USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 688 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 42 GLN : amide:sc= -1.92 K(o=-4.4,f=-6.7!) USER MOD Set 1.2: A 47 SER OG : rot 150:sc= -2.43 USER MOD Set 2.1: A 27 LYS NZ :NH3+ -169:sc= 0.18 (180deg=0.201) USER MOD Set 2.2: A 64 ASN : amide:sc= 0 X(o=0.18,f=0.23) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.00893) USER MOD Single : A 3 GLN : amide:sc= -1.06 K(o=-1.1,f=-4.5!) USER MOD Single : A 6 GLN : amide:sc= -3.86! C(o=-3.9!,f=-4.7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 20:sc= 0.0149 USER MOD Single : A 20 THR OG1 : rot 180:sc= -4.32! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.53) USER MOD Single : A 37 SER OG : rot 88:sc= 0.143 USER MOD Single : A 39 CYS SG : rot 110:sc= -0.503 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 30:sc= 0.27 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 52 SER OG : rot 177:sc= 0.894 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -124:sc= -0.0306 (180deg=-0.277) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 158:sc= -0.0374 (180deg=-0.237) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.639 6.325 6.093 1.00 5.02 N ATOM 2 CA MET A 1 18.858 7.561 5.828 1.00 4.66 C ATOM 3 C MET A 1 17.731 7.730 6.842 1.00 4.42 C ATOM 4 O MET A 1 17.807 8.575 7.734 1.00 4.63 O ATOM 5 CB MET A 1 18.286 7.482 4.410 1.00 4.39 C ATOM 6 CG MET A 1 19.330 7.666 3.320 1.00 4.63 C ATOM 7 SD MET A 1 18.604 7.727 1.670 1.00 5.44 S ATOM 8 CE MET A 1 19.888 6.939 0.701 1.00 5.68 C ATOM 0 H1 MET A 1 20.439 6.271 5.431 1.00 5.02 H new ATOM 0 H2 MET A 1 19.998 6.344 7.069 1.00 5.02 H new ATOM 0 H3 MET A 1 19.027 5.494 5.965 1.00 5.02 H new ATOM 0 HA MET A 1 19.515 8.426 5.921 1.00 4.66 H new ATOM 0 HB2 MET A 1 17.801 6.515 4.277 1.00 4.39 H new ATOM 0 HB3 MET A 1 17.515 8.244 4.295 1.00 4.39 H new ATOM 0 HG2 MET A 1 19.884 8.587 3.504 1.00 4.63 H new ATOM 0 HG3 MET A 1 20.048 6.847 3.367 1.00 4.63 H new ATOM 0 HE1 MET A 1 19.584 6.903 -0.345 1.00 5.68 H new ATOM 0 HE2 MET A 1 20.813 7.509 0.790 1.00 5.68 H new ATOM 0 HE3 MET A 1 20.050 5.925 1.067 1.00 5.68 H new ATOM 20 N GLY A 2 16.687 6.921 6.701 1.00 4.11 N ATOM 21 CA GLY A 2 15.559 6.998 7.611 1.00 4.01 C ATOM 22 C GLY A 2 14.289 7.494 6.939 1.00 3.33 C ATOM 23 O GLY A 2 13.220 7.491 7.549 1.00 3.34 O ATOM 0 H GLY A 2 16.601 6.213 5.972 1.00 4.11 H new ATOM 0 HA2 GLY A 2 15.376 6.012 8.039 1.00 4.01 H new ATOM 0 HA3 GLY A 2 15.810 7.663 8.437 1.00 4.01 H new ATOM 27 N GLN A 3 14.402 7.920 5.682 1.00 2.87 N ATOM 28 CA GLN A 3 13.250 8.418 4.938 1.00 2.29 C ATOM 29 C GLN A 3 12.503 7.274 4.263 1.00 1.97 C ATOM 30 O GLN A 3 13.115 6.340 3.748 1.00 2.17 O ATOM 31 CB GLN A 3 13.694 9.433 3.888 1.00 2.41 C ATOM 32 CG GLN A 3 13.997 10.810 4.459 1.00 3.17 C ATOM 33 CD GLN A 3 15.454 10.977 4.841 1.00 3.60 C ATOM 34 OE1 GLN A 3 16.276 10.090 4.609 1.00 3.44 O ATOM 35 NE2 GLN A 3 15.784 12.120 5.433 1.00 4.47 N ATOM 0 H GLN A 3 15.278 7.930 5.160 1.00 2.87 H new ATOM 0 HA GLN A 3 12.578 8.904 5.645 1.00 2.29 H new ATOM 0 HB2 GLN A 3 14.583 9.055 3.383 1.00 2.41 H new ATOM 0 HB3 GLN A 3 12.914 9.526 3.133 1.00 2.41 H new ATOM 0 HG2 GLN A 3 13.729 11.570 3.725 1.00 3.17 H new ATOM 0 HG3 GLN A 3 13.374 10.980 5.337 1.00 3.17 H new ATOM 0 HE21 GLN A 3 15.071 12.829 5.607 1.00 4.47 H new ATOM 0 HE22 GLN A 3 16.750 12.289 5.714 1.00 4.47 H new ATOM 44 N VAL A 4 11.177 7.356 4.275 1.00 1.57 N ATOM 45 CA VAL A 4 10.337 6.328 3.671 1.00 1.29 C ATOM 46 C VAL A 4 9.142 6.938 2.950 1.00 1.28 C ATOM 47 O VAL A 4 8.616 7.972 3.362 1.00 1.44 O ATOM 48 CB VAL A 4 9.822 5.326 4.721 1.00 1.17 C ATOM 49 CG1 VAL A 4 10.961 4.464 5.239 1.00 1.39 C ATOM 50 CG2 VAL A 4 9.134 6.057 5.861 1.00 1.57 C ATOM 0 H VAL A 4 10.659 8.126 4.698 1.00 1.57 H new ATOM 0 HA VAL A 4 10.965 5.802 2.951 1.00 1.29 H new ATOM 0 HB VAL A 4 9.091 4.672 4.246 1.00 1.17 H new ATOM 0 HG11 VAL A 4 10.578 3.762 5.980 1.00 1.39 H new ATOM 0 HG12 VAL A 4 11.405 3.911 4.411 1.00 1.39 H new ATOM 0 HG13 VAL A 4 11.718 5.099 5.698 1.00 1.39 H new ATOM 0 HG21 VAL A 4 8.776 5.334 6.594 1.00 1.57 H new ATOM 0 HG22 VAL A 4 9.841 6.736 6.337 1.00 1.57 H new ATOM 0 HG23 VAL A 4 8.290 6.626 5.471 1.00 1.57 H new ATOM 60 N VAL A 5 8.708 6.282 1.880 1.00 1.14 N ATOM 61 CA VAL A 5 7.562 6.748 1.112 1.00 1.22 C ATOM 62 C VAL A 5 6.314 6.008 1.570 1.00 1.03 C ATOM 63 O VAL A 5 6.335 4.790 1.748 1.00 0.92 O ATOM 64 CB VAL A 5 7.761 6.528 -0.401 1.00 1.29 C ATOM 65 CG1 VAL A 5 8.942 7.342 -0.907 1.00 1.79 C ATOM 66 CG2 VAL A 5 7.951 5.049 -0.706 1.00 1.70 C ATOM 0 H VAL A 5 9.133 5.425 1.525 1.00 1.14 H new ATOM 0 HA VAL A 5 7.454 7.819 1.284 1.00 1.22 H new ATOM 0 HB VAL A 5 6.866 6.869 -0.921 1.00 1.29 H new ATOM 0 HG11 VAL A 5 9.068 7.175 -1.977 1.00 1.79 H new ATOM 0 HG12 VAL A 5 8.759 8.401 -0.725 1.00 1.79 H new ATOM 0 HG13 VAL A 5 9.847 7.035 -0.383 1.00 1.79 H new ATOM 0 HG21 VAL A 5 8.090 4.914 -1.779 1.00 1.70 H new ATOM 0 HG22 VAL A 5 8.829 4.678 -0.177 1.00 1.70 H new ATOM 0 HG23 VAL A 5 7.071 4.495 -0.381 1.00 1.70 H new ATOM 76 N GLN A 6 5.242 6.753 1.804 1.00 1.03 N ATOM 77 CA GLN A 6 4.003 6.163 2.294 1.00 0.85 C ATOM 78 C GLN A 6 2.983 5.933 1.187 1.00 0.83 C ATOM 79 O GLN A 6 2.772 6.788 0.328 1.00 0.94 O ATOM 80 CB GLN A 6 3.394 7.061 3.370 1.00 0.83 C ATOM 81 CG GLN A 6 3.592 6.535 4.778 1.00 1.45 C ATOM 82 CD GLN A 6 4.457 7.447 5.627 1.00 1.81 C ATOM 83 OE1 GLN A 6 4.205 7.627 6.819 1.00 2.26 O ATOM 84 NE2 GLN A 6 5.483 8.030 5.017 1.00 2.01 N ATOM 0 H GLN A 6 5.205 7.763 1.663 1.00 1.03 H new ATOM 0 HA GLN A 6 4.256 5.188 2.710 1.00 0.85 H new ATOM 0 HB2 GLN A 6 3.836 8.055 3.296 1.00 0.83 H new ATOM 0 HB3 GLN A 6 2.327 7.172 3.179 1.00 0.83 H new ATOM 0 HG2 GLN A 6 2.620 6.414 5.256 1.00 1.45 H new ATOM 0 HG3 GLN A 6 4.050 5.547 4.731 1.00 1.45 H new ATOM 0 HE21 GLN A 6 5.656 7.853 4.027 1.00 2.01 H new ATOM 0 HE22 GLN A 6 6.098 8.655 5.538 1.00 2.01 H new ATOM 93 N PHE A 7 2.328 4.775 1.244 1.00 0.74 N ATOM 94 CA PHE A 7 1.301 4.424 0.280 1.00 0.78 C ATOM 95 C PHE A 7 -0.073 4.661 0.907 1.00 0.62 C ATOM 96 O PHE A 7 -0.327 4.244 2.043 1.00 0.55 O ATOM 97 CB PHE A 7 1.461 2.961 -0.166 1.00 0.86 C ATOM 98 CG PHE A 7 0.225 2.371 -0.789 1.00 0.97 C ATOM 99 CD1 PHE A 7 -0.363 2.971 -1.888 1.00 1.14 C ATOM 100 CD2 PHE A 7 -0.350 1.224 -0.267 1.00 0.98 C ATOM 101 CE1 PHE A 7 -1.502 2.439 -2.458 1.00 1.29 C ATOM 102 CE2 PHE A 7 -1.490 0.688 -0.831 1.00 1.17 C ATOM 103 CZ PHE A 7 -2.068 1.296 -1.928 1.00 1.29 C ATOM 0 H PHE A 7 2.496 4.063 1.955 1.00 0.74 H new ATOM 0 HA PHE A 7 1.400 5.051 -0.606 1.00 0.78 H new ATOM 0 HB2 PHE A 7 2.281 2.898 -0.881 1.00 0.86 H new ATOM 0 HB3 PHE A 7 1.743 2.358 0.697 1.00 0.86 H new ATOM 0 HD1 PHE A 7 0.074 3.866 -2.305 1.00 1.14 H new ATOM 0 HD2 PHE A 7 0.098 0.744 0.590 1.00 0.98 H new ATOM 0 HE1 PHE A 7 -1.950 2.916 -3.317 1.00 1.29 H new ATOM 0 HE2 PHE A 7 -1.930 -0.206 -0.415 1.00 1.17 H new ATOM 0 HZ PHE A 7 -2.960 0.879 -2.370 1.00 1.29 H new ATOM 113 N LYS A 8 -0.942 5.344 0.170 1.00 0.60 N ATOM 114 CA LYS A 8 -2.280 5.655 0.655 1.00 0.54 C ATOM 115 C LYS A 8 -3.355 5.103 -0.275 1.00 0.68 C ATOM 116 O LYS A 8 -3.191 5.088 -1.495 1.00 0.77 O ATOM 117 CB LYS A 8 -2.448 7.169 0.791 1.00 0.61 C ATOM 118 CG LYS A 8 -2.202 7.923 -0.505 1.00 1.40 C ATOM 119 CD LYS A 8 -0.904 8.711 -0.453 1.00 2.22 C ATOM 120 CE LYS A 8 -1.130 10.116 0.081 1.00 1.88 C ATOM 121 NZ LYS A 8 -1.151 11.128 -1.010 1.00 2.42 N ATOM 0 H LYS A 8 -0.742 5.693 -0.767 1.00 0.60 H new ATOM 0 HA LYS A 8 -2.398 5.182 1.630 1.00 0.54 H new ATOM 0 HB2 LYS A 8 -3.457 7.385 1.142 1.00 0.61 H new ATOM 0 HB3 LYS A 8 -1.760 7.536 1.552 1.00 0.61 H new ATOM 0 HG2 LYS A 8 -2.168 7.219 -1.336 1.00 1.40 H new ATOM 0 HG3 LYS A 8 -3.033 8.602 -0.696 1.00 1.40 H new ATOM 0 HD2 LYS A 8 -0.186 8.190 0.180 1.00 2.22 H new ATOM 0 HD3 LYS A 8 -0.469 8.765 -1.451 1.00 2.22 H new ATOM 0 HE2 LYS A 8 -2.074 10.150 0.626 1.00 1.88 H new ATOM 0 HE3 LYS A 8 -0.342 10.365 0.792 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 -1.307 12.073 -0.604 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 -0.241 11.114 -1.514 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 -1.919 10.905 -1.675 1.00 2.42 H new ATOM 135 N LEU A 9 -4.461 4.666 0.316 1.00 0.86 N ATOM 136 CA LEU A 9 -5.584 4.127 -0.443 1.00 1.06 C ATOM 137 C LEU A 9 -5.979 5.098 -1.551 1.00 1.74 C ATOM 138 O LEU A 9 -6.417 6.215 -1.279 1.00 2.24 O ATOM 139 CB LEU A 9 -6.760 3.888 0.509 1.00 1.28 C ATOM 140 CG LEU A 9 -7.966 3.129 -0.059 1.00 1.38 C ATOM 141 CD1 LEU A 9 -8.659 3.957 -1.128 1.00 1.75 C ATOM 142 CD2 LEU A 9 -7.558 1.775 -0.611 1.00 1.96 C ATOM 0 H LEU A 9 -4.605 4.675 1.326 1.00 0.86 H new ATOM 0 HA LEU A 9 -5.298 3.182 -0.905 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -6.390 3.339 1.375 1.00 1.28 H new ATOM 0 HB3 LEU A 9 -7.107 4.856 0.870 1.00 1.28 H new ATOM 0 HG LEU A 9 -8.667 2.956 0.757 1.00 1.38 H new ATOM 0 HD11 LEU A 9 -9.512 3.404 -1.520 1.00 1.75 H new ATOM 0 HD12 LEU A 9 -9.003 4.896 -0.695 1.00 1.75 H new ATOM 0 HD13 LEU A 9 -7.959 4.166 -1.937 1.00 1.75 H new ATOM 0 HD21 LEU A 9 -8.436 1.263 -1.006 1.00 1.96 H new ATOM 0 HD22 LEU A 9 -6.829 1.912 -1.409 1.00 1.96 H new ATOM 0 HD23 LEU A 9 -7.116 1.176 0.185 1.00 1.96 H new ATOM 154 N SER A 10 -5.808 4.677 -2.798 1.00 2.11 N ATOM 155 CA SER A 10 -6.137 5.527 -3.935 1.00 2.83 C ATOM 156 C SER A 10 -6.782 4.723 -5.057 1.00 2.93 C ATOM 157 O SER A 10 -6.158 3.838 -5.641 1.00 3.26 O ATOM 158 CB SER A 10 -4.882 6.232 -4.452 1.00 3.76 C ATOM 159 OG SER A 10 -4.583 7.378 -3.673 1.00 4.49 O ATOM 0 H SER A 10 -5.445 3.757 -3.047 1.00 2.11 H new ATOM 0 HA SER A 10 -6.854 6.275 -3.596 1.00 2.83 H new ATOM 0 HB2 SER A 10 -4.038 5.542 -4.429 1.00 3.76 H new ATOM 0 HB3 SER A 10 -5.027 6.523 -5.492 1.00 3.76 H new ATOM 0 HG SER A 10 -5.026 7.306 -2.802 1.00 4.49 H new ATOM 165 N ASP A 11 -8.035 5.049 -5.351 1.00 3.22 N ATOM 166 CA ASP A 11 -8.789 4.376 -6.404 1.00 3.68 C ATOM 167 C ASP A 11 -10.226 4.881 -6.426 1.00 3.44 C ATOM 168 O ASP A 11 -10.840 4.999 -7.486 1.00 4.01 O ATOM 169 CB ASP A 11 -8.780 2.859 -6.198 1.00 4.18 C ATOM 170 CG ASP A 11 -9.562 2.128 -7.273 1.00 4.90 C ATOM 171 OD1 ASP A 11 -9.026 1.965 -8.390 1.00 5.41 O ATOM 172 OD2 ASP A 11 -10.710 1.720 -6.998 1.00 5.24 O ATOM 0 H ASP A 11 -8.555 5.783 -4.870 1.00 3.22 H new ATOM 0 HA ASP A 11 -8.312 4.601 -7.358 1.00 3.68 H new ATOM 0 HB2 ASP A 11 -7.750 2.501 -6.194 1.00 4.18 H new ATOM 0 HB3 ASP A 11 -9.203 2.625 -5.221 1.00 4.18 H new ATOM 177 N ILE A 12 -10.752 5.179 -5.243 1.00 2.82 N ATOM 178 CA ILE A 12 -12.116 5.676 -5.113 1.00 2.70 C ATOM 179 C ILE A 12 -12.127 7.171 -4.807 1.00 2.96 C ATOM 180 O ILE A 12 -11.077 7.778 -4.594 1.00 3.29 O ATOM 181 CB ILE A 12 -12.901 4.926 -4.010 1.00 2.58 C ATOM 182 CG1 ILE A 12 -11.964 4.450 -2.887 1.00 1.94 C ATOM 183 CG2 ILE A 12 -13.668 3.757 -4.612 1.00 3.25 C ATOM 184 CD1 ILE A 12 -11.189 3.187 -3.213 1.00 1.97 C ATOM 0 H ILE A 12 -10.253 5.085 -4.359 1.00 2.82 H new ATOM 0 HA ILE A 12 -12.606 5.497 -6.070 1.00 2.70 H new ATOM 0 HB ILE A 12 -13.617 5.619 -3.568 1.00 2.58 H new ATOM 0 HG12 ILE A 12 -11.257 5.247 -2.658 1.00 1.94 H new ATOM 0 HG13 ILE A 12 -12.554 4.278 -1.986 1.00 1.94 H new ATOM 0 HG21 ILE A 12 -14.216 3.238 -3.826 1.00 3.25 H new ATOM 0 HG22 ILE A 12 -14.370 4.128 -5.359 1.00 3.25 H new ATOM 0 HG23 ILE A 12 -12.968 3.067 -5.083 1.00 3.25 H new ATOM 0 HD11 ILE A 12 -10.553 2.922 -2.368 1.00 1.97 H new ATOM 0 HD12 ILE A 12 -11.886 2.373 -3.412 1.00 1.97 H new ATOM 0 HD13 ILE A 12 -10.570 3.357 -4.094 1.00 1.97 H new ATOM 196 N GLY A 13 -13.318 7.761 -4.792 1.00 3.15 N ATOM 197 CA GLY A 13 -13.439 9.182 -4.516 1.00 3.67 C ATOM 198 C GLY A 13 -13.239 9.511 -3.050 1.00 3.84 C ATOM 199 O GLY A 13 -13.285 8.626 -2.196 1.00 3.63 O ATOM 0 H GLY A 13 -14.201 7.281 -4.966 1.00 3.15 H new ATOM 0 HA2 GLY A 13 -12.706 9.727 -5.110 1.00 3.67 H new ATOM 0 HA3 GLY A 13 -14.424 9.527 -4.831 1.00 3.67 H new ATOM 203 N GLU A 14 -13.017 10.789 -2.758 1.00 4.49 N ATOM 204 CA GLU A 14 -12.809 11.236 -1.384 1.00 4.81 C ATOM 205 C GLU A 14 -14.142 11.494 -0.688 1.00 4.15 C ATOM 206 O GLU A 14 -14.567 12.640 -0.543 1.00 4.04 O ATOM 207 CB GLU A 14 -11.958 12.506 -1.362 1.00 5.76 C ATOM 208 CG GLU A 14 -10.468 12.238 -1.231 1.00 6.16 C ATOM 209 CD GLU A 14 -9.625 13.436 -1.622 1.00 7.04 C ATOM 210 OE1 GLU A 14 -9.623 14.432 -0.868 1.00 7.72 O ATOM 211 OE2 GLU A 14 -8.968 13.379 -2.683 1.00 7.20 O ATOM 0 H GLU A 14 -12.976 11.533 -3.454 1.00 4.49 H new ATOM 0 HA GLU A 14 -12.285 10.445 -0.847 1.00 4.81 H new ATOM 0 HB2 GLU A 14 -12.138 13.070 -2.277 1.00 5.76 H new ATOM 0 HB3 GLU A 14 -12.280 13.135 -0.532 1.00 5.76 H new ATOM 0 HG2 GLU A 14 -10.242 11.959 -0.202 1.00 6.16 H new ATOM 0 HG3 GLU A 14 -10.199 11.388 -1.858 1.00 6.16 H new ATOM 218 N GLY A 15 -14.797 10.421 -0.261 1.00 3.81 N ATOM 219 CA GLY A 15 -16.075 10.549 0.413 1.00 3.32 C ATOM 220 C GLY A 15 -16.932 9.311 0.252 1.00 2.93 C ATOM 221 O GLY A 15 -17.640 8.910 1.176 1.00 3.13 O ATOM 0 H GLY A 15 -14.465 9.463 -0.370 1.00 3.81 H new ATOM 0 HA2 GLY A 15 -15.908 10.738 1.473 1.00 3.32 H new ATOM 0 HA3 GLY A 15 -16.609 11.413 0.016 1.00 3.32 H new ATOM 225 N ILE A 16 -16.860 8.701 -0.925 1.00 2.53 N ATOM 226 CA ILE A 16 -17.626 7.497 -1.210 1.00 2.22 C ATOM 227 C ILE A 16 -17.166 6.342 -0.327 1.00 1.91 C ATOM 228 O ILE A 16 -16.406 6.539 0.622 1.00 1.88 O ATOM 229 CB ILE A 16 -17.497 7.092 -2.694 1.00 2.22 C ATOM 230 CG1 ILE A 16 -16.081 6.593 -2.997 1.00 2.32 C ATOM 231 CG2 ILE A 16 -17.854 8.267 -3.593 1.00 2.54 C ATOM 232 CD1 ILE A 16 -16.043 5.178 -3.528 1.00 2.22 C ATOM 0 H ILE A 16 -16.277 9.022 -1.698 1.00 2.53 H new ATOM 0 HA ILE A 16 -18.672 7.718 -0.996 1.00 2.22 H new ATOM 0 HB ILE A 16 -18.194 6.278 -2.893 1.00 2.22 H new ATOM 0 HG12 ILE A 16 -15.617 7.259 -3.725 1.00 2.32 H new ATOM 0 HG13 ILE A 16 -15.482 6.648 -2.088 1.00 2.32 H new ATOM 0 HG21 ILE A 16 -17.759 7.968 -4.637 1.00 2.54 H new ATOM 0 HG22 ILE A 16 -18.880 8.577 -3.396 1.00 2.54 H new ATOM 0 HG23 ILE A 16 -17.179 9.098 -3.391 1.00 2.54 H new ATOM 0 HD11 ILE A 16 -15.010 4.889 -3.721 1.00 2.22 H new ATOM 0 HD12 ILE A 16 -16.477 4.501 -2.792 1.00 2.22 H new ATOM 0 HD13 ILE A 16 -16.614 5.122 -4.454 1.00 2.22 H new ATOM 244 N ARG A 17 -17.622 5.139 -0.649 1.00 1.82 N ATOM 245 CA ARG A 17 -17.246 3.957 0.112 1.00 1.64 C ATOM 246 C ARG A 17 -15.736 3.748 0.067 1.00 1.22 C ATOM 247 O ARG A 17 -15.073 4.141 -0.892 1.00 1.14 O ATOM 248 CB ARG A 17 -17.954 2.719 -0.441 1.00 1.77 C ATOM 249 CG ARG A 17 -19.115 2.245 0.418 1.00 2.27 C ATOM 250 CD ARG A 17 -18.868 0.848 0.965 1.00 2.75 C ATOM 251 NE ARG A 17 -19.305 0.720 2.351 1.00 3.16 N ATOM 252 CZ ARG A 17 -19.083 -0.358 3.096 1.00 3.76 C ATOM 253 NH1 ARG A 17 -18.436 -1.397 2.587 1.00 4.04 N ATOM 254 NH2 ARG A 17 -19.510 -0.397 4.351 1.00 4.40 N ATOM 0 H ARG A 17 -18.252 4.957 -1.431 1.00 1.82 H new ATOM 0 HA ARG A 17 -17.551 4.109 1.147 1.00 1.64 H new ATOM 0 HB2 ARG A 17 -18.321 2.939 -1.444 1.00 1.77 H new ATOM 0 HB3 ARG A 17 -17.230 1.910 -0.537 1.00 1.77 H new ATOM 0 HG2 ARG A 17 -19.265 2.940 1.245 1.00 2.27 H new ATOM 0 HG3 ARG A 17 -20.031 2.249 -0.172 1.00 2.27 H new ATOM 0 HD2 ARG A 17 -19.395 0.119 0.350 1.00 2.75 H new ATOM 0 HD3 ARG A 17 -17.806 0.614 0.896 1.00 2.75 H new ATOM 0 HE ARG A 17 -19.809 1.501 2.771 1.00 3.16 H new ATOM 0 HH11 ARG A 17 -18.107 -1.370 1.622 1.00 4.04 H new ATOM 0 HH12 ARG A 17 -18.267 -2.223 3.161 1.00 4.04 H new ATOM 0 HH21 ARG A 17 -20.009 0.401 4.745 1.00 4.40 H new ATOM 0 HH22 ARG A 17 -19.339 -1.225 4.922 1.00 4.40 H new ATOM 268 N GLU A 18 -15.203 3.119 1.105 1.00 1.16 N ATOM 269 CA GLU A 18 -13.774 2.845 1.183 1.00 0.91 C ATOM 270 C GLU A 18 -13.511 1.408 0.749 1.00 0.63 C ATOM 271 O GLU A 18 -14.457 0.669 0.477 1.00 0.66 O ATOM 272 CB GLU A 18 -13.270 3.104 2.600 1.00 1.29 C ATOM 273 CG GLU A 18 -13.233 4.581 2.954 1.00 1.64 C ATOM 274 CD GLU A 18 -14.366 4.984 3.877 1.00 1.83 C ATOM 275 OE1 GLU A 18 -15.525 5.023 3.411 1.00 2.11 O ATOM 276 OE2 GLU A 18 -14.096 5.258 5.065 1.00 2.17 O ATOM 0 H GLU A 18 -15.740 2.788 1.907 1.00 1.16 H new ATOM 0 HA GLU A 18 -13.231 3.510 0.512 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -13.912 2.582 3.310 1.00 1.29 H new ATOM 0 HB3 GLU A 18 -12.269 2.685 2.707 1.00 1.29 H new ATOM 0 HG2 GLU A 18 -12.280 4.814 3.430 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -13.285 5.172 2.040 1.00 1.64 H new ATOM 283 N VAL A 19 -12.246 1.004 0.638 1.00 0.63 N ATOM 284 CA VAL A 19 -11.967 -0.359 0.177 1.00 0.57 C ATOM 285 C VAL A 19 -11.080 -1.157 1.128 1.00 0.41 C ATOM 286 O VAL A 19 -10.210 -0.611 1.806 1.00 0.47 O ATOM 287 CB VAL A 19 -11.338 -0.361 -1.230 1.00 0.93 C ATOM 288 CG1 VAL A 19 -9.917 0.170 -1.192 1.00 1.51 C ATOM 289 CG2 VAL A 19 -11.377 -1.760 -1.824 1.00 1.16 C ATOM 0 H VAL A 19 -11.427 1.573 0.851 1.00 0.63 H new ATOM 0 HA VAL A 19 -12.939 -0.852 0.147 1.00 0.57 H new ATOM 0 HB VAL A 19 -11.923 0.302 -1.867 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -9.497 0.158 -2.198 1.00 1.51 H new ATOM 0 HG12 VAL A 19 -9.920 1.192 -0.813 1.00 1.51 H new ATOM 0 HG13 VAL A 19 -9.311 -0.458 -0.538 1.00 1.51 H new ATOM 0 HG21 VAL A 19 -10.929 -1.746 -2.818 1.00 1.16 H new ATOM 0 HG22 VAL A 19 -10.818 -2.443 -1.184 1.00 1.16 H new ATOM 0 HG23 VAL A 19 -12.411 -2.096 -1.897 1.00 1.16 H new ATOM 299 N THR A 20 -11.324 -2.469 1.159 1.00 0.37 N ATOM 300 CA THR A 20 -10.575 -3.389 2.008 1.00 0.30 C ATOM 301 C THR A 20 -9.503 -4.113 1.212 1.00 0.33 C ATOM 302 O THR A 20 -9.606 -4.248 -0.008 1.00 0.65 O ATOM 303 CB THR A 20 -11.499 -4.447 2.643 1.00 0.43 C ATOM 304 OG1 THR A 20 -12.833 -3.941 2.742 1.00 0.69 O ATOM 305 CG2 THR A 20 -11.003 -4.856 4.023 1.00 0.54 C ATOM 0 H THR A 20 -12.046 -2.920 0.596 1.00 0.37 H new ATOM 0 HA THR A 20 -10.115 -2.788 2.792 1.00 0.30 H new ATOM 0 HB THR A 20 -11.490 -5.327 2.000 1.00 0.43 H new ATOM 0 HG1 THR A 20 -13.412 -4.621 3.145 1.00 0.69 H new ATOM 0 HG21 THR A 20 -11.675 -5.603 4.445 1.00 0.54 H new ATOM 0 HG22 THR A 20 -10.001 -5.276 3.940 1.00 0.54 H new ATOM 0 HG23 THR A 20 -10.977 -3.982 4.674 1.00 0.54 H new ATOM 313 N VAL A 21 -8.480 -4.592 1.907 1.00 0.28 N ATOM 314 CA VAL A 21 -7.401 -5.319 1.253 1.00 0.25 C ATOM 315 C VAL A 21 -7.817 -6.759 0.976 1.00 0.29 C ATOM 316 O VAL A 21 -8.330 -7.446 1.858 1.00 0.33 O ATOM 317 CB VAL A 21 -6.119 -5.325 2.104 1.00 0.29 C ATOM 318 CG1 VAL A 21 -4.991 -6.018 1.357 1.00 1.39 C ATOM 319 CG2 VAL A 21 -5.725 -3.907 2.486 1.00 1.21 C ATOM 0 H VAL A 21 -8.375 -4.491 2.917 1.00 0.28 H new ATOM 0 HA VAL A 21 -7.194 -4.805 0.314 1.00 0.25 H new ATOM 0 HB VAL A 21 -6.313 -5.881 3.021 1.00 0.29 H new ATOM 0 HG11 VAL A 21 -4.091 -6.014 1.972 1.00 1.39 H new ATOM 0 HG12 VAL A 21 -5.277 -7.047 1.139 1.00 1.39 H new ATOM 0 HG13 VAL A 21 -4.795 -5.491 0.424 1.00 1.39 H new ATOM 0 HG21 VAL A 21 -4.816 -3.931 3.088 1.00 1.21 H new ATOM 0 HG22 VAL A 21 -5.547 -3.323 1.583 1.00 1.21 H new ATOM 0 HG23 VAL A 21 -6.529 -3.449 3.062 1.00 1.21 H new ATOM 329 N LYS A 22 -7.601 -7.210 -0.254 1.00 0.36 N ATOM 330 CA LYS A 22 -7.961 -8.569 -0.638 1.00 0.46 C ATOM 331 C LYS A 22 -6.738 -9.479 -0.628 1.00 0.52 C ATOM 332 O LYS A 22 -6.851 -10.684 -0.405 1.00 0.66 O ATOM 333 CB LYS A 22 -8.611 -8.580 -2.023 1.00 0.52 C ATOM 334 CG LYS A 22 -9.825 -9.490 -2.116 1.00 0.78 C ATOM 335 CD LYS A 22 -9.466 -10.840 -2.717 1.00 1.48 C ATOM 336 CE LYS A 22 -10.364 -11.180 -3.895 1.00 2.16 C ATOM 337 NZ LYS A 22 -11.523 -12.021 -3.486 1.00 2.95 N ATOM 0 H LYS A 22 -7.180 -6.657 -1.000 1.00 0.36 H new ATOM 0 HA LYS A 22 -8.678 -8.946 0.091 1.00 0.46 H new ATOM 0 HB2 LYS A 22 -8.907 -7.564 -2.285 1.00 0.52 H new ATOM 0 HB3 LYS A 22 -7.873 -8.896 -2.760 1.00 0.52 H new ATOM 0 HG2 LYS A 22 -10.250 -9.634 -1.123 1.00 0.78 H new ATOM 0 HG3 LYS A 22 -10.593 -9.012 -2.725 1.00 0.78 H new ATOM 0 HD2 LYS A 22 -8.426 -10.830 -3.042 1.00 1.48 H new ATOM 0 HD3 LYS A 22 -9.555 -11.614 -1.955 1.00 1.48 H new ATOM 0 HE2 LYS A 22 -10.727 -10.259 -4.352 1.00 2.16 H new ATOM 0 HE3 LYS A 22 -9.784 -11.706 -4.654 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 -12.111 -12.231 -4.318 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 -11.178 -12.911 -3.073 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 -12.091 -11.510 -2.781 1.00 2.95 H new ATOM 351 N GLU A 23 -5.569 -8.896 -0.870 1.00 0.46 N ATOM 352 CA GLU A 23 -4.328 -9.660 -0.886 1.00 0.56 C ATOM 353 C GLU A 23 -3.192 -8.881 -0.227 1.00 0.42 C ATOM 354 O GLU A 23 -2.954 -7.716 -0.547 1.00 0.42 O ATOM 355 CB GLU A 23 -3.952 -10.028 -2.323 1.00 0.73 C ATOM 356 CG GLU A 23 -4.423 -11.413 -2.737 1.00 1.09 C ATOM 357 CD GLU A 23 -3.536 -12.515 -2.194 1.00 1.33 C ATOM 358 OE1 GLU A 23 -2.749 -12.239 -1.264 1.00 2.13 O ATOM 359 OE2 GLU A 23 -3.628 -13.654 -2.698 1.00 1.63 O ATOM 0 H GLU A 23 -5.455 -7.900 -1.057 1.00 0.46 H new ATOM 0 HA GLU A 23 -4.487 -10.574 -0.314 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -4.378 -9.290 -3.002 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -2.869 -9.973 -2.432 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -5.443 -11.566 -2.385 1.00 1.09 H new ATOM 0 HG3 GLU A 23 -4.448 -11.474 -3.825 1.00 1.09 H new ATOM 366 N TRP A 24 -2.494 -9.538 0.697 1.00 0.35 N ATOM 367 CA TRP A 24 -1.379 -8.921 1.410 1.00 0.26 C ATOM 368 C TRP A 24 -0.119 -9.770 1.265 1.00 0.24 C ATOM 369 O TRP A 24 -0.100 -10.937 1.657 1.00 0.33 O ATOM 370 CB TRP A 24 -1.739 -8.745 2.889 1.00 0.37 C ATOM 371 CG TRP A 24 -2.282 -7.387 3.204 1.00 0.43 C ATOM 372 CD1 TRP A 24 -3.534 -7.093 3.652 1.00 0.75 C ATOM 373 CD2 TRP A 24 -1.592 -6.138 3.091 1.00 0.36 C ATOM 374 NE1 TRP A 24 -3.667 -5.736 3.828 1.00 0.74 N ATOM 375 CE2 TRP A 24 -2.488 -5.129 3.491 1.00 0.47 C ATOM 376 CE3 TRP A 24 -0.305 -5.774 2.693 1.00 0.61 C ATOM 377 CZ2 TRP A 24 -2.137 -3.782 3.504 1.00 0.52 C ATOM 378 CZ3 TRP A 24 0.042 -4.438 2.705 1.00 0.83 C ATOM 379 CH2 TRP A 24 -0.871 -3.456 3.110 1.00 0.70 C ATOM 0 H TRP A 24 -2.683 -10.502 0.970 1.00 0.35 H new ATOM 0 HA TRP A 24 -1.183 -7.940 0.976 1.00 0.26 H new ATOM 0 HB2 TRP A 24 -2.475 -9.498 3.169 1.00 0.37 H new ATOM 0 HB3 TRP A 24 -0.852 -8.925 3.496 1.00 0.37 H new ATOM 0 HD1 TRP A 24 -4.310 -7.820 3.841 1.00 0.75 H new ATOM 0 HE1 TRP A 24 -4.507 -5.260 4.156 1.00 0.74 H new ATOM 0 HE3 TRP A 24 0.407 -6.524 2.381 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 -2.840 -3.023 3.814 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 1.035 -4.145 2.397 1.00 0.83 H new ATOM 0 HH2 TRP A 24 -0.567 -2.420 3.111 1.00 0.70 H new ATOM 390 N TYR A 25 0.927 -9.187 0.681 1.00 0.20 N ATOM 391 CA TYR A 25 2.178 -9.914 0.469 1.00 0.31 C ATOM 392 C TYR A 25 3.353 -9.253 1.186 1.00 0.27 C ATOM 393 O TYR A 25 4.492 -9.334 0.724 1.00 0.36 O ATOM 394 CB TYR A 25 2.481 -10.008 -1.027 1.00 0.42 C ATOM 395 CG TYR A 25 1.801 -11.170 -1.715 1.00 0.70 C ATOM 396 CD1 TYR A 25 2.113 -12.481 -1.379 1.00 1.07 C ATOM 397 CD2 TYR A 25 0.849 -10.955 -2.704 1.00 1.16 C ATOM 398 CE1 TYR A 25 1.495 -13.545 -2.008 1.00 1.34 C ATOM 399 CE2 TYR A 25 0.227 -12.014 -3.338 1.00 1.44 C ATOM 400 CZ TYR A 25 0.553 -13.306 -2.987 1.00 1.36 C ATOM 401 OH TYR A 25 -0.064 -14.363 -3.616 1.00 1.72 O ATOM 0 H TYR A 25 0.934 -8.223 0.349 1.00 0.20 H new ATOM 0 HA TYR A 25 2.049 -10.912 0.887 1.00 0.31 H new ATOM 0 HB2 TYR A 25 2.172 -9.081 -1.510 1.00 0.42 H new ATOM 0 HB3 TYR A 25 3.559 -10.096 -1.165 1.00 0.42 H new ATOM 0 HD1 TYR A 25 2.851 -12.672 -0.614 1.00 1.07 H new ATOM 0 HD2 TYR A 25 0.591 -9.944 -2.982 1.00 1.16 H new ATOM 0 HE1 TYR A 25 1.748 -14.559 -1.734 1.00 1.34 H new ATOM 0 HE2 TYR A 25 -0.511 -11.830 -4.105 1.00 1.44 H new ATOM 0 HH TYR A 25 -0.701 -14.023 -4.278 1.00 1.72 H new ATOM 411 N VAL A 26 3.081 -8.604 2.312 1.00 0.22 N ATOM 412 CA VAL A 26 4.133 -7.939 3.076 1.00 0.22 C ATOM 413 C VAL A 26 3.733 -7.780 4.544 1.00 0.22 C ATOM 414 O VAL A 26 2.549 -7.803 4.878 1.00 0.31 O ATOM 415 CB VAL A 26 4.473 -6.557 2.474 1.00 0.28 C ATOM 416 CG1 VAL A 26 4.768 -6.684 0.989 1.00 0.50 C ATOM 417 CG2 VAL A 26 3.342 -5.567 2.711 1.00 0.40 C ATOM 0 H VAL A 26 2.148 -8.523 2.715 1.00 0.22 H new ATOM 0 HA VAL A 26 5.020 -8.571 3.021 1.00 0.22 H new ATOM 0 HB VAL A 26 5.364 -6.178 2.975 1.00 0.28 H new ATOM 0 HG11 VAL A 26 5.006 -5.702 0.580 1.00 0.50 H new ATOM 0 HG12 VAL A 26 5.616 -7.353 0.842 1.00 0.50 H new ATOM 0 HG13 VAL A 26 3.894 -7.088 0.478 1.00 0.50 H new ATOM 0 HG21 VAL A 26 3.606 -4.602 2.278 1.00 0.40 H new ATOM 0 HG22 VAL A 26 2.430 -5.938 2.243 1.00 0.40 H new ATOM 0 HG23 VAL A 26 3.179 -5.451 3.782 1.00 0.40 H new ATOM 427 N LYS A 27 4.728 -7.626 5.415 1.00 0.24 N ATOM 428 CA LYS A 27 4.475 -7.471 6.847 1.00 0.26 C ATOM 429 C LYS A 27 5.273 -6.306 7.429 1.00 0.29 C ATOM 430 O LYS A 27 6.288 -5.893 6.868 1.00 0.42 O ATOM 431 CB LYS A 27 4.829 -8.763 7.589 1.00 0.38 C ATOM 432 CG LYS A 27 3.644 -9.690 7.806 1.00 0.61 C ATOM 433 CD LYS A 27 2.759 -9.204 8.942 1.00 0.99 C ATOM 434 CE LYS A 27 1.376 -8.817 8.444 1.00 1.52 C ATOM 435 NZ LYS A 27 0.590 -8.099 9.487 1.00 1.89 N ATOM 0 H LYS A 27 5.714 -7.605 5.156 1.00 0.24 H new ATOM 0 HA LYS A 27 3.414 -7.257 6.977 1.00 0.26 H new ATOM 0 HB2 LYS A 27 5.597 -9.295 7.027 1.00 0.38 H new ATOM 0 HB3 LYS A 27 5.261 -8.508 8.557 1.00 0.38 H new ATOM 0 HG2 LYS A 27 3.058 -9.755 6.889 1.00 0.61 H new ATOM 0 HG3 LYS A 27 4.003 -10.695 8.027 1.00 0.61 H new ATOM 0 HD2 LYS A 27 2.670 -9.987 9.695 1.00 0.99 H new ATOM 0 HD3 LYS A 27 3.226 -8.346 9.427 1.00 0.99 H new ATOM 0 HE2 LYS A 27 1.472 -8.184 7.562 1.00 1.52 H new ATOM 0 HE3 LYS A 27 0.837 -9.713 8.136 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 -0.400 -8.017 9.181 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 0.633 -8.629 10.381 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 0.988 -7.149 9.629 1.00 1.89 H new ATOM 449 N GLU A 28 4.806 -5.782 8.561 1.00 0.30 N ATOM 450 CA GLU A 28 5.478 -4.667 9.225 1.00 0.34 C ATOM 451 C GLU A 28 6.938 -5.008 9.499 1.00 0.38 C ATOM 452 O GLU A 28 7.251 -6.109 9.951 1.00 0.42 O ATOM 453 CB GLU A 28 4.770 -4.322 10.537 1.00 0.42 C ATOM 454 CG GLU A 28 3.254 -4.383 10.446 1.00 0.35 C ATOM 455 CD GLU A 28 2.691 -5.687 10.979 1.00 1.10 C ATOM 456 OE1 GLU A 28 3.478 -6.635 11.183 1.00 1.23 O ATOM 457 OE2 GLU A 28 1.462 -5.760 11.192 1.00 2.03 O ATOM 0 H GLU A 28 3.966 -6.111 9.037 1.00 0.30 H new ATOM 0 HA GLU A 28 5.438 -3.802 8.563 1.00 0.34 H new ATOM 0 HB2 GLU A 28 5.107 -5.009 11.313 1.00 0.42 H new ATOM 0 HB3 GLU A 28 5.067 -3.320 10.848 1.00 0.42 H new ATOM 0 HG2 GLU A 28 2.826 -3.551 11.005 1.00 0.35 H new ATOM 0 HG3 GLU A 28 2.950 -4.258 9.407 1.00 0.35 H new ATOM 464 N GLY A 29 7.832 -4.066 9.209 1.00 0.39 N ATOM 465 CA GLY A 29 9.247 -4.306 9.420 1.00 0.45 C ATOM 466 C GLY A 29 9.839 -5.242 8.378 1.00 0.40 C ATOM 467 O GLY A 29 11.012 -5.608 8.459 1.00 0.44 O ATOM 0 H GLY A 29 7.602 -3.146 8.834 1.00 0.39 H new ATOM 0 HA2 GLY A 29 9.781 -3.356 9.396 1.00 0.45 H new ATOM 0 HA3 GLY A 29 9.396 -4.731 10.413 1.00 0.45 H new ATOM 471 N ASP A 30 9.019 -5.646 7.408 1.00 0.34 N ATOM 472 CA ASP A 30 9.454 -6.561 6.360 1.00 0.31 C ATOM 473 C ASP A 30 9.876 -5.811 5.104 1.00 0.25 C ATOM 474 O ASP A 30 9.425 -4.694 4.852 1.00 0.24 O ATOM 475 CB ASP A 30 8.332 -7.544 6.018 1.00 0.31 C ATOM 476 CG ASP A 30 8.819 -8.694 5.159 1.00 0.91 C ATOM 477 OD1 ASP A 30 10.040 -8.955 5.154 1.00 1.27 O ATOM 478 OD2 ASP A 30 7.979 -9.333 4.490 1.00 1.36 O ATOM 0 H ASP A 30 8.046 -5.351 7.329 1.00 0.34 H new ATOM 0 HA ASP A 30 10.318 -7.108 6.737 1.00 0.31 H new ATOM 0 HB2 ASP A 30 7.903 -7.938 6.939 1.00 0.31 H new ATOM 0 HB3 ASP A 30 7.535 -7.015 5.496 1.00 0.31 H new ATOM 483 N THR A 31 10.739 -6.441 4.316 1.00 0.23 N ATOM 484 CA THR A 31 11.220 -5.842 3.080 1.00 0.18 C ATOM 485 C THR A 31 10.451 -6.384 1.881 1.00 0.18 C ATOM 486 O THR A 31 10.026 -7.539 1.870 1.00 0.30 O ATOM 487 CB THR A 31 12.722 -6.105 2.870 1.00 0.19 C ATOM 488 OG1 THR A 31 13.450 -5.791 4.064 1.00 0.31 O ATOM 489 CG2 THR A 31 13.253 -5.274 1.712 1.00 0.30 C ATOM 0 H THR A 31 11.119 -7.367 4.512 1.00 0.23 H new ATOM 0 HA THR A 31 11.059 -4.767 3.165 1.00 0.18 H new ATOM 0 HB THR A 31 12.856 -7.161 2.635 1.00 0.19 H new ATOM 0 HG1 THR A 31 14.404 -5.963 3.920 1.00 0.31 H new ATOM 0 HG21 THR A 31 14.316 -5.473 1.579 1.00 0.30 H new ATOM 0 HG22 THR A 31 12.717 -5.537 0.800 1.00 0.30 H new ATOM 0 HG23 THR A 31 13.106 -4.215 1.927 1.00 0.30 H new ATOM 497 N VAL A 32 10.277 -5.537 0.875 1.00 0.14 N ATOM 498 CA VAL A 32 9.560 -5.914 -0.336 1.00 0.14 C ATOM 499 C VAL A 32 10.532 -6.225 -1.465 1.00 0.14 C ATOM 500 O VAL A 32 11.691 -5.813 -1.429 1.00 0.18 O ATOM 501 CB VAL A 32 8.572 -4.816 -0.817 1.00 0.20 C ATOM 502 CG1 VAL A 32 7.140 -5.285 -0.642 1.00 0.28 C ATOM 503 CG2 VAL A 32 8.786 -3.486 -0.099 1.00 0.18 C ATOM 0 H VAL A 32 10.625 -4.578 0.874 1.00 0.14 H new ATOM 0 HA VAL A 32 8.983 -6.802 -0.079 1.00 0.14 H new ATOM 0 HB VAL A 32 8.770 -4.645 -1.875 1.00 0.20 H new ATOM 0 HG11 VAL A 32 6.458 -4.506 -0.983 1.00 0.28 H new ATOM 0 HG12 VAL A 32 6.979 -6.190 -1.228 1.00 0.28 H new ATOM 0 HG13 VAL A 32 6.952 -5.496 0.411 1.00 0.28 H new ATOM 0 HG21 VAL A 32 8.071 -2.752 -0.471 1.00 0.18 H new ATOM 0 HG22 VAL A 32 8.641 -3.623 0.972 1.00 0.18 H new ATOM 0 HG23 VAL A 32 9.800 -3.131 -0.285 1.00 0.18 H new ATOM 513 N SER A 33 10.047 -6.950 -2.467 1.00 0.23 N ATOM 514 CA SER A 33 10.865 -7.317 -3.616 1.00 0.31 C ATOM 515 C SER A 33 10.084 -7.123 -4.913 1.00 0.33 C ATOM 516 O SER A 33 8.857 -7.032 -4.900 1.00 0.35 O ATOM 517 CB SER A 33 11.335 -8.767 -3.496 1.00 0.38 C ATOM 518 OG SER A 33 12.631 -8.838 -2.926 1.00 1.42 O ATOM 0 H SER A 33 9.088 -7.296 -2.506 1.00 0.23 H new ATOM 0 HA SER A 33 11.739 -6.667 -3.636 1.00 0.31 H new ATOM 0 HB2 SER A 33 10.633 -9.330 -2.882 1.00 0.38 H new ATOM 0 HB3 SER A 33 11.342 -9.233 -4.481 1.00 0.38 H new ATOM 0 HG SER A 33 12.908 -9.776 -2.859 1.00 1.42 H new ATOM 524 N GLN A 34 10.801 -7.054 -6.029 1.00 0.37 N ATOM 525 CA GLN A 34 10.171 -6.863 -7.333 1.00 0.41 C ATOM 526 C GLN A 34 9.037 -7.861 -7.552 1.00 0.43 C ATOM 527 O GLN A 34 8.084 -7.580 -8.280 1.00 0.52 O ATOM 528 CB GLN A 34 11.208 -7.002 -8.449 1.00 0.44 C ATOM 529 CG GLN A 34 12.109 -5.788 -8.598 1.00 0.76 C ATOM 530 CD GLN A 34 13.580 -6.156 -8.628 1.00 1.54 C ATOM 531 OE1 GLN A 34 14.417 -5.467 -8.046 1.00 2.38 O ATOM 532 NE2 GLN A 34 13.902 -7.250 -9.311 1.00 1.72 N ATOM 0 H GLN A 34 11.818 -7.127 -6.058 1.00 0.37 H new ATOM 0 HA GLN A 34 9.750 -5.858 -7.356 1.00 0.41 H new ATOM 0 HB2 GLN A 34 11.824 -7.879 -8.253 1.00 0.44 H new ATOM 0 HB3 GLN A 34 10.692 -7.179 -9.393 1.00 0.44 H new ATOM 0 HG2 GLN A 34 11.851 -5.259 -9.516 1.00 0.76 H new ATOM 0 HG3 GLN A 34 11.927 -5.101 -7.772 1.00 0.76 H new ATOM 0 HE21 GLN A 34 13.175 -7.792 -9.779 1.00 1.72 H new ATOM 0 HE22 GLN A 34 14.876 -7.548 -9.367 1.00 1.72 H new ATOM 541 N PHE A 35 9.145 -9.026 -6.923 1.00 0.43 N ATOM 542 CA PHE A 35 8.128 -10.063 -7.057 1.00 0.48 C ATOM 543 C PHE A 35 7.153 -10.048 -5.882 1.00 0.43 C ATOM 544 O PHE A 35 6.067 -10.622 -5.960 1.00 0.47 O ATOM 545 CB PHE A 35 8.788 -11.439 -7.163 1.00 0.58 C ATOM 546 CG PHE A 35 9.711 -11.750 -6.019 1.00 0.99 C ATOM 547 CD1 PHE A 35 9.206 -11.993 -4.751 1.00 1.86 C ATOM 548 CD2 PHE A 35 11.082 -11.798 -6.211 1.00 1.12 C ATOM 549 CE1 PHE A 35 10.053 -12.278 -3.697 1.00 2.52 C ATOM 550 CE2 PHE A 35 11.933 -12.083 -5.160 1.00 1.64 C ATOM 551 CZ PHE A 35 11.418 -12.324 -3.901 1.00 2.31 C ATOM 0 H PHE A 35 9.926 -9.276 -6.316 1.00 0.43 H new ATOM 0 HA PHE A 35 7.565 -9.858 -7.967 1.00 0.48 H new ATOM 0 HB2 PHE A 35 8.012 -12.203 -7.211 1.00 0.58 H new ATOM 0 HB3 PHE A 35 9.348 -11.494 -8.097 1.00 0.58 H new ATOM 0 HD1 PHE A 35 8.139 -11.959 -4.585 1.00 1.86 H new ATOM 0 HD2 PHE A 35 11.490 -11.611 -7.193 1.00 1.12 H new ATOM 0 HE1 PHE A 35 9.647 -12.465 -2.714 1.00 2.52 H new ATOM 0 HE2 PHE A 35 13.000 -12.117 -5.323 1.00 1.64 H new ATOM 0 HZ PHE A 35 12.081 -12.548 -3.078 1.00 2.31 H new ATOM 561 N ASP A 36 7.546 -9.399 -4.789 1.00 0.36 N ATOM 562 CA ASP A 36 6.702 -9.329 -3.604 1.00 0.34 C ATOM 563 C ASP A 36 5.896 -8.033 -3.567 1.00 0.25 C ATOM 564 O ASP A 36 6.376 -7.006 -3.088 1.00 0.21 O ATOM 565 CB ASP A 36 7.555 -9.443 -2.340 1.00 0.41 C ATOM 566 CG ASP A 36 7.229 -10.684 -1.532 1.00 0.76 C ATOM 567 OD1 ASP A 36 6.033 -11.031 -1.435 1.00 0.84 O ATOM 568 OD2 ASP A 36 8.169 -11.308 -0.996 1.00 1.69 O ATOM 0 H ASP A 36 8.440 -8.916 -4.701 1.00 0.36 H new ATOM 0 HA ASP A 36 6.002 -10.163 -3.647 1.00 0.34 H new ATOM 0 HB2 ASP A 36 8.609 -9.460 -2.617 1.00 0.41 H new ATOM 0 HB3 ASP A 36 7.402 -8.559 -1.721 1.00 0.41 H new ATOM 573 N SER A 37 4.662 -8.094 -4.060 1.00 0.26 N ATOM 574 CA SER A 37 3.784 -6.929 -4.066 1.00 0.21 C ATOM 575 C SER A 37 3.471 -6.508 -2.634 1.00 0.23 C ATOM 576 O SER A 37 3.619 -7.302 -1.705 1.00 0.28 O ATOM 577 CB SER A 37 2.490 -7.239 -4.820 1.00 0.25 C ATOM 578 OG SER A 37 2.369 -8.627 -5.078 1.00 0.94 O ATOM 0 H SER A 37 4.249 -8.936 -4.460 1.00 0.26 H new ATOM 0 HA SER A 37 4.292 -6.110 -4.575 1.00 0.21 H new ATOM 0 HB2 SER A 37 1.635 -6.899 -4.236 1.00 0.25 H new ATOM 0 HB3 SER A 37 2.473 -6.688 -5.761 1.00 0.25 H new ATOM 0 HG SER A 37 1.922 -9.062 -4.322 1.00 0.94 H new ATOM 584 N ILE A 38 3.048 -5.261 -2.451 1.00 0.22 N ATOM 585 CA ILE A 38 2.736 -4.770 -1.113 1.00 0.27 C ATOM 586 C ILE A 38 1.262 -4.974 -0.764 1.00 0.27 C ATOM 587 O ILE A 38 0.907 -5.949 -0.095 1.00 0.27 O ATOM 588 CB ILE A 38 3.121 -3.281 -0.941 1.00 0.32 C ATOM 589 CG1 ILE A 38 4.620 -3.098 -1.215 1.00 0.36 C ATOM 590 CG2 ILE A 38 2.761 -2.797 0.462 1.00 0.34 C ATOM 591 CD1 ILE A 38 5.197 -1.787 -0.712 1.00 0.47 C ATOM 0 H ILE A 38 2.915 -4.581 -3.200 1.00 0.22 H new ATOM 0 HA ILE A 38 3.337 -5.360 -0.421 1.00 0.27 H new ATOM 0 HB ILE A 38 2.560 -2.681 -1.658 1.00 0.32 H new ATOM 0 HG12 ILE A 38 5.164 -3.921 -0.752 1.00 0.36 H new ATOM 0 HG13 ILE A 38 4.791 -3.167 -2.289 1.00 0.36 H new ATOM 0 HG21 ILE A 38 3.038 -1.748 0.567 1.00 0.34 H new ATOM 0 HG22 ILE A 38 1.688 -2.907 0.621 1.00 0.34 H new ATOM 0 HG23 ILE A 38 3.300 -3.390 1.201 1.00 0.34 H new ATOM 0 HD11 ILE A 38 6.260 -1.743 -0.948 1.00 0.47 H new ATOM 0 HD12 ILE A 38 4.683 -0.955 -1.194 1.00 0.47 H new ATOM 0 HD13 ILE A 38 5.062 -1.721 0.368 1.00 0.47 H new ATOM 603 N CYS A 39 0.410 -4.054 -1.204 1.00 0.32 N ATOM 604 CA CYS A 39 -1.016 -4.140 -0.916 1.00 0.34 C ATOM 605 C CYS A 39 -1.842 -4.299 -2.186 1.00 0.40 C ATOM 606 O CYS A 39 -1.533 -3.710 -3.222 1.00 0.55 O ATOM 607 CB CYS A 39 -1.474 -2.892 -0.162 1.00 0.40 C ATOM 608 SG CYS A 39 -3.241 -2.866 0.219 1.00 1.29 S ATOM 0 H CYS A 39 0.682 -3.243 -1.760 1.00 0.32 H new ATOM 0 HA CYS A 39 -1.173 -5.025 -0.299 1.00 0.34 H new ATOM 0 HB2 CYS A 39 -0.912 -2.816 0.769 1.00 0.40 H new ATOM 0 HB3 CYS A 39 -1.228 -2.011 -0.756 1.00 0.40 H new ATOM 0 HG CYS A 39 -3.412 -3.025 1.498 1.00 1.29 H new ATOM 614 N GLU A 40 -2.908 -5.086 -2.086 1.00 0.36 N ATOM 615 CA GLU A 40 -3.804 -5.315 -3.211 1.00 0.44 C ATOM 616 C GLU A 40 -5.254 -5.223 -2.750 1.00 0.48 C ATOM 617 O GLU A 40 -5.663 -5.919 -1.821 1.00 0.50 O ATOM 618 CB GLU A 40 -3.542 -6.687 -3.835 1.00 0.57 C ATOM 619 CG GLU A 40 -2.084 -6.931 -4.185 1.00 1.15 C ATOM 620 CD GLU A 40 -1.906 -8.061 -5.181 1.00 1.65 C ATOM 621 OE1 GLU A 40 -2.710 -9.016 -5.146 1.00 1.74 O ATOM 622 OE2 GLU A 40 -0.962 -7.991 -5.996 1.00 2.37 O ATOM 0 H GLU A 40 -3.172 -5.578 -1.232 1.00 0.36 H new ATOM 0 HA GLU A 40 -3.618 -4.549 -3.964 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -3.875 -7.460 -3.143 1.00 0.57 H new ATOM 0 HB3 GLU A 40 -4.145 -6.787 -4.738 1.00 0.57 H new ATOM 0 HG2 GLU A 40 -1.655 -6.017 -4.597 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -1.529 -7.162 -3.276 1.00 1.15 H new ATOM 629 N VAL A 41 -6.026 -4.360 -3.396 1.00 0.55 N ATOM 630 CA VAL A 41 -7.427 -4.179 -3.038 1.00 0.64 C ATOM 631 C VAL A 41 -8.346 -4.516 -4.206 1.00 0.92 C ATOM 632 O VAL A 41 -7.984 -4.330 -5.368 1.00 1.08 O ATOM 633 CB VAL A 41 -7.704 -2.735 -2.579 1.00 0.65 C ATOM 634 CG1 VAL A 41 -6.814 -2.369 -1.401 1.00 1.35 C ATOM 635 CG2 VAL A 41 -7.504 -1.760 -3.730 1.00 1.32 C ATOM 0 H VAL A 41 -5.707 -3.775 -4.169 1.00 0.55 H new ATOM 0 HA VAL A 41 -7.633 -4.862 -2.214 1.00 0.64 H new ATOM 0 HB VAL A 41 -8.743 -2.670 -2.255 1.00 0.65 H new ATOM 0 HG11 VAL A 41 -7.024 -1.345 -1.091 1.00 1.35 H new ATOM 0 HG12 VAL A 41 -7.012 -3.048 -0.571 1.00 1.35 H new ATOM 0 HG13 VAL A 41 -5.768 -2.451 -1.696 1.00 1.35 H new ATOM 0 HG21 VAL A 41 -7.704 -0.745 -3.386 1.00 1.32 H new ATOM 0 HG22 VAL A 41 -6.477 -1.826 -4.088 1.00 1.32 H new ATOM 0 HG23 VAL A 41 -8.188 -2.010 -4.541 1.00 1.32 H new ATOM 645 N GLN A 42 -9.536 -5.015 -3.889 1.00 1.03 N ATOM 646 CA GLN A 42 -10.509 -5.379 -4.913 1.00 1.34 C ATOM 647 C GLN A 42 -11.892 -4.837 -4.567 1.00 1.39 C ATOM 648 O GLN A 42 -12.467 -5.183 -3.535 1.00 1.38 O ATOM 649 CB GLN A 42 -10.565 -6.900 -5.073 1.00 1.58 C ATOM 650 CG GLN A 42 -9.263 -7.504 -5.571 1.00 1.80 C ATOM 651 CD GLN A 42 -9.472 -8.797 -6.334 1.00 2.17 C ATOM 652 OE1 GLN A 42 -10.561 -9.371 -6.320 1.00 2.33 O ATOM 653 NE2 GLN A 42 -8.426 -9.264 -7.005 1.00 2.60 N ATOM 0 H GLN A 42 -9.850 -5.177 -2.932 1.00 1.03 H new ATOM 0 HA GLN A 42 -10.193 -4.934 -5.856 1.00 1.34 H new ATOM 0 HB2 GLN A 42 -10.822 -7.349 -4.114 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -11.364 -7.155 -5.769 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -8.756 -6.785 -6.215 1.00 1.80 H new ATOM 0 HG3 GLN A 42 -8.605 -7.690 -4.722 1.00 1.80 H new ATOM 0 HE21 GLN A 42 -7.542 -8.756 -6.989 1.00 2.60 H new ATOM 0 HE22 GLN A 42 -8.507 -10.131 -7.536 1.00 2.60 H new ATOM 662 N SER A 43 -12.417 -3.981 -5.437 1.00 1.55 N ATOM 663 CA SER A 43 -13.731 -3.385 -5.227 1.00 1.64 C ATOM 664 C SER A 43 -14.754 -3.960 -6.199 1.00 2.05 C ATOM 665 O SER A 43 -14.404 -4.427 -7.283 1.00 2.29 O ATOM 666 CB SER A 43 -13.659 -1.866 -5.389 1.00 1.43 C ATOM 667 OG SER A 43 -14.537 -1.213 -4.488 1.00 1.73 O ATOM 0 H SER A 43 -11.952 -3.684 -6.295 1.00 1.55 H new ATOM 0 HA SER A 43 -14.048 -3.622 -4.211 1.00 1.64 H new ATOM 0 HB2 SER A 43 -12.638 -1.527 -5.216 1.00 1.43 H new ATOM 0 HB3 SER A 43 -13.916 -1.594 -6.413 1.00 1.43 H new ATOM 0 HG SER A 43 -14.470 -0.243 -4.611 1.00 1.73 H new ATOM 673 N ASP A 44 -16.021 -3.920 -5.803 1.00 2.23 N ATOM 674 CA ASP A 44 -17.101 -4.434 -6.636 1.00 2.66 C ATOM 675 C ASP A 44 -17.103 -3.769 -8.011 1.00 2.80 C ATOM 676 O ASP A 44 -17.672 -4.301 -8.964 1.00 3.14 O ATOM 677 CB ASP A 44 -18.450 -4.210 -5.950 1.00 2.85 C ATOM 678 CG ASP A 44 -18.740 -2.741 -5.711 1.00 3.67 C ATOM 679 OD1 ASP A 44 -17.792 -1.991 -5.398 1.00 3.89 O ATOM 680 OD2 ASP A 44 -19.917 -2.340 -5.837 1.00 4.39 O ATOM 0 H ASP A 44 -16.326 -3.536 -4.908 1.00 2.23 H new ATOM 0 HA ASP A 44 -16.938 -5.503 -6.773 1.00 2.66 H new ATOM 0 HB2 ASP A 44 -19.242 -4.639 -6.564 1.00 2.85 H new ATOM 0 HB3 ASP A 44 -18.463 -4.740 -4.997 1.00 2.85 H new ATOM 685 N LYS A 45 -16.472 -2.601 -8.108 1.00 2.69 N ATOM 686 CA LYS A 45 -16.416 -1.870 -9.370 1.00 2.92 C ATOM 687 C LYS A 45 -15.090 -2.097 -10.093 1.00 3.03 C ATOM 688 O LYS A 45 -15.062 -2.250 -11.313 1.00 3.65 O ATOM 689 CB LYS A 45 -16.636 -0.372 -9.135 1.00 2.89 C ATOM 690 CG LYS A 45 -15.721 0.231 -8.080 1.00 2.98 C ATOM 691 CD LYS A 45 -14.787 1.269 -8.680 1.00 3.17 C ATOM 692 CE LYS A 45 -14.511 2.400 -7.702 1.00 3.22 C ATOM 693 NZ LYS A 45 -14.256 3.690 -8.400 1.00 3.62 N ATOM 0 H LYS A 45 -15.995 -2.143 -7.332 1.00 2.69 H new ATOM 0 HA LYS A 45 -17.216 -2.252 -10.005 1.00 2.92 H new ATOM 0 HB2 LYS A 45 -16.487 0.158 -10.076 1.00 2.89 H new ATOM 0 HB3 LYS A 45 -17.672 -0.210 -8.838 1.00 2.89 H new ATOM 0 HG2 LYS A 45 -16.322 0.691 -7.296 1.00 2.98 H new ATOM 0 HG3 LYS A 45 -15.135 -0.559 -7.611 1.00 2.98 H new ATOM 0 HD2 LYS A 45 -13.848 0.794 -8.964 1.00 3.17 H new ATOM 0 HD3 LYS A 45 -15.228 1.674 -9.591 1.00 3.17 H new ATOM 0 HE2 LYS A 45 -15.361 2.513 -7.029 1.00 3.22 H new ATOM 0 HE3 LYS A 45 -13.649 2.144 -7.086 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 -14.072 4.434 -7.697 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -13.429 3.590 -9.023 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -15.088 3.948 -8.968 1.00 3.62 H new ATOM 707 N ALA A 46 -13.993 -2.112 -9.342 1.00 2.58 N ATOM 708 CA ALA A 46 -12.675 -2.316 -9.933 1.00 2.82 C ATOM 709 C ALA A 46 -11.730 -3.022 -8.966 1.00 2.68 C ATOM 710 O ALA A 46 -11.976 -3.067 -7.760 1.00 2.63 O ATOM 711 CB ALA A 46 -12.083 -0.984 -10.372 1.00 2.83 C ATOM 0 H ALA A 46 -13.990 -1.986 -8.330 1.00 2.58 H new ATOM 0 HA ALA A 46 -12.797 -2.958 -10.806 1.00 2.82 H new ATOM 0 HB1 ALA A 46 -11.099 -1.150 -10.811 1.00 2.83 H new ATOM 0 HB2 ALA A 46 -12.737 -0.521 -11.111 1.00 2.83 H new ATOM 0 HB3 ALA A 46 -11.988 -0.326 -9.508 1.00 2.83 H new ATOM 717 N SER A 47 -10.644 -3.566 -9.507 1.00 2.96 N ATOM 718 CA SER A 47 -9.650 -4.265 -8.702 1.00 2.92 C ATOM 719 C SER A 47 -8.268 -3.654 -8.913 1.00 2.26 C ATOM 720 O SER A 47 -7.740 -3.662 -10.024 1.00 2.31 O ATOM 721 CB SER A 47 -9.627 -5.753 -9.058 1.00 3.72 C ATOM 722 OG SER A 47 -10.117 -6.540 -7.986 1.00 4.52 O ATOM 0 H SER A 47 -10.430 -3.535 -10.504 1.00 2.96 H new ATOM 0 HA SER A 47 -9.922 -4.160 -7.652 1.00 2.92 H new ATOM 0 HB2 SER A 47 -10.232 -5.927 -9.948 1.00 3.72 H new ATOM 0 HB3 SER A 47 -8.609 -6.057 -9.301 1.00 3.72 H new ATOM 0 HG SER A 47 -10.540 -7.350 -8.341 1.00 4.52 H new ATOM 728 N VAL A 48 -7.692 -3.115 -7.843 1.00 2.12 N ATOM 729 CA VAL A 48 -6.377 -2.489 -7.921 1.00 1.80 C ATOM 730 C VAL A 48 -5.306 -3.339 -7.246 1.00 1.55 C ATOM 731 O VAL A 48 -5.571 -4.030 -6.262 1.00 1.97 O ATOM 732 CB VAL A 48 -6.380 -1.091 -7.274 1.00 2.53 C ATOM 733 CG1 VAL A 48 -5.172 -0.289 -7.731 1.00 2.98 C ATOM 734 CG2 VAL A 48 -7.672 -0.352 -7.593 1.00 3.50 C ATOM 0 H VAL A 48 -8.114 -3.099 -6.914 1.00 2.12 H new ATOM 0 HA VAL A 48 -6.144 -2.397 -8.982 1.00 1.80 H new ATOM 0 HB VAL A 48 -6.319 -1.214 -6.193 1.00 2.53 H new ATOM 0 HG11 VAL A 48 -5.191 0.696 -7.264 1.00 2.98 H new ATOM 0 HG12 VAL A 48 -4.259 -0.810 -7.443 1.00 2.98 H new ATOM 0 HG13 VAL A 48 -5.199 -0.177 -8.815 1.00 2.98 H new ATOM 0 HG21 VAL A 48 -7.653 0.633 -7.126 1.00 3.50 H new ATOM 0 HG22 VAL A 48 -7.770 -0.240 -8.673 1.00 3.50 H new ATOM 0 HG23 VAL A 48 -8.520 -0.919 -7.209 1.00 3.50 H new ATOM 744 N THR A 49 -4.092 -3.270 -7.781 1.00 1.13 N ATOM 745 CA THR A 49 -2.964 -4.017 -7.240 1.00 0.98 C ATOM 746 C THR A 49 -1.705 -3.158 -7.251 1.00 0.69 C ATOM 747 O THR A 49 -1.338 -2.593 -8.281 1.00 0.71 O ATOM 748 CB THR A 49 -2.703 -5.305 -8.042 1.00 1.22 C ATOM 749 OG1 THR A 49 -2.366 -4.980 -9.396 1.00 1.28 O ATOM 750 CG2 THR A 49 -3.925 -6.210 -8.022 1.00 1.46 C ATOM 0 H THR A 49 -3.864 -2.700 -8.595 1.00 1.13 H new ATOM 0 HA THR A 49 -3.216 -4.290 -6.215 1.00 0.98 H new ATOM 0 HB THR A 49 -1.870 -5.834 -7.578 1.00 1.22 H new ATOM 0 HG1 THR A 49 -1.918 -4.109 -9.422 1.00 1.28 H new ATOM 0 HG21 THR A 49 -3.718 -7.114 -8.595 1.00 1.46 H new ATOM 0 HG22 THR A 49 -4.162 -6.479 -6.993 1.00 1.46 H new ATOM 0 HG23 THR A 49 -4.773 -5.687 -8.464 1.00 1.46 H new ATOM 758 N ILE A 50 -1.051 -3.051 -6.099 1.00 0.66 N ATOM 759 CA ILE A 50 0.157 -2.244 -5.989 1.00 0.49 C ATOM 760 C ILE A 50 1.416 -3.105 -6.027 1.00 0.37 C ATOM 761 O ILE A 50 1.746 -3.795 -5.058 1.00 0.36 O ATOM 762 CB ILE A 50 0.152 -1.405 -4.696 1.00 0.66 C ATOM 763 CG1 ILE A 50 -1.099 -0.524 -4.644 1.00 0.95 C ATOM 764 CG2 ILE A 50 1.410 -0.552 -4.608 1.00 0.78 C ATOM 765 CD1 ILE A 50 -1.302 0.310 -5.890 1.00 1.01 C ATOM 0 H ILE A 50 -1.336 -3.510 -5.234 1.00 0.66 H new ATOM 0 HA ILE A 50 0.165 -1.575 -6.850 1.00 0.49 H new ATOM 0 HB ILE A 50 0.138 -2.081 -3.841 1.00 0.66 H new ATOM 0 HG12 ILE A 50 -1.974 -1.157 -4.494 1.00 0.95 H new ATOM 0 HG13 ILE A 50 -1.032 0.138 -3.780 1.00 0.95 H new ATOM 0 HG21 ILE A 50 1.389 0.033 -3.689 1.00 0.78 H new ATOM 0 HG22 ILE A 50 2.288 -1.198 -4.607 1.00 0.78 H new ATOM 0 HG23 ILE A 50 1.455 0.120 -5.465 1.00 0.78 H new ATOM 0 HD11 ILE A 50 -2.206 0.909 -5.784 1.00 1.01 H new ATOM 0 HD12 ILE A 50 -0.445 0.969 -6.031 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -1.401 -0.346 -6.755 1.00 1.01 H new ATOM 777 N THR A 51 2.121 -3.046 -7.153 1.00 0.41 N ATOM 778 CA THR A 51 3.352 -3.803 -7.330 1.00 0.44 C ATOM 779 C THR A 51 4.515 -3.102 -6.640 1.00 0.40 C ATOM 780 O THR A 51 4.337 -2.053 -6.022 1.00 0.50 O ATOM 781 CB THR A 51 3.694 -3.990 -8.820 1.00 0.56 C ATOM 782 OG1 THR A 51 3.495 -2.761 -9.527 1.00 0.79 O ATOM 783 CG2 THR A 51 2.835 -5.082 -9.442 1.00 1.04 C ATOM 0 H THR A 51 1.858 -2.479 -7.959 1.00 0.41 H new ATOM 0 HA THR A 51 3.192 -4.783 -6.881 1.00 0.44 H new ATOM 0 HB THR A 51 4.740 -4.287 -8.894 1.00 0.56 H new ATOM 0 HG1 THR A 51 3.716 -2.888 -10.473 1.00 0.79 H new ATOM 0 HG21 THR A 51 3.096 -5.195 -10.494 1.00 1.04 H new ATOM 0 HG22 THR A 51 3.011 -6.024 -8.922 1.00 1.04 H new ATOM 0 HG23 THR A 51 1.783 -4.811 -9.356 1.00 1.04 H new ATOM 791 N SER A 52 5.702 -3.684 -6.744 1.00 0.49 N ATOM 792 CA SER A 52 6.885 -3.105 -6.122 1.00 0.56 C ATOM 793 C SER A 52 7.821 -2.496 -7.162 1.00 0.56 C ATOM 794 O SER A 52 8.113 -1.302 -7.120 1.00 0.66 O ATOM 795 CB SER A 52 7.629 -4.167 -5.310 1.00 0.63 C ATOM 796 OG SER A 52 6.726 -5.099 -4.739 1.00 1.36 O ATOM 0 H SER A 52 5.871 -4.553 -7.251 1.00 0.49 H new ATOM 0 HA SER A 52 6.554 -2.308 -5.457 1.00 0.56 H new ATOM 0 HB2 SER A 52 8.338 -4.690 -5.952 1.00 0.63 H new ATOM 0 HB3 SER A 52 8.208 -3.687 -4.521 1.00 0.63 H new ATOM 0 HG SER A 52 7.229 -5.796 -4.269 1.00 1.36 H new ATOM 802 N ARG A 53 8.303 -3.330 -8.082 1.00 0.54 N ATOM 803 CA ARG A 53 9.227 -2.885 -9.126 1.00 0.63 C ATOM 804 C ARG A 53 10.627 -2.621 -8.549 1.00 0.58 C ATOM 805 O ARG A 53 11.518 -2.146 -9.253 1.00 0.68 O ATOM 806 CB ARG A 53 8.667 -1.637 -9.847 1.00 0.83 C ATOM 807 CG ARG A 53 9.194 -0.291 -9.347 1.00 1.39 C ATOM 808 CD ARG A 53 10.234 0.286 -10.295 1.00 2.19 C ATOM 809 NE ARG A 53 11.254 1.053 -9.586 1.00 2.73 N ATOM 810 CZ ARG A 53 12.347 1.540 -10.167 1.00 3.54 C ATOM 811 NH1 ARG A 53 12.556 1.343 -11.461 1.00 4.04 N ATOM 812 NH2 ARG A 53 13.230 2.225 -9.455 1.00 4.23 N ATOM 0 H ARG A 53 8.068 -4.322 -8.126 1.00 0.54 H new ATOM 0 HA ARG A 53 9.325 -3.683 -9.862 1.00 0.63 H new ATOM 0 HB2 ARG A 53 8.892 -1.722 -10.910 1.00 0.83 H new ATOM 0 HB3 ARG A 53 7.581 -1.640 -9.750 1.00 0.83 H new ATOM 0 HG2 ARG A 53 8.366 0.410 -9.244 1.00 1.39 H new ATOM 0 HG3 ARG A 53 9.632 -0.415 -8.357 1.00 1.39 H new ATOM 0 HD2 ARG A 53 10.709 -0.524 -10.849 1.00 2.19 H new ATOM 0 HD3 ARG A 53 9.742 0.927 -11.027 1.00 2.19 H new ATOM 0 HE ARG A 53 11.121 1.225 -8.589 1.00 2.73 H new ATOM 0 HH11 ARG A 53 11.878 0.817 -12.013 1.00 4.04 H new ATOM 0 HH12 ARG A 53 13.395 1.717 -11.905 1.00 4.04 H new ATOM 0 HH21 ARG A 53 13.072 2.380 -8.459 1.00 4.23 H new ATOM 0 HH22 ARG A 53 14.067 2.597 -9.903 1.00 4.23 H new ATOM 826 N TYR A 54 10.806 -2.927 -7.264 1.00 0.45 N ATOM 827 CA TYR A 54 12.076 -2.723 -6.587 1.00 0.41 C ATOM 828 C TYR A 54 11.994 -3.269 -5.169 1.00 0.31 C ATOM 829 O TYR A 54 10.917 -3.650 -4.708 1.00 0.28 O ATOM 830 CB TYR A 54 12.441 -1.238 -6.559 1.00 0.50 C ATOM 831 CG TYR A 54 13.924 -0.984 -6.403 1.00 1.15 C ATOM 832 CD1 TYR A 54 14.854 -1.733 -7.113 1.00 1.89 C ATOM 833 CD2 TYR A 54 14.394 0.002 -5.545 1.00 1.77 C ATOM 834 CE1 TYR A 54 16.210 -1.507 -6.973 1.00 2.72 C ATOM 835 CE2 TYR A 54 15.748 0.235 -5.399 1.00 2.59 C ATOM 836 CZ TYR A 54 16.652 -0.522 -6.115 1.00 2.95 C ATOM 837 OH TYR A 54 18.001 -0.294 -5.972 1.00 3.88 O ATOM 0 H TYR A 54 10.076 -3.321 -6.670 1.00 0.45 H new ATOM 0 HA TYR A 54 12.854 -3.256 -7.134 1.00 0.41 H new ATOM 0 HB2 TYR A 54 12.095 -0.770 -7.480 1.00 0.50 H new ATOM 0 HB3 TYR A 54 11.910 -0.757 -5.738 1.00 0.50 H new ATOM 0 HD1 TYR A 54 14.511 -2.505 -7.786 1.00 1.89 H new ATOM 0 HD2 TYR A 54 13.689 0.596 -4.983 1.00 1.77 H new ATOM 0 HE1 TYR A 54 16.920 -2.098 -7.532 1.00 2.72 H new ATOM 0 HE2 TYR A 54 16.097 1.006 -4.728 1.00 2.59 H new ATOM 0 HH TYR A 54 18.144 0.434 -5.331 1.00 3.88 H new ATOM 847 N ASP A 55 13.122 -3.308 -4.475 1.00 0.30 N ATOM 848 CA ASP A 55 13.138 -3.811 -3.108 1.00 0.24 C ATOM 849 C ASP A 55 13.092 -2.658 -2.115 1.00 0.23 C ATOM 850 O ASP A 55 13.899 -1.730 -2.183 1.00 0.28 O ATOM 851 CB ASP A 55 14.372 -4.683 -2.852 1.00 0.28 C ATOM 852 CG ASP A 55 15.594 -4.219 -3.622 1.00 1.01 C ATOM 853 OD1 ASP A 55 15.987 -3.045 -3.461 1.00 1.52 O ATOM 854 OD2 ASP A 55 16.156 -5.030 -4.387 1.00 1.33 O ATOM 0 H ASP A 55 14.028 -3.002 -4.830 1.00 0.30 H new ATOM 0 HA ASP A 55 12.252 -4.430 -2.970 1.00 0.24 H new ATOM 0 HB2 ASP A 55 14.598 -4.679 -1.786 1.00 0.28 H new ATOM 0 HB3 ASP A 55 14.146 -5.713 -3.126 1.00 0.28 H new ATOM 859 N GLY A 56 12.127 -2.715 -1.203 1.00 0.18 N ATOM 860 CA GLY A 56 11.975 -1.659 -0.220 1.00 0.18 C ATOM 861 C GLY A 56 11.742 -2.179 1.182 1.00 0.15 C ATOM 862 O GLY A 56 11.432 -3.350 1.375 1.00 0.15 O ATOM 0 H GLY A 56 11.448 -3.473 -1.127 1.00 0.18 H new ATOM 0 HA2 GLY A 56 12.869 -1.035 -0.225 1.00 0.18 H new ATOM 0 HA3 GLY A 56 11.139 -1.021 -0.508 1.00 0.18 H new ATOM 866 N VAL A 57 11.900 -1.305 2.167 1.00 0.18 N ATOM 867 CA VAL A 57 11.711 -1.688 3.561 1.00 0.21 C ATOM 868 C VAL A 57 10.356 -1.228 4.092 1.00 0.22 C ATOM 869 O VAL A 57 10.078 -0.032 4.164 1.00 0.26 O ATOM 870 CB VAL A 57 12.834 -1.112 4.458 1.00 0.30 C ATOM 871 CG1 VAL A 57 12.556 -1.374 5.937 1.00 1.06 C ATOM 872 CG2 VAL A 57 14.180 -1.694 4.055 1.00 1.11 C ATOM 0 H VAL A 57 12.158 -0.328 2.028 1.00 0.18 H new ATOM 0 HA VAL A 57 11.749 -2.777 3.595 1.00 0.21 H new ATOM 0 HB VAL A 57 12.860 -0.032 4.313 1.00 0.30 H new ATOM 0 HG11 VAL A 57 13.364 -0.957 6.538 1.00 1.06 H new ATOM 0 HG12 VAL A 57 11.614 -0.904 6.219 1.00 1.06 H new ATOM 0 HG13 VAL A 57 12.492 -2.448 6.110 1.00 1.06 H new ATOM 0 HG21 VAL A 57 14.961 -1.281 4.693 1.00 1.11 H new ATOM 0 HG22 VAL A 57 14.156 -2.778 4.167 1.00 1.11 H new ATOM 0 HG23 VAL A 57 14.389 -1.441 3.016 1.00 1.11 H new ATOM 882 N ILE A 58 9.533 -2.191 4.494 1.00 0.21 N ATOM 883 CA ILE A 58 8.221 -1.898 5.055 1.00 0.24 C ATOM 884 C ILE A 58 8.301 -1.968 6.570 1.00 0.33 C ATOM 885 O ILE A 58 8.711 -2.988 7.129 1.00 0.38 O ATOM 886 CB ILE A 58 7.150 -2.878 4.547 1.00 0.19 C ATOM 887 CG1 ILE A 58 7.370 -3.165 3.062 1.00 0.20 C ATOM 888 CG2 ILE A 58 5.760 -2.308 4.787 1.00 0.23 C ATOM 889 CD1 ILE A 58 6.250 -3.952 2.419 1.00 0.17 C ATOM 0 H ILE A 58 9.754 -3.185 4.441 1.00 0.21 H new ATOM 0 HA ILE A 58 7.930 -0.897 4.736 1.00 0.24 H new ATOM 0 HB ILE A 58 7.233 -3.815 5.097 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.487 -2.220 2.532 1.00 0.20 H new ATOM 0 HG13 ILE A 58 8.303 -3.715 2.942 1.00 0.20 H new ATOM 0 HG21 ILE A 58 5.011 -3.011 4.423 1.00 0.23 H new ATOM 0 HG22 ILE A 58 5.614 -2.142 5.854 1.00 0.23 H new ATOM 0 HG23 ILE A 58 5.658 -1.362 4.256 1.00 0.23 H new ATOM 0 HD11 ILE A 58 6.478 -4.116 1.366 1.00 0.17 H new ATOM 0 HD12 ILE A 58 6.146 -4.914 2.922 1.00 0.17 H new ATOM 0 HD13 ILE A 58 5.317 -3.394 2.505 1.00 0.17 H new ATOM 901 N LYS A 59 7.954 -0.866 7.227 1.00 0.40 N ATOM 902 CA LYS A 59 8.045 -0.792 8.682 1.00 0.53 C ATOM 903 C LYS A 59 6.702 -1.015 9.383 1.00 0.52 C ATOM 904 O LYS A 59 6.645 -1.725 10.387 1.00 0.61 O ATOM 905 CB LYS A 59 8.659 0.559 9.080 1.00 0.65 C ATOM 906 CG LYS A 59 8.461 0.943 10.541 1.00 0.83 C ATOM 907 CD LYS A 59 9.277 2.173 10.907 1.00 1.03 C ATOM 908 CE LYS A 59 8.558 3.454 10.518 1.00 1.51 C ATOM 909 NZ LYS A 59 9.489 4.457 9.929 1.00 2.14 N ATOM 0 H LYS A 59 7.609 -0.017 6.779 1.00 0.40 H new ATOM 0 HA LYS A 59 8.688 -1.606 9.016 1.00 0.53 H new ATOM 0 HB2 LYS A 59 9.728 0.534 8.867 1.00 0.65 H new ATOM 0 HB3 LYS A 59 8.227 1.338 8.452 1.00 0.65 H new ATOM 0 HG2 LYS A 59 7.405 1.136 10.728 1.00 0.83 H new ATOM 0 HG3 LYS A 59 8.750 0.109 11.180 1.00 0.83 H new ATOM 0 HD2 LYS A 59 9.472 2.175 11.979 1.00 1.03 H new ATOM 0 HD3 LYS A 59 10.245 2.131 10.407 1.00 1.03 H new ATOM 0 HE2 LYS A 59 7.770 3.225 9.800 1.00 1.51 H new ATOM 0 HE3 LYS A 59 8.074 3.880 11.397 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 8.960 5.316 9.677 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 10.226 4.696 10.623 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 9.932 4.061 9.076 1.00 2.14 H new ATOM 923 N LYS A 60 5.629 -0.415 8.883 1.00 0.44 N ATOM 924 CA LYS A 60 4.331 -0.588 9.528 1.00 0.45 C ATOM 925 C LYS A 60 3.201 -0.797 8.522 1.00 0.37 C ATOM 926 O LYS A 60 3.134 -0.133 7.489 1.00 0.53 O ATOM 927 CB LYS A 60 4.027 0.604 10.454 1.00 0.55 C ATOM 928 CG LYS A 60 3.348 1.789 9.776 1.00 0.76 C ATOM 929 CD LYS A 60 4.305 2.543 8.873 1.00 0.51 C ATOM 930 CE LYS A 60 5.352 3.297 9.677 1.00 0.71 C ATOM 931 NZ LYS A 60 4.747 4.384 10.496 1.00 1.35 N ATOM 0 H LYS A 60 5.627 0.181 8.055 1.00 0.44 H new ATOM 0 HA LYS A 60 4.389 -1.496 10.128 1.00 0.45 H new ATOM 0 HB2 LYS A 60 3.392 0.258 11.270 1.00 0.55 H new ATOM 0 HB3 LYS A 60 4.961 0.946 10.900 1.00 0.55 H new ATOM 0 HG2 LYS A 60 2.498 1.436 9.192 1.00 0.76 H new ATOM 0 HG3 LYS A 60 2.954 2.465 10.535 1.00 0.76 H new ATOM 0 HD2 LYS A 60 4.798 1.843 8.198 1.00 0.51 H new ATOM 0 HD3 LYS A 60 3.746 3.244 8.253 1.00 0.51 H new ATOM 0 HE2 LYS A 60 5.879 2.601 10.330 1.00 0.71 H new ATOM 0 HE3 LYS A 60 6.093 3.722 9.000 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 5.202 5.289 10.261 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 3.729 4.445 10.294 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 4.888 4.177 11.506 1.00 1.35 H new ATOM 945 N LEU A 61 2.305 -1.718 8.860 1.00 0.35 N ATOM 946 CA LEU A 61 1.151 -2.030 8.026 1.00 0.37 C ATOM 947 C LEU A 61 -0.089 -2.172 8.903 1.00 0.56 C ATOM 948 O LEU A 61 -0.306 -3.210 9.528 1.00 0.94 O ATOM 949 CB LEU A 61 1.397 -3.315 7.233 1.00 0.39 C ATOM 950 CG LEU A 61 2.451 -3.196 6.131 1.00 0.33 C ATOM 951 CD1 LEU A 61 3.573 -4.196 6.354 1.00 1.14 C ATOM 952 CD2 LEU A 61 1.817 -3.399 4.765 1.00 0.91 C ATOM 0 H LEU A 61 2.358 -2.268 9.718 1.00 0.35 H new ATOM 0 HA LEU A 61 0.993 -1.218 7.316 1.00 0.37 H new ATOM 0 HB2 LEU A 61 1.702 -4.100 7.925 1.00 0.39 H new ATOM 0 HB3 LEU A 61 0.456 -3.634 6.784 1.00 0.39 H new ATOM 0 HG LEU A 61 2.875 -2.193 6.168 1.00 0.33 H new ATOM 0 HD11 LEU A 61 4.313 -4.096 5.560 1.00 1.14 H new ATOM 0 HD12 LEU A 61 4.046 -4.003 7.317 1.00 1.14 H new ATOM 0 HD13 LEU A 61 3.166 -5.207 6.345 1.00 1.14 H new ATOM 0 HD21 LEU A 61 2.581 -3.311 3.993 1.00 0.91 H new ATOM 0 HD22 LEU A 61 1.365 -4.390 4.717 1.00 0.91 H new ATOM 0 HD23 LEU A 61 1.049 -2.642 4.604 1.00 0.91 H new ATOM 964 N TYR A 62 -0.878 -1.106 8.969 1.00 0.68 N ATOM 965 CA TYR A 62 -2.080 -1.081 9.798 1.00 0.88 C ATOM 966 C TYR A 62 -3.240 -1.851 9.174 1.00 0.75 C ATOM 967 O TYR A 62 -3.928 -2.610 9.858 1.00 0.87 O ATOM 968 CB TYR A 62 -2.505 0.366 10.041 1.00 1.16 C ATOM 969 CG TYR A 62 -2.912 0.654 11.467 1.00 1.24 C ATOM 970 CD1 TYR A 62 -4.151 0.254 11.953 1.00 1.81 C ATOM 971 CD2 TYR A 62 -2.057 1.330 12.327 1.00 1.55 C ATOM 972 CE1 TYR A 62 -4.525 0.520 13.257 1.00 2.35 C ATOM 973 CE2 TYR A 62 -2.423 1.599 13.631 1.00 2.07 C ATOM 974 CZ TYR A 62 -3.657 1.193 14.091 1.00 2.38 C ATOM 975 OH TYR A 62 -4.026 1.461 15.389 1.00 3.08 O ATOM 0 H TYR A 62 -0.706 -0.242 8.455 1.00 0.68 H new ATOM 0 HA TYR A 62 -1.832 -1.571 10.740 1.00 0.88 H new ATOM 0 HB2 TYR A 62 -1.682 1.027 9.768 1.00 1.16 H new ATOM 0 HB3 TYR A 62 -3.338 0.605 9.380 1.00 1.16 H new ATOM 0 HD1 TYR A 62 -4.832 -0.273 11.302 1.00 1.81 H new ATOM 0 HD2 TYR A 62 -1.089 1.651 11.970 1.00 1.55 H new ATOM 0 HE1 TYR A 62 -5.491 0.203 13.620 1.00 2.35 H new ATOM 0 HE2 TYR A 62 -1.745 2.125 14.287 1.00 2.07 H new ATOM 0 HH TYR A 62 -3.302 1.940 15.843 1.00 3.08 H new ATOM 985 N TYR A 63 -3.473 -1.636 7.885 1.00 0.64 N ATOM 986 CA TYR A 63 -4.576 -2.294 7.192 1.00 0.62 C ATOM 987 C TYR A 63 -4.202 -3.699 6.727 1.00 0.63 C ATOM 988 O TYR A 63 -3.114 -3.927 6.199 1.00 0.73 O ATOM 989 CB TYR A 63 -5.029 -1.452 5.999 1.00 0.79 C ATOM 990 CG TYR A 63 -5.342 -0.014 6.351 1.00 1.02 C ATOM 991 CD1 TYR A 63 -5.754 0.339 7.631 1.00 1.28 C ATOM 992 CD2 TYR A 63 -5.224 0.993 5.401 1.00 1.16 C ATOM 993 CE1 TYR A 63 -6.039 1.653 7.953 1.00 1.56 C ATOM 994 CE2 TYR A 63 -5.506 2.308 5.715 1.00 1.45 C ATOM 995 CZ TYR A 63 -5.914 2.633 6.991 1.00 1.60 C ATOM 996 OH TYR A 63 -6.195 3.943 7.307 1.00 1.93 O ATOM 0 H TYR A 63 -2.916 -1.014 7.299 1.00 0.64 H new ATOM 0 HA TYR A 63 -5.397 -2.389 7.903 1.00 0.62 H new ATOM 0 HB2 TYR A 63 -4.249 -1.469 5.237 1.00 0.79 H new ATOM 0 HB3 TYR A 63 -5.915 -1.910 5.558 1.00 0.79 H new ATOM 0 HD1 TYR A 63 -5.853 -0.426 8.387 1.00 1.28 H new ATOM 0 HD2 TYR A 63 -4.906 0.743 4.400 1.00 1.16 H new ATOM 0 HE1 TYR A 63 -6.358 1.910 8.952 1.00 1.56 H new ATOM 0 HE2 TYR A 63 -5.407 3.078 4.964 1.00 1.45 H new ATOM 0 HH TYR A 63 -6.056 4.507 6.518 1.00 1.93 H new ATOM 1006 N ASN A 64 -5.131 -4.630 6.925 1.00 0.63 N ATOM 1007 CA ASN A 64 -4.943 -6.018 6.533 1.00 0.67 C ATOM 1008 C ASN A 64 -6.036 -6.452 5.567 1.00 0.49 C ATOM 1009 O ASN A 64 -6.845 -5.641 5.114 1.00 0.47 O ATOM 1010 CB ASN A 64 -4.975 -6.937 7.755 1.00 0.93 C ATOM 1011 CG ASN A 64 -3.872 -6.633 8.749 1.00 1.14 C ATOM 1012 OD1 ASN A 64 -4.134 -6.209 9.875 1.00 1.70 O ATOM 1013 ND2 ASN A 64 -2.628 -6.854 8.338 1.00 1.03 N ATOM 0 H ASN A 64 -6.033 -4.441 7.361 1.00 0.63 H new ATOM 0 HA ASN A 64 -3.970 -6.094 6.047 1.00 0.67 H new ATOM 0 HB2 ASN A 64 -5.941 -6.841 8.251 1.00 0.93 H new ATOM 0 HB3 ASN A 64 -4.887 -7.973 7.427 1.00 0.93 H new ATOM 0 HD21 ASN A 64 -1.844 -6.672 8.964 1.00 1.03 H new ATOM 0 HD22 ASN A 64 -2.457 -7.206 7.396 1.00 1.03 H new ATOM 1020 N LEU A 65 -6.049 -7.739 5.266 1.00 0.54 N ATOM 1021 CA LEU A 65 -7.023 -8.321 4.364 1.00 0.54 C ATOM 1022 C LEU A 65 -8.460 -8.021 4.793 1.00 0.66 C ATOM 1023 O LEU A 65 -9.389 -8.150 3.995 1.00 0.77 O ATOM 1024 CB LEU A 65 -6.807 -9.830 4.315 1.00 0.66 C ATOM 1025 CG LEU A 65 -5.620 -10.286 3.467 1.00 0.75 C ATOM 1026 CD1 LEU A 65 -4.614 -11.044 4.320 1.00 1.06 C ATOM 1027 CD2 LEU A 65 -6.093 -11.146 2.306 1.00 1.04 C ATOM 0 H LEU A 65 -5.381 -8.411 5.643 1.00 0.54 H new ATOM 0 HA LEU A 65 -6.880 -7.878 3.379 1.00 0.54 H new ATOM 0 HB2 LEU A 65 -6.669 -10.195 5.333 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -7.712 -10.299 3.928 1.00 0.66 H new ATOM 0 HG LEU A 65 -5.128 -9.402 3.061 1.00 0.75 H new ATOM 0 HD11 LEU A 65 -3.776 -11.361 3.699 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -4.250 -10.395 5.117 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -5.094 -11.920 4.756 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -5.234 -11.461 1.713 1.00 1.04 H new ATOM 0 HD22 LEU A 65 -6.610 -12.025 2.691 1.00 1.04 H new ATOM 0 HD23 LEU A 65 -6.774 -10.569 1.680 1.00 1.04 H new ATOM 1039 N ASP A 66 -8.649 -7.647 6.056 1.00 0.75 N ATOM 1040 CA ASP A 66 -9.987 -7.366 6.571 1.00 0.92 C ATOM 1041 C ASP A 66 -10.233 -5.872 6.786 1.00 0.87 C ATOM 1042 O ASP A 66 -11.379 -5.421 6.764 1.00 1.00 O ATOM 1043 CB ASP A 66 -10.207 -8.112 7.887 1.00 1.12 C ATOM 1044 CG ASP A 66 -11.659 -8.489 8.101 1.00 1.74 C ATOM 1045 OD1 ASP A 66 -12.276 -9.034 7.162 1.00 2.33 O ATOM 1046 OD2 ASP A 66 -12.180 -8.240 9.209 1.00 2.30 O ATOM 0 H ASP A 66 -7.899 -7.532 6.738 1.00 0.75 H new ATOM 0 HA ASP A 66 -10.696 -7.710 5.818 1.00 0.92 H new ATOM 0 HB2 ASP A 66 -9.595 -9.014 7.897 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -9.870 -7.489 8.716 1.00 1.12 H new ATOM 1051 N ASP A 67 -9.170 -5.110 7.016 1.00 0.77 N ATOM 1052 CA ASP A 67 -9.307 -3.676 7.260 1.00 0.81 C ATOM 1053 C ASP A 67 -9.505 -2.885 5.968 1.00 0.69 C ATOM 1054 O ASP A 67 -9.020 -3.269 4.897 1.00 0.56 O ATOM 1055 CB ASP A 67 -8.092 -3.138 8.016 1.00 0.92 C ATOM 1056 CG ASP A 67 -7.625 -4.083 9.109 1.00 1.35 C ATOM 1057 OD1 ASP A 67 -8.398 -4.316 10.062 1.00 1.85 O ATOM 1058 OD2 ASP A 67 -6.489 -4.588 9.017 1.00 1.54 O ATOM 0 H ASP A 67 -8.211 -5.456 7.039 1.00 0.77 H new ATOM 0 HA ASP A 67 -10.201 -3.544 7.870 1.00 0.81 H new ATOM 0 HB2 ASP A 67 -7.276 -2.968 7.313 1.00 0.92 H new ATOM 0 HB3 ASP A 67 -8.340 -2.172 8.456 1.00 0.92 H new ATOM 1063 N ILE A 68 -10.219 -1.769 6.096 1.00 0.83 N ATOM 1064 CA ILE A 68 -10.500 -0.883 4.973 1.00 0.78 C ATOM 1065 C ILE A 68 -9.615 0.340 5.015 1.00 0.99 C ATOM 1066 O ILE A 68 -9.322 0.881 6.081 1.00 1.38 O ATOM 1067 CB ILE A 68 -11.961 -0.410 4.964 1.00 1.07 C ATOM 1068 CG1 ILE A 68 -12.904 -1.600 5.263 1.00 1.27 C ATOM 1069 CG2 ILE A 68 -12.264 0.290 3.636 1.00 1.06 C ATOM 1070 CD1 ILE A 68 -13.895 -1.949 4.165 1.00 1.10 C ATOM 0 H ILE A 68 -10.618 -1.455 6.981 1.00 0.83 H new ATOM 0 HA ILE A 68 -10.304 -1.463 4.071 1.00 0.78 H new ATOM 0 HB ILE A 68 -12.131 0.322 5.753 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -12.294 -2.480 5.469 1.00 1.27 H new ATOM 0 HG13 ILE A 68 -13.462 -1.378 6.173 1.00 1.27 H new ATOM 0 HG21 ILE A 68 -13.301 0.626 3.630 1.00 1.06 H new ATOM 0 HG22 ILE A 68 -11.604 1.149 3.519 1.00 1.06 H new ATOM 0 HG23 ILE A 68 -12.103 -0.406 2.813 1.00 1.06 H new ATOM 0 HD11 ILE A 68 -14.504 -2.796 4.481 1.00 1.10 H new ATOM 0 HD12 ILE A 68 -14.539 -1.091 3.970 1.00 1.10 H new ATOM 0 HD13 ILE A 68 -13.354 -2.210 3.256 1.00 1.10 H new ATOM 1082 N ALA A 69 -9.204 0.776 3.842 1.00 1.00 N ATOM 1083 CA ALA A 69 -8.364 1.946 3.724 1.00 1.34 C ATOM 1084 C ALA A 69 -9.171 3.131 3.197 1.00 1.19 C ATOM 1085 O ALA A 69 -10.094 2.960 2.382 1.00 1.68 O ATOM 1086 CB ALA A 69 -7.169 1.638 2.840 1.00 2.16 C ATOM 0 H ALA A 69 -9.440 0.334 2.954 1.00 1.00 H new ATOM 0 HA ALA A 69 -7.988 2.222 4.709 1.00 1.34 H new ATOM 0 HB1 ALA A 69 -6.541 2.525 2.756 1.00 2.16 H new ATOM 0 HB2 ALA A 69 -6.592 0.824 3.279 1.00 2.16 H new ATOM 0 HB3 ALA A 69 -7.516 1.344 1.849 1.00 2.16 H new ATOM 1092 N TYR A 70 -8.832 4.323 3.695 1.00 1.18 N ATOM 1093 CA TYR A 70 -9.520 5.555 3.318 1.00 1.38 C ATOM 1094 C TYR A 70 -8.767 6.302 2.221 1.00 1.17 C ATOM 1095 O TYR A 70 -7.543 6.421 2.263 1.00 1.21 O ATOM 1096 CB TYR A 70 -9.674 6.465 4.540 1.00 1.97 C ATOM 1097 CG TYR A 70 -10.717 6.000 5.535 1.00 2.80 C ATOM 1098 CD1 TYR A 70 -10.750 4.684 5.981 1.00 3.47 C ATOM 1099 CD2 TYR A 70 -11.667 6.884 6.033 1.00 3.17 C ATOM 1100 CE1 TYR A 70 -11.700 4.264 6.894 1.00 4.42 C ATOM 1101 CE2 TYR A 70 -12.619 6.470 6.945 1.00 4.07 C ATOM 1102 CZ TYR A 70 -12.632 5.161 7.372 1.00 4.67 C ATOM 1103 OH TYR A 70 -13.578 4.747 8.282 1.00 5.65 O ATOM 0 H TYR A 70 -8.077 4.458 4.367 1.00 1.18 H new ATOM 0 HA TYR A 70 -10.503 5.282 2.934 1.00 1.38 H new ATOM 0 HB2 TYR A 70 -8.712 6.539 5.047 1.00 1.97 H new ATOM 0 HB3 TYR A 70 -9.933 7.468 4.201 1.00 1.97 H new ATOM 0 HD1 TYR A 70 -10.022 3.978 5.609 1.00 3.47 H new ATOM 0 HD2 TYR A 70 -11.661 7.912 5.702 1.00 3.17 H new ATOM 0 HE1 TYR A 70 -11.712 3.238 7.231 1.00 4.42 H new ATOM 0 HE2 TYR A 70 -13.350 7.170 7.321 1.00 4.07 H new ATOM 0 HH TYR A 70 -14.158 5.501 8.518 1.00 5.65 H new ATOM 1113 N VAL A 71 -9.514 6.806 1.246 1.00 1.69 N ATOM 1114 CA VAL A 71 -8.933 7.543 0.128 1.00 2.02 C ATOM 1115 C VAL A 71 -8.088 8.727 0.593 1.00 2.00 C ATOM 1116 O VAL A 71 -8.468 9.456 1.511 1.00 2.35 O ATOM 1117 CB VAL A 71 -10.025 8.068 -0.825 1.00 2.95 C ATOM 1118 CG1 VAL A 71 -9.416 8.505 -2.148 1.00 3.18 C ATOM 1119 CG2 VAL A 71 -11.097 7.013 -1.046 1.00 3.61 C ATOM 0 H VAL A 71 -10.529 6.717 1.206 1.00 1.69 H new ATOM 0 HA VAL A 71 -8.292 6.835 -0.396 1.00 2.02 H new ATOM 0 HB VAL A 71 -10.494 8.937 -0.363 1.00 2.95 H new ATOM 0 HG11 VAL A 71 -10.203 8.872 -2.807 1.00 3.18 H new ATOM 0 HG12 VAL A 71 -8.691 9.299 -1.970 1.00 3.18 H new ATOM 0 HG13 VAL A 71 -8.917 7.657 -2.617 1.00 3.18 H new ATOM 0 HG21 VAL A 71 -11.858 7.404 -1.721 1.00 3.61 H new ATOM 0 HG22 VAL A 71 -10.646 6.122 -1.484 1.00 3.61 H new ATOM 0 HG23 VAL A 71 -11.556 6.756 -0.092 1.00 3.61 H new ATOM 1129 N GLY A 72 -6.950 8.924 -0.069 1.00 1.84 N ATOM 1130 CA GLY A 72 -6.070 10.033 0.258 1.00 1.87 C ATOM 1131 C GLY A 72 -5.414 9.916 1.621 1.00 1.57 C ATOM 1132 O GLY A 72 -4.817 10.878 2.104 1.00 1.63 O ATOM 0 H GLY A 72 -6.621 8.331 -0.831 1.00 1.84 H new ATOM 0 HA2 GLY A 72 -5.293 10.104 -0.503 1.00 1.87 H new ATOM 0 HA3 GLY A 72 -6.641 10.961 0.219 1.00 1.87 H new ATOM 1136 N LYS A 73 -5.520 8.752 2.251 1.00 1.31 N ATOM 1137 CA LYS A 73 -4.922 8.556 3.568 1.00 1.09 C ATOM 1138 C LYS A 73 -3.801 7.515 3.526 1.00 0.83 C ATOM 1139 O LYS A 73 -4.004 6.401 3.045 1.00 0.79 O ATOM 1140 CB LYS A 73 -5.993 8.114 4.568 1.00 1.27 C ATOM 1141 CG LYS A 73 -6.315 9.161 5.621 1.00 1.59 C ATOM 1142 CD LYS A 73 -6.618 8.520 6.966 1.00 1.98 C ATOM 1143 CE LYS A 73 -5.442 8.645 7.919 1.00 2.32 C ATOM 1144 NZ LYS A 73 -5.213 10.056 8.335 1.00 2.96 N ATOM 0 H LYS A 73 -6.008 7.938 1.878 1.00 1.31 H new ATOM 0 HA LYS A 73 -4.492 9.507 3.883 1.00 1.09 H new ATOM 0 HB2 LYS A 73 -6.905 7.866 4.024 1.00 1.27 H new ATOM 0 HB3 LYS A 73 -5.660 7.203 5.065 1.00 1.27 H new ATOM 0 HG2 LYS A 73 -5.474 9.846 5.724 1.00 1.59 H new ATOM 0 HG3 LYS A 73 -7.171 9.753 5.297 1.00 1.59 H new ATOM 0 HD2 LYS A 73 -7.496 8.993 7.406 1.00 1.98 H new ATOM 0 HD3 LYS A 73 -6.861 7.467 6.822 1.00 1.98 H new ATOM 0 HE2 LYS A 73 -5.623 8.031 8.801 1.00 2.32 H new ATOM 0 HE3 LYS A 73 -4.543 8.257 7.440 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 -4.684 10.072 9.230 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 -4.667 10.550 7.601 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 -6.128 10.532 8.465 1.00 2.96 H new ATOM 1158 N PRO A 74 -2.602 7.852 4.048 1.00 0.75 N ATOM 1159 CA PRO A 74 -1.469 6.922 4.078 1.00 0.64 C ATOM 1160 C PRO A 74 -1.721 5.771 5.041 1.00 0.53 C ATOM 1161 O PRO A 74 -2.254 5.973 6.132 1.00 0.75 O ATOM 1162 CB PRO A 74 -0.291 7.774 4.572 1.00 0.77 C ATOM 1163 CG PRO A 74 -0.763 9.190 4.518 1.00 0.87 C ATOM 1164 CD PRO A 74 -2.257 9.144 4.658 1.00 0.91 C ATOM 0 HA PRO A 74 -1.290 6.470 3.102 1.00 0.64 H new ATOM 0 HB2 PRO A 74 -0.005 7.495 5.586 1.00 0.77 H new ATOM 0 HB3 PRO A 74 0.587 7.630 3.942 1.00 0.77 H new ATOM 0 HG2 PRO A 74 -0.316 9.779 5.319 1.00 0.87 H new ATOM 0 HG3 PRO A 74 -0.475 9.660 3.577 1.00 0.87 H new ATOM 0 HD2 PRO A 74 -2.567 9.194 5.702 1.00 0.91 H new ATOM 0 HD3 PRO A 74 -2.737 9.976 4.143 1.00 0.91 H new ATOM 1172 N LEU A 75 -1.351 4.562 4.635 1.00 0.40 N ATOM 1173 CA LEU A 75 -1.563 3.395 5.480 1.00 0.49 C ATOM 1174 C LEU A 75 -0.266 2.631 5.748 1.00 0.46 C ATOM 1175 O LEU A 75 -0.143 1.963 6.774 1.00 0.62 O ATOM 1176 CB LEU A 75 -2.602 2.466 4.851 1.00 0.64 C ATOM 1177 CG LEU A 75 -2.115 1.655 3.651 1.00 0.86 C ATOM 1178 CD1 LEU A 75 -1.668 0.271 4.096 1.00 1.84 C ATOM 1179 CD2 LEU A 75 -3.211 1.549 2.598 1.00 1.32 C ATOM 0 H LEU A 75 -0.908 4.366 3.737 1.00 0.40 H new ATOM 0 HA LEU A 75 -1.933 3.755 6.440 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -2.956 1.775 5.615 1.00 0.64 H new ATOM 0 HB3 LEU A 75 -3.459 3.064 4.540 1.00 0.64 H new ATOM 0 HG LEU A 75 -1.262 2.169 3.208 1.00 0.86 H new ATOM 0 HD11 LEU A 75 -1.324 -0.296 3.231 1.00 1.84 H new ATOM 0 HD12 LEU A 75 -0.855 0.365 4.815 1.00 1.84 H new ATOM 0 HD13 LEU A 75 -2.505 -0.250 4.561 1.00 1.84 H new ATOM 0 HD21 LEU A 75 -2.847 0.968 1.751 1.00 1.32 H new ATOM 0 HD22 LEU A 75 -4.082 1.055 3.028 1.00 1.32 H new ATOM 0 HD23 LEU A 75 -3.489 2.547 2.261 1.00 1.32 H new ATOM 1191 N VAL A 76 0.699 2.719 4.835 1.00 0.32 N ATOM 1192 CA VAL A 76 1.966 2.010 5.021 1.00 0.29 C ATOM 1193 C VAL A 76 3.167 2.850 4.602 1.00 0.27 C ATOM 1194 O VAL A 76 3.113 3.584 3.617 1.00 0.35 O ATOM 1195 CB VAL A 76 1.996 0.693 4.225 1.00 0.36 C ATOM 1196 CG1 VAL A 76 1.853 0.972 2.741 1.00 0.37 C ATOM 1197 CG2 VAL A 76 3.283 -0.070 4.502 1.00 0.47 C ATOM 0 H VAL A 76 0.633 3.263 3.975 1.00 0.32 H new ATOM 0 HA VAL A 76 2.034 1.801 6.089 1.00 0.29 H new ATOM 0 HB VAL A 76 1.157 0.076 4.545 1.00 0.36 H new ATOM 0 HG11 VAL A 76 1.876 0.032 2.190 1.00 0.37 H new ATOM 0 HG12 VAL A 76 0.906 1.478 2.556 1.00 0.37 H new ATOM 0 HG13 VAL A 76 2.675 1.607 2.409 1.00 0.37 H new ATOM 0 HG21 VAL A 76 3.286 -0.998 3.930 1.00 0.47 H new ATOM 0 HG22 VAL A 76 4.138 0.540 4.209 1.00 0.47 H new ATOM 0 HG23 VAL A 76 3.349 -0.299 5.566 1.00 0.47 H new ATOM 1207 N ASP A 77 4.261 2.708 5.349 1.00 0.30 N ATOM 1208 CA ASP A 77 5.498 3.423 5.054 1.00 0.41 C ATOM 1209 C ASP A 77 6.534 2.449 4.512 1.00 0.38 C ATOM 1210 O ASP A 77 6.806 1.413 5.124 1.00 0.41 O ATOM 1211 CB ASP A 77 6.042 4.119 6.305 1.00 0.58 C ATOM 1212 CG ASP A 77 4.983 4.917 7.044 1.00 0.78 C ATOM 1213 OD1 ASP A 77 3.786 4.752 6.733 1.00 0.87 O ATOM 1214 OD2 ASP A 77 5.353 5.705 7.939 1.00 1.10 O ATOM 0 H ASP A 77 4.314 2.101 6.167 1.00 0.30 H new ATOM 0 HA ASP A 77 5.286 4.186 4.305 1.00 0.41 H new ATOM 0 HB2 ASP A 77 6.461 3.371 6.978 1.00 0.58 H new ATOM 0 HB3 ASP A 77 6.857 4.784 6.019 1.00 0.58 H new ATOM 1219 N ILE A 78 7.091 2.766 3.350 1.00 0.44 N ATOM 1220 CA ILE A 78 8.072 1.890 2.723 1.00 0.42 C ATOM 1221 C ILE A 78 9.239 2.673 2.140 1.00 0.41 C ATOM 1222 O ILE A 78 9.075 3.801 1.681 1.00 0.51 O ATOM 1223 CB ILE A 78 7.433 1.054 1.594 1.00 0.42 C ATOM 1224 CG1 ILE A 78 5.964 0.751 1.909 1.00 0.53 C ATOM 1225 CG2 ILE A 78 8.215 -0.233 1.380 1.00 0.48 C ATOM 1226 CD1 ILE A 78 5.017 1.835 1.445 1.00 0.86 C ATOM 0 H ILE A 78 6.882 3.616 2.826 1.00 0.44 H new ATOM 0 HA ILE A 78 8.440 1.231 3.509 1.00 0.42 H new ATOM 0 HB ILE A 78 7.468 1.635 0.672 1.00 0.42 H new ATOM 0 HG12 ILE A 78 5.685 -0.191 1.438 1.00 0.53 H new ATOM 0 HG13 ILE A 78 5.851 0.615 2.985 1.00 0.53 H new ATOM 0 HG21 ILE A 78 7.752 -0.812 0.581 1.00 0.48 H new ATOM 0 HG22 ILE A 78 9.242 0.007 1.106 1.00 0.48 H new ATOM 0 HG23 ILE A 78 8.212 -0.818 2.300 1.00 0.48 H new ATOM 0 HD11 ILE A 78 3.994 1.558 1.699 1.00 0.86 H new ATOM 0 HD12 ILE A 78 5.271 2.774 1.936 1.00 0.86 H new ATOM 0 HD13 ILE A 78 5.103 1.955 0.365 1.00 0.86 H new ATOM 1238 N GLU A 79 10.414 2.054 2.142 1.00 0.29 N ATOM 1239 CA GLU A 79 11.602 2.686 1.590 1.00 0.29 C ATOM 1240 C GLU A 79 11.860 2.152 0.190 1.00 0.47 C ATOM 1241 O GLU A 79 12.153 0.974 0.017 1.00 0.79 O ATOM 1242 CB GLU A 79 12.814 2.407 2.482 1.00 0.62 C ATOM 1243 CG GLU A 79 13.089 3.501 3.496 1.00 0.92 C ATOM 1244 CD GLU A 79 14.521 3.996 3.445 1.00 0.96 C ATOM 1245 OE1 GLU A 79 14.977 4.384 2.349 1.00 1.39 O ATOM 1246 OE2 GLU A 79 15.187 3.994 4.502 1.00 1.09 O ATOM 0 H GLU A 79 10.567 1.119 2.519 1.00 0.29 H new ATOM 0 HA GLU A 79 11.441 3.763 1.544 1.00 0.29 H new ATOM 0 HB2 GLU A 79 12.657 1.466 3.009 1.00 0.62 H new ATOM 0 HB3 GLU A 79 13.695 2.277 1.853 1.00 0.62 H new ATOM 0 HG2 GLU A 79 12.413 4.337 3.316 1.00 0.92 H new ATOM 0 HG3 GLU A 79 12.873 3.127 4.497 1.00 0.92 H new ATOM 1253 N THR A 80 11.744 3.022 -0.805 1.00 0.64 N ATOM 1254 CA THR A 80 11.959 2.626 -2.191 1.00 1.05 C ATOM 1255 C THR A 80 12.679 3.719 -2.972 1.00 1.00 C ATOM 1256 O THR A 80 12.626 4.893 -2.605 1.00 1.22 O ATOM 1257 CB THR A 80 10.629 2.289 -2.894 1.00 1.51 C ATOM 1258 OG1 THR A 80 9.623 3.238 -2.523 1.00 2.39 O ATOM 1259 CG2 THR A 80 10.165 0.884 -2.532 1.00 1.18 C ATOM 0 H THR A 80 11.503 4.005 -0.679 1.00 0.64 H new ATOM 0 HA THR A 80 12.583 1.732 -2.171 1.00 1.05 H new ATOM 0 HB THR A 80 10.792 2.335 -3.971 1.00 1.51 H new ATOM 0 HG1 THR A 80 8.782 3.017 -2.975 1.00 2.39 H new ATOM 0 HG21 THR A 80 9.225 0.669 -3.040 1.00 1.18 H new ATOM 0 HG22 THR A 80 10.919 0.161 -2.843 1.00 1.18 H new ATOM 0 HG23 THR A 80 10.019 0.816 -1.454 1.00 1.18 H new ATOM 1267 N GLU A 81 13.349 3.330 -4.051 1.00 1.27 N ATOM 1268 CA GLU A 81 14.074 4.284 -4.880 1.00 1.30 C ATOM 1269 C GLU A 81 13.132 5.370 -5.389 1.00 1.99 C ATOM 1270 O GLU A 81 11.945 5.125 -5.601 1.00 2.56 O ATOM 1271 CB GLU A 81 14.732 3.566 -6.061 1.00 1.53 C ATOM 1272 CG GLU A 81 15.668 4.450 -6.870 1.00 1.62 C ATOM 1273 CD GLU A 81 17.128 4.098 -6.664 1.00 2.40 C ATOM 1274 OE1 GLU A 81 17.578 4.085 -5.499 1.00 3.13 O ATOM 1275 OE2 GLU A 81 17.823 3.837 -7.669 1.00 2.85 O ATOM 0 H GLU A 81 13.405 2.363 -4.371 1.00 1.27 H new ATOM 0 HA GLU A 81 14.850 4.750 -4.273 1.00 1.30 H new ATOM 0 HB2 GLU A 81 15.290 2.707 -5.687 1.00 1.53 H new ATOM 0 HB3 GLU A 81 13.954 3.179 -6.719 1.00 1.53 H new ATOM 0 HG2 GLU A 81 15.422 4.360 -7.928 1.00 1.62 H new ATOM 0 HG3 GLU A 81 15.507 5.492 -6.593 1.00 1.62 H new ATOM 1282 N ALA A 82 13.666 6.576 -5.573 1.00 2.01 N ATOM 1283 CA ALA A 82 12.871 7.709 -6.046 1.00 2.67 C ATOM 1284 C ALA A 82 11.923 7.305 -7.173 1.00 3.02 C ATOM 1285 O ALA A 82 12.357 7.004 -8.285 1.00 3.10 O ATOM 1286 CB ALA A 82 13.784 8.836 -6.504 1.00 2.85 C ATOM 0 H ALA A 82 14.647 6.795 -5.402 1.00 2.01 H new ATOM 0 HA ALA A 82 12.261 8.057 -5.212 1.00 2.67 H new ATOM 0 HB1 ALA A 82 13.181 9.674 -6.854 1.00 2.85 H new ATOM 0 HB2 ALA A 82 14.407 9.161 -5.671 1.00 2.85 H new ATOM 0 HB3 ALA A 82 14.419 8.482 -7.316 1.00 2.85 H new ATOM 1292 N LEU A 83 10.628 7.306 -6.876 1.00 3.31 N ATOM 1293 CA LEU A 83 9.616 6.944 -7.862 1.00 3.73 C ATOM 1294 C LEU A 83 8.598 8.068 -8.031 1.00 4.31 C ATOM 1295 O LEU A 83 8.111 8.630 -7.050 1.00 4.31 O ATOM 1296 CB LEU A 83 8.905 5.653 -7.448 1.00 3.56 C ATOM 1297 CG LEU A 83 9.452 4.377 -8.091 1.00 3.51 C ATOM 1298 CD1 LEU A 83 10.296 3.599 -7.094 1.00 3.49 C ATOM 1299 CD2 LEU A 83 8.314 3.515 -8.618 1.00 3.60 C ATOM 0 H LEU A 83 10.254 7.554 -5.960 1.00 3.31 H new ATOM 0 HA LEU A 83 10.116 6.782 -8.817 1.00 3.73 H new ATOM 0 HB2 LEU A 83 8.970 5.552 -6.365 1.00 3.56 H new ATOM 0 HB3 LEU A 83 7.848 5.743 -7.697 1.00 3.56 H new ATOM 0 HG LEU A 83 10.086 4.658 -8.932 1.00 3.51 H new ATOM 0 HD11 LEU A 83 10.677 2.694 -7.568 1.00 3.49 H new ATOM 0 HD12 LEU A 83 11.132 4.216 -6.765 1.00 3.49 H new ATOM 0 HD13 LEU A 83 9.685 3.328 -6.233 1.00 3.49 H new ATOM 0 HD21 LEU A 83 8.722 2.612 -9.072 1.00 3.60 H new ATOM 0 HD22 LEU A 83 7.654 3.241 -7.795 1.00 3.60 H new ATOM 0 HD23 LEU A 83 7.750 4.074 -9.365 1.00 3.60 H new ATOM 1311 N LYS A 84 8.281 8.389 -9.279 1.00 4.85 N ATOM 1312 CA LYS A 84 7.320 9.445 -9.579 1.00 5.44 C ATOM 1313 C LYS A 84 6.002 9.212 -8.845 1.00 5.34 C ATOM 1314 O LYS A 84 5.231 10.146 -8.625 1.00 5.61 O ATOM 1315 CB LYS A 84 7.067 9.519 -11.086 1.00 6.29 C ATOM 1316 CG LYS A 84 6.475 8.245 -11.666 1.00 6.80 C ATOM 1317 CD LYS A 84 4.960 8.229 -11.544 1.00 7.13 C ATOM 1318 CE LYS A 84 4.289 8.451 -12.890 1.00 7.72 C ATOM 1319 NZ LYS A 84 2.809 8.302 -12.805 1.00 8.33 N ATOM 0 H LYS A 84 8.676 7.933 -10.102 1.00 4.85 H new ATOM 0 HA LYS A 84 7.742 10.390 -9.238 1.00 5.44 H new ATOM 0 HB2 LYS A 84 6.393 10.350 -11.293 1.00 6.29 H new ATOM 0 HB3 LYS A 84 8.007 9.737 -11.594 1.00 6.29 H new ATOM 0 HG2 LYS A 84 6.758 8.156 -12.715 1.00 6.80 H new ATOM 0 HG3 LYS A 84 6.892 7.381 -11.149 1.00 6.80 H new ATOM 0 HD2 LYS A 84 4.638 7.274 -11.129 1.00 7.13 H new ATOM 0 HD3 LYS A 84 4.642 9.003 -10.846 1.00 7.13 H new ATOM 0 HE2 LYS A 84 4.533 9.448 -13.257 1.00 7.72 H new ATOM 0 HE3 LYS A 84 4.684 7.739 -13.614 1.00 7.72 H new ATOM 0 HZ1 LYS A 84 2.390 8.461 -13.743 1.00 8.33 H new ATOM 0 HZ2 LYS A 84 2.575 7.343 -12.479 1.00 8.33 H new ATOM 0 HZ3 LYS A 84 2.428 8.998 -12.133 1.00 8.33 H new ATOM 1333 N ASP A 85 5.744 7.958 -8.476 1.00 5.08 N ATOM 1334 CA ASP A 85 4.513 7.598 -7.775 1.00 5.19 C ATOM 1335 C ASP A 85 4.193 8.589 -6.657 1.00 4.88 C ATOM 1336 O ASP A 85 3.070 9.083 -6.559 1.00 5.42 O ATOM 1337 CB ASP A 85 4.627 6.186 -7.199 1.00 4.91 C ATOM 1338 CG ASP A 85 3.467 5.301 -7.610 1.00 5.75 C ATOM 1339 OD1 ASP A 85 2.336 5.549 -7.142 1.00 6.12 O ATOM 1340 OD2 ASP A 85 3.688 4.360 -8.401 1.00 6.23 O ATOM 0 H ASP A 85 6.372 7.174 -8.651 1.00 5.08 H new ATOM 0 HA ASP A 85 3.699 7.631 -8.499 1.00 5.19 H new ATOM 0 HB2 ASP A 85 5.561 5.734 -7.532 1.00 4.91 H new ATOM 0 HB3 ASP A 85 4.670 6.242 -6.111 1.00 4.91 H new ATOM 1345 N LEU A 86 5.182 8.876 -5.818 1.00 4.16 N ATOM 1346 CA LEU A 86 4.992 9.809 -4.711 1.00 3.99 C ATOM 1347 C LEU A 86 5.905 11.025 -4.848 1.00 4.35 C ATOM 1348 O LEU A 86 5.576 12.113 -4.377 1.00 4.39 O ATOM 1349 CB LEU A 86 5.249 9.111 -3.374 1.00 3.28 C ATOM 1350 CG LEU A 86 4.486 9.695 -2.183 1.00 2.93 C ATOM 1351 CD1 LEU A 86 2.995 9.424 -2.319 1.00 3.28 C ATOM 1352 CD2 LEU A 86 5.016 9.121 -0.876 1.00 2.54 C ATOM 0 H LEU A 86 6.119 8.479 -5.882 1.00 4.16 H new ATOM 0 HA LEU A 86 3.958 10.154 -4.741 1.00 3.99 H new ATOM 0 HB2 LEU A 86 4.985 8.058 -3.474 1.00 3.28 H new ATOM 0 HB3 LEU A 86 6.317 9.153 -3.158 1.00 3.28 H new ATOM 0 HG LEU A 86 4.640 10.774 -2.172 1.00 2.93 H new ATOM 0 HD11 LEU A 86 2.469 9.847 -1.463 1.00 3.28 H new ATOM 0 HD12 LEU A 86 2.624 9.883 -3.236 1.00 3.28 H new ATOM 0 HD13 LEU A 86 2.823 8.348 -2.356 1.00 3.28 H new ATOM 0 HD21 LEU A 86 4.462 9.548 -0.040 1.00 2.54 H new ATOM 0 HD22 LEU A 86 4.893 8.038 -0.878 1.00 2.54 H new ATOM 0 HD23 LEU A 86 6.073 9.366 -0.773 1.00 2.54 H new ATOM 1364 N GLU A 87 7.051 10.837 -5.496 1.00 4.90 N ATOM 1365 CA GLU A 87 8.004 11.924 -5.691 1.00 5.65 C ATOM 1366 C GLU A 87 8.535 11.932 -7.120 1.00 5.80 C ATOM 1367 O GLU A 87 7.854 12.498 -8.001 1.00 5.45 O ATOM 1368 CB GLU A 87 9.166 11.796 -4.705 1.00 6.27 C ATOM 1369 CG GLU A 87 8.727 11.668 -3.256 1.00 6.31 C ATOM 1370 CD GLU A 87 8.884 12.963 -2.483 1.00 7.17 C ATOM 1371 OE1 GLU A 87 9.941 13.613 -2.624 1.00 7.79 O ATOM 1372 OE2 GLU A 87 7.951 13.328 -1.738 1.00 7.41 O ATOM 0 H GLU A 87 7.342 9.944 -5.894 1.00 4.90 H new ATOM 0 HA GLU A 87 7.484 12.865 -5.509 1.00 5.65 H new ATOM 0 HB2 GLU A 87 9.763 10.924 -4.973 1.00 6.27 H new ATOM 0 HB3 GLU A 87 9.812 12.668 -4.804 1.00 6.27 H new ATOM 0 HG2 GLU A 87 7.684 11.353 -3.223 1.00 6.31 H new ATOM 0 HG3 GLU A 87 9.311 10.886 -2.771 1.00 6.31 H new TER 1379 GLU A 87