM 631 C ILE A 39 78.405 3.886 5.972 1.00 0.13 C ATOM 632 O ILE A 39 79.560 3.566 6.180 1.00 0.13 O ATOM 633 CB ILE A 39 77.065 1.977 5.052 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.198 0.972 5.313 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.214 1.506 3.873 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.625 -0.298 5.940 1.00 0.20 C ATOM 0 H ILE A 39 79.297 2.458 3.726 1.00 0.14 H new ATOM 0 HA ILE A 39 76.872 4.088 4.513 1.00 0.14 H new ATOM 0 HB ILE A 39 76.439 2.043 5.942 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.706 0.731 4.379 1.00 0.16 H new ATOM 0 HG13 ILE A 39 78.943 1.413 5.976 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.801 0.521 4.093 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.400 2.212 3.707 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.833 1.448 2.978 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.431 -1.009 6.124 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.138 -0.050 6.883 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.897 -0.742 5.261 1.00 0.20 H new ATOM 648 N VAL A 40 77.728 4.623 6.816 1.00 0.13 N ATOM 649 CA VAL A 40 78.358 5.106 8.081 1.00 0.12 C ATOM 650 C VAL A 40 77.356 4.988 9.236 1.00 0.16 C ATOM 651 O VAL A 40 76.264 5.523 9.180 1.00 0.20 O ATOM 652 CB VAL A 40 78.713 6.576 7.823 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.387 7.171 9.065 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.679 6.673 6.637 1.00 0.16 C ATOM 0 H VAL A 40 76.759 4.912 6.681 1.00 0.13 H new ATOM 0 HA VAL A 40 79.238 4.524 8.354 1.00 0.12 H new ATOM 0 HB VAL A 40 77.800 7.128 7.600 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.638 8.215 8.878 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.706 7.108 9.914 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.297 6.614 9.287 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.929 7.718 6.456 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.588 6.116 6.862 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.207 6.254 5.748 1.00 0.16 H new ATOM 664 N LYS A 41 77.761 4.357 10.308 1.00 0.17 N ATOM 665 CA LYS A 41 76.889 4.269 11.517 1.00 0.22 C ATOM 666 C LYS A 41 77.727 4.497 12.771 1.00 0.21 C ATOM 667 O LYS A 41 78.902 4.187 12.803 1.00 0.22 O ATOM 668 CB LYS A 41 76.306 2.853 11.497 1.00 0.28 C ATOM 669 CG LYS A 41 75.395 2.640 12.716 1.00 0.54 C ATOM 670 CD LYS A 41 74.207 3.604 12.656 1.00 1.11 C ATOM 671 CE LYS A 41 73.145 3.169 13.668 1.00 1.50 C ATOM 672 NZ LYS A 41 72.456 4.428 14.067 1.00 1.98 N ATOM 0 H LYS A 41 78.666 3.895 10.398 1.00 0.17 H new ATOM 0 HA LYS A 41 76.099 5.020 11.518 1.00 0.22 H new ATOM 0 HB2 LYS A 41 75.740 2.697 10.579 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.112 2.119 11.503 1.00 0.28 H new ATOM 0 HG2 LYS A 41 75.038 1.610 12.738 1.00 0.54 H new ATOM 0 HG3 LYS A 41 75.959 2.801 13.635 1.00 0.54 H new ATOM 0 HD2 LYS A 41 74.538 4.620 12.874 1.00 1.11 H new ATOM 0 HD3 LYS A 41 73.784 3.615 11.651 1.00 1.11 H new ATOM 0 HE2 LYS A 41 72.446 2.459 13.226 1.00 1.50 H new ATOM 0 HE3 LYS A 41 73.598 2.677 14.529 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 71.872 4.252 14.910 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 73.165 5.158 14.283 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 71.850 4.754 13.288 1.00 1.98 H new ATOM 686 N TYR A 42 77.143 5.092 13.775 1.00 0.20 N ATOM 687 CA TYR A 42 77.917 5.416 15.013 1.00 0.20 C ATOM 688 C TYR A 42 77.606 4.402 16.117 1.00 0.27 C ATOM 689 O TYR A 42 76.458 4.179 16.456 1.00 0.33 O ATOM 690 CB TYR A 42 77.451 6.815 15.417 1.00 0.22 C ATOM 691 CG TYR A 42 78.382 7.369 16.467 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.637 7.945 16.075 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.016 7.323 17.853 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.526 8.474 17.069 1.00 0.28 C ATOM 695 CE2 TYR A 42 78.905 7.853 18.849 1.00 0.25 C ATOM 696 CZ TYR A 42 80.160 8.428 18.456 1.00 0.28 C ATOM 697 OH TYR A 42 81.015 8.937 19.413 1.00 0.33 O ATOM 0 H TYR A 42 76.162 5.369 13.794 1.00 0.20 H new ATOM 0 HA TYR A 42 78.994 5.378 14.848 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.435 7.471 14.546 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.433 6.774 15.803 1.00 0.22 H new ATOM 0 HD1 TYR A 42 79.912 7.980 15.031 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.072 6.890 18.148 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.470 8.907 16.774 1.00 0.28 H new ATOM 0 HE2 TYR A 42 78.629 7.819 19.893 1.00 0.25 H new ATOM 0 HH TYR A 42 80.615 8.828 20.301 1.00 0.33 H new ATOM 759 N PRO A 47 82.690 6.201 15.475 1.00 0.25 N ATOM 760 CA PRO A 47 81.938 5.968 14.218 1.00 0.21 C ATOM 761 C PRO A 47 82.614 4.860 13.400 1.00 0.27 C ATOM 762 O PRO A 47 83.818 4.870 13.216 1.00 0.34 O ATOM 763 CB PRO A 47 81.999 7.310 13.475 1.00 0.24 C ATOM 764 CG PRO A 47 82.745 8.258 14.369 1.00 0.33 C ATOM 765 CD PRO A 47 83.470 7.442 15.402 1.00 0.31 C ATOM 0 HA PRO A 47 80.911 5.647 14.394 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.506 7.200 12.516 1.00 0.24 H new ATOM 0 HB3 PRO A 47 80.997 7.683 13.264 1.00 0.24 H new ATOM 0 HG2 PRO A 47 83.450 8.854 13.790 1.00 0.33 H new ATOM 0 HG3 PRO A 47 82.056 8.954 14.847 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.502 7.250 15.108 1.00 0.31 H new ATOM 0 HD3 PRO A 47 83.502 7.952 16.365 1.00 0.31 H new ATOM 773 N LYS A 48 81.836 3.988 12.802 1.00 0.26 N ATOM 774 CA LYS A 48 82.414 2.973 11.868 1.00 0.35 C ATOM 775 C LYS A 48 81.836 3.153 10.466 1.00 0.28 C ATOM 776 O LYS A 48 80.737 3.645 10.300 1.00 0.24 O ATOM 777 CB LYS A 48 82.020 1.613 12.433 1.00 0.45 C ATOM 778 CG LYS A 48 82.735 1.390 13.762 1.00 0.60 C ATOM 779 CD LYS A 48 82.924 -0.108 13.979 1.00 0.47 C ATOM 780 CE LYS A 48 83.608 -0.352 15.327 1.00 0.48 C ATOM 781 NZ LYS A 48 82.536 -0.157 16.342 1.00 1.10 N ATOM 0 H LYS A 48 80.824 3.937 12.922 1.00 0.26 H new ATOM 0 HA LYS A 48 83.496 3.074 11.787 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.940 1.565 12.576 1.00 0.45 H new ATOM 0 HB3 LYS A 48 82.284 0.824 11.729 1.00 0.45 H new ATOM 0 HG2 LYS A 48 83.701 1.895 13.759 1.00 0.60 H new ATOM 0 HG3 LYS A 48 82.154 1.818 14.579 1.00 0.60 H new ATOM 0 HD2 LYS A 48 81.959 -0.614 13.953 1.00 0.47 H new ATOM 0 HD3 LYS A 48 83.526 -0.529 13.173 1.00 0.47 H new ATOM 0 HE2 LYS A 48 84.026 -1.357 15.382 1.00 0.48 H new ATOM 0 HE3 LYS A 48 84.432 0.344 15.484 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 82.840 0.556 17.035 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 81.667 0.166 15.871 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 82.351 -1.057 16.829 1.00 1.10 H new ATOM 795 N GLU A 49 82.588 2.783 9.462 1.00 0.26 N ATOM 796 CA GLU A 49 82.112 2.959 8.055 1.00 0.20 C ATOM 797 C GLU A 49 82.496 1.749 7.197 1.00 0.19 C ATOM 798 O GLU A 49 83.291 0.919 7.597 1.00 0.21 O ATOM 799 CB GLU A 49 82.804 4.234 7.553 1.00 0.25 C ATOM 800 CG GLU A 49 84.329 4.068 7.618 1.00 0.80 C ATOM 801 CD GLU A 49 85.021 5.391 7.261 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.415 6.199 6.574 1.00 0.96 O ATOM 803 OE2 GLU A 49 86.151 5.574 7.686 1.00 1.42 O ATOM 0 H GLU A 49 83.514 2.365 9.555 1.00 0.26 H new ATOM 0 HA GLU A 49 81.027 3.041 7.998 1.00 0.20 H new ATOM 0 HB2 GLU A 49 82.497 4.444 6.529 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.497 5.086 8.159 1.00 0.25 H new ATOM 0 HG2 GLU A 49 84.626 3.752 8.618 1.00 0.80 H new ATOM 0 HG3 GLU A 49 84.647 3.285 6.929 1.00 0.80 H new ATOM 810 N GLY A 50 81.955 1.670 6.008 1.00 0.16 N ATOM 811 CA GLY A 50 82.296 0.547 5.088 1.00 0.16 C ATOM 812 C GLY A 50 81.980 0.954 3.651 1.00 0.15 C ATOM 813 O GLY A 50 80.936 1.511 3.378 1.00 0.17 O ATOM 0 H GLY A 50 81.286 2.342 5.633 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.352 0.293 5.182 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.729 -0.344 5.358 1.00 0.16 H new ATOM 817 N THR A 51 82.867 0.665 2.729 1.00 0.14 N ATOM 818 CA THR A 51 82.614 1.019 1.297 1.00 0.14 C ATOM 819 C THR A 51 82.682 -0.240 0.431 1.00 0.13 C ATOM 820 O THR A 51 83.591 -1.039 0.569 1.00 0.15 O ATOM 821 CB THR A 51 83.739 1.982 0.906 1.00 0.16 C ATOM 822 OG1 THR A 51 84.025 2.857 1.988 1.00 0.18 O ATOM 823 CG2 THR A 51 83.307 2.804 -0.311 1.00 0.21 C ATOM 0 H THR A 51 83.756 0.199 2.907 1.00 0.14 H new ATOM 0 HA THR A 51 81.630 1.466 1.156 1.00 0.14 H new ATOM 0 HB THR A 51 84.633 1.407 0.663 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.959 2.743 2.263 1.00 0.18 H new ATOM 0 HG21 THR A 51 84.107 3.490 -0.590 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.095 2.135 -1.145 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.410 3.373 -0.066 1.00 0.21 H new ATOM 831 N PHE A 52 81.771 -0.386 -0.503 1.00 0.12 N ATOM 832 CA PHE A 52 81.835 -1.559 -1.431 1.00 0.13 C ATOM 833 C PHE A 52 81.100 -1.256 -2.752 1.00 0.11 C ATOM 834 O PHE A 52 80.367 -0.288 -2.856 1.00 0.10 O ATOM 835 CB PHE A 52 81.193 -2.729 -0.646 1.00 0.14 C ATOM 836 CG PHE A 52 79.681 -2.598 -0.577 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.073 -1.612 0.269 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.861 -3.462 -1.376 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.642 -1.492 0.315 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.434 -3.342 -1.332 1.00 0.14 C ATOM 841 CZ PHE A 52 76.823 -2.359 -0.487 1.00 0.15 C ATOM 0 H PHE A 52 80.991 0.252 -0.662 1.00 0.12 H new ATOM 0 HA PHE A 52 82.855 -1.804 -1.726 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.455 -3.674 -1.123 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.602 -2.757 0.364 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.690 -0.961 0.870 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.320 -4.204 -2.012 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.182 -0.751 0.952 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.819 -3.993 -1.936 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.747 -2.270 -0.453 1.00 0.15 H new ATOM 851 N THR A 53 81.200 -2.149 -3.706 1.00 0.12 N ATOM 852 CA THR A 53 80.409 -2.006 -4.966 1.00 0.11 C ATOM 853 C THR A 53 79.278 -3.035 -4.978 1.00 0.11 C ATOM 854 O THR A 53 79.434 -4.139 -4.485 1.00 0.12 O ATOM 855 CB THR A 53 81.401 -2.285 -6.097 1.00 0.11 C ATOM 856 OG1 THR A 53 82.505 -1.397 -5.987 1.00 0.13 O ATOM 857 CG2 THR A 53 80.709 -2.081 -7.447 1.00 0.11 C ATOM 0 H THR A 53 81.798 -2.974 -3.665 1.00 0.12 H new ATOM 0 HA THR A 53 79.955 -1.020 -5.066 1.00 0.11 H new ATOM 0 HB THR A 53 81.755 -3.313 -6.026 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.142 -1.576 -6.710 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.416 -2.280 -8.252 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.864 -2.764 -7.529 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.354 -1.053 -7.522 1.00 0.11 H new ATOM 865 N ALA A 54 78.121 -2.655 -5.463 1.00 0.11 N ATOM 866 CA ALA A 54 76.946 -3.579 -5.422 1.00 0.13 C ATOM 867 C ALA A 54 76.118 -3.457 -6.701 1.00 0.13 C ATOM 868 O ALA A 54 75.936 -2.378 -7.230 1.00 0.11 O ATOM 869 CB ALA A 54 76.130 -3.127 -4.207 1.00 0.14 C ATOM 0 H ALA A 54 77.940 -1.744 -5.886 1.00 0.11 H new ATOM 0 HA ALA A 54 77.250 -4.623 -5.347 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.247 -3.758 -4.107 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.740 -3.211 -3.307 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.822 -2.090 -4.341 1.00 0.14 H new ATOM 875 N ARG A 55 75.549 -4.550 -7.146 1.00 0.15 N ATOM 876 CA ARG A 55 74.644 -4.505 -8.331 1.00 0.15 C ATOM 877 C ARG A 55 73.197 -4.349 -7.866 1.00 0.15 C ATOM 878 O ARG A 55 72.814 -4.856 -6.827 1.00 0.16 O ATOM 879 CB ARG A 55 74.834 -5.846 -9.038 1.00 0.19 C ATOM 880 CG ARG A 55 74.208 -5.778 -10.433 1.00 0.27 C ATOM 881 CD ARG A 55 74.241 -7.166 -11.078 1.00 0.45 C ATOM 882 NE ARG A 55 73.872 -6.941 -12.512 1.00 0.90 N ATOM 883 CZ ARG A 55 73.400 -7.916 -13.270 1.00 1.48 C ATOM 884 NH1 ARG A 55 73.233 -9.138 -12.812 1.00 1.67 N ATOM 885 NH2 ARG A 55 73.092 -7.659 -14.512 1.00 2.21 N ATOM 0 H ARG A 55 75.675 -5.475 -6.736 1.00 0.15 H new ATOM 0 HA ARG A 55 74.868 -3.668 -8.992 1.00 0.15 H new ATOM 0 HB2 ARG A 55 75.895 -6.082 -9.115 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.371 -6.644 -8.458 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.180 -5.422 -10.365 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.752 -5.065 -11.052 1.00 0.27 H new ATOM 0 HD2 ARG A 55 75.230 -7.617 -10.992 1.00 0.45 H new ATOM 0 HD3 ARG A 55 73.538 -7.843 -10.592 1.00 0.45 H new ATOM 0 HE ARG A 55 73.988 -6.011 -12.914 1.00 0.90 H new ATOM 0 HH11 ARG A 55 73.470 -9.357 -11.844 1.00 1.67 H new ATOM 0 HH12 ARG A 55 72.866 -9.867 -13.425 1.00 1.67 H new ATOM 0 HH21 ARG A 55 73.217 -6.717 -14.884 1.00 2.21 H new ATOM 0 HH22 ARG A 55 72.727 -8.400 -15.111 1.00 2.21 H new ATOM 899 N VAL A 56 72.397 -3.645 -8.625 1.00 0.14 N ATOM 900 CA VAL A 56 70.970 -3.439 -8.232 1.00 0.14 C ATOM 901 C VAL A 56 70.151 -4.683 -8.574 1.00 0.15 C ATOM 902 O VAL A 56 70.117 -5.124 -9.709 1.00 0.17 O ATOM 903 CB VAL A 56 70.500 -2.228 -9.047 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.008 -1.947 -8.783 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.331 -1.009 -8.642 1.00 0.17 C ATOM 0 H VAL A 56 72.671 -3.203 -9.502 1.00 0.14 H new ATOM 0 HA VAL A 56 70.852 -3.269 -7.162 1.00 0.14 H new ATOM 0 HB VAL A 56 70.630 -2.436 -10.109 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.691 -1.084 -9.369 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.418 -2.817 -9.069 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.859 -1.740 -7.723 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.006 -0.141 -9.215 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.195 -0.813 -7.578 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.384 -1.203 -8.844 1.00 0.17 H new ATOM 915 N GLY A 57 69.468 -5.217 -7.599 1.00 0.16 N ATOM 916 CA GLY A 57 68.607 -6.409 -7.840 1.00 0.19 C ATOM 917 C GLY A 57 67.139 -5.988 -7.901 1.00 0.18 C ATOM 918 O GLY A 57 66.812 -4.816 -7.996 1.00 0.16 O ATOM 0 H GLY A 57 69.470 -4.876 -6.638 1.00 0.16 H new ATOM 0 HA2 GLY A 57 68.894 -6.893 -8.773 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.752 -7.140 -7.044 1.00 0.19 H new ATOM 922 N GLU A 58 66.254 -6.947 -7.846 1.00 0.21 N ATOM 923 CA GLU A 58 64.794 -6.635 -7.908 1.00 0.22 C ATOM 924 C GLU A 58 64.391 -5.758 -6.718 1.00 0.22 C ATOM 925 O GLU A 58 65.013 -5.786 -5.674 1.00 0.24 O ATOM 926 CB GLU A 58 64.086 -7.993 -7.841 1.00 0.27 C ATOM 927 CG GLU A 58 62.579 -7.801 -8.056 1.00 0.81 C ATOM 928 CD GLU A 58 61.831 -9.141 -7.919 1.00 0.80 C ATOM 929 OE1 GLU A 58 62.461 -10.138 -7.593 1.00 1.39 O ATOM 930 OE2 GLU A 58 60.633 -9.144 -8.144 1.00 1.28 O ATOM 0 H GLU A 58 66.479 -7.938 -7.760 1.00 0.21 H new ATOM 0 HA GLU A 58 64.529 -6.087 -8.812 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.489 -8.662 -8.601 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.268 -8.462 -6.874 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.192 -7.087 -7.329 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.399 -7.379 -9.045 1.00 0.81 H new ATOM 937 N GLN A 59 63.359 -4.969 -6.882 1.00 0.25 N ATOM 938 CA GLN A 59 62.889 -4.064 -5.781 1.00 0.30 C ATOM 939 C GLN A 59 64.022 -3.180 -5.236 1.00 0.23 C ATOM 940 O GLN A 59 63.870 -2.576 -4.189 1.00 0.23 O ATOM 941 CB GLN A 59 62.361 -4.994 -4.684 1.00 0.37 C ATOM 942 CG GLN A 59 61.001 -5.555 -5.101 1.00 0.46 C ATOM 943 CD GLN A 59 60.504 -6.537 -4.040 1.00 0.56 C ATOM 944 OE1 GLN A 59 59.983 -6.135 -3.019 1.00 0.82 O ATOM 945 NE2 GLN A 59 60.645 -7.818 -4.242 1.00 0.81 N ATOM 0 H GLN A 59 62.813 -4.911 -7.742 1.00 0.25 H new ATOM 0 HA GLN A 59 62.125 -3.377 -6.146 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.065 -5.808 -4.513 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.269 -4.450 -3.744 1.00 0.37 H new ATOM 0 HG2 GLN A 59 60.284 -4.743 -5.224 1.00 0.46 H new ATOM 0 HG3 GLN A 59 61.083 -6.057 -6.065 1.00 0.46 H new ATOM 0 HE21 GLN A 59 61.083 -8.154 -5.100 1.00 0.81 H new ATOM 0 HE22 GLN A 59 60.318 -8.484 -3.542 1.00 0.81 H new ATOM 954 N GLY A 60 65.080 -2.970 -5.997 1.00 0.19 N ATOM 955 CA GLY A 60 66.112 -1.967 -5.574 1.00 0.16 C ATOM 956 C GLY A 60 66.961 -2.512 -4.421 1.00 0.12 C ATOM 957 O GLY A 60 67.517 -1.747 -3.648 1.00 0.12 O ATOM 0 H GLY A 60 65.268 -3.445 -6.880 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.754 -1.721 -6.420 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.623 -1.043 -5.266 1.00 0.16 H new ATOM 961 N SER A 61 66.997 -3.811 -4.241 1.00 0.14 N ATOM 962 CA SER A 61 67.740 -4.389 -3.078 1.00 0.16 C ATOM 963 C SER A 61 69.246 -4.395 -3.358 1.00 0.15 C ATOM 964 O SER A 61 69.677 -4.672 -4.463 1.00 0.18 O ATOM 965 CB SER A 61 67.218 -5.821 -2.934 1.00 0.21 C ATOM 966 OG SER A 61 65.797 -5.802 -2.899 1.00 1.30 O ATOM 0 H SER A 61 66.545 -4.494 -4.848 1.00 0.14 H new ATOM 0 HA SER A 61 67.587 -3.808 -2.168 1.00 0.16 H new ATOM 0 HB2 SER A 61 67.565 -6.432 -3.767 1.00 0.21 H new ATOM 0 HB3 SER A 61 67.610 -6.273 -2.023 1.00 0.21 H new ATOM 0 HG SER A 61 65.447 -5.810 -3.814 1.00 1.30 H new ATOM 972 N VAL A 62 70.040 -4.171 -2.343 1.00 0.14 N ATOM 973 CA VAL A 62 71.525 -4.252 -2.499 1.00 0.15 C ATOM 974 C VAL A 62 72.136 -4.957 -1.278 1.00 0.14 C ATOM 975 O VAL A 62 71.591 -4.892 -0.191 1.00 0.14 O ATOM 976 CB VAL A 62 71.998 -2.795 -2.603 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.613 -2.021 -1.339 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.519 -2.762 -2.772 1.00 0.21 C ATOM 0 H VAL A 62 69.721 -3.933 -1.404 1.00 0.14 H new ATOM 0 HA VAL A 62 71.828 -4.826 -3.375 1.00 0.15 H new ATOM 0 HB VAL A 62 71.520 -2.330 -3.465 1.00 0.17 H new ATOM 0 HG11 VAL A 62 71.954 -0.989 -1.426 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.530 -2.036 -1.219 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.081 -2.486 -0.471 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.855 -1.728 -2.846 1.00 0.21 H new ATOM 0 HG22 VAL A 62 73.991 -3.236 -1.911 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.796 -3.299 -3.679 1.00 0.21 H new ATOM 988 N ILE A 63 73.201 -5.700 -1.468 1.00 0.16 N ATOM 989 CA ILE A 63 73.779 -6.497 -0.337 1.00 0.17 C ATOM 990 C ILE A 63 75.132 -5.921 0.099 1.00 0.16 C ATOM 991 O ILE A 63 76.086 -5.923 -0.658 1.00 0.19 O ATOM 992 CB ILE A 63 73.959 -7.921 -0.890 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.620 -8.469 -1.424 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.482 -8.840 0.219 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.564 -8.491 -0.310 1.00 0.34 C ATOM 0 H ILE A 63 73.695 -5.789 -2.356 1.00 0.16 H new ATOM 0 HA ILE A 63 73.131 -6.477 0.539 1.00 0.17 H new ATOM 0 HB ILE A 63 74.676 -7.888 -1.710 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.271 -7.851 -2.251 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.763 -9.476 -1.817 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.609 -9.849 -0.174 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.441 -8.467 0.578 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.768 -8.859 1.043 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.626 -8.881 -0.705 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.907 -9.129 0.504 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.408 -7.479 0.063 1.00 0.34 H new ATOM 1007 N ILE A 64 75.253 -5.571 1.358 1.00 0.15 N ATOM 1008 CA ILE A 64 76.584 -5.161 1.909 1.00 0.16 C ATOM 1009 C ILE A 64 77.436 -6.416 2.183 1.00 0.18 C ATOM 1010 O ILE A 64 76.902 -7.430 2.574 1.00 0.20 O ATOM 1011 CB ILE A 64 76.264 -4.422 3.215 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.397 -3.196 2.911 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.562 -3.964 3.886 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.745 -2.698 4.202 1.00 0.32 C ATOM 0 H ILE A 64 74.485 -5.552 2.029 1.00 0.15 H new ATOM 0 HA ILE A 64 77.150 -4.531 1.222 1.00 0.16 H new ATOM 0 HB ILE A 64 75.728 -5.097 3.883 1.00 0.19 H new ATOM 0 HG12 ILE A 64 76.007 -2.407 2.471 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.631 -3.452 2.179 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.327 -3.440 4.813 1.00 0.34 H new ATOM 0 HG22 ILE A 64 78.183 -4.832 4.107 1.00 0.34 H new ATOM 0 HG23 ILE A 64 78.101 -3.293 3.216 1.00 0.34 H new ATOM 0 HD11 ILE A 64 74.128 -1.826 3.985 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.122 -3.487 4.623 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.519 -2.426 4.919 1.00 0.32 H new ATOM 1026 N PRO A 65 78.733 -6.325 1.969 1.00 0.19 N ATOM 1027 CA PRO A 65 79.620 -7.505 2.198 1.00 0.23 C ATOM 1028 C PRO A 65 79.624 -7.904 3.679 1.00 0.26 C ATOM 1029 O PRO A 65 79.755 -7.072 4.558 1.00 0.23 O ATOM 1030 CB PRO A 65 80.991 -6.997 1.756 1.00 0.26 C ATOM 1031 CG PRO A 65 80.897 -5.524 1.956 1.00 0.24 C ATOM 1032 CD PRO A 65 79.512 -5.158 1.515 1.00 0.21 C ATOM 0 HA PRO A 65 79.303 -8.397 1.657 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.792 -7.433 2.353 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.196 -7.249 0.715 1.00 0.26 H new ATOM 0 HG2 PRO A 65 81.062 -5.256 3.000 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.650 -4.998 1.369 1.00 0.24 H new ATOM 0 HD2 PRO A 65 79.167 -4.232 1.976 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.450 -5.020 0.436 1.00 0.21 H new ATOM 1040 N LYS A 66 79.487 -9.178 3.957 1.00 0.41 N ATOM 1041 CA LYS A 66 79.481 -9.660 5.380 1.00 0.51 C ATOM 1042 C LYS A 66 80.745 -9.200 6.115 1.00 0.44 C ATOM 1043 O LYS A 66 80.721 -8.936 7.303 1.00 0.42 O ATOM 1044 CB LYS A 66 79.447 -11.188 5.292 1.00 0.69 C ATOM 1045 CG LYS A 66 79.303 -11.778 6.697 1.00 0.96 C ATOM 1046 CD LYS A 66 79.331 -13.306 6.615 1.00 1.31 C ATOM 1047 CE LYS A 66 79.025 -13.897 7.994 1.00 1.89 C ATOM 1048 NZ LYS A 66 79.439 -15.324 7.901 1.00 2.62 N ATOM 0 H LYS A 66 79.378 -9.912 3.257 1.00 0.41 H new ATOM 0 HA LYS A 66 78.631 -9.262 5.934 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.615 -11.508 4.665 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.360 -11.556 4.823 1.00 0.69 H new ATOM 0 HG2 LYS A 66 80.111 -11.423 7.337 1.00 0.96 H new ATOM 0 HG3 LYS A 66 78.369 -11.445 7.149 1.00 0.96 H new ATOM 0 HD2 LYS A 66 78.599 -13.655 5.887 1.00 1.31 H new ATOM 0 HD3 LYS A 66 80.308 -13.645 6.271 1.00 1.31 H new ATOM 0 HE2 LYS A 66 79.575 -13.376 8.778 1.00 1.89 H new ATOM 0 HE3 LYS A 66 77.966 -13.808 8.236 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 79.260 -15.797 8.810 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 78.894 -15.796 7.151 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 80.453 -15.377 7.677 1.00 2.62 H new ATOM 1062 N ALA A 67 81.849 -9.130 5.415 1.00 0.43 N ATOM 1063 CA ALA A 67 83.138 -8.721 6.066 1.00 0.40 C ATOM 1064 C ALA A 67 83.001 -7.326 6.685 1.00 0.30 C ATOM 1065 O ALA A 67 83.506 -7.061 7.763 1.00 0.28 O ATOM 1066 CB ALA A 67 84.175 -8.704 4.940 1.00 0.45 C ATOM 0 H ALA A 67 81.917 -9.338 4.419 1.00 0.43 H new ATOM 0 HA ALA A 67 83.422 -9.402 6.869 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.145 -8.413 5.343 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.249 -9.698 4.499 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.870 -7.989 4.175 1.00 0.45 H new ATOM 1072 N LEU A 68 82.293 -6.447 6.019 1.00 0.27 N ATOM 1073 CA LEU A 68 82.093 -5.073 6.569 1.00 0.23 C ATOM 1074 C LEU A 68 81.042 -5.086 7.680 1.00 0.22 C ATOM 1075 O LEU A 68 81.146 -4.337 8.634 1.00 0.22 O ATOM 1076 CB LEU A 68 81.631 -4.210 5.387 1.00 0.28 C ATOM 1077 CG LEU A 68 82.782 -4.024 4.383 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.303 -3.160 3.215 1.00 1.24 C ATOM 1079 CD2 LEU A 68 83.967 -3.324 5.062 1.00 1.82 C ATOM 0 H LEU A 68 81.846 -6.623 5.119 1.00 0.27 H new ATOM 0 HA LEU A 68 83.009 -4.680 7.011 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.781 -4.681 4.894 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.292 -3.239 5.747 1.00 0.28 H new ATOM 0 HG LEU A 68 83.097 -5.003 4.022 1.00 0.99 H new ATOM 0 HD11 LEU A 68 83.117 -3.027 2.503 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.464 -3.650 2.720 1.00 1.24 H new ATOM 0 HD13 LEU A 68 81.986 -2.187 3.589 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.776 -3.198 4.342 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.651 -2.347 5.428 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.317 -3.929 5.898 1.00 1.82 H new ATOM 1091 N ARG A 69 80.052 -5.950 7.592 1.00 0.25 N ATOM 1092 CA ARG A 69 79.017 -6.021 8.682 1.00 0.28 C ATOM 1093 C ARG A 69 79.695 -6.321 10.021 1.00 0.25 C ATOM 1094 O ARG A 69 79.356 -5.753 11.042 1.00 0.26 O ATOM 1095 CB ARG A 69 78.106 -7.210 8.344 1.00 0.35 C ATOM 1096 CG ARG A 69 77.489 -7.090 6.948 1.00 0.46 C ATOM 1097 CD ARG A 69 76.425 -8.189 6.809 1.00 0.56 C ATOM 1098 NE ARG A 69 76.388 -8.549 5.355 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.981 -9.742 4.946 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.541 -10.657 5.784 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.998 -10.015 3.670 1.00 2.30 N ATOM 0 H ARG A 69 79.916 -6.603 6.821 1.00 0.25 H new ATOM 0 HA ARG A 69 78.470 -5.081 8.753 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.680 -8.134 8.407 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.310 -7.278 9.086 1.00 0.35 H new ATOM 0 HG2 ARG A 69 77.041 -6.106 6.811 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.255 -7.201 6.181 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.678 -9.056 7.419 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.452 -7.834 7.148 1.00 0.56 H new ATOM 0 HE ARG A 69 76.683 -7.860 4.664 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.505 -10.458 6.784 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.236 -11.565 5.433 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.322 -9.315 3.003 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.688 -10.929 3.340 1.00 2.30 H new ATOM 1115 N ASP A 70 80.583 -7.283 10.022 1.00 0.25 N ATOM 1116 CA ASP A 70 81.223 -7.725 11.299 1.00 0.25 C ATOM 1117 C ASP A 70 82.167 -6.645 11.823 1.00 0.22 C ATOM 1118 O ASP A 70 82.149 -6.314 12.993 1.00 0.22 O ATOM 1119 CB ASP A 70 82.005 -8.995 10.949 1.00 0.27 C ATOM 1120 CG ASP A 70 81.039 -10.093 10.488 1.00 0.91 C ATOM 1121 OD1 ASP A 70 79.903 -10.090 10.938 1.00 1.56 O ATOM 1122 OD2 ASP A 70 81.454 -10.922 9.696 1.00 1.68 O ATOM 0 H ASP A 70 80.894 -7.784 9.189 1.00 0.25 H new ATOM 0 HA ASP A 70 80.484 -7.908 12.079 1.00 0.25 H new ATOM 0 HB2 ASP A 70 82.729 -8.782 10.162 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.569 -9.336 11.817 1.00 0.27 H new ATOM 1127 N VAL A 71 82.994 -6.098 10.965 1.00 0.21 N ATOM 1128 CA VAL A 71 83.970 -5.052 11.418 1.00 0.21 C ATOM 1129 C VAL A 71 83.213 -3.847 11.992 1.00 0.21 C ATOM 1130 O VAL A 71 83.660 -3.217 12.933 1.00 0.22 O ATOM 1131 CB VAL A 71 84.750 -4.663 10.151 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.725 -3.521 10.455 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.535 -5.877 9.649 1.00 0.28 C ATOM 0 H VAL A 71 83.037 -6.329 9.972 1.00 0.21 H new ATOM 0 HA VAL A 71 84.636 -5.409 12.204 1.00 0.21 H new ATOM 0 HB VAL A 71 84.045 -4.333 9.388 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.270 -3.257 9.549 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.169 -2.653 10.810 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.430 -3.839 11.223 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.090 -5.606 8.751 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.232 -6.204 10.421 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.843 -6.687 9.418 1.00 0.28 H new ATOM 1143 N ILE A 72 82.115 -3.491 11.385 1.00 0.21 N ATOM 1144 CA ILE A 72 81.357 -2.283 11.833 1.00 0.22 C ATOM 1145 C ILE A 72 80.443 -2.614 13.028 1.00 0.22 C ATOM 1146 O ILE A 72 80.033 -1.723 13.751 1.00 0.23 O ATOM 1147 CB ILE A 72 80.531 -1.848 10.614 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.469 -1.538 9.442 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.731 -0.587 10.959 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.644 -1.262 8.185 1.00 0.28 C ATOM 0 H ILE A 72 81.706 -3.986 10.593 1.00 0.21 H new ATOM 0 HA ILE A 72 82.025 -1.492 12.173 1.00 0.22 H new ATOM 0 HB ILE A 72 79.850 -2.653 10.338 1.00 0.24 H new ATOM 0 HG12 ILE A 72 82.090 -0.674 9.679 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.143 -2.377 9.270 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.145 -0.279 10.093 1.00 0.27 H new ATOM 0 HG22 ILE A 72 79.062 -0.798 11.793 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.416 0.214 11.237 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.312 -1.042 7.352 1.00 0.28 H new ATOM 0 HD12 ILE A 72 80.042 -2.138 7.945 1.00 0.28 H new ATOM 0 HD13 ILE A 72 79.989 -0.409 8.360 1.00 0.28 H new ATOM 1162 N GLY A 73 80.173 -3.879 13.283 1.00 0.21 N ATOM 1163 CA GLY A 73 79.352 -4.244 14.481 1.00 0.21 C ATOM 1164 C GLY A 73 77.874 -3.946 14.210 1.00 0.20 C ATOM 1165 O GLY A 73 77.167 -3.462 15.076 1.00 0.22 O ATOM 0 H GLY A 73 80.485 -4.666 12.715 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.482 -5.301 14.714 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.692 -3.682 15.351 1.00 0.21 H new ATOM 1169 N ILE A 74 77.432 -4.134 12.990 1.00 0.20 N ATOM 1170 CA ILE A 74 76.028 -3.753 12.624 1.00 0.21 C ATOM 1171 C ILE A 74 75.073 -4.933 12.844 1.00 0.21 C ATOM 1172 O ILE A 74 75.423 -6.079 12.632 1.00 0.23 O ATOM 1173 CB ILE A 74 76.085 -3.369 11.137 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.095 -2.224 10.921 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.697 -2.922 10.665 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.695 -0.989 11.742 1.00 0.77 C ATOM 0 H ILE A 74 77.982 -4.535 12.230 1.00 0.20 H new ATOM 0 HA ILE A 74 75.657 -2.933 13.239 1.00 0.21 H new ATOM 0 HB ILE A 74 76.404 -4.238 10.561 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.093 -2.553 11.211 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.139 -1.965 9.863 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.741 -2.651 9.610 1.00 0.27 H new ATOM 0 HG22 ILE A 74 73.987 -3.738 10.800 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.375 -2.060 11.248 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.420 -0.192 11.576 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.706 -0.651 11.432 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.675 -1.247 12.801 1.00 0.77 H new ATOM 1188 N LYS A 75 73.877 -4.649 13.298 1.00 0.22 N ATOM 1189 CA LYS A 75 72.885 -5.734 13.575 1.00 0.24 C ATOM 1190 C LYS A 75 71.526 -5.411 12.915 1.00 0.24 C ATOM 1191 O LYS A 75 71.277 -4.275 12.556 1.00 0.23 O ATOM 1192 CB LYS A 75 72.759 -5.775 15.106 1.00 0.29 C ATOM 1193 CG LYS A 75 72.242 -4.426 15.641 1.00 1.19 C ATOM 1194 CD LYS A 75 73.177 -3.901 16.736 1.00 1.71 C ATOM 1195 CE LYS A 75 73.076 -4.802 17.969 1.00 2.52 C ATOM 1196 NZ LYS A 75 73.807 -4.068 19.041 1.00 3.21 N ATOM 0 H LYS A 75 73.543 -3.705 13.490 1.00 0.22 H new ATOM 0 HA LYS A 75 73.201 -6.695 13.169 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.078 -6.574 15.400 1.00 0.29 H new ATOM 0 HB3 LYS A 75 73.728 -6.002 15.551 1.00 0.29 H new ATOM 0 HG2 LYS A 75 72.180 -3.703 14.828 1.00 1.19 H new ATOM 0 HG3 LYS A 75 71.234 -4.546 16.039 1.00 1.19 H new ATOM 0 HD2 LYS A 75 74.204 -3.879 16.372 1.00 1.71 H new ATOM 0 HD3 LYS A 75 72.909 -2.877 16.998 1.00 1.71 H new ATOM 0 HE2 LYS A 75 72.037 -4.976 18.247 1.00 2.52 H new ATOM 0 HE3 LYS A 75 73.524 -5.778 17.783 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 73.782 -4.623 19.920 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 74.795 -3.923 18.751 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 73.354 -3.145 19.201 1.00 3.21 H new ATOM 1210 N PRO A 76 70.678 -6.415 12.765 1.00 0.25 N ATOM 1211 CA PRO A 76 69.351 -6.183 12.131 1.00 0.26 C ATOM 1212 C PRO A 76 68.549 -5.130 12.908 1.00 0.24 C ATOM 1213 O PRO A 76 68.444 -5.186 14.119 1.00 0.23 O ATOM 1214 CB PRO A 76 68.656 -7.546 12.192 1.00 0.29 C ATOM 1215 CG PRO A 76 69.454 -8.372 13.152 1.00 0.50 C ATOM 1216 CD PRO A 76 70.853 -7.823 13.155 1.00 0.28 C ATOM 0 HA PRO A 76 69.440 -5.806 11.112 1.00 0.26 H new ATOM 0 HB2 PRO A 76 67.624 -7.443 12.529 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.625 -8.013 11.207 1.00 0.29 H new ATOM 0 HG2 PRO A 76 69.021 -8.326 14.151 1.00 0.50 H new ATOM 0 HG3 PRO A 76 69.453 -9.420 12.851 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.315 -7.911 14.138 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.494 -8.356 12.452 1.00 0.28 H new ATOM 1224 N GLY A 77 67.933 -4.210 12.203 1.00 0.24 N ATOM 1225 CA GLY A 77 67.072 -3.186 12.873 1.00 0.24 C ATOM 1226 C GLY A 77 67.873 -1.911 13.202 1.00 0.22 C ATOM 1227 O GLY A 77 67.322 -0.960 13.727 1.00 0.24 O ATOM 0 H GLY A 77 67.991 -4.125 11.188 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.232 -2.934 12.226 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.654 -3.602 13.790 1.00 0.24 H new ATOM 1231 N GLU A 78 69.153 -1.866 12.884 1.00 0.20 N ATOM 1232 CA GLU A 78 69.961 -0.633 13.164 1.00 0.20 C ATOM 1233 C GLU A 78 69.997 0.257 11.922 1.00 0.18 C ATOM 1234 O GLU A 78 70.217 -0.221 10.824 1.00 0.18 O ATOM 1235 CB GLU A 78 71.369 -1.134 13.523 1.00 0.20 C ATOM 1236 CG GLU A 78 71.699 -0.765 14.977 1.00 0.22 C ATOM 1237 CD GLU A 78 73.164 -1.097 15.288 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.710 -1.969 14.632 1.00 1.07 O ATOM 1239 OE2 GLU A 78 73.714 -0.473 16.180 1.00 1.11 O ATOM 0 H GLU A 78 69.668 -2.629 12.444 1.00 0.20 H new ATOM 0 HA GLU A 78 69.538 -0.036 13.972 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.425 -2.215 13.391 1.00 0.20 H new ATOM 0 HB3 GLU A 78 72.104 -0.692 12.850 1.00 0.20 H new ATOM 0 HG2 GLU A 78 71.516 0.297 15.141 1.00 0.22 H new ATOM 0 HG3 GLU A 78 71.043 -1.310 15.656 1.00 0.22 H new ATOM 1246 N VAL A 79 69.703 1.525 12.079 1.00 0.19 N ATOM 1247 CA VAL A 79 69.616 2.431 10.894 1.00 0.18 C ATOM 1248 C VAL A 79 70.967 3.105 10.623 1.00 0.18 C ATOM 1249 O VAL A 79 71.560 3.710 11.492 1.00 0.19 O ATOM 1250 CB VAL A 79 68.543 3.466 11.263 1.00 0.20 C ATOM 1251 CG1 VAL A 79 68.972 4.268 12.506 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.324 4.417 10.079 1.00 0.21 C ATOM 0 H VAL A 79 69.520 1.971 12.978 1.00 0.19 H new ATOM 0 HA VAL A 79 69.360 1.891 9.982 1.00 0.18 H new ATOM 0 HB VAL A 79 67.613 2.946 11.491 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.200 4.997 12.753 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.112 3.589 13.347 1.00 0.24 H new ATOM 0 HG13 VAL A 79 69.908 4.787 12.299 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.563 5.152 10.339 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.258 4.928 9.846 1.00 0.21 H new ATOM 0 HG23 VAL A 79 67.996 3.847 9.210 1.00 0.21 H new ATOM 1262 N ILE A 80 71.414 3.042 9.397 1.00 0.17 N ATOM 1263 CA ILE A 80 72.686 3.712 9.001 1.00 0.17 C ATOM 1264 C ILE A 80 72.394 4.765 7.923 1.00 0.17 C ATOM 1265 O ILE A 80 71.426 4.655 7.191 1.00 0.17 O ATOM 1266 CB ILE A 80 73.586 2.588 8.448 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.921 1.937 7.230 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.815 1.528 9.529 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.879 0.927 6.594 1.00 0.18 C ATOM 0 H ILE A 80 70.943 2.546 8.641 1.00 0.17 H new ATOM 0 HA ILE A 80 73.167 4.227 9.833 1.00 0.17 H new ATOM 0 HB ILE A 80 74.543 3.016 8.150 1.00 0.17 H new ATOM 0 HG12 ILE A 80 71.999 1.438 7.531 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.647 2.701 6.502 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.451 0.736 9.133 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.300 1.986 10.391 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.857 1.106 9.833 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.401 0.467 5.729 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.789 1.438 6.278 1.00 0.18 H new ATOM 0 HD13 ILE A 80 74.130 0.156 7.322 1.00 0.18 H new ATOM 1281 N GLU A 81 73.279 5.712 7.757 1.00 0.18 N ATOM 1282 CA GLU A 81 73.130 6.702 6.652 1.00 0.18 C ATOM 1283 C GLU A 81 73.999 6.268 5.475 1.00 0.17 C ATOM 1284 O GLU A 81 75.104 5.789 5.662 1.00 0.19 O ATOM 1285 CB GLU A 81 73.626 8.027 7.231 1.00 0.20 C ATOM 1286 CG GLU A 81 73.425 9.143 6.201 1.00 0.21 C ATOM 1287 CD GLU A 81 74.014 10.454 6.734 1.00 0.23 C ATOM 1288 OE1 GLU A 81 74.972 10.393 7.488 1.00 1.04 O ATOM 1289 OE2 GLU A 81 73.500 11.499 6.372 1.00 1.14 O ATOM 0 H GLU A 81 74.103 5.842 8.343 1.00 0.18 H new ATOM 0 HA GLU A 81 72.104 6.786 6.292 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.084 8.261 8.147 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.680 7.948 7.496 1.00 0.20 H new ATOM 0 HG2 GLU A 81 73.906 8.873 5.261 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.363 9.270 5.991 1.00 0.21 H new ATOM 1296 N VAL A 82 73.438 6.265 4.296 1.00 0.16 N ATOM 1297 CA VAL A 82 74.143 5.669 3.124 1.00 0.17 C ATOM 1298 C VAL A 82 74.438 6.746 2.078 1.00 0.16 C ATOM 1299 O VAL A 82 73.566 7.493 1.675 1.00 0.17 O ATOM 1300 CB VAL A 82 73.170 4.616 2.578 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.768 3.945 1.342 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.919 3.552 3.650 1.00 0.19 C ATOM 0 H VAL A 82 72.516 6.652 4.093 1.00 0.16 H new ATOM 0 HA VAL A 82 75.104 5.230 3.391 1.00 0.17 H new ATOM 0 HB VAL A 82 72.233 5.103 2.309 1.00 0.18 H new ATOM 0 HG11 VAL A 82 73.071 3.199 0.960 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.952 4.696 0.574 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.707 3.461 1.609 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.228 2.803 3.264 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.862 3.074 3.915 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.489 4.021 4.535 1.00 0.19 H new ATOM 1312 N LEU A 83 75.664 6.809 1.635 1.00 0.16 N ATOM 1313 CA LEU A 83 76.060 7.815 0.602 1.00 0.17 C ATOM 1314 C LEU A 83 76.488 7.085 -0.674 1.00 0.15 C ATOM 1315 O LEU A 83 77.390 6.271 -0.636 1.00 0.12 O ATOM 1316 CB LEU A 83 77.278 8.559 1.184 1.00 0.21 C ATOM 1317 CG LEU A 83 77.002 9.057 2.610 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.250 9.757 3.150 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.827 10.032 2.594 1.00 0.20 C ATOM 0 H LEU A 83 76.420 6.199 1.948 1.00 0.16 H new ATOM 0 HA LEU A 83 75.241 8.493 0.363 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.143 7.895 1.190 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.529 9.405 0.544 1.00 0.21 H new ATOM 0 HG LEU A 83 76.754 8.212 3.252 1.00 0.20 H new ATOM 0 HD11 LEU A 83 78.058 10.112 4.163 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.084 9.055 3.163 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.498 10.603 2.509 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.633 10.384 3.607 1.00 0.20 H new ATOM 0 HD22 LEU A 83 76.068 10.881 1.954 1.00 0.20 H new ATOM 0 HD23 LEU A 83 74.941 9.527 2.209 1.00 0.20 H new ATOM 1331 N LEU A 84 75.964 7.470 -1.813 1.00 0.16 N ATOM 1332 CA LEU A 84 76.477 6.903 -3.101 1.00 0.15 C ATOM 1333 C LEU A 84 77.764 7.620 -3.506 1.00 0.15 C ATOM 1334 O LEU A 84 77.914 8.806 -3.285 1.00 0.17 O ATOM 1335 CB LEU A 84 75.374 7.145 -4.128 1.00 0.18 C ATOM 1336 CG LEU A 84 74.352 6.006 -4.042 1.00 0.21 C ATOM 1337 CD1 LEU A 84 72.954 6.520 -4.436 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.780 4.868 -4.985 1.00 0.28 C ATOM 0 H LEU A 84 75.208 8.148 -1.907 1.00 0.16 H new ATOM 0 HA LEU A 84 76.712 5.842 -3.019 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.888 8.102 -3.939 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.798 7.195 -5.131 1.00 0.18 H new ATOM 0 HG LEU A 84 74.310 5.633 -3.019 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.235 5.704 -4.372 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.656 7.320 -3.758 1.00 0.20 H new ATOM 0 HD13 LEU A 84 72.981 6.901 -5.457 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.056 4.056 -4.927 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.826 5.241 -6.008 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.762 4.500 -4.689 1.00 0.28 H new ATOM 1350 N LEU A 85 78.721 6.891 -4.024 1.00 0.14 N ATOM 1351 CA LEU A 85 80.039 7.502 -4.366 1.00 0.17 C ATOM 1352 C LEU A 85 80.246 7.545 -5.882 1.00 0.18 C ATOM 1353 O LEU A 85 80.924 8.420 -6.390 1.00 0.24 O ATOM 1354 CB LEU A 85 81.077 6.597 -3.700 1.00 0.22 C ATOM 1355 CG LEU A 85 81.358 7.105 -2.286 1.00 0.89 C ATOM 1356 CD1 LEU A 85 82.005 5.989 -1.462 1.00 1.13 C ATOM 1357 CD2 LEU A 85 82.309 8.303 -2.355 1.00 1.60 C ATOM 0 H LEU A 85 78.644 5.894 -4.225 1.00 0.14 H new ATOM 0 HA LEU A 85 80.112 8.533 -4.021 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.712 5.571 -3.664 1.00 0.22 H new ATOM 0 HB3 LEU A 85 81.997 6.588 -4.285 1.00 0.22 H new ATOM 0 HG LEU A 85 80.422 7.409 -1.816 1.00 0.89 H new ATOM 0 HD11 LEU A 85 82.206 6.351 -0.454 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.330 5.135 -1.413 1.00 1.13 H new ATOM 0 HD13 LEU A 85 82.941 5.686 -1.932 1.00 1.13 H new ATOM 0 HD21 LEU A 85 82.510 8.666 -1.347 1.00 1.60 H new ATOM 0 HD22 LEU A 85 83.244 7.998 -2.824 1.00 1.60 H new ATOM 0 HD23 LEU A 85 81.850 9.098 -2.943 1.00 1.60 H new ATOM 1369 N GLY A 86 79.729 6.571 -6.600 1.00 0.16 N ATOM 1370 CA GLY A 86 79.974 6.528 -8.083 1.00 0.20 C ATOM 1371 C GLY A 86 79.061 5.503 -8.763 1.00 0.17 C ATOM 1372 O GLY A 86 78.188 4.931 -8.143 1.00 0.15 O ATOM 0 H GLY A 86 79.155 5.813 -6.230 1.00 0.16 H new ATOM 0 HA2 GLY A 86 79.801 7.515 -8.512 1.00 0.20 H new ATOM 0 HA3 GLY A 86 81.017 6.275 -8.275 1.00 0.20 H new ATOM 1376 N HIS A 87 79.236 5.307 -10.052 1.00 0.20 N ATOM 1377 CA HIS A 87 78.349 4.366 -10.811 1.00 0.19 C ATOM 1378 C HIS A 87 79.148 3.626 -11.898 1.00 0.19 C ATOM 1379 O HIS A 87 80.119 4.143 -12.421 1.00 0.24 O ATOM 1380 CB HIS A 87 77.268 5.256 -11.448 1.00 0.28 C ATOM 1381 CG HIS A 87 77.898 6.288 -12.353 1.00 0.76 C ATOM 1382 ND1 HIS A 87 78.207 6.019 -13.677 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.281 7.588 -12.135 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.750 7.133 -14.201 1.00 1.57 C ATOM 1385 NE2 HIS A 87 78.818 8.120 -13.304 1.00 1.89 N ATOM 0 H HIS A 87 79.958 5.761 -10.612 1.00 0.20 H new ATOM 0 HA HIS A 87 77.919 3.602 -10.164 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.571 4.641 -12.018 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.691 5.752 -10.668 1.00 0.28 H new ATOM 0 HD2 HIS A 87 78.181 8.117 -11.199 1.00 1.72 H new ATOM 0 HE1 HIS A 87 79.090 7.219 -15.223 1.00 1.57 H new ATOM 0 HE2 HIS A 87 79.185 9.061 -13.445 1.00 1.89 H new ATOM 1393 N TYR A 88 78.702 2.452 -12.285 1.00 0.16 N ATOM 1394 CA TYR A 88 79.379 1.708 -13.391 1.00 0.19 C ATOM 1395 C TYR A 88 78.339 1.017 -14.278 1.00 0.21 C ATOM 1396 O TYR A 88 77.306 0.574 -13.808 1.00 0.17 O ATOM 1397 CB TYR A 88 80.264 0.675 -12.692 1.00 0.21 C ATOM 1398 CG TYR A 88 81.369 1.381 -11.944 1.00 0.32 C ATOM 1399 CD1 TYR A 88 82.546 1.810 -12.643 1.00 0.66 C ATOM 1400 CD2 TYR A 88 81.242 1.623 -10.535 1.00 0.59 C ATOM 1401 CE1 TYR A 88 83.597 2.481 -11.933 1.00 0.77 C ATOM 1402 CE2 TYR A 88 82.293 2.295 -9.825 1.00 0.70 C ATOM 1403 CZ TYR A 88 83.470 2.724 -10.524 1.00 0.65 C ATOM 1404 OH TYR A 88 84.481 3.370 -9.842 1.00 0.80 O ATOM 0 H TYR A 88 77.895 1.978 -11.879 1.00 0.16 H new ATOM 0 HA TYR A 88 79.958 2.367 -14.038 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.668 0.077 -12.002 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.688 -0.012 -13.425 1.00 0.21 H new ATOM 0 HD1 TYR A 88 82.641 1.628 -13.703 1.00 0.66 H new ATOM 0 HD2 TYR A 88 80.356 1.300 -10.009 1.00 0.59 H new ATOM 0 HE1 TYR A 88 84.484 2.803 -12.459 1.00 0.77 H new ATOM 0 HE2 TYR A 88 82.198 2.478 -8.765 1.00 0.70 H new ATOM 0 HH TYR A 88 84.199 3.535 -8.918 1.00 0.80 H new