USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 761 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 1 MET CE :methyl 131:sc= -0.116 (180deg=-0.957) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.095 (180deg=-0.268) USER MOD Single : A 6 LYS NZ :NH3+ -121:sc= 0.928 (180deg=-1.13) USER MOD Single : A 8 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.45) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -8:sc= -2.09 USER MOD Single : A 12 HIS : no HD1:sc= -0.565 X(o=-0.57,f=-0.27) USER MOD Single : A 23 THR OG1 : rot 178:sc= -1.13 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -170:sc= -0.773 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= -0.0545 (180deg=-0.392) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= -1.42 (180deg=-1.42) USER MOD Single : A 42 TYR OH : rot -20:sc= -0.226 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -2.32 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= -1.44 (180deg=-2.08) USER MOD Single : A 87 HIS : no HD1:sc= -0.193 K(o=-0.19,f=-1) USER MOD Single : A 88 TYR OH : rot 78:sc= -0.0786 USER MOD Single : A 89 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00254) USER MOD Single : A 92 ASN : amide:sc= -0.0823 K(o=-0.082,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 83.908 13.554 -0.081 1.00 1.31 N ATOM 2 CA MET A 1 83.917 13.470 -1.570 1.00 0.79 C ATOM 3 C MET A 1 82.535 13.803 -2.134 1.00 0.68 C ATOM 4 O MET A 1 81.623 14.148 -1.407 1.00 0.82 O ATOM 5 CB MET A 1 84.285 12.021 -1.887 1.00 1.18 C ATOM 6 CG MET A 1 85.778 11.812 -1.639 1.00 1.69 C ATOM 7 SD MET A 1 86.249 10.142 -2.159 1.00 2.57 S ATOM 8 CE MET A 1 86.139 10.423 -3.944 1.00 2.76 C ATOM 0 H1 MET A 1 84.584 14.281 0.230 1.00 1.31 H new ATOM 0 H2 MET A 1 82.954 13.805 0.247 1.00 1.31 H new ATOM 0 H3 MET A 1 84.181 12.634 0.320 1.00 1.31 H new ATOM 0 HA MET A 1 84.619 14.177 -2.013 1.00 0.79 H new ATOM 0 HB2 MET A 1 83.703 11.342 -1.264 1.00 1.18 H new ATOM 0 HB3 MET A 1 84.041 11.791 -2.924 1.00 1.18 H new ATOM 0 HG2 MET A 1 86.356 12.553 -2.191 1.00 1.69 H new ATOM 0 HG3 MET A 1 86.005 11.953 -0.582 1.00 1.69 H new ATOM 0 HE1 MET A 1 87.044 10.054 -4.427 1.00 2.76 H new ATOM 0 HE2 MET A 1 85.273 9.894 -4.343 1.00 2.76 H new ATOM 0 HE3 MET A 1 86.033 11.490 -4.138 1.00 2.76 H new ATOM 20 N ASP A 2 82.374 13.661 -3.425 1.00 0.57 N ATOM 21 CA ASP A 2 81.046 13.925 -4.059 1.00 0.50 C ATOM 22 C ASP A 2 80.091 12.764 -3.774 1.00 0.41 C ATOM 23 O ASP A 2 80.511 11.626 -3.653 1.00 0.38 O ATOM 24 CB ASP A 2 81.329 14.030 -5.560 1.00 0.54 C ATOM 25 CG ASP A 2 82.242 15.230 -5.837 1.00 0.92 C ATOM 26 OD1 ASP A 2 82.180 16.189 -5.084 1.00 1.37 O ATOM 27 OD2 ASP A 2 82.987 15.170 -6.802 1.00 1.70 O ATOM 0 H ASP A 2 83.109 13.372 -4.071 1.00 0.57 H new ATOM 0 HA ASP A 2 80.577 14.830 -3.673 1.00 0.50 H new ATOM 0 HB2 ASP A 2 81.801 13.114 -5.915 1.00 0.54 H new ATOM 0 HB3 ASP A 2 80.393 14.140 -6.108 1.00 0.54 H new ATOM 32 N VAL A 3 78.812 13.040 -3.687 1.00 0.40 N ATOM 33 CA VAL A 3 77.824 11.956 -3.435 1.00 0.33 C ATOM 34 C VAL A 3 76.710 12.019 -4.492 1.00 0.31 C ATOM 35 O VAL A 3 76.242 13.089 -4.844 1.00 0.37 O ATOM 36 CB VAL A 3 77.315 12.214 -1.993 1.00 0.36 C ATOM 37 CG1 VAL A 3 76.225 13.300 -1.940 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.755 10.914 -1.413 1.00 0.30 C ATOM 0 H VAL A 3 78.413 13.974 -3.781 1.00 0.40 H new ATOM 0 HA VAL A 3 78.241 10.952 -3.513 1.00 0.33 H new ATOM 0 HB VAL A 3 78.163 12.567 -1.406 1.00 0.36 H new ATOM 0 HG11 VAL A 3 75.903 13.442 -0.908 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.626 14.237 -2.328 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.374 12.991 -2.546 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.396 11.093 -0.399 1.00 0.30 H new ATOM 0 HG22 VAL A 3 75.930 10.565 -2.033 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.539 10.157 -1.392 1.00 0.30 H new ATOM 48 N LEU A 4 76.306 10.891 -5.005 1.00 0.26 N ATOM 49 CA LEU A 4 75.242 10.879 -6.056 1.00 0.28 C ATOM 50 C LEU A 4 73.848 10.873 -5.411 1.00 0.28 C ATOM 51 O LEU A 4 72.879 11.283 -6.020 1.00 0.30 O ATOM 52 CB LEU A 4 75.483 9.595 -6.871 1.00 0.27 C ATOM 53 CG LEU A 4 76.950 9.506 -7.355 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.108 8.297 -8.279 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.353 10.782 -8.113 1.00 0.37 C ATOM 0 H LEU A 4 76.665 9.973 -4.743 1.00 0.26 H new ATOM 0 HA LEU A 4 75.284 11.765 -6.690 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.245 8.724 -6.261 1.00 0.27 H new ATOM 0 HB3 LEU A 4 74.812 9.575 -7.730 1.00 0.27 H new ATOM 0 HG LEU A 4 77.597 9.398 -6.484 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.141 8.233 -8.621 1.00 0.36 H new ATOM 0 HD12 LEU A 4 76.848 7.388 -7.736 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.447 8.408 -9.139 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.388 10.697 -8.444 1.00 0.37 H new ATOM 0 HD22 LEU A 4 76.704 10.911 -8.980 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.252 11.644 -7.454 1.00 0.37 H new ATOM 67 N ALA A 5 73.752 10.478 -4.159 1.00 0.25 N ATOM 68 CA ALA A 5 72.440 10.521 -3.440 1.00 0.25 C ATOM 69 C ALA A 5 72.657 10.182 -1.964 1.00 0.23 C ATOM 70 O ALA A 5 73.634 9.550 -1.607 1.00 0.25 O ATOM 71 CB ALA A 5 71.564 9.458 -4.109 1.00 0.26 C ATOM 0 H ALA A 5 74.533 10.126 -3.605 1.00 0.25 H new ATOM 0 HA ALA A 5 71.975 11.505 -3.490 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.586 9.437 -3.628 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.444 9.698 -5.166 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.038 8.481 -4.010 1.00 0.26 H new ATOM 77 N LYS A 6 71.768 10.619 -1.108 1.00 0.22 N ATOM 78 CA LYS A 6 71.928 10.350 0.354 1.00 0.22 C ATOM 79 C LYS A 6 70.600 9.873 0.950 1.00 0.21 C ATOM 80 O LYS A 6 69.586 10.533 0.812 1.00 0.23 O ATOM 81 CB LYS A 6 72.331 11.699 0.948 1.00 0.24 C ATOM 82 CG LYS A 6 72.646 11.537 2.435 1.00 1.40 C ATOM 83 CD LYS A 6 73.140 12.869 2.999 1.00 1.50 C ATOM 84 CE LYS A 6 74.153 12.608 4.115 1.00 1.79 C ATOM 85 NZ LYS A 6 73.853 13.632 5.154 1.00 2.30 N ATOM 0 H LYS A 6 70.936 11.152 -1.359 1.00 0.22 H new ATOM 0 HA LYS A 6 72.663 9.572 0.561 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.202 12.092 0.423 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.525 12.421 0.814 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.756 11.210 2.973 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.404 10.767 2.575 1.00 1.40 H new ATOM 0 HD2 LYS A 6 73.599 13.463 2.208 1.00 1.50 H new ATOM 0 HD3 LYS A 6 72.300 13.447 3.384 1.00 1.50 H new ATOM 0 HE2 LYS A 6 74.050 11.599 4.514 1.00 1.79 H new ATOM 0 HE3 LYS A 6 75.176 12.704 3.750 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 74.696 14.218 5.317 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 73.069 14.235 4.831 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 73.584 13.159 6.040 1.00 2.30 H new ATOM 99 N PHE A 7 70.594 8.721 1.581 1.00 0.19 N ATOM 100 CA PHE A 7 69.318 8.188 2.154 1.00 0.19 C ATOM 101 C PHE A 7 69.589 7.322 3.392 1.00 0.17 C ATOM 102 O PHE A 7 70.707 6.918 3.643 1.00 0.16 O ATOM 103 CB PHE A 7 68.686 7.374 1.016 1.00 0.20 C ATOM 104 CG PHE A 7 69.571 6.205 0.632 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.790 6.430 -0.094 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.185 4.869 0.986 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.622 5.320 -0.462 1.00 0.19 C ATOM 108 CE2 PHE A 7 70.017 3.759 0.617 1.00 0.20 C ATOM 109 CZ PHE A 7 71.235 3.985 -0.106 1.00 0.20 C ATOM 0 H PHE A 7 71.414 8.131 1.723 1.00 0.19 H new ATOM 0 HA PHE A 7 68.654 8.982 2.495 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.707 7.008 1.325 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.527 8.015 0.149 1.00 0.20 H new ATOM 0 HD1 PHE A 7 71.080 7.435 -0.363 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.268 4.699 1.530 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.539 5.490 -1.007 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.726 2.754 0.884 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.861 3.150 -0.383 1.00 0.20 H new ATOM 119 N HIS A 8 68.576 7.082 4.191 1.00 0.18 N ATOM 120 CA HIS A 8 68.765 6.294 5.450 1.00 0.18 C ATOM 121 C HIS A 8 68.040 4.948 5.342 1.00 0.17 C ATOM 122 O HIS A 8 66.915 4.874 4.883 1.00 0.18 O ATOM 123 CB HIS A 8 68.127 7.147 6.548 1.00 0.20 C ATOM 124 CG HIS A 8 68.859 8.456 6.668 1.00 0.77 C ATOM 125 ND1 HIS A 8 69.966 8.611 7.488 1.00 1.41 N ATOM 126 CD2 HIS A 8 68.649 9.680 6.083 1.00 1.61 C ATOM 127 CE1 HIS A 8 70.376 9.889 7.375 1.00 1.81 C ATOM 128 NE2 HIS A 8 69.609 10.583 6.531 1.00 1.99 N ATOM 0 H HIS A 8 67.621 7.400 4.024 1.00 0.18 H new ATOM 0 HA HIS A 8 69.815 6.081 5.650 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.077 7.327 6.317 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.158 6.614 7.499 1.00 0.20 H new ATOM 0 HD2 HIS A 8 67.859 9.908 5.382 1.00 1.61 H new ATOM 0 HE1 HIS A 8 71.223 10.302 7.903 1.00 1.81 H new ATOM 0 HE2 HIS A 8 69.706 11.564 6.270 1.00 1.99 H new ATOM 136 N THR A 9 68.662 3.895 5.809 1.00 0.16 N ATOM 137 CA THR A 9 68.005 2.550 5.796 1.00 0.17 C ATOM 138 C THR A 9 68.548 1.696 6.952 1.00 0.16 C ATOM 139 O THR A 9 69.611 1.972 7.473 1.00 0.15 O ATOM 140 CB THR A 9 68.345 1.945 4.418 1.00 0.17 C ATOM 141 OG1 THR A 9 67.601 0.749 4.237 1.00 0.18 O ATOM 142 CG2 THR A 9 69.845 1.634 4.309 1.00 0.17 C ATOM 0 H THR A 9 69.603 3.908 6.202 1.00 0.16 H new ATOM 0 HA THR A 9 66.925 2.603 5.937 1.00 0.17 H new ATOM 0 HB THR A 9 68.087 2.670 3.646 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.812 0.362 3.362 1.00 0.18 H new ATOM 0 HG21 THR A 9 70.058 1.209 3.328 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.417 2.553 4.438 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.126 0.920 5.083 1.00 0.17 H new ATOM 150 N THR A 10 67.858 0.642 7.317 1.00 0.17 N ATOM 151 CA THR A 10 68.380 -0.253 8.398 1.00 0.17 C ATOM 152 C THR A 10 68.780 -1.615 7.808 1.00 0.17 C ATOM 153 O THR A 10 68.364 -1.973 6.720 1.00 0.17 O ATOM 154 CB THR A 10 67.239 -0.368 9.445 1.00 0.17 C ATOM 155 OG1 THR A 10 67.765 -0.880 10.657 1.00 0.17 O ATOM 156 CG2 THR A 10 66.116 -1.300 8.977 1.00 0.17 C ATOM 0 H THR A 10 66.962 0.364 6.916 1.00 0.17 H new ATOM 0 HA THR A 10 69.279 0.143 8.869 1.00 0.17 H new ATOM 0 HB THR A 10 66.823 0.630 9.583 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.693 -1.161 10.518 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.341 -1.349 9.742 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.688 -0.917 8.051 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.519 -2.298 8.805 1.00 0.17 H new ATOM 164 N VAL A 11 69.630 -2.335 8.493 1.00 0.17 N ATOM 165 CA VAL A 11 70.124 -3.638 7.950 1.00 0.17 C ATOM 166 C VAL A 11 69.075 -4.733 8.159 1.00 0.17 C ATOM 167 O VAL A 11 68.530 -4.885 9.233 1.00 0.17 O ATOM 168 CB VAL A 11 71.402 -3.956 8.741 1.00 0.21 C ATOM 169 CG1 VAL A 11 72.008 -5.271 8.235 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.422 -2.821 8.560 1.00 0.49 C ATOM 0 H VAL A 11 70.005 -2.078 9.406 1.00 0.17 H new ATOM 0 HA VAL A 11 70.318 -3.584 6.879 1.00 0.17 H new ATOM 0 HB VAL A 11 71.153 -4.053 9.798 1.00 0.21 H new ATOM 0 HG11 VAL A 11 72.914 -5.494 8.798 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.289 -6.079 8.370 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.252 -5.176 7.177 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.326 -3.051 9.123 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.669 -2.719 7.503 1.00 0.49 H new ATOM 0 HG23 VAL A 11 71.995 -1.887 8.925 1.00 0.49 H new ATOM 180 N HIS A 12 68.871 -5.549 7.160 1.00 0.21 N ATOM 181 CA HIS A 12 67.954 -6.718 7.298 1.00 0.25 C ATOM 182 C HIS A 12 68.743 -8.013 7.138 1.00 0.25 C ATOM 183 O HIS A 12 69.931 -8.001 6.877 1.00 0.25 O ATOM 184 CB HIS A 12 66.917 -6.590 6.184 1.00 0.26 C ATOM 185 CG HIS A 12 65.800 -5.694 6.640 1.00 0.31 C ATOM 186 ND1 HIS A 12 66.001 -4.356 6.940 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.466 -5.931 6.861 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.818 -3.844 7.320 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.848 -4.761 7.291 1.00 0.56 N ATOM 0 H HIS A 12 69.306 -5.454 6.242 1.00 0.21 H new ATOM 0 HA HIS A 12 67.475 -6.737 8.277 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.381 -6.182 5.286 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.525 -7.573 5.922 1.00 0.26 H new ATOM 0 HD2 HIS A 12 63.972 -6.881 6.722 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.670 -2.815 7.613 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.865 -4.632 7.532 1.00 0.56 H new ATOM 197 N ARG A 13 68.111 -9.129 7.394 1.00 0.29 N ATOM 198 CA ARG A 13 68.823 -10.455 7.372 1.00 0.32 C ATOM 199 C ARG A 13 69.703 -10.611 6.114 1.00 0.29 C ATOM 200 O ARG A 13 69.511 -9.937 5.123 1.00 0.24 O ATOM 201 CB ARG A 13 67.695 -11.484 7.353 1.00 0.36 C ATOM 202 CG ARG A 13 68.253 -12.874 7.663 1.00 0.72 C ATOM 203 CD ARG A 13 67.128 -13.905 7.570 1.00 1.16 C ATOM 204 NE ARG A 13 67.747 -15.195 8.009 1.00 1.81 N ATOM 205 CZ ARG A 13 67.945 -15.474 9.287 1.00 2.39 C ATOM 206 NH1 ARG A 13 67.608 -14.635 10.243 1.00 2.96 N ATOM 207 NH2 ARG A 13 68.490 -16.615 9.609 1.00 2.76 N ATOM 0 H ARG A 13 67.118 -9.185 7.621 1.00 0.29 H new ATOM 0 HA ARG A 13 69.495 -10.566 8.223 1.00 0.32 H new ATOM 0 HB2 ARG A 13 66.934 -11.216 8.086 1.00 0.36 H new ATOM 0 HB3 ARG A 13 67.210 -11.487 6.377 1.00 0.36 H new ATOM 0 HG2 ARG A 13 69.049 -13.123 6.961 1.00 0.72 H new ATOM 0 HG3 ARG A 13 68.692 -12.888 8.661 1.00 0.72 H new ATOM 0 HD2 ARG A 13 66.289 -13.632 8.210 1.00 1.16 H new ATOM 0 HD3 ARG A 13 66.743 -13.978 6.553 1.00 1.16 H new ATOM 0 HE ARG A 13 68.024 -15.878 7.304 1.00 1.81 H new ATOM 0 HH11 ARG A 13 67.181 -13.739 10.008 1.00 2.96 H new ATOM 0 HH12 ARG A 13 67.774 -14.880 11.219 1.00 2.96 H new ATOM 0 HH21 ARG A 13 68.757 -17.277 8.880 1.00 2.76 H new ATOM 0 HH22 ARG A 13 68.649 -16.845 10.590 1.00 2.76 H new ATOM 221 N ILE A 14 70.748 -11.405 6.214 1.00 0.34 N ATOM 222 CA ILE A 14 71.765 -11.545 5.103 1.00 0.34 C ATOM 223 C ILE A 14 72.506 -10.224 4.806 1.00 0.28 C ATOM 224 O ILE A 14 73.270 -10.157 3.858 1.00 0.29 O ATOM 225 CB ILE A 14 71.001 -12.002 3.844 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.178 -13.256 4.148 1.00 0.31 C ATOM 227 CG2 ILE A 14 72.004 -12.327 2.736 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.230 -13.530 2.979 1.00 0.36 C ATOM 0 H ILE A 14 70.947 -11.976 7.035 1.00 0.34 H new ATOM 0 HA ILE A 14 72.525 -12.265 5.406 1.00 0.34 H new ATOM 0 HB ILE A 14 70.333 -11.201 3.527 1.00 0.36 H new ATOM 0 HG12 ILE A 14 70.838 -14.109 4.305 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.610 -13.119 5.068 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.468 -12.651 1.844 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.591 -11.438 2.504 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.669 -13.124 3.069 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.641 -14.422 3.190 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.563 -12.678 2.844 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.810 -13.685 2.069 1.00 0.36 H new ATOM 240 N GLY A 15 72.311 -9.182 5.591 1.00 0.24 N ATOM 241 CA GLY A 15 73.030 -7.897 5.329 1.00 0.20 C ATOM 242 C GLY A 15 72.366 -7.142 4.166 1.00 0.17 C ATOM 243 O GLY A 15 72.975 -6.268 3.572 1.00 0.15 O ATOM 0 H GLY A 15 71.686 -9.171 6.397 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.021 -7.278 6.226 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.075 -8.099 5.092 1.00 0.20 H new ATOM 247 N ARG A 16 71.154 -7.504 3.797 1.00 0.18 N ATOM 248 CA ARG A 16 70.489 -6.840 2.635 1.00 0.18 C ATOM 249 C ARG A 16 69.794 -5.552 3.084 1.00 0.19 C ATOM 250 O ARG A 16 69.149 -5.520 4.114 1.00 0.24 O ATOM 251 CB ARG A 16 69.463 -7.862 2.129 1.00 0.26 C ATOM 252 CG ARG A 16 68.737 -7.304 0.900 1.00 0.26 C ATOM 253 CD ARG A 16 67.754 -8.350 0.367 1.00 0.76 C ATOM 254 NE ARG A 16 66.677 -8.441 1.405 1.00 0.91 N ATOM 255 CZ ARG A 16 65.883 -9.495 1.493 1.00 1.31 C ATOM 256 NH1 ARG A 16 65.993 -10.520 0.675 1.00 1.96 N ATOM 257 NH2 ARG A 16 64.962 -9.520 2.417 1.00 1.41 N ATOM 0 H ARG A 16 70.602 -8.230 4.253 1.00 0.18 H new ATOM 0 HA ARG A 16 71.200 -6.558 1.858 1.00 0.18 H new ATOM 0 HB2 ARG A 16 69.962 -8.797 1.874 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.744 -8.089 2.916 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.204 -6.390 1.163 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.459 -7.041 0.127 1.00 0.26 H new ATOM 0 HD2 ARG A 16 67.346 -8.051 -0.599 1.00 0.76 H new ATOM 0 HD3 ARG A 16 68.244 -9.313 0.222 1.00 0.76 H new ATOM 0 HE ARG A 16 66.553 -7.670 2.061 1.00 0.91 H new ATOM 0 HH11 ARG A 16 66.707 -10.517 -0.054 1.00 1.96 H new ATOM 0 HH12 ARG A 16 65.365 -11.318 0.770 1.00 1.96 H new ATOM 0 HH21 ARG A 16 64.862 -8.734 3.059 1.00 1.41 H new ATOM 0 HH22 ARG A 16 64.342 -10.326 2.497 1.00 1.41 H new ATOM 271 N ILE A 17 69.800 -4.549 2.244 1.00 0.18 N ATOM 272 CA ILE A 17 68.991 -3.322 2.521 1.00 0.21 C ATOM 273 C ILE A 17 68.191 -2.946 1.269 1.00 0.19 C ATOM 274 O ILE A 17 68.608 -3.233 0.162 1.00 0.15 O ATOM 275 CB ILE A 17 70.006 -2.225 2.887 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.965 -1.974 1.714 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.811 -2.661 4.114 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.770 -0.693 1.963 1.00 0.30 C ATOM 0 H ILE A 17 70.332 -4.526 1.374 1.00 0.18 H new ATOM 0 HA ILE A 17 68.274 -3.468 3.329 1.00 0.21 H new ATOM 0 HB ILE A 17 69.465 -1.305 3.108 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.640 -2.821 1.597 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.402 -1.885 0.785 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.530 -1.883 4.373 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.135 -2.824 4.953 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.342 -3.586 3.891 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.448 -0.521 1.127 1.00 0.30 H new ATOM 0 HD12 ILE A 17 71.089 0.152 2.057 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.346 -0.798 2.882 1.00 0.30 H new ATOM 290 N ILE A 18 67.086 -2.259 1.430 1.00 0.23 N ATOM 291 CA ILE A 18 66.304 -1.807 0.236 1.00 0.20 C ATOM 292 C ILE A 18 66.276 -0.283 0.177 1.00 0.20 C ATOM 293 O ILE A 18 65.866 0.371 1.119 1.00 0.22 O ATOM 294 CB ILE A 18 64.881 -2.354 0.428 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.907 -3.882 0.627 1.00 0.25 C ATOM 296 CG2 ILE A 18 64.038 -2.011 -0.808 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.580 -4.571 -0.569 1.00 0.24 C ATOM 0 H ILE A 18 66.693 -1.992 2.333 1.00 0.23 H new ATOM 0 HA ILE A 18 66.748 -2.166 -0.693 1.00 0.20 H new ATOM 0 HB ILE A 18 64.444 -1.897 1.316 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.444 -4.126 1.544 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.890 -4.256 0.744 1.00 0.25 H new ATOM 0 HG21 ILE A 18 63.027 -2.397 -0.677 1.00 0.22 H new ATOM 0 HG22 ILE A 18 64.000 -0.929 -0.934 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.488 -2.463 -1.692 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.589 -5.649 -0.410 1.00 0.24 H new ATOM 0 HD12 ILE A 18 65.026 -4.343 -1.479 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.604 -4.210 -0.668 1.00 0.24 H new ATOM 309 N ILE A 19 66.629 0.278 -0.953 1.00 0.17 N ATOM 310 CA ILE A 19 66.534 1.762 -1.112 1.00 0.17 C ATOM 311 C ILE A 19 65.080 2.150 -1.416 1.00 0.19 C ATOM 312 O ILE A 19 64.418 1.462 -2.164 1.00 0.17 O ATOM 313 CB ILE A 19 67.456 2.109 -2.294 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.889 1.641 -1.956 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.430 3.629 -2.515 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.882 2.060 -3.046 1.00 0.23 C ATOM 0 H ILE A 19 66.977 -0.225 -1.769 1.00 0.17 H new ATOM 0 HA ILE A 19 66.832 2.300 -0.212 1.00 0.17 H new ATOM 0 HB ILE A 19 67.120 1.612 -3.204 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.196 2.064 -0.999 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.903 0.557 -1.845 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.080 3.886 -3.351 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.411 3.947 -2.737 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.780 4.134 -1.614 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.881 1.716 -2.779 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.587 1.616 -3.997 1.00 0.23 H new ATOM 0 HD13 ILE A 19 69.884 3.146 -3.138 1.00 0.23 H new ATOM 328 N PRO A 20 64.648 3.295 -0.924 1.00 0.24 N ATOM 329 CA PRO A 20 63.294 3.797 -1.285 1.00 0.28 C ATOM 330 C PRO A 20 63.231 4.073 -2.779 1.00 0.26 C ATOM 331 O PRO A 20 64.198 4.506 -3.375 1.00 0.25 O ATOM 332 CB PRO A 20 63.173 5.091 -0.491 1.00 0.34 C ATOM 333 CG PRO A 20 64.591 5.506 -0.286 1.00 0.35 C ATOM 334 CD PRO A 20 65.332 4.231 -0.013 1.00 0.29 C ATOM 0 HA PRO A 20 62.493 3.092 -1.063 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.609 5.846 -1.038 1.00 0.34 H new ATOM 0 HB3 PRO A 20 62.659 4.934 0.457 1.00 0.34 H new ATOM 0 HG2 PRO A 20 64.986 6.011 -1.167 1.00 0.35 H new ATOM 0 HG3 PRO A 20 64.682 6.202 0.548 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.395 4.318 -0.236 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.250 3.923 1.029 1.00 0.29 H new ATOM 342 N ALA A 21 62.107 3.805 -3.389 1.00 0.28 N ATOM 343 CA ALA A 21 61.978 4.013 -4.866 1.00 0.29 C ATOM 344 C ALA A 21 62.286 5.470 -5.232 1.00 0.31 C ATOM 345 O ALA A 21 62.708 5.764 -6.335 1.00 0.32 O ATOM 346 CB ALA A 21 60.522 3.677 -5.200 1.00 0.33 C ATOM 0 H ALA A 21 61.269 3.450 -2.929 1.00 0.28 H new ATOM 0 HA ALA A 21 62.677 3.390 -5.424 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.354 3.808 -6.269 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.315 2.643 -4.924 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.859 4.341 -4.645 1.00 0.33 H new ATOM 352 N GLY A 22 62.080 6.382 -4.309 1.00 0.34 N ATOM 353 CA GLY A 22 62.355 7.824 -4.601 1.00 0.38 C ATOM 354 C GLY A 22 63.850 8.027 -4.855 1.00 0.37 C ATOM 355 O GLY A 22 64.239 8.719 -5.780 1.00 0.39 O ATOM 0 H GLY A 22 61.734 6.189 -3.369 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.782 8.143 -5.472 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.032 8.442 -3.763 1.00 0.38 H new ATOM 359 N THR A 23 64.689 7.436 -4.039 1.00 0.34 N ATOM 360 CA THR A 23 66.164 7.605 -4.227 1.00 0.34 C ATOM 361 C THR A 23 66.622 6.872 -5.489 1.00 0.30 C ATOM 362 O THR A 23 67.426 7.381 -6.245 1.00 0.32 O ATOM 363 CB THR A 23 66.815 7.000 -2.981 1.00 0.34 C ATOM 364 OG1 THR A 23 66.309 7.651 -1.825 1.00 0.39 O ATOM 365 CG2 THR A 23 68.334 7.190 -3.049 1.00 0.37 C ATOM 0 H THR A 23 64.417 6.845 -3.253 1.00 0.34 H new ATOM 0 HA THR A 23 66.441 8.652 -4.349 1.00 0.34 H new ATOM 0 HB THR A 23 66.587 5.935 -2.933 1.00 0.34 H new ATOM 0 HG1 THR A 23 66.698 7.244 -1.023 1.00 0.39 H new ATOM 0 HG21 THR A 23 68.795 6.758 -2.161 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.723 6.693 -3.938 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.566 8.254 -3.097 1.00 0.37 H new ATOM 373 N ARG A 24 66.063 5.712 -5.765 1.00 0.26 N ATOM 374 CA ARG A 24 66.419 4.983 -7.042 1.00 0.25 C ATOM 375 C ARG A 24 66.156 5.899 -8.243 1.00 0.28 C ATOM 376 O ARG A 24 66.898 5.915 -9.204 1.00 0.29 O ATOM 377 CB ARG A 24 65.496 3.753 -7.162 1.00 0.25 C ATOM 378 CG ARG A 24 65.392 2.980 -5.845 1.00 0.23 C ATOM 379 CD ARG A 24 65.051 1.520 -6.139 1.00 0.24 C ATOM 380 NE ARG A 24 64.258 1.064 -4.956 1.00 0.27 N ATOM 381 CZ ARG A 24 63.415 0.050 -5.030 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.238 -0.633 -6.140 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.741 -0.284 -3.965 1.00 0.39 N ATOM 0 H ARG A 24 65.382 5.239 -5.171 1.00 0.26 H new ATOM 0 HA ARG A 24 67.468 4.689 -7.024 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.502 4.075 -7.472 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.874 3.091 -7.941 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.333 3.042 -5.299 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.625 3.423 -5.210 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.476 1.426 -7.060 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.953 0.921 -6.264 1.00 0.24 H new ATOM 0 HE ARG A 24 64.371 1.550 -4.066 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.761 -0.385 -6.980 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.578 -1.411 -6.161 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.870 0.235 -3.096 1.00 0.39 H new ATOM 0 HH22 ARG A 24 62.085 -1.064 -4.001 1.00 0.39 H new ATOM 397 N LYS A 25 65.066 6.619 -8.194 1.00 0.32 N ATOM 398 CA LYS A 25 64.682 7.504 -9.336 1.00 0.37 C ATOM 399 C LYS A 25 65.712 8.621 -9.503 1.00 0.38 C ATOM 400 O LYS A 25 66.221 8.849 -10.583 1.00 0.40 O ATOM 401 CB LYS A 25 63.316 8.083 -8.945 1.00 0.42 C ATOM 402 CG LYS A 25 62.787 8.974 -10.067 1.00 1.08 C ATOM 403 CD LYS A 25 61.438 9.567 -9.656 1.00 1.68 C ATOM 404 CE LYS A 25 60.833 10.328 -10.838 1.00 2.42 C ATOM 405 NZ LYS A 25 59.582 10.936 -10.303 1.00 2.97 N ATOM 0 H LYS A 25 64.419 6.633 -7.405 1.00 0.32 H new ATOM 0 HA LYS A 25 64.640 6.966 -10.283 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.612 7.275 -8.748 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.406 8.659 -8.024 1.00 0.42 H new ATOM 0 HG2 LYS A 25 63.498 9.773 -10.277 1.00 1.08 H new ATOM 0 HG3 LYS A 25 62.677 8.395 -10.984 1.00 1.08 H new ATOM 0 HD2 LYS A 25 60.762 8.774 -9.336 1.00 1.68 H new ATOM 0 HD3 LYS A 25 61.567 10.237 -8.806 1.00 1.68 H new ATOM 0 HE2 LYS A 25 61.517 11.092 -11.208 1.00 2.42 H new ATOM 0 HE3 LYS A 25 60.622 9.659 -11.672 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 59.109 11.476 -11.056 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 58.948 10.184 -9.965 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 59.815 11.573 -9.515 1.00 2.97 H new ATOM 419 N PHE A 26 66.032 9.300 -8.432 1.00 0.38 N ATOM 420 CA PHE A 26 67.038 10.413 -8.505 1.00 0.42 C ATOM 421 C PHE A 26 68.374 9.903 -9.058 1.00 0.42 C ATOM 422 O PHE A 26 69.066 10.603 -9.774 1.00 0.46 O ATOM 423 CB PHE A 26 67.202 10.899 -7.061 1.00 0.43 C ATOM 424 CG PHE A 26 68.132 12.088 -7.023 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.672 13.374 -7.463 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.477 11.930 -6.549 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.556 14.503 -7.428 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.361 13.060 -6.514 1.00 0.64 C ATOM 429 CZ PHE A 26 69.901 14.346 -6.954 1.00 0.67 C ATOM 0 H PHE A 26 65.641 9.134 -7.505 1.00 0.38 H new ATOM 0 HA PHE A 26 66.712 11.212 -9.171 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.231 11.172 -6.647 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.599 10.096 -6.440 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.660 13.492 -7.821 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.824 10.962 -6.219 1.00 0.56 H new ATOM 0 HE1 PHE A 26 68.209 15.471 -7.758 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.373 12.942 -6.156 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.567 15.196 -6.928 1.00 0.67 H new ATOM 439 N TYR A 27 68.763 8.717 -8.673 1.00 0.39 N ATOM 440 CA TYR A 27 70.092 8.173 -9.103 1.00 0.42 C ATOM 441 C TYR A 27 69.979 7.425 -10.447 1.00 0.35 C ATOM 442 O TYR A 27 70.976 7.180 -11.103 1.00 0.37 O ATOM 443 CB TYR A 27 70.476 7.211 -7.972 1.00 0.46 C ATOM 444 CG TYR A 27 71.865 6.645 -8.178 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.097 5.637 -9.172 1.00 0.85 C ATOM 446 CD2 TYR A 27 72.947 7.094 -7.351 1.00 0.95 C ATOM 447 CE1 TYR A 27 73.407 5.080 -9.341 1.00 1.10 C ATOM 448 CE2 TYR A 27 74.257 6.531 -7.514 1.00 1.16 C ATOM 449 CZ TYR A 27 74.485 5.525 -8.509 1.00 1.18 C ATOM 450 OH TYR A 27 75.739 4.978 -8.659 1.00 1.44 O ATOM 0 H TYR A 27 68.217 8.096 -8.076 1.00 0.39 H new ATOM 0 HA TYR A 27 70.833 8.956 -9.263 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.432 7.734 -7.017 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.753 6.397 -7.923 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.283 5.297 -9.795 1.00 0.85 H new ATOM 0 HD2 TYR A 27 72.776 7.856 -6.605 1.00 0.95 H new ATOM 0 HE1 TYR A 27 73.581 4.326 -10.094 1.00 1.10 H new ATOM 0 HE2 TYR A 27 75.071 6.865 -6.887 1.00 1.16 H new ATOM 0 HH TYR A 27 76.312 5.264 -7.917 1.00 1.44 H new ATOM 460 N GLY A 28 68.778 7.103 -10.888 1.00 0.31 N ATOM 461 CA GLY A 28 68.622 6.412 -12.205 1.00 0.29 C ATOM 462 C GLY A 28 69.016 4.937 -12.059 1.00 0.26 C ATOM 463 O GLY A 28 69.733 4.398 -12.883 1.00 0.27 O ATOM 0 H GLY A 28 67.907 7.290 -10.391 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.591 6.492 -12.549 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.247 6.894 -12.957 1.00 0.29 H new ATOM 467 N ILE A 29 68.601 4.297 -10.988 1.00 0.24 N ATOM 468 CA ILE A 29 69.005 2.872 -10.749 1.00 0.23 C ATOM 469 C ILE A 29 68.025 1.916 -11.434 1.00 0.20 C ATOM 470 O ILE A 29 66.851 1.879 -11.112 1.00 0.22 O ATOM 471 CB ILE A 29 68.962 2.676 -9.223 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.922 3.666 -8.556 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.378 1.241 -8.863 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.835 3.555 -7.030 1.00 0.42 C ATOM 0 H ILE A 29 68.000 4.701 -10.269 1.00 0.24 H new ATOM 0 HA ILE A 29 69.995 2.663 -11.155 1.00 0.23 H new ATOM 0 HB ILE A 29 67.946 2.852 -8.870 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.943 3.468 -8.883 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.679 4.682 -8.867 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.344 1.113 -7.781 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.694 0.535 -9.334 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.392 1.056 -9.219 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.524 4.266 -6.574 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.818 3.777 -6.706 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.101 2.544 -6.723 1.00 0.42 H new ATOM 486 N GLU A 30 68.542 1.039 -12.256 1.00 0.17 N ATOM 487 CA GLU A 30 67.705 -0.050 -12.836 1.00 0.18 C ATOM 488 C GLU A 30 68.398 -1.392 -12.596 1.00 0.17 C ATOM 489 O GLU A 30 69.600 -1.443 -12.405 1.00 0.18 O ATOM 490 CB GLU A 30 67.621 0.259 -14.331 1.00 0.22 C ATOM 491 CG GLU A 30 66.660 -0.726 -15.005 1.00 1.06 C ATOM 492 CD GLU A 30 65.223 -0.452 -14.546 1.00 1.14 C ATOM 493 OE1 GLU A 30 64.927 0.689 -14.224 1.00 1.37 O ATOM 494 OE2 GLU A 30 64.441 -1.387 -14.531 1.00 1.82 O ATOM 0 H GLU A 30 69.518 1.032 -12.552 1.00 0.17 H new ATOM 0 HA GLU A 30 66.712 -0.107 -12.389 1.00 0.18 H new ATOM 0 HB2 GLU A 30 67.275 1.282 -14.483 1.00 0.22 H new ATOM 0 HB3 GLU A 30 68.610 0.186 -14.784 1.00 0.22 H new ATOM 0 HG2 GLU A 30 66.729 -0.631 -16.089 1.00 1.06 H new ATOM 0 HG3 GLU A 30 66.941 -1.749 -14.756 1.00 1.06 H new ATOM 501 N GLN A 31 67.656 -2.476 -12.568 1.00 0.20 N ATOM 502 CA GLN A 31 68.282 -3.814 -12.293 1.00 0.20 C ATOM 503 C GLN A 31 69.416 -4.093 -13.287 1.00 0.19 C ATOM 504 O GLN A 31 69.313 -3.801 -14.463 1.00 0.20 O ATOM 505 CB GLN A 31 67.161 -4.835 -12.475 1.00 0.25 C ATOM 506 CG GLN A 31 67.643 -6.212 -12.002 1.00 1.08 C ATOM 507 CD GLN A 31 66.515 -7.243 -12.146 1.00 1.10 C ATOM 508 OE1 GLN A 31 65.378 -6.896 -12.406 1.00 0.70 O ATOM 509 NE2 GLN A 31 66.787 -8.509 -11.988 1.00 1.99 N ATOM 0 H GLN A 31 66.648 -2.494 -12.723 1.00 0.20 H new ATOM 0 HA GLN A 31 68.715 -3.856 -11.293 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.282 -4.531 -11.907 1.00 0.25 H new ATOM 0 HB3 GLN A 31 66.864 -4.882 -13.523 1.00 0.25 H new ATOM 0 HG2 GLN A 31 68.508 -6.524 -12.587 1.00 1.08 H new ATOM 0 HG3 GLN A 31 67.965 -6.156 -10.962 1.00 1.08 H new ATOM 0 HE21 GLN A 31 67.739 -8.803 -11.770 1.00 1.99 H new ATOM 0 HE22 GLN A 31 66.048 -9.205 -12.082 1.00 1.99 H new ATOM 518 N GLY A 32 70.488 -4.667 -12.810 1.00 0.18 N ATOM 519 CA GLY A 32 71.641 -4.989 -13.702 1.00 0.19 C ATOM 520 C GLY A 32 72.680 -3.855 -13.683 1.00 0.17 C ATOM 521 O GLY A 32 73.822 -4.065 -14.054 1.00 0.18 O ATOM 0 H GLY A 32 70.616 -4.929 -11.833 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.107 -5.920 -13.380 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.286 -5.146 -14.721 1.00 0.19 H new ATOM 525 N ASP A 33 72.324 -2.676 -13.206 1.00 0.15 N ATOM 526 CA ASP A 33 73.331 -1.569 -13.112 1.00 0.14 C ATOM 527 C ASP A 33 74.242 -1.791 -11.906 1.00 0.13 C ATOM 528 O ASP A 33 73.843 -2.414 -10.940 1.00 0.14 O ATOM 529 CB ASP A 33 72.513 -0.289 -12.930 1.00 0.13 C ATOM 530 CG ASP A 33 71.690 -0.003 -14.190 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.093 -0.433 -15.261 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.671 0.650 -14.060 1.00 1.07 O ATOM 0 H ASP A 33 71.387 -2.439 -12.882 1.00 0.15 H new ATOM 0 HA ASP A 33 73.968 -1.520 -13.995 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.851 -0.391 -12.070 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.178 0.550 -12.723 1.00 0.13 H new ATOM 537 N PHE A 34 75.415 -1.199 -11.907 1.00 0.12 N ATOM 538 CA PHE A 34 76.296 -1.281 -10.708 1.00 0.11 C ATOM 539 C PHE A 34 76.434 0.101 -10.080 1.00 0.10 C ATOM 540 O PHE A 34 76.660 1.074 -10.771 1.00 0.11 O ATOM 541 CB PHE A 34 77.646 -1.769 -11.233 1.00 0.12 C ATOM 542 CG PHE A 34 77.540 -3.221 -11.629 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.132 -3.574 -12.959 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.850 -4.248 -10.677 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.033 -4.955 -13.336 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.752 -5.628 -11.054 1.00 0.20 C ATOM 547 CZ PHE A 34 77.343 -5.983 -12.383 1.00 0.21 C ATOM 0 H PHE A 34 75.795 -0.664 -12.688 1.00 0.12 H new ATOM 0 HA PHE A 34 75.899 -1.948 -9.943 1.00 0.11 H new ATOM 0 HB2 PHE A 34 77.953 -1.169 -12.090 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.412 -1.645 -10.467 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.900 -2.800 -13.676 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.157 -3.982 -9.676 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.725 -5.221 -14.336 1.00 0.20 H new ATOM 0 HE2 PHE A 34 77.986 -6.401 -10.337 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.268 -7.023 -12.666 1.00 0.21 H new ATOM 557 N VAL A 35 76.406 0.176 -8.775 1.00 0.09 N ATOM 558 CA VAL A 35 76.656 1.479 -8.093 1.00 0.09 C ATOM 559 C VAL A 35 77.704 1.284 -6.996 1.00 0.10 C ATOM 560 O VAL A 35 77.864 0.198 -6.473 1.00 0.10 O ATOM 561 CB VAL A 35 75.299 1.911 -7.518 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.293 2.083 -8.660 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.774 0.853 -6.544 1.00 0.15 C ATOM 0 H VAL A 35 76.221 -0.610 -8.152 1.00 0.09 H new ATOM 0 HA VAL A 35 77.045 2.243 -8.766 1.00 0.09 H new ATOM 0 HB VAL A 35 75.426 2.854 -6.987 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.329 2.390 -8.253 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.654 2.845 -9.351 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.179 1.137 -9.190 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.812 1.172 -6.144 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.653 -0.095 -7.068 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.483 0.728 -5.726 1.00 0.15 H new ATOM 573 N GLU A 36 78.415 2.327 -6.646 1.00 0.12 N ATOM 574 CA GLU A 36 79.454 2.213 -5.582 1.00 0.13 C ATOM 575 C GLU A 36 79.039 3.090 -4.419 1.00 0.13 C ATOM 576 O GLU A 36 78.628 4.215 -4.623 1.00 0.13 O ATOM 577 CB GLU A 36 80.745 2.732 -6.216 1.00 0.14 C ATOM 578 CG GLU A 36 81.900 2.563 -5.226 1.00 0.15 C ATOM 579 CD GLU A 36 83.152 3.247 -5.778 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.012 4.302 -6.376 1.00 1.03 O ATOM 581 OE2 GLU A 36 84.229 2.705 -5.595 1.00 1.09 O ATOM 0 H GLU A 36 78.318 3.256 -7.055 1.00 0.12 H new ATOM 0 HA GLU A 36 79.583 1.195 -5.214 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.957 2.186 -7.136 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.634 3.782 -6.487 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.632 2.995 -4.262 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.096 1.504 -5.057 1.00 0.15 H new ATOM 588 N ILE A 37 78.926 2.513 -3.252 1.00 0.12 N ATOM 589 CA ILE A 37 78.270 3.242 -2.132 1.00 0.11 C ATOM 590 C ILE A 37 79.016 3.017 -0.811 1.00 0.11 C ATOM 591 O ILE A 37 79.722 2.039 -0.644 1.00 0.12 O ATOM 592 CB ILE A 37 76.852 2.661 -2.088 1.00 0.12 C ATOM 593 CG1 ILE A 37 76.038 3.363 -0.999 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.904 1.156 -1.799 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.544 3.316 -1.353 1.00 0.14 C ATOM 0 H ILE A 37 79.258 1.575 -3.028 1.00 0.12 H new ATOM 0 HA ILE A 37 78.268 4.322 -2.278 1.00 0.11 H new ATOM 0 HB ILE A 37 76.378 2.821 -3.056 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.208 2.880 -0.037 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.365 4.398 -0.898 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.891 0.756 -1.770 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.470 0.654 -2.584 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.388 0.987 -0.837 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.970 3.817 -0.574 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.380 3.819 -2.306 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.221 2.278 -1.431 1.00 0.14 H new ATOM 607 N LYS A 38 78.838 3.909 0.128 1.00 0.12 N ATOM 608 CA LYS A 38 79.500 3.764 1.458 1.00 0.13 C ATOM 609 C LYS A 38 78.477 3.983 2.578 1.00 0.13 C ATOM 610 O LYS A 38 77.615 4.831 2.474 1.00 0.14 O ATOM 611 CB LYS A 38 80.562 4.867 1.482 1.00 0.13 C ATOM 612 CG LYS A 38 81.702 4.477 2.433 1.00 0.18 C ATOM 613 CD LYS A 38 81.597 5.281 3.734 1.00 0.25 C ATOM 614 CE LYS A 38 82.466 6.537 3.631 1.00 1.03 C ATOM 615 NZ LYS A 38 81.519 7.631 3.276 1.00 1.11 N ATOM 0 H LYS A 38 78.256 4.741 0.029 1.00 0.12 H new ATOM 0 HA LYS A 38 79.930 2.774 1.607 1.00 0.13 H new ATOM 0 HB2 LYS A 38 80.954 5.028 0.478 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.114 5.807 1.804 1.00 0.13 H new ATOM 0 HG2 LYS A 38 81.656 3.410 2.650 1.00 0.18 H new ATOM 0 HG3 LYS A 38 82.664 4.664 1.957 1.00 0.18 H new ATOM 0 HD2 LYS A 38 80.559 5.558 3.920 1.00 0.25 H new ATOM 0 HD3 LYS A 38 81.920 4.671 4.578 1.00 0.25 H new ATOM 0 HE2 LYS A 38 82.974 6.744 4.573 1.00 1.03 H new ATOM 0 HE3 LYS A 38 83.239 6.421 2.871 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 81.958 8.551 3.482 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 81.289 7.576 2.263 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 80.648 7.531 3.835 1.00 1.11 H new ATOM 629 N ILE A 39 78.592 3.249 3.659 1.00 0.14 N ATOM 630 CA ILE A 39 77.649 3.442 4.810 1.00 0.14 C ATOM 631 C ILE A 39 78.399 3.954 6.036 1.00 0.13 C ATOM 632 O ILE A 39 79.558 3.641 6.240 1.00 0.13 O ATOM 633 CB ILE A 39 77.043 2.064 5.109 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.160 1.042 5.363 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.179 1.611 3.933 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.556 -0.252 5.914 1.00 0.20 C ATOM 0 H ILE A 39 79.297 2.525 3.795 1.00 0.14 H new ATOM 0 HA ILE A 39 76.880 4.175 4.565 1.00 0.14 H new ATOM 0 HB ILE A 39 76.421 2.136 6.001 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.698 0.839 4.437 1.00 0.16 H new ATOM 0 HG13 ILE A 39 78.884 1.447 6.070 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.752 0.632 4.151 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.376 2.330 3.773 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.792 1.547 3.034 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.350 -0.977 6.094 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.038 -0.042 6.850 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.849 -0.660 5.191 1.00 0.20 H new ATOM 648 N VAL A 40 77.721 4.697 6.872 1.00 0.13 N ATOM 649 CA VAL A 40 78.352 5.194 8.128 1.00 0.12 C ATOM 650 C VAL A 40 77.356 5.079 9.288 1.00 0.16 C ATOM 651 O VAL A 40 76.309 5.700 9.285 1.00 0.20 O ATOM 652 CB VAL A 40 78.691 6.666 7.856 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.379 7.272 9.083 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.637 6.768 6.653 1.00 0.16 C ATOM 0 H VAL A 40 76.751 4.982 6.736 1.00 0.13 H new ATOM 0 HA VAL A 40 79.238 4.621 8.402 1.00 0.12 H new ATOM 0 HB VAL A 40 77.769 7.208 7.644 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.618 8.317 8.887 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.712 7.208 9.943 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.297 6.723 9.294 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.874 7.815 6.464 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.555 6.220 6.865 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.155 6.341 5.774 1.00 0.16 H new ATOM 664 N LYS A 41 77.738 4.378 10.323 1.00 0.17 N ATOM 665 CA LYS A 41 76.897 4.310 11.554 1.00 0.22 C ATOM 666 C LYS A 41 77.768 4.593 12.772 1.00 0.21 C ATOM 667 O LYS A 41 78.941 4.276 12.780 1.00 0.22 O ATOM 668 CB LYS A 41 76.366 2.880 11.612 1.00 0.28 C ATOM 669 CG LYS A 41 75.410 2.745 12.800 1.00 0.54 C ATOM 670 CD LYS A 41 75.062 1.270 13.014 1.00 1.11 C ATOM 671 CE LYS A 41 74.073 1.142 14.176 1.00 1.50 C ATOM 672 NZ LYS A 41 74.902 1.269 15.406 1.00 1.98 N ATOM 0 H LYS A 41 78.606 3.844 10.368 1.00 0.17 H new ATOM 0 HA LYS A 41 76.085 5.037 11.541 1.00 0.22 H new ATOM 0 HB2 LYS A 41 75.849 2.633 10.684 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.192 2.176 11.713 1.00 0.28 H new ATOM 0 HG2 LYS A 41 75.871 3.154 13.699 1.00 0.54 H new ATOM 0 HG3 LYS A 41 74.503 3.320 12.617 1.00 0.54 H new ATOM 0 HD2 LYS A 41 74.628 0.852 12.106 1.00 1.11 H new ATOM 0 HD3 LYS A 41 75.966 0.699 13.227 1.00 1.11 H new ATOM 0 HE2 LYS A 41 73.311 1.920 14.132 1.00 1.50 H new ATOM 0 HE3 LYS A 41 73.553 0.184 14.148 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 74.292 1.191 16.245 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 75.614 0.512 15.424 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 75.379 2.193 15.409 1.00 1.98 H new ATOM 686 N TYR A 42 77.216 5.210 13.784 1.00 0.20 N ATOM 687 CA TYR A 42 78.033 5.542 14.993 1.00 0.20 C ATOM 688 C TYR A 42 77.740 4.554 16.125 1.00 0.27 C ATOM 689 O TYR A 42 76.598 4.316 16.471 1.00 0.33 O ATOM 690 CB TYR A 42 77.617 6.958 15.388 1.00 0.22 C ATOM 691 CG TYR A 42 78.622 7.512 16.369 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.914 7.929 15.905 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.290 7.617 17.761 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.875 8.453 16.832 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.251 8.143 18.689 1.00 0.25 C ATOM 696 CZ TYR A 42 80.545 8.559 18.225 1.00 0.28 C ATOM 697 OH TYR A 42 81.469 9.063 19.118 1.00 0.33 O ATOM 0 H TYR A 42 76.239 5.498 13.828 1.00 0.20 H new ATOM 0 HA TYR A 42 79.102 5.479 14.792 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.563 7.594 14.505 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.622 6.947 15.834 1.00 0.22 H new ATOM 0 HD1 TYR A 42 80.163 7.848 14.857 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.318 7.301 18.110 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.847 8.768 16.482 1.00 0.28 H new ATOM 0 HE2 TYR A 42 79.001 8.226 19.736 1.00 0.25 H new ATOM 0 HH TYR A 42 82.367 9.000 18.730 1.00 0.33 H new ATOM 707 N GLU A 43 78.771 4.006 16.727 1.00 0.29 N ATOM 708 CA GLU A 43 78.571 3.061 17.867 1.00 0.37 C ATOM 709 C GLU A 43 79.503 3.431 19.023 1.00 0.35 C ATOM 710 O GLU A 43 80.686 3.643 18.834 1.00 0.30 O ATOM 711 CB GLU A 43 78.931 1.684 17.312 1.00 0.44 C ATOM 712 CG GLU A 43 77.973 1.328 16.170 1.00 0.63 C ATOM 713 CD GLU A 43 78.266 -0.086 15.644 1.00 0.80 C ATOM 714 OE1 GLU A 43 79.355 -0.586 15.884 1.00 1.48 O ATOM 715 OE2 GLU A 43 77.391 -0.645 15.002 1.00 1.34 O ATOM 0 H GLU A 43 79.745 4.175 16.475 1.00 0.29 H new ATOM 0 HA GLU A 43 77.552 3.089 18.253 1.00 0.37 H new ATOM 0 HB2 GLU A 43 79.960 1.683 16.952 1.00 0.44 H new ATOM 0 HB3 GLU A 43 78.868 0.934 18.101 1.00 0.44 H new ATOM 0 HG2 GLU A 43 76.942 1.386 16.520 1.00 0.63 H new ATOM 0 HG3 GLU A 43 78.076 2.052 15.362 1.00 0.63 H new ATOM 722 N GLY A 44 78.970 3.535 20.216 1.00 0.41 N ATOM 723 CA GLY A 44 79.808 3.915 21.395 1.00 0.41 C ATOM 724 C GLY A 44 80.437 5.293 21.162 1.00 0.37 C ATOM 725 O GLY A 44 79.760 6.239 20.804 1.00 0.37 O ATOM 0 H GLY A 44 77.985 3.372 20.424 1.00 0.41 H new ATOM 0 HA2 GLY A 44 79.196 3.932 22.297 1.00 0.41 H new ATOM 0 HA3 GLY A 44 80.589 3.171 21.553 1.00 0.41 H new ATOM 729 N GLU A 45 81.734 5.395 21.323 1.00 0.37 N ATOM 730 CA GLU A 45 82.430 6.696 21.070 1.00 0.37 C ATOM 731 C GLU A 45 83.214 6.673 19.743 1.00 0.34 C ATOM 732 O GLU A 45 84.019 7.553 19.490 1.00 0.36 O ATOM 733 CB GLU A 45 83.371 6.897 22.273 1.00 0.44 C ATOM 734 CG GLU A 45 84.470 5.823 22.298 1.00 0.45 C ATOM 735 CD GLU A 45 85.412 6.088 23.473 1.00 0.54 C ATOM 736 OE1 GLU A 45 86.163 7.047 23.401 1.00 1.17 O ATOM 737 OE2 GLU A 45 85.369 5.327 24.425 1.00 1.27 O ATOM 0 H GLU A 45 82.342 4.632 21.619 1.00 0.37 H new ATOM 0 HA GLU A 45 81.718 7.516 20.973 1.00 0.37 H new ATOM 0 HB2 GLU A 45 83.826 7.886 22.222 1.00 0.44 H new ATOM 0 HB3 GLU A 45 82.797 6.857 23.199 1.00 0.44 H new ATOM 0 HG2 GLU A 45 84.024 4.833 22.391 1.00 0.45 H new ATOM 0 HG3 GLU A 45 85.027 5.835 21.361 1.00 0.45 H new ATOM 744 N GLU A 46 83.008 5.675 18.908 1.00 0.31 N ATOM 745 CA GLU A 46 83.768 5.604 17.619 1.00 0.30 C ATOM 746 C GLU A 46 82.813 5.345 16.432 1.00 0.25 C ATOM 747 O GLU A 46 81.976 4.466 16.510 1.00 0.25 O ATOM 748 CB GLU A 46 84.753 4.439 17.792 1.00 0.38 C ATOM 749 CG GLU A 46 83.993 3.137 18.075 1.00 0.41 C ATOM 750 CD GLU A 46 84.995 2.011 18.343 1.00 0.63 C ATOM 751 OE1 GLU A 46 86.032 2.291 18.922 1.00 1.19 O ATOM 752 OE2 GLU A 46 84.707 0.887 17.966 1.00 1.37 O ATOM 0 H GLU A 46 82.349 4.912 19.065 1.00 0.31 H new ATOM 0 HA GLU A 46 84.283 6.540 17.401 1.00 0.30 H new ATOM 0 HB2 GLU A 46 85.357 4.327 16.891 1.00 0.38 H new ATOM 0 HB3 GLU A 46 85.439 4.653 18.611 1.00 0.38 H new ATOM 0 HG2 GLU A 46 83.336 3.266 18.935 1.00 0.41 H new ATOM 0 HG3 GLU A 46 83.360 2.881 17.226 1.00 0.41 H new ATOM 759 N PRO A 47 83.007 6.057 15.332 1.00 0.25 N ATOM 760 CA PRO A 47 82.196 5.791 14.120 1.00 0.21 C ATOM 761 C PRO A 47 82.668 4.504 13.428 1.00 0.27 C ATOM 762 O PRO A 47 83.851 4.298 13.229 1.00 0.34 O ATOM 763 CB PRO A 47 82.432 7.009 13.217 1.00 0.24 C ATOM 764 CG PRO A 47 83.370 7.920 13.953 1.00 0.33 C ATOM 765 CD PRO A 47 83.959 7.154 15.107 1.00 0.31 C ATOM 0 HA PRO A 47 81.140 5.650 14.352 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.859 6.705 12.261 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.492 7.516 12.999 1.00 0.24 H new ATOM 0 HG2 PRO A 47 84.159 8.272 13.288 1.00 0.33 H new ATOM 0 HG3 PRO A 47 82.840 8.802 14.313 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.953 6.776 14.869 1.00 0.31 H new ATOM 0 HD3 PRO A 47 84.060 7.782 15.992 1.00 0.31 H new ATOM 773 N LYS A 48 81.743 3.726 12.920 1.00 0.26 N ATOM 774 CA LYS A 48 82.111 2.551 12.070 1.00 0.35 C ATOM 775 C LYS A 48 81.670 2.807 10.626 1.00 0.28 C ATOM 776 O LYS A 48 80.609 3.353 10.389 1.00 0.24 O ATOM 777 CB LYS A 48 81.338 1.370 12.659 1.00 0.45 C ATOM 778 CG LYS A 48 81.761 1.145 14.111 1.00 0.60 C ATOM 779 CD LYS A 48 83.196 0.621 14.141 1.00 0.47 C ATOM 780 CE LYS A 48 83.560 0.205 15.567 1.00 0.48 C ATOM 781 NZ LYS A 48 83.279 -1.257 15.624 1.00 1.10 N ATOM 0 H LYS A 48 80.741 3.856 13.059 1.00 0.26 H new ATOM 0 HA LYS A 48 83.185 2.365 12.059 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.267 1.564 12.609 1.00 0.45 H new ATOM 0 HB3 LYS A 48 81.527 0.471 12.072 1.00 0.45 H new ATOM 0 HG2 LYS A 48 81.690 2.077 14.672 1.00 0.60 H new ATOM 0 HG3 LYS A 48 81.091 0.432 14.591 1.00 0.60 H new ATOM 0 HD2 LYS A 48 83.298 -0.229 13.466 1.00 0.47 H new ATOM 0 HD3 LYS A 48 83.883 1.391 13.789 1.00 0.47 H new ATOM 0 HE2 LYS A 48 84.607 0.415 15.784 1.00 0.48 H new ATOM 0 HE3 LYS A 48 82.967 0.750 16.301 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 83.504 -1.617 16.573 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 82.273 -1.425 15.420 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 83.863 -1.750 14.919 1.00 1.10 H new ATOM 795 N GLU A 49 82.498 2.470 9.668 1.00 0.26 N ATOM 796 CA GLU A 49 82.157 2.758 8.238 1.00 0.20 C ATOM 797 C GLU A 49 82.444 1.543 7.352 1.00 0.19 C ATOM 798 O GLU A 49 83.171 0.643 7.733 1.00 0.21 O ATOM 799 CB GLU A 49 83.055 3.931 7.845 1.00 0.25 C ATOM 800 CG GLU A 49 82.726 5.146 8.721 1.00 0.80 C ATOM 801 CD GLU A 49 83.564 6.361 8.290 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.576 6.170 7.632 1.00 1.42 O ATOM 803 OE2 GLU A 49 83.180 7.466 8.637 1.00 0.96 O ATOM 0 H GLU A 49 83.396 2.008 9.813 1.00 0.26 H new ATOM 0 HA GLU A 49 81.099 2.989 8.113 1.00 0.20 H new ATOM 0 HB2 GLU A 49 84.103 3.656 7.965 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.909 4.178 6.793 1.00 0.25 H new ATOM 0 HG2 GLU A 49 81.665 5.382 8.643 1.00 0.80 H new ATOM 0 HG3 GLU A 49 82.924 4.912 9.767 1.00 0.80 H new ATOM 810 N GLY A 50 81.907 1.540 6.157 1.00 0.16 N ATOM 811 CA GLY A 50 82.171 0.420 5.208 1.00 0.16 C ATOM 812 C GLY A 50 81.889 0.884 3.778 1.00 0.15 C ATOM 813 O GLY A 50 80.881 1.504 3.516 1.00 0.17 O ATOM 0 H GLY A 50 81.293 2.271 5.798 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.206 0.091 5.297 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.542 -0.435 5.455 1.00 0.16 H new ATOM 817 N THR A 51 82.759 0.557 2.853 1.00 0.14 N ATOM 818 CA THR A 51 82.531 0.950 1.426 1.00 0.14 C ATOM 819 C THR A 51 82.646 -0.281 0.525 1.00 0.13 C ATOM 820 O THR A 51 83.567 -1.067 0.661 1.00 0.15 O ATOM 821 CB THR A 51 83.648 1.946 1.098 1.00 0.16 C ATOM 822 OG1 THR A 51 83.858 2.810 2.206 1.00 0.18 O ATOM 823 CG2 THR A 51 83.251 2.774 -0.126 1.00 0.21 C ATOM 0 H THR A 51 83.618 0.034 3.025 1.00 0.14 H new ATOM 0 HA THR A 51 81.542 1.381 1.271 1.00 0.14 H new ATOM 0 HB THR A 51 84.567 1.400 0.886 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.574 3.445 1.995 1.00 0.18 H new ATOM 0 HG21 THR A 51 84.046 3.483 -0.359 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.094 2.112 -0.978 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.330 3.318 0.086 1.00 0.21 H new ATOM 831 N PHE A 52 81.754 -0.423 -0.430 1.00 0.12 N ATOM 832 CA PHE A 52 81.857 -1.573 -1.381 1.00 0.13 C ATOM 833 C PHE A 52 81.132 -1.259 -2.705 1.00 0.11 C ATOM 834 O PHE A 52 80.385 -0.302 -2.800 1.00 0.10 O ATOM 835 CB PHE A 52 81.228 -2.771 -0.632 1.00 0.14 C ATOM 836 CG PHE A 52 79.715 -2.656 -0.559 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.100 -1.674 0.287 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.902 -3.530 -1.354 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.669 -1.568 0.337 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.474 -3.423 -1.305 1.00 0.14 C ATOM 841 CZ PHE A 52 76.856 -2.445 -0.461 1.00 0.15 C ATOM 0 H PHE A 52 80.966 0.204 -0.589 1.00 0.12 H new ATOM 0 HA PHE A 52 82.887 -1.788 -1.666 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.499 -3.698 -1.137 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.638 -2.826 0.376 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.712 -1.016 0.885 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.366 -4.269 -1.990 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.204 -0.830 0.974 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.863 -4.081 -1.905 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.780 -2.366 -0.424 1.00 0.15 H new ATOM 851 N THR A 53 81.253 -2.139 -3.669 1.00 0.12 N ATOM 852 CA THR A 53 80.467 -1.993 -4.931 1.00 0.11 C ATOM 853 C THR A 53 79.352 -3.039 -4.959 1.00 0.11 C ATOM 854 O THR A 53 79.522 -4.145 -4.477 1.00 0.12 O ATOM 855 CB THR A 53 81.469 -2.246 -6.059 1.00 0.11 C ATOM 856 OG1 THR A 53 82.560 -1.345 -5.932 1.00 0.13 O ATOM 857 CG2 THR A 53 80.783 -2.035 -7.410 1.00 0.11 C ATOM 0 H THR A 53 81.865 -2.954 -3.635 1.00 0.12 H new ATOM 0 HA THR A 53 79.999 -1.013 -5.023 1.00 0.11 H new ATOM 0 HB THR A 53 81.836 -3.271 -5.997 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.204 -1.507 -6.653 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.498 -2.215 -8.213 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.947 -2.728 -7.506 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.415 -1.011 -7.475 1.00 0.11 H new ATOM 865 N ALA A 54 78.187 -2.668 -5.435 1.00 0.11 N ATOM 866 CA ALA A 54 77.025 -3.606 -5.397 1.00 0.13 C ATOM 867 C ALA A 54 76.195 -3.490 -6.676 1.00 0.13 C ATOM 868 O ALA A 54 76.006 -2.412 -7.204 1.00 0.11 O ATOM 869 CB ALA A 54 76.203 -3.164 -4.182 1.00 0.14 C ATOM 0 H ALA A 54 77.993 -1.756 -5.848 1.00 0.11 H new ATOM 0 HA ALA A 54 77.341 -4.647 -5.325 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.327 -3.805 -4.083 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.813 -3.241 -3.282 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.883 -2.131 -4.316 1.00 0.14 H new ATOM 875 N ARG A 55 75.629 -4.585 -7.117 1.00 0.15 N ATOM 876 CA ARG A 55 74.721 -4.544 -8.300 1.00 0.15 C ATOM 877 C ARG A 55 73.275 -4.383 -7.832 1.00 0.15 C ATOM 878 O ARG A 55 72.894 -4.890 -6.792 1.00 0.16 O ATOM 879 CB ARG A 55 74.908 -5.889 -9.001 1.00 0.19 C ATOM 880 CG ARG A 55 74.295 -5.823 -10.402 1.00 0.27 C ATOM 881 CD ARG A 55 74.344 -7.211 -11.046 1.00 0.45 C ATOM 882 NE ARG A 55 73.988 -6.989 -12.484 1.00 0.90 N ATOM 883 CZ ARG A 55 73.540 -7.970 -13.249 1.00 1.48 C ATOM 884 NH1 ARG A 55 73.383 -9.195 -12.792 1.00 1.67 N ATOM 885 NH2 ARG A 55 73.246 -7.718 -14.495 1.00 2.21 N ATOM 0 H ARG A 55 75.758 -5.509 -6.705 1.00 0.15 H new ATOM 0 HA ARG A 55 74.945 -3.710 -8.966 1.00 0.15 H new ATOM 0 HB2 ARG A 55 75.968 -6.132 -9.067 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.435 -6.682 -8.422 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.264 -5.474 -10.344 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.840 -5.106 -11.016 1.00 0.27 H new ATOM 0 HD2 ARG A 55 75.335 -7.655 -10.950 1.00 0.45 H new ATOM 0 HD3 ARG A 55 73.641 -7.893 -10.567 1.00 0.45 H new ATOM 0 HE ARG A 55 74.094 -6.057 -12.884 1.00 0.90 H new ATOM 0 HH11 ARG A 55 73.609 -9.410 -11.821 1.00 1.67 H new ATOM 0 HH12 ARG A 55 73.035 -9.929 -13.409 1.00 1.67 H new ATOM 0 HH21 ARG A 55 73.363 -6.775 -14.866 1.00 2.21 H new ATOM 0 HH22 ARG A 55 72.899 -8.464 -15.098 1.00 2.21 H new ATOM 899 N VAL A 56 72.474 -3.679 -8.588 1.00 0.14 N ATOM 900 CA VAL A 56 71.047 -3.475 -8.194 1.00 0.14 C ATOM 901 C VAL A 56 70.234 -4.724 -8.525 1.00 0.15 C ATOM 902 O VAL A 56 70.215 -5.184 -9.652 1.00 0.17 O ATOM 903 CB VAL A 56 70.570 -2.272 -9.017 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.081 -1.989 -8.742 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.402 -1.048 -8.632 1.00 0.17 C ATOM 0 H VAL A 56 72.747 -3.235 -9.465 1.00 0.14 H new ATOM 0 HA VAL A 56 70.930 -3.296 -7.125 1.00 0.14 H new ATOM 0 HB VAL A 56 70.692 -2.491 -10.078 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.758 -1.132 -9.334 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.488 -2.862 -9.014 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.941 -1.772 -7.683 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.071 -0.186 -9.212 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.275 -0.841 -7.569 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.454 -1.243 -8.840 1.00 0.17 H new ATOM 915 N GLY A 57 69.546 -5.247 -7.548 1.00 0.16 N ATOM 916 CA GLY A 57 68.698 -6.450 -7.776 1.00 0.19 C ATOM 917 C GLY A 57 67.228 -6.043 -7.867 1.00 0.18 C ATOM 918 O GLY A 57 66.894 -4.874 -7.979 1.00 0.16 O ATOM 0 H GLY A 57 69.535 -4.889 -6.593 1.00 0.16 H new ATOM 0 HA2 GLY A 57 69.003 -6.951 -8.695 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.837 -7.163 -6.963 1.00 0.19 H new ATOM 922 N GLU A 58 66.349 -7.007 -7.810 1.00 0.21 N ATOM 923 CA GLU A 58 64.887 -6.706 -7.890 1.00 0.22 C ATOM 924 C GLU A 58 64.466 -5.818 -6.715 1.00 0.22 C ATOM 925 O GLU A 58 65.082 -5.823 -5.666 1.00 0.24 O ATOM 926 CB GLU A 58 64.187 -8.067 -7.815 1.00 0.27 C ATOM 927 CG GLU A 58 62.681 -7.887 -8.042 1.00 0.81 C ATOM 928 CD GLU A 58 61.942 -9.230 -7.897 1.00 0.80 C ATOM 929 OE1 GLU A 58 62.574 -10.218 -7.544 1.00 1.28 O ATOM 930 OE2 GLU A 58 60.746 -9.246 -8.140 1.00 1.39 O ATOM 0 H GLU A 58 66.580 -7.996 -7.711 1.00 0.21 H new ATOM 0 HA GLU A 58 64.628 -6.170 -8.803 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.600 -8.741 -8.566 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.366 -8.526 -6.842 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.284 -7.169 -7.325 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.505 -7.475 -9.036 1.00 0.81 H new ATOM 937 N GLN A 59 63.427 -5.043 -6.896 1.00 0.25 N ATOM 938 CA GLN A 59 62.938 -4.128 -5.812 1.00 0.30 C ATOM 939 C GLN A 59 64.055 -3.219 -5.275 1.00 0.23 C ATOM 940 O GLN A 59 63.885 -2.592 -4.245 1.00 0.23 O ATOM 941 CB GLN A 59 62.418 -5.048 -4.701 1.00 0.37 C ATOM 942 CG GLN A 59 61.065 -5.632 -5.115 1.00 0.46 C ATOM 943 CD GLN A 59 60.582 -6.611 -4.045 1.00 0.56 C ATOM 944 OE1 GLN A 59 60.045 -6.206 -3.033 1.00 0.82 O ATOM 945 NE2 GLN A 59 60.752 -7.891 -4.228 1.00 0.81 N ATOM 0 H GLN A 59 62.887 -5.003 -7.760 1.00 0.25 H new ATOM 0 HA GLN A 59 62.166 -3.459 -6.192 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.131 -5.851 -4.515 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.316 -4.490 -3.770 1.00 0.37 H new ATOM 0 HG2 GLN A 59 60.337 -4.832 -5.246 1.00 0.46 H new ATOM 0 HG3 GLN A 59 61.155 -6.141 -6.075 1.00 0.46 H new ATOM 0 HE21 GLN A 59 61.203 -8.229 -5.078 1.00 0.81 H new ATOM 0 HE22 GLN A 59 60.434 -8.554 -3.521 1.00 0.81 H new ATOM 954 N GLY A 60 65.117 -3.010 -6.032 1.00 0.19 N ATOM 955 CA GLY A 60 66.131 -1.984 -5.623 1.00 0.16 C ATOM 956 C GLY A 60 66.968 -2.483 -4.441 1.00 0.12 C ATOM 957 O GLY A 60 67.521 -1.688 -3.695 1.00 0.12 O ATOM 0 H GLY A 60 65.319 -3.501 -6.903 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.784 -1.756 -6.466 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.627 -1.057 -5.351 1.00 0.16 H new ATOM 961 N SER A 61 67.015 -3.776 -4.220 1.00 0.14 N ATOM 962 CA SER A 61 67.768 -4.311 -3.044 1.00 0.16 C ATOM 963 C SER A 61 69.273 -4.321 -3.337 1.00 0.15 C ATOM 964 O SER A 61 69.693 -4.598 -4.445 1.00 0.18 O ATOM 965 CB SER A 61 67.251 -5.735 -2.844 1.00 0.21 C ATOM 966 OG SER A 61 67.788 -6.576 -3.857 1.00 1.30 O ATOM 0 H SER A 61 66.565 -4.482 -4.803 1.00 0.14 H new ATOM 0 HA SER A 61 67.621 -3.700 -2.153 1.00 0.16 H new ATOM 0 HB2 SER A 61 67.538 -6.104 -1.859 1.00 0.21 H new ATOM 0 HB3 SER A 61 66.162 -5.748 -2.884 1.00 0.21 H new ATOM 0 HG SER A 61 67.460 -7.491 -3.731 1.00 1.30 H new ATOM 972 N VAL A 62 70.076 -4.110 -2.326 1.00 0.14 N ATOM 973 CA VAL A 62 71.558 -4.204 -2.492 1.00 0.15 C ATOM 974 C VAL A 62 72.167 -4.917 -1.276 1.00 0.14 C ATOM 975 O VAL A 62 71.630 -4.848 -0.186 1.00 0.14 O ATOM 976 CB VAL A 62 72.045 -2.752 -2.595 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.675 -1.977 -1.327 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.564 -2.733 -2.773 1.00 0.21 C ATOM 0 H VAL A 62 69.765 -3.874 -1.383 1.00 0.14 H new ATOM 0 HA VAL A 62 71.851 -4.777 -3.372 1.00 0.15 H new ATOM 0 HB VAL A 62 71.566 -2.281 -3.453 1.00 0.17 H new ATOM 0 HG11 VAL A 62 72.026 -0.949 -1.413 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.592 -1.981 -1.201 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.143 -2.449 -0.463 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.909 -1.702 -2.846 1.00 0.21 H new ATOM 0 HG22 VAL A 62 74.037 -3.214 -1.917 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.830 -3.270 -3.683 1.00 0.21 H new ATOM 988 N ILE A 63 73.218 -5.679 -1.475 1.00 0.16 N ATOM 989 CA ILE A 63 73.787 -6.491 -0.350 1.00 0.17 C ATOM 990 C ILE A 63 75.154 -5.944 0.077 1.00 0.16 C ATOM 991 O ILE A 63 76.103 -5.969 -0.685 1.00 0.19 O ATOM 992 CB ILE A 63 73.937 -7.916 -0.907 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.588 -8.437 -1.444 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.438 -8.850 0.199 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.528 -8.434 -0.334 1.00 0.34 C ATOM 0 H ILE A 63 73.706 -5.774 -2.366 1.00 0.16 H new ATOM 0 HA ILE A 63 73.144 -6.461 0.530 1.00 0.17 H new ATOM 0 HB ILE A 63 74.655 -7.893 -1.727 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.255 -7.813 -2.274 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.711 -9.447 -1.834 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.544 -9.860 -0.198 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.404 -8.499 0.561 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.723 -8.856 1.022 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.583 -8.805 -0.732 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.855 -9.077 0.483 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.392 -7.418 0.036 1.00 0.34 H new ATOM 1007 N ILE A 64 75.293 -5.602 1.338 1.00 0.15 N ATOM 1008 CA ILE A 64 76.638 -5.228 1.880 1.00 0.16 C ATOM 1009 C ILE A 64 77.459 -6.506 2.143 1.00 0.18 C ATOM 1010 O ILE A 64 76.902 -7.507 2.535 1.00 0.20 O ATOM 1011 CB ILE A 64 76.348 -4.487 3.191 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.513 -3.236 2.897 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.663 -4.069 3.856 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.909 -2.707 4.199 1.00 0.32 C ATOM 0 H ILE A 64 74.531 -5.566 2.015 1.00 0.15 H new ATOM 0 HA ILE A 64 77.214 -4.610 1.191 1.00 0.16 H new ATOM 0 HB ILE A 64 75.799 -5.149 3.860 1.00 0.19 H new ATOM 0 HG12 ILE A 64 76.136 -2.470 2.436 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.721 -3.473 2.187 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.449 -3.543 4.787 1.00 0.34 H new ATOM 0 HG22 ILE A 64 78.261 -4.955 4.069 1.00 0.34 H new ATOM 0 HG23 ILE A 64 78.216 -3.411 3.186 1.00 0.34 H new ATOM 0 HD11 ILE A 64 74.315 -1.817 3.990 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.272 -3.472 4.642 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.709 -2.454 4.895 1.00 0.32 H new ATOM 1026 N PRO A 65 78.758 -6.447 1.926 1.00 0.19 N ATOM 1027 CA PRO A 65 79.617 -7.647 2.156 1.00 0.23 C ATOM 1028 C PRO A 65 79.624 -8.034 3.640 1.00 0.26 C ATOM 1029 O PRO A 65 79.746 -7.194 4.512 1.00 0.23 O ATOM 1030 CB PRO A 65 80.997 -7.175 1.699 1.00 0.26 C ATOM 1031 CG PRO A 65 80.943 -5.701 1.897 1.00 0.24 C ATOM 1032 CD PRO A 65 79.564 -5.300 1.468 1.00 0.21 C ATOM 0 HA PRO A 65 79.274 -8.535 1.625 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.793 -7.630 2.289 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.185 -7.433 0.657 1.00 0.26 H new ATOM 0 HG2 PRO A 65 81.124 -5.436 2.939 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.704 -5.195 1.302 1.00 0.24 H new ATOM 0 HD2 PRO A 65 79.247 -4.366 1.933 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.497 -5.158 0.389 1.00 0.21 H new ATOM 1040 N LYS A 66 79.499 -9.308 3.928 1.00 0.41 N ATOM 1041 CA LYS A 66 79.498 -9.778 5.357 1.00 0.51 C ATOM 1042 C LYS A 66 80.755 -9.296 6.088 1.00 0.44 C ATOM 1043 O LYS A 66 80.727 -9.016 7.271 1.00 0.42 O ATOM 1044 CB LYS A 66 79.479 -11.306 5.281 1.00 0.69 C ATOM 1045 CG LYS A 66 79.340 -11.886 6.690 1.00 0.96 C ATOM 1046 CD LYS A 66 79.384 -13.414 6.620 1.00 1.31 C ATOM 1047 CE LYS A 66 79.085 -13.997 8.003 1.00 1.89 C ATOM 1048 NZ LYS A 66 78.990 -15.468 7.787 1.00 2.62 N ATOM 0 H LYS A 66 79.397 -10.048 3.234 1.00 0.41 H new ATOM 0 HA LYS A 66 78.644 -9.386 5.909 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.651 -11.639 4.656 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.395 -11.669 4.816 1.00 0.69 H new ATOM 0 HG2 LYS A 66 80.144 -11.517 7.327 1.00 0.96 H new ATOM 0 HG3 LYS A 66 78.402 -11.559 7.138 1.00 0.96 H new ATOM 0 HD2 LYS A 66 78.655 -13.777 5.895 1.00 1.31 H new ATOM 0 HD3 LYS A 66 80.365 -13.745 6.278 1.00 1.31 H new ATOM 0 HE2 LYS A 66 79.874 -13.752 8.714 1.00 1.89 H new ATOM 0 HE3 LYS A 66 78.156 -13.596 8.408 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 78.786 -15.939 8.691 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 78.226 -15.671 7.111 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 79.891 -15.822 7.407 1.00 2.62 H new ATOM 1062 N ALA A 67 81.859 -9.221 5.388 1.00 0.43 N ATOM 1063 CA ALA A 67 83.141 -8.785 6.033 1.00 0.40 C ATOM 1064 C ALA A 67 82.986 -7.384 6.630 1.00 0.30 C ATOM 1065 O ALA A 67 83.487 -7.098 7.705 1.00 0.28 O ATOM 1066 CB ALA A 67 84.180 -8.774 4.908 1.00 0.45 C ATOM 0 H ALA A 67 81.930 -9.443 4.395 1.00 0.43 H new ATOM 0 HA ALA A 67 83.433 -9.449 6.847 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.145 -8.464 5.307 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.267 -9.774 4.484 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.868 -8.076 4.131 1.00 0.45 H new ATOM 1072 N LEU A 68 82.269 -6.522 5.953 1.00 0.27 N ATOM 1073 CA LEU A 68 82.054 -5.142 6.481 1.00 0.23 C ATOM 1074 C LEU A 68 81.003 -5.152 7.592 1.00 0.22 C ATOM 1075 O LEU A 68 81.096 -4.388 8.534 1.00 0.22 O ATOM 1076 CB LEU A 68 81.581 -4.302 5.288 1.00 0.28 C ATOM 1077 CG LEU A 68 82.732 -4.105 4.288 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.241 -3.264 3.107 1.00 1.24 C ATOM 1079 CD2 LEU A 68 83.899 -3.373 4.964 1.00 1.82 C ATOM 0 H LEU A 68 81.823 -6.716 5.056 1.00 0.27 H new ATOM 0 HA LEU A 68 82.966 -4.732 6.915 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.743 -4.795 4.796 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.222 -3.333 5.636 1.00 0.28 H new ATOM 0 HG LEU A 68 83.068 -5.082 3.941 1.00 0.99 H new ATOM 0 HD11 LEU A 68 83.056 -3.123 2.397 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.415 -3.776 2.614 1.00 1.24 H new ATOM 0 HD13 LEU A 68 81.902 -2.293 3.468 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.709 -3.239 4.247 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.562 -2.398 5.317 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.257 -3.961 5.809 1.00 1.82 H new ATOM 1091 N ARG A 69 80.022 -6.028 7.515 1.00 0.25 N ATOM 1092 CA ARG A 69 78.986 -6.094 8.603 1.00 0.28 C ATOM 1093 C ARG A 69 79.663 -6.369 9.948 1.00 0.25 C ATOM 1094 O ARG A 69 79.311 -5.794 10.961 1.00 0.26 O ATOM 1095 CB ARG A 69 78.086 -7.290 8.273 1.00 0.35 C ATOM 1096 CG ARG A 69 77.456 -7.168 6.885 1.00 0.46 C ATOM 1097 CD ARG A 69 76.385 -8.259 6.753 1.00 0.56 C ATOM 1098 NE ARG A 69 76.334 -8.615 5.300 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.883 -9.793 4.890 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.430 -10.698 5.730 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.877 -10.058 3.614 1.00 2.30 N ATOM 0 H ARG A 69 79.895 -6.694 6.753 1.00 0.25 H new ATOM 0 HA ARG A 69 78.430 -5.158 8.664 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.670 -8.209 8.326 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.299 -7.369 9.023 1.00 0.35 H new ATOM 0 HG2 ARG A 69 77.013 -6.181 6.753 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.215 -7.283 6.111 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.638 -9.129 7.359 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.417 -7.899 7.101 1.00 0.56 H new ATOM 0 HE ARG A 69 76.653 -7.936 4.609 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.418 -10.504 6.731 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.090 -11.594 5.380 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.216 -9.364 2.947 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.533 -10.959 3.282 1.00 2.30 H new ATOM 1115 N ASP A 70 80.570 -7.313 9.963 1.00 0.25 N ATOM 1116 CA ASP A 70 81.217 -7.724 11.247 1.00 0.25 C ATOM 1117 C ASP A 70 82.143 -6.620 11.756 1.00 0.22 C ATOM 1118 O ASP A 70 82.113 -6.269 12.920 1.00 0.22 O ATOM 1119 CB ASP A 70 82.023 -8.985 10.915 1.00 0.27 C ATOM 1120 CG ASP A 70 81.076 -10.107 10.473 1.00 0.91 C ATOM 1121 OD1 ASP A 70 79.944 -10.121 10.930 1.00 1.56 O ATOM 1122 OD2 ASP A 70 81.504 -10.939 9.690 1.00 1.68 O ATOM 0 H ASP A 70 80.892 -7.819 9.138 1.00 0.25 H new ATOM 0 HA ASP A 70 80.480 -7.908 12.029 1.00 0.25 H new ATOM 0 HB2 ASP A 70 82.741 -8.770 10.124 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.595 -9.302 11.787 1.00 0.27 H new ATOM 1127 N VAL A 71 82.972 -6.082 10.895 1.00 0.21 N ATOM 1128 CA VAL A 71 83.935 -5.018 11.336 1.00 0.21 C ATOM 1129 C VAL A 71 83.164 -3.809 11.882 1.00 0.21 C ATOM 1130 O VAL A 71 83.599 -3.156 12.813 1.00 0.22 O ATOM 1131 CB VAL A 71 84.721 -4.645 10.068 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.681 -3.487 10.355 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.523 -5.859 9.595 1.00 0.28 C ATOM 0 H VAL A 71 83.026 -6.331 9.907 1.00 0.21 H new ATOM 0 HA VAL A 71 84.597 -5.355 12.134 1.00 0.21 H new ATOM 0 HB VAL A 71 84.017 -4.337 9.295 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.229 -3.236 9.447 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.114 -2.618 10.689 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.384 -3.782 11.134 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.082 -5.598 8.696 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.217 -6.164 10.378 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.842 -6.681 9.373 1.00 0.28 H new ATOM 1143 N ILE A 72 82.064 -3.481 11.266 1.00 0.21 N ATOM 1144 CA ILE A 72 81.287 -2.274 11.686 1.00 0.22 C ATOM 1145 C ILE A 72 80.380 -2.595 12.890 1.00 0.22 C ATOM 1146 O ILE A 72 79.977 -1.702 13.614 1.00 0.23 O ATOM 1147 CB ILE A 72 80.455 -1.888 10.452 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.394 -1.579 9.280 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.611 -0.643 10.755 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.574 -1.346 8.010 1.00 0.28 C ATOM 0 H ILE A 72 81.664 -3.999 10.483 1.00 0.21 H new ATOM 0 HA ILE A 72 81.937 -1.460 12.008 1.00 0.22 H new ATOM 0 HB ILE A 72 79.797 -2.718 10.195 1.00 0.24 H new ATOM 0 HG12 ILE A 72 81.993 -0.697 9.504 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.088 -2.406 9.130 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.025 -0.377 9.875 1.00 0.27 H new ATOM 0 HG22 ILE A 72 78.940 -0.852 11.588 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.268 0.187 11.018 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.245 -1.127 7.179 1.00 0.28 H new ATOM 0 HD12 ILE A 72 79.994 -2.240 7.782 1.00 0.28 H new ATOM 0 HD13 ILE A 72 79.898 -0.505 8.163 1.00 0.28 H new ATOM 1162 N GLY A 73 80.117 -3.861 13.159 1.00 0.21 N ATOM 1163 CA GLY A 73 79.309 -4.219 14.368 1.00 0.21 C ATOM 1164 C GLY A 73 77.827 -3.939 14.100 1.00 0.20 C ATOM 1165 O GLY A 73 77.124 -3.436 14.957 1.00 0.22 O ATOM 0 H GLY A 73 80.427 -4.652 12.595 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.452 -5.271 14.614 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.648 -3.642 15.228 1.00 0.21 H new ATOM 1169 N ILE A 74 77.383 -4.149 12.884 1.00 0.20 N ATOM 1170 CA ILE A 74 75.981 -3.768 12.511 1.00 0.21 C ATOM 1171 C ILE A 74 75.021 -4.944 12.736 1.00 0.21 C ATOM 1172 O ILE A 74 75.370 -6.092 12.537 1.00 0.23 O ATOM 1173 CB ILE A 74 76.042 -3.396 11.022 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.065 -2.266 10.794 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.660 -2.937 10.549 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.688 -1.021 11.610 1.00 0.77 C ATOM 0 H ILE A 74 77.930 -4.568 12.132 1.00 0.20 H new ATOM 0 HA ILE A 74 75.611 -2.943 13.120 1.00 0.21 H new ATOM 0 HB ILE A 74 76.351 -4.273 10.453 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.060 -2.607 11.079 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.106 -2.014 9.734 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.706 -2.674 9.492 1.00 0.27 H new ATOM 0 HG22 ILE A 74 73.940 -3.743 10.691 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.348 -2.067 11.127 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.423 -0.235 11.435 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.702 -0.671 11.305 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.671 -1.272 12.670 1.00 0.77 H new ATOM 1188 N LYS A 75 73.825 -4.654 13.188 1.00 0.22 N ATOM 1189 CA LYS A 75 72.833 -5.735 13.480 1.00 0.24 C ATOM 1190 C LYS A 75 71.476 -5.425 12.817 1.00 0.24 C ATOM 1191 O LYS A 75 71.180 -4.280 12.532 1.00 0.23 O ATOM 1192 CB LYS A 75 72.694 -5.738 15.004 1.00 0.29 C ATOM 1193 CG LYS A 75 73.936 -6.377 15.632 1.00 1.19 C ATOM 1194 CD LYS A 75 74.926 -5.282 16.046 1.00 1.71 C ATOM 1195 CE LYS A 75 74.747 -4.961 17.532 1.00 2.52 C ATOM 1196 NZ LYS A 75 73.357 -4.438 17.648 1.00 3.21 N ATOM 0 H LYS A 75 73.491 -3.707 13.368 1.00 0.22 H new ATOM 0 HA LYS A 75 73.156 -6.701 13.092 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.573 -4.719 15.370 1.00 0.29 H new ATOM 0 HB3 LYS A 75 71.801 -6.290 15.297 1.00 0.29 H new ATOM 0 HG2 LYS A 75 73.652 -6.971 16.500 1.00 1.19 H new ATOM 0 HG3 LYS A 75 74.406 -7.056 14.921 1.00 1.19 H new ATOM 0 HD2 LYS A 75 75.948 -5.611 15.855 1.00 1.71 H new ATOM 0 HD3 LYS A 75 74.763 -4.385 15.448 1.00 1.71 H new ATOM 0 HE2 LYS A 75 74.887 -5.850 18.148 1.00 2.52 H new ATOM 0 HE3 LYS A 75 75.476 -4.223 17.867 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 73.240 -3.964 18.566 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 73.177 -3.758 16.882 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 72.682 -5.226 17.577 1.00 3.21 H new ATOM 1210 N PRO A 76 70.659 -6.449 12.623 1.00 0.25 N ATOM 1211 CA PRO A 76 69.307 -6.236 12.031 1.00 0.26 C ATOM 1212 C PRO A 76 68.505 -5.189 12.824 1.00 0.24 C ATOM 1213 O PRO A 76 68.404 -5.260 14.034 1.00 0.23 O ATOM 1214 CB PRO A 76 68.633 -7.604 12.131 1.00 0.29 C ATOM 1215 CG PRO A 76 69.740 -8.594 12.306 1.00 0.50 C ATOM 1216 CD PRO A 76 70.907 -7.872 12.921 1.00 0.28 C ATOM 0 HA PRO A 76 69.365 -5.862 11.009 1.00 0.26 H new ATOM 0 HB2 PRO A 76 67.942 -7.638 12.973 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.053 -7.821 11.234 1.00 0.29 H new ATOM 0 HG2 PRO A 76 69.420 -9.417 12.945 1.00 0.50 H new ATOM 0 HG3 PRO A 76 70.021 -9.027 11.346 1.00 0.50 H new ATOM 0 HD2 PRO A 76 70.962 -8.049 13.995 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.852 -8.208 12.494 1.00 0.28 H new ATOM 1224 N GLY A 77 67.866 -4.275 12.131 1.00 0.24 N ATOM 1225 CA GLY A 77 66.981 -3.279 12.813 1.00 0.24 C ATOM 1226 C GLY A 77 67.753 -1.992 13.162 1.00 0.22 C ATOM 1227 O GLY A 77 67.182 -1.062 13.702 1.00 0.24 O ATOM 0 H GLY A 77 67.921 -4.177 11.117 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.138 -3.036 12.167 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.570 -3.717 13.722 1.00 0.24 H new ATOM 1231 N GLU A 78 69.034 -1.920 12.859 1.00 0.20 N ATOM 1232 CA GLU A 78 69.821 -0.683 13.175 1.00 0.20 C ATOM 1233 C GLU A 78 69.918 0.218 11.948 1.00 0.18 C ATOM 1234 O GLU A 78 70.138 -0.254 10.847 1.00 0.18 O ATOM 1235 CB GLU A 78 71.203 -1.175 13.593 1.00 0.20 C ATOM 1236 CG GLU A 78 71.251 -1.319 15.118 1.00 0.22 C ATOM 1237 CD GLU A 78 72.675 -1.664 15.572 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.414 -2.231 14.781 1.00 1.07 O ATOM 1239 OE2 GLU A 78 73.004 -1.354 16.706 1.00 1.11 O ATOM 0 H GLU A 78 69.565 -2.665 12.407 1.00 0.20 H new ATOM 0 HA GLU A 78 69.349 -0.093 13.961 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.419 -2.132 13.119 1.00 0.20 H new ATOM 0 HB3 GLU A 78 71.968 -0.474 13.258 1.00 0.20 H new ATOM 0 HG2 GLU A 78 70.926 -0.391 15.589 1.00 0.22 H new ATOM 0 HG3 GLU A 78 70.560 -2.098 15.439 1.00 0.22 H new ATOM 1246 N VAL A 79 69.671 1.493 12.120 1.00 0.19 N ATOM 1247 CA VAL A 79 69.634 2.417 10.945 1.00 0.18 C ATOM 1248 C VAL A 79 71.002 3.070 10.703 1.00 0.18 C ATOM 1249 O VAL A 79 71.653 3.551 11.611 1.00 0.19 O ATOM 1250 CB VAL A 79 68.557 3.467 11.280 1.00 0.20 C ATOM 1251 CG1 VAL A 79 68.977 4.336 12.476 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.337 4.365 10.061 1.00 0.21 C ATOM 0 H VAL A 79 69.494 1.933 13.023 1.00 0.19 H new ATOM 0 HA VAL A 79 69.398 1.884 10.024 1.00 0.18 H new ATOM 0 HB VAL A 79 67.637 2.944 11.542 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.196 5.067 12.687 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.128 3.703 13.351 1.00 0.24 H new ATOM 0 HG13 VAL A 79 69.906 4.856 12.240 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.576 5.111 10.291 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.270 4.866 9.805 1.00 0.21 H new ATOM 0 HG23 VAL A 79 68.008 3.759 9.217 1.00 0.21 H new ATOM 1262 N ILE A 80 71.403 3.125 9.462 1.00 0.17 N ATOM 1263 CA ILE A 80 72.685 3.788 9.087 1.00 0.17 C ATOM 1264 C ILE A 80 72.412 4.842 8.006 1.00 0.17 C ATOM 1265 O ILE A 80 71.446 4.746 7.269 1.00 0.17 O ATOM 1266 CB ILE A 80 73.585 2.661 8.550 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.926 2.000 7.334 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.805 1.615 9.645 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.885 0.981 6.717 1.00 0.18 C ATOM 0 H ILE A 80 70.885 2.730 8.677 1.00 0.17 H new ATOM 0 HA ILE A 80 73.158 4.300 9.925 1.00 0.17 H new ATOM 0 HB ILE A 80 74.545 3.082 8.251 1.00 0.17 H new ATOM 0 HG12 ILE A 80 72.000 1.508 7.633 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.661 2.757 6.596 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.442 0.817 9.263 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.285 2.083 10.504 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.845 1.198 9.948 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.413 0.514 5.853 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.799 1.485 6.402 1.00 0.18 H new ATOM 0 HD13 ILE A 80 74.128 0.217 7.455 1.00 0.18 H new ATOM 1281 N GLU A 81 73.303 5.781 7.851 1.00 0.18 N ATOM 1282 CA GLU A 81 73.168 6.786 6.756 1.00 0.18 C ATOM 1283 C GLU A 81 74.038 6.358 5.577 1.00 0.17 C ATOM 1284 O GLU A 81 75.139 5.871 5.761 1.00 0.19 O ATOM 1285 CB GLU A 81 73.676 8.097 7.358 1.00 0.20 C ATOM 1286 CG GLU A 81 73.515 9.227 6.341 1.00 0.21 C ATOM 1287 CD GLU A 81 74.090 10.520 6.921 1.00 0.23 C ATOM 1288 OE1 GLU A 81 75.112 10.445 7.585 1.00 1.04 O ATOM 1289 OE2 GLU A 81 73.500 11.563 6.694 1.00 1.14 O ATOM 0 H GLU A 81 74.127 5.897 8.441 1.00 0.18 H new ATOM 0 HA GLU A 81 72.146 6.885 6.390 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.121 8.330 8.267 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.724 7.996 7.642 1.00 0.20 H new ATOM 0 HG2 GLU A 81 74.028 8.972 5.414 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.462 9.363 6.096 1.00 0.21 H new ATOM 1296 N VAL A 82 73.476 6.362 4.396 1.00 0.16 N ATOM 1297 CA VAL A 82 74.178 5.763 3.223 1.00 0.17 C ATOM 1298 C VAL A 82 74.464 6.835 2.168 1.00 0.16 C ATOM 1299 O VAL A 82 73.592 7.586 1.774 1.00 0.17 O ATOM 1300 CB VAL A 82 73.204 4.705 2.689 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.795 4.030 1.452 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.962 3.645 3.767 1.00 0.19 C ATOM 0 H VAL A 82 72.557 6.756 4.193 1.00 0.16 H new ATOM 0 HA VAL A 82 75.143 5.330 3.487 1.00 0.17 H new ATOM 0 HB VAL A 82 72.264 5.189 2.425 1.00 0.18 H new ATOM 0 HG11 VAL A 82 73.098 3.280 1.079 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.972 4.778 0.679 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.738 3.550 1.715 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.270 2.893 3.389 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.907 3.170 4.029 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.536 4.117 4.652 1.00 0.19 H new ATOM 1312 N LEU A 83 75.684 6.887 1.704 1.00 0.16 N ATOM 1313 CA LEU A 83 76.069 7.884 0.657 1.00 0.17 C ATOM 1314 C LEU A 83 76.505 7.141 -0.610 1.00 0.15 C ATOM 1315 O LEU A 83 77.413 6.334 -0.560 1.00 0.12 O ATOM 1316 CB LEU A 83 77.278 8.655 1.229 1.00 0.21 C ATOM 1317 CG LEU A 83 77.005 9.154 2.656 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.236 9.893 3.180 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.804 10.097 2.647 1.00 0.20 C ATOM 0 H LEU A 83 76.441 6.275 2.008 1.00 0.16 H new ATOM 0 HA LEU A 83 75.242 8.549 0.409 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.155 8.008 1.230 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.508 9.503 0.584 1.00 0.21 H new ATOM 0 HG LEU A 83 76.790 8.304 3.304 1.00 0.20 H new ATOM 0 HD11 LEU A 83 78.044 10.248 4.193 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.090 9.216 3.189 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.453 10.743 2.533 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.611 10.450 3.660 1.00 0.20 H new ATOM 0 HD22 LEU A 83 76.015 10.948 2.000 1.00 0.20 H new ATOM 0 HD23 LEU A 83 74.928 9.566 2.275 1.00 0.20 H new ATOM 1331 N LEU A 84 75.973 7.500 -1.754 1.00 0.16 N ATOM 1332 CA LEU A 84 76.485 6.913 -3.035 1.00 0.15 C ATOM 1333 C LEU A 84 77.767 7.628 -3.459 1.00 0.15 C ATOM 1334 O LEU A 84 77.914 8.818 -3.254 1.00 0.17 O ATOM 1335 CB LEU A 84 75.374 7.125 -4.059 1.00 0.18 C ATOM 1336 CG LEU A 84 74.357 5.985 -3.936 1.00 0.21 C ATOM 1337 CD1 LEU A 84 72.955 6.482 -4.335 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.784 4.823 -4.850 1.00 0.28 C ATOM 0 H LEU A 84 75.211 8.170 -1.857 1.00 0.16 H new ATOM 0 HA LEU A 84 76.729 5.855 -2.935 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.886 8.085 -3.891 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.790 7.151 -5.066 1.00 0.18 H new ATOM 0 HG LEU A 84 74.323 5.640 -2.903 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.240 5.665 -4.244 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.658 7.299 -3.677 1.00 0.20 H new ATOM 0 HD13 LEU A 84 72.974 6.835 -5.366 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.063 4.010 -4.765 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.822 5.168 -5.883 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.769 4.467 -4.550 1.00 0.28 H new ATOM 1350 N LEU A 85 78.724 6.895 -3.972 1.00 0.14 N ATOM 1351 CA LEU A 85 80.040 7.508 -4.326 1.00 0.17 C ATOM 1352 C LEU A 85 80.244 7.532 -5.843 1.00 0.18 C ATOM 1353 O LEU A 85 80.948 8.382 -6.359 1.00 0.24 O ATOM 1354 CB LEU A 85 81.085 6.620 -3.651 1.00 0.22 C ATOM 1355 CG LEU A 85 81.367 7.149 -2.244 1.00 0.89 C ATOM 1356 CD1 LEU A 85 82.120 6.088 -1.440 1.00 1.13 C ATOM 1357 CD2 LEU A 85 82.219 8.417 -2.339 1.00 1.60 C ATOM 0 H LEU A 85 78.649 5.895 -4.161 1.00 0.14 H new ATOM 0 HA LEU A 85 80.108 8.544 -3.994 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.727 5.592 -3.600 1.00 0.22 H new ATOM 0 HB3 LEU A 85 82.003 6.609 -4.238 1.00 0.22 H new ATOM 0 HG LEU A 85 80.425 7.379 -1.747 1.00 0.89 H new ATOM 0 HD11 LEU A 85 82.321 6.466 -0.437 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.514 5.184 -1.373 1.00 1.13 H new ATOM 0 HD13 LEU A 85 83.063 5.857 -1.936 1.00 1.13 H new ATOM 0 HD21 LEU A 85 82.421 8.796 -1.337 1.00 1.60 H new ATOM 0 HD22 LEU A 85 83.161 8.186 -2.836 1.00 1.60 H new ATOM 0 HD23 LEU A 85 81.683 9.174 -2.911 1.00 1.60 H new ATOM 1369 N GLY A 86 79.686 6.576 -6.553 1.00 0.16 N ATOM 1370 CA GLY A 86 79.917 6.522 -8.039 1.00 0.20 C ATOM 1371 C GLY A 86 78.947 5.547 -8.710 1.00 0.17 C ATOM 1372 O GLY A 86 78.144 4.909 -8.063 1.00 0.15 O ATOM 0 H GLY A 86 79.089 5.840 -6.176 1.00 0.16 H new ATOM 0 HA2 GLY A 86 79.792 7.517 -8.466 1.00 0.20 H new ATOM 0 HA3 GLY A 86 80.943 6.215 -8.240 1.00 0.20 H new ATOM 1376 N HIS A 87 79.031 5.432 -10.017 1.00 0.20 N ATOM 1377 CA HIS A 87 78.123 4.506 -10.769 1.00 0.19 C ATOM 1378 C HIS A 87 78.901 3.807 -11.895 1.00 0.19 C ATOM 1379 O HIS A 87 79.789 4.393 -12.488 1.00 0.24 O ATOM 1380 CB HIS A 87 77.018 5.408 -11.350 1.00 0.28 C ATOM 1381 CG HIS A 87 77.615 6.465 -12.248 1.00 0.76 C ATOM 1382 ND1 HIS A 87 77.874 6.234 -13.590 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.008 7.759 -12.008 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.399 7.362 -14.102 1.00 1.57 C ATOM 1385 NE2 HIS A 87 78.502 8.324 -13.180 1.00 1.89 N ATOM 0 H HIS A 87 79.695 5.944 -10.598 1.00 0.20 H new ATOM 0 HA HIS A 87 77.710 3.723 -10.133 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.306 4.804 -11.913 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.464 5.882 -10.540 1.00 0.28 H new ATOM 0 HD2 HIS A 87 77.943 8.262 -11.054 1.00 1.72 H new ATOM 0 HE1 HIS A 87 78.701 7.476 -15.133 1.00 1.57 H new ATOM 0 HE2 HIS A 87 78.865 9.269 -13.308 1.00 1.89 H new ATOM 1393 N TYR A 88 78.574 2.569 -12.191 1.00 0.16 N ATOM 1394 CA TYR A 88 79.301 1.840 -13.279 1.00 0.19 C ATOM 1395 C TYR A 88 78.296 1.181 -14.229 1.00 0.21 C ATOM 1396 O TYR A 88 77.293 0.634 -13.802 1.00 0.17 O ATOM 1397 CB TYR A 88 80.152 0.768 -12.573 1.00 0.21 C ATOM 1398 CG TYR A 88 81.041 1.389 -11.507 1.00 0.32 C ATOM 1399 CD1 TYR A 88 81.745 2.617 -11.763 1.00 0.59 C ATOM 1400 CD2 TYR A 88 81.173 0.742 -10.232 1.00 0.66 C ATOM 1401 CE1 TYR A 88 82.578 3.192 -10.745 1.00 0.70 C ATOM 1402 CE2 TYR A 88 82.007 1.319 -9.217 1.00 0.77 C ATOM 1403 CZ TYR A 88 82.708 2.544 -9.474 1.00 0.65 C ATOM 1404 OH TYR A 88 83.510 3.098 -8.496 1.00 0.80 O ATOM 0 H TYR A 88 77.838 2.035 -11.728 1.00 0.16 H new ATOM 0 HA TYR A 88 79.920 2.513 -13.873 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.499 0.023 -12.118 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.768 0.247 -13.306 1.00 0.21 H new ATOM 0 HD1 TYR A 88 81.647 3.106 -12.721 1.00 0.59 H new ATOM 0 HD2 TYR A 88 80.644 -0.179 -10.037 1.00 0.66 H new ATOM 0 HE1 TYR A 88 83.107 4.114 -10.937 1.00 0.70 H new ATOM 0 HE2 TYR A 88 82.107 0.831 -8.259 1.00 0.77 H new ATOM 0 HH TYR A 88 83.037 3.842 -8.067 1.00 0.80 H new ATOM 1414 N LYS A 89 78.581 1.196 -15.508 1.00 0.29 N ATOM 1415 CA LYS A 89 77.674 0.536 -16.496 1.00 0.33 C ATOM 1416 C LYS A 89 78.457 -0.500 -17.322 1.00 0.52 C ATOM 1417 O LYS A 89 79.661 -0.395 -17.443 1.00 0.94 O ATOM 1418 CB LYS A 89 77.174 1.669 -17.392 1.00 0.48 C ATOM 1419 CG LYS A 89 75.827 2.176 -16.869 1.00 1.38 C ATOM 1420 CD LYS A 89 74.977 2.668 -18.042 1.00 1.82 C ATOM 1421 CE LYS A 89 73.595 3.085 -17.532 1.00 2.32 C ATOM 1422 NZ LYS A 89 73.767 4.488 -17.061 1.00 2.99 N ATOM 0 H LYS A 89 79.407 1.639 -15.911 1.00 0.29 H new ATOM 0 HA LYS A 89 76.853 0.005 -16.015 1.00 0.33 H new ATOM 0 HB2 LYS A 89 77.900 2.482 -17.407 1.00 0.48 H new ATOM 0 HB3 LYS A 89 77.069 1.316 -18.418 1.00 0.48 H new ATOM 0 HG2 LYS A 89 75.307 1.378 -16.339 1.00 1.38 H new ATOM 0 HG3 LYS A 89 75.983 2.984 -16.155 1.00 1.38 H new ATOM 0 HD2 LYS A 89 75.466 3.511 -18.531 1.00 1.82 H new ATOM 0 HD3 LYS A 89 74.878 1.880 -18.789 1.00 1.82 H new ATOM 0 HE2 LYS A 89 72.847 3.023 -18.322 1.00 2.32 H new ATOM 0 HE3 LYS A 89 73.260 2.435 -16.724 1.00 2.32 H new ATOM 0 HZ1 LYS A 89 72.854 4.857 -16.727 1.00 2.99 H new ATOM 0 HZ2 LYS A 89 74.455 4.511 -16.282 1.00 2.99 H new ATOM 0 HZ3 LYS A 89 74.113 5.077 -17.845 1.00 2.99 H new ATOM 1436 N PRO A 90 77.756 -1.475 -17.875 1.00 0.71 N ATOM 1437 CA PRO A 90 78.430 -2.525 -18.701 1.00 0.93 C ATOM 1438 C PRO A 90 79.227 -1.891 -19.848 1.00 0.85 C ATOM 1439 O PRO A 90 78.776 -0.957 -20.484 1.00 1.30 O ATOM 1440 CB PRO A 90 77.255 -3.338 -19.244 1.00 1.39 C ATOM 1441 CG PRO A 90 76.194 -3.152 -18.216 1.00 1.68 C ATOM 1442 CD PRO A 90 76.300 -1.716 -17.801 1.00 1.19 C ATOM 0 HA PRO A 90 79.146 -3.122 -18.137 1.00 0.93 H new ATOM 0 HB2 PRO A 90 76.934 -2.976 -20.221 1.00 1.39 H new ATOM 0 HB3 PRO A 90 77.517 -4.389 -19.364 1.00 1.39 H new ATOM 0 HG2 PRO A 90 75.207 -3.373 -18.623 1.00 1.68 H new ATOM 0 HG3 PRO A 90 76.345 -3.820 -17.368 1.00 1.68 H new ATOM 0 HD2 PRO A 90 75.744 -1.057 -18.468 1.00 1.19 H new ATOM 0 HD3 PRO A 90 75.911 -1.553 -16.796 1.00 1.19 H new ATOM 1450 N ARG A 91 80.401 -2.409 -20.122 1.00 1.61 N ATOM 1451 CA ARG A 91 81.230 -1.861 -21.238 1.00 1.99 C ATOM 1452 C ARG A 91 81.835 -3.002 -22.066 1.00 2.65 C ATOM 1453 O ARG A 91 81.959 -4.119 -21.597 1.00 3.38 O ATOM 1454 CB ARG A 91 82.323 -1.031 -20.552 1.00 3.06 C ATOM 1455 CG ARG A 91 83.163 -1.921 -19.627 1.00 3.64 C ATOM 1456 CD ARG A 91 84.088 -1.045 -18.779 1.00 4.74 C ATOM 1457 NE ARG A 91 84.949 -2.009 -18.025 1.00 5.48 N ATOM 1458 CZ ARG A 91 84.511 -2.645 -16.951 1.00 6.33 C ATOM 1459 NH1 ARG A 91 83.293 -2.469 -16.487 1.00 6.87 N ATOM 1460 NH2 ARG A 91 85.311 -3.471 -16.334 1.00 6.83 N ATOM 0 H ARG A 91 80.820 -3.190 -19.618 1.00 1.61 H new ATOM 0 HA ARG A 91 80.645 -1.257 -21.932 1.00 1.99 H new ATOM 0 HB2 ARG A 91 82.963 -0.568 -21.303 1.00 3.06 H new ATOM 0 HB3 ARG A 91 81.870 -0.223 -19.978 1.00 3.06 H new ATOM 0 HG2 ARG A 91 82.512 -2.511 -18.982 1.00 3.64 H new ATOM 0 HG3 ARG A 91 83.751 -2.625 -20.217 1.00 3.64 H new ATOM 0 HD2 ARG A 91 84.689 -0.384 -19.404 1.00 4.74 H new ATOM 0 HD3 ARG A 91 83.518 -0.410 -18.100 1.00 4.74 H new ATOM 0 HE ARG A 91 85.901 -2.181 -18.348 1.00 5.48 H new ATOM 0 HH11 ARG A 91 82.656 -1.827 -16.958 1.00 6.87 H new ATOM 0 HH12 ARG A 91 82.986 -2.975 -15.656 1.00 6.87 H new ATOM 0 HH21 ARG A 91 86.259 -3.618 -16.681 1.00 6.83 H new ATOM 0 HH22 ARG A 91 84.989 -3.969 -15.504 1.00 6.83 H new ATOM 1474 N ASN A 92 82.207 -2.723 -23.291 1.00 3.10 N ATOM 1475 CA ASN A 92 82.803 -3.780 -24.162 1.00 4.24 C ATOM 1476 C ASN A 92 84.280 -3.476 -24.429 1.00 4.85 C ATOM 1477 O ASN A 92 84.662 -2.325 -24.290 1.00 5.20 O ATOM 1478 CB ASN A 92 82.000 -3.721 -25.462 1.00 4.82 C ATOM 1479 CG ASN A 92 82.212 -5.013 -26.257 1.00 5.68 C ATOM 1480 OD1 ASN A 92 82.545 -6.039 -25.696 1.00 5.95 O ATOM 1481 ND2 ASN A 92 82.032 -5.005 -27.550 1.00 6.47 N ATOM 1482 OXT ASN A 92 85.003 -4.398 -24.768 1.00 5.35 O ATOM 0 H ASN A 92 82.123 -1.804 -23.726 1.00 3.10 H new ATOM 0 HA ASN A 92 82.761 -4.767 -23.701 1.00 4.24 H new ATOM 0 HB2 ASN A 92 80.941 -3.588 -25.241 1.00 4.82 H new ATOM 0 HB3 ASN A 92 82.312 -2.862 -26.055 1.00 4.82 H new ATOM 0 HD21 ASN A 92 82.171 -5.859 -28.090 1.00 6.47 H new ATOM 0 HD22 ASN A 92 81.753 -4.144 -28.021 1.00 6.47 H new TER 1489 ASN A 92