USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot 180:sc= 0.215 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.223 X(o=0.44,f=0) USER MOD Set 2.1: A 7 THR OG1 : rot 111:sc= 0.526 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.092 USER MOD Single : A 1 MET CE :methyl 177:sc= -0.155 (180deg=-0.195) USER MOD Single : A 1 MET N :NH3+ -173:sc= 1.55 (180deg=1.3) USER MOD Single : A 2 GLN : amide:sc= 0.0906 K(o=0.091,f=-3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 144:sc= 0.689 (180deg=-0.147!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 1.56 (180deg=1.04) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0389 K(o=-0.039,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 41 GLN : amide:sc= 0.532 K(o=0.53,f=-2.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1 K(o=1,f=-5.2!) USER MOD Single : A 55 THR OG1 : rot -61:sc= 1.27 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 165:sc= 0.346 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 81:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0762 X(o=-0.076,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.086 -7.199 -4.224 1.00 9.67 N ATOM 2 CA MET A 1 11.892 -7.551 -2.803 1.00 10.38 C ATOM 3 C MET A 1 10.471 -7.883 -2.409 1.00 9.62 C ATOM 4 O MET A 1 9.576 -7.423 -3.132 1.00 9.62 O ATOM 5 CB MET A 1 12.479 -6.380 -1.896 1.00 13.77 C ATOM 6 CG MET A 1 11.651 -5.093 -1.927 1.00 16.29 C ATOM 7 SD MET A 1 12.498 -3.790 -1.005 1.00 17.17 S ATOM 8 CE MET A 1 10.948 -2.831 -0.821 1.00 16.11 C ATOM 0 H1 MET A 1 13.102 -7.104 -4.423 1.00 9.67 H new ATOM 0 H2 MET A 1 11.684 -7.947 -4.825 1.00 9.67 H new ATOM 0 H3 MET A 1 11.608 -6.298 -4.427 1.00 9.67 H new ATOM 0 HA MET A 1 12.436 -8.482 -2.640 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.547 -6.731 -0.866 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.494 -6.155 -2.224 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.494 -4.777 -2.958 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.666 -5.274 -1.496 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.139 -1.943 -0.218 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.587 -2.531 -1.805 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.195 -3.448 -0.331 1.00 16.11 H new ATOM 20 N GLN A 2 10.175 -8.665 -1.311 1.00 9.27 N ATOM 21 CA GLN A 2 8.801 -8.858 -0.855 1.00 9.07 C ATOM 22 C GLN A 2 8.385 -7.722 0.073 1.00 8.72 C ATOM 23 O GLN A 2 9.181 -7.130 0.833 1.00 8.22 O ATOM 24 CB GLN A 2 8.500 -10.139 -0.139 1.00 14.46 C ATOM 25 CG GLN A 2 8.966 -11.503 -0.791 1.00 17.01 C ATOM 26 CD GLN A 2 8.564 -11.539 -2.278 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.344 -11.576 -2.528 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.518 -11.326 -3.240 1.00 19.49 N ATOM 0 H GLN A 2 10.876 -9.152 -0.753 1.00 9.27 H new ATOM 0 HA GLN A 2 8.238 -8.885 -1.788 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.949 -10.077 0.852 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.421 -10.192 0.003 1.00 14.46 H new ATOM 0 HG2 GLN A 2 10.046 -11.611 -0.695 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.513 -12.342 -0.263 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.505 -11.305 -2.984 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.240 -11.189 -4.212 1.00 19.49 H new ATOM 37 N ILE A 3 7.066 -7.513 0.019 1.00 5.87 N ATOM 38 CA ILE A 3 6.373 -6.687 0.969 1.00 5.07 C ATOM 39 C ILE A 3 5.120 -7.466 1.402 1.00 4.01 C ATOM 40 O ILE A 3 4.526 -8.230 0.632 1.00 4.61 O ATOM 41 CB ILE A 3 6.051 -5.257 0.600 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.235 -5.176 -0.724 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.351 -4.404 0.499 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.521 -3.791 -0.884 1.00 10.83 C ATOM 0 H ILE A 3 6.461 -7.921 -0.694 1.00 5.87 H new ATOM 0 HA ILE A 3 7.081 -6.511 1.779 1.00 5.07 H new ATOM 0 HB ILE A 3 5.430 -4.846 1.396 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.900 -5.342 -1.571 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.491 -5.973 -0.742 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.094 -3.379 0.232 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.866 -4.411 1.460 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.004 -4.825 -0.266 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.963 -3.775 -1.820 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.836 -3.636 -0.050 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.267 -2.996 -0.893 1.00 10.83 H new ATOM 56 N PHE A 4 4.601 -7.176 2.607 1.00 4.55 N ATOM 57 CA PHE A 4 3.503 -7.826 3.183 1.00 4.68 C ATOM 58 C PHE A 4 2.466 -6.734 3.276 1.00 5.30 C ATOM 59 O PHE A 4 2.526 -5.834 4.148 1.00 5.58 O ATOM 60 CB PHE A 4 3.827 -8.512 4.594 1.00 4.83 C ATOM 61 CG PHE A 4 4.925 -9.561 4.487 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.936 -10.554 3.572 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.898 -9.425 5.429 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.971 -11.490 3.538 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.985 -10.340 5.388 1.00 10.61 C ATOM 66 CZ PHE A 4 7.020 -11.333 4.465 1.00 8.90 C ATOM 0 H PHE A 4 4.983 -6.441 3.202 1.00 4.55 H new ATOM 0 HA PHE A 4 3.168 -8.676 2.589 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.128 -7.745 5.308 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.922 -8.975 4.987 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.131 -10.625 2.855 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.846 -8.650 6.180 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.968 -12.304 2.828 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.792 -10.243 6.100 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.861 -12.010 4.440 1.00 8.90 H new ATOM 76 N VAL A 5 1.333 -6.701 2.429 1.00 4.44 N ATOM 77 CA VAL A 5 0.257 -5.767 2.660 1.00 3.87 C ATOM 78 C VAL A 5 -0.775 -6.508 3.511 1.00 4.93 C ATOM 79 O VAL A 5 -1.226 -7.660 3.245 1.00 6.84 O ATOM 80 CB VAL A 5 -0.480 -5.287 1.334 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.624 -4.340 1.713 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.557 -4.526 0.416 1.00 9.13 C ATOM 0 H VAL A 5 1.200 -7.313 1.624 1.00 4.44 H new ATOM 0 HA VAL A 5 0.678 -4.877 3.128 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.882 -6.146 0.796 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.134 -4.006 0.810 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.331 -4.863 2.357 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.221 -3.476 2.242 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.060 -4.193 -0.495 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.951 -3.662 0.951 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.376 -5.197 0.158 1.00 9.13 H new ATOM 92 N LYS A 6 -1.162 -5.908 4.639 1.00 6.04 N ATOM 93 CA LYS A 6 -2.052 -6.539 5.647 1.00 6.12 C ATOM 94 C LYS A 6 -3.350 -5.799 5.867 1.00 6.57 C ATOM 95 O LYS A 6 -3.366 -4.616 6.173 1.00 5.76 O ATOM 96 CB LYS A 6 -1.239 -6.647 6.906 1.00 7.45 C ATOM 97 CG LYS A 6 -1.900 -7.528 8.022 1.00 11.12 C ATOM 98 CD LYS A 6 -0.994 -8.156 9.058 1.00 14.54 C ATOM 99 CE LYS A 6 -1.805 -8.960 10.133 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.832 -9.474 11.133 1.00 20.55 N ATOM 0 H LYS A 6 -0.871 -4.964 4.891 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.378 -7.517 5.293 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.262 -7.064 6.660 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.068 -5.646 7.302 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.630 -6.911 8.546 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.453 -8.329 7.532 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.285 -8.822 8.565 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.411 -7.378 9.550 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.546 -8.320 10.612 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.348 -9.783 9.668 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.338 -10.014 11.864 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.142 -10.092 10.660 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.334 -8.675 11.576 1.00 20.55 H new ATOM 114 N THR A 7 -4.447 -6.556 5.633 1.00 7.41 N ATOM 115 CA THR A 7 -5.714 -6.028 5.648 1.00 7.48 C ATOM 116 C THR A 7 -6.205 -5.812 7.054 1.00 8.75 C ATOM 117 O THR A 7 -5.617 -6.269 8.007 1.00 8.58 O ATOM 118 CB THR A 7 -6.650 -6.874 4.853 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.931 -8.187 5.295 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.030 -7.063 3.427 1.00 9.17 C ATOM 0 H THR A 7 -4.413 -7.555 5.432 1.00 7.41 H new ATOM 0 HA THR A 7 -5.676 -5.047 5.174 1.00 7.48 H new ATOM 0 HB THR A 7 -7.589 -6.325 4.927 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.860 -8.237 5.602 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.694 -7.679 2.820 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.905 -6.090 2.953 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.060 -7.552 3.514 1.00 9.17 H new ATOM 128 N LEU A 8 -7.321 -5.110 7.249 1.00 9.84 N ATOM 129 CA LEU A 8 -7.940 -4.872 8.571 1.00 14.15 C ATOM 130 C LEU A 8 -8.461 -6.180 9.244 1.00 17.37 C ATOM 131 O LEU A 8 -8.323 -6.320 10.471 1.00 17.01 O ATOM 132 CB LEU A 8 -9.032 -3.854 8.322 1.00 16.63 C ATOM 133 CG LEU A 8 -9.610 -3.293 9.629 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.540 -2.434 10.402 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.715 -2.319 9.272 1.00 18.59 C ATOM 0 H LEU A 8 -7.837 -4.678 6.483 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.210 -4.498 9.289 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.634 -3.036 7.722 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.831 -4.315 7.742 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.944 -4.133 10.238 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.978 -2.050 11.323 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.678 -3.057 10.642 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.222 -1.600 9.776 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.144 -1.905 10.185 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.306 -1.512 8.664 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.491 -2.839 8.710 1.00 18.59 H new ATOM 147 N THR A 9 -8.917 -7.108 8.379 1.00 18.33 N ATOM 148 CA THR A 9 -9.360 -8.445 8.777 1.00 19.24 C ATOM 149 C THR A 9 -8.256 -9.436 8.946 1.00 19.48 C ATOM 150 O THR A 9 -8.511 -10.526 9.404 1.00 23.14 O ATOM 151 CB THR A 9 -10.317 -9.021 7.744 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.805 -8.977 6.411 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.616 -8.191 7.635 1.00 19.70 C ATOM 0 H THR A 9 -8.986 -6.941 7.375 1.00 18.33 H new ATOM 0 HA THR A 9 -9.838 -8.296 9.745 1.00 19.24 H new ATOM 0 HB THR A 9 -10.475 -10.041 8.094 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.463 -9.362 5.795 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.271 -8.637 6.886 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.123 -8.180 8.600 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.372 -7.170 7.341 1.00 19.70 H new ATOM 161 N GLY A 10 -7.046 -9.043 8.655 1.00 19.43 N ATOM 162 CA GLY A 10 -5.827 -9.736 9.037 1.00 18.74 C ATOM 163 C GLY A 10 -5.313 -10.639 7.999 1.00 17.62 C ATOM 164 O GLY A 10 -4.371 -11.373 8.261 1.00 19.74 O ATOM 0 H GLY A 10 -6.865 -8.193 8.121 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.061 -8.999 9.278 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.014 -10.309 9.945 1.00 18.74 H new ATOM 168 N LYS A 11 -5.684 -10.485 6.698 1.00 13.56 N ATOM 169 CA LYS A 11 -5.115 -11.272 5.688 1.00 11.91 C ATOM 170 C LYS A 11 -3.803 -10.659 5.269 1.00 10.18 C ATOM 171 O LYS A 11 -3.715 -9.458 4.980 1.00 9.10 O ATOM 172 CB LYS A 11 -6.061 -11.455 4.471 1.00 13.43 C ATOM 173 CG LYS A 11 -5.560 -12.425 3.402 1.00 16.69 C ATOM 174 CD LYS A 11 -6.482 -12.623 2.191 1.00 17.92 C ATOM 175 CE LYS A 11 -6.710 -11.379 1.270 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.797 -11.667 0.314 1.00 21.93 N ATOM 0 H LYS A 11 -6.377 -9.811 6.374 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.944 -12.271 6.089 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.029 -11.804 4.832 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.225 -10.482 4.008 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.593 -12.073 3.044 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.393 -13.395 3.869 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.073 -13.428 1.580 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.453 -12.960 2.554 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.964 -10.508 1.874 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.793 -11.138 0.732 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.354 -10.804 0.151 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.390 -11.992 -0.586 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.414 -12.408 0.703 1.00 21.93 H new ATOM 190 N THR A 12 -2.713 -11.407 5.194 1.00 9.63 N ATOM 191 CA THR A 12 -1.451 -10.873 4.719 1.00 9.85 C ATOM 192 C THR A 12 -1.401 -11.195 3.226 1.00 11.66 C ATOM 193 O THR A 12 -1.431 -12.359 2.845 1.00 12.33 O ATOM 194 CB THR A 12 -0.169 -11.420 5.325 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.014 -10.772 6.587 1.00 10.91 O ATOM 196 CG2 THR A 12 1.090 -10.979 4.559 1.00 9.63 C ATOM 0 H THR A 12 -2.680 -12.392 5.458 1.00 9.63 H new ATOM 0 HA THR A 12 -1.458 -9.820 5.000 1.00 9.85 H new ATOM 0 HB THR A 12 -0.252 -12.507 5.337 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.803 -11.094 7.022 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.974 -11.400 5.038 1.00 9.63 H new ATOM 0 HG22 THR A 12 1.032 -11.333 3.530 1.00 9.63 H new ATOM 0 HG23 THR A 12 1.158 -9.891 4.566 1.00 9.63 H new ATOM 204 N ILE A 13 -1.140 -10.182 2.380 1.00 10.42 N ATOM 205 CA ILE A 13 -0.931 -10.246 0.943 1.00 11.84 C ATOM 206 C ILE A 13 0.517 -9.941 0.617 1.00 10.55 C ATOM 207 O ILE A 13 1.097 -8.872 0.860 1.00 11.92 O ATOM 208 CB ILE A 13 -1.784 -9.271 0.084 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.167 -9.126 0.676 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.724 -9.864 -1.335 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.042 -8.301 -0.239 1.00 16.46 C ATOM 0 H ILE A 13 -1.066 -9.224 2.723 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.237 -11.260 0.686 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.418 -8.245 0.059 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.611 -10.110 0.826 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.103 -8.652 1.655 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.302 -9.239 -2.015 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.687 -9.903 -1.670 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.140 -10.871 -1.326 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.036 -8.204 0.198 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.603 -7.311 -0.367 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.119 -8.792 -1.209 1.00 16.46 H new ATOM 223 N THR A 14 1.190 -10.937 0.093 1.00 9.39 N ATOM 224 CA THR A 14 2.624 -10.823 -0.356 1.00 9.63 C ATOM 225 C THR A 14 2.726 -10.353 -1.745 1.00 11.20 C ATOM 226 O THR A 14 2.224 -10.963 -2.638 1.00 11.63 O ATOM 227 CB THR A 14 3.330 -12.099 -0.277 1.00 10.38 C ATOM 228 OG1 THR A 14 3.311 -12.573 1.058 1.00 16.30 O ATOM 229 CG2 THR A 14 4.845 -11.963 -0.588 1.00 11.66 C ATOM 0 H THR A 14 0.790 -11.865 -0.049 1.00 9.39 H new ATOM 0 HA THR A 14 3.080 -10.102 0.323 1.00 9.63 H new ATOM 0 HB THR A 14 2.831 -12.752 -0.993 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.784 -13.430 1.108 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.321 -12.941 -0.515 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.976 -11.570 -1.596 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.304 -11.282 0.129 1.00 11.66 H new ATOM 237 N LEU A 15 3.421 -9.215 -1.950 1.00 8.29 N ATOM 238 CA LEU A 15 3.432 -8.573 -3.296 1.00 9.03 C ATOM 239 C LEU A 15 4.915 -8.276 -3.514 1.00 8.59 C ATOM 240 O LEU A 15 5.667 -8.183 -2.571 1.00 7.79 O ATOM 241 CB LEU A 15 2.636 -7.247 -3.245 1.00 11.08 C ATOM 242 CG LEU A 15 1.097 -7.452 -3.127 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.455 -6.077 -3.039 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.645 -8.303 -4.364 1.00 15.27 C ATOM 0 H LEU A 15 3.965 -8.731 -1.236 1.00 8.29 H new ATOM 0 HA LEU A 15 2.988 -9.187 -4.080 1.00 9.03 H new ATOM 0 HB2 LEU A 15 2.982 -6.657 -2.397 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.850 -6.669 -4.144 1.00 11.08 H new ATOM 0 HG LEU A 15 0.790 -7.998 -2.235 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.626 -6.185 -2.955 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.836 -5.553 -2.163 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.694 -5.506 -3.936 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.431 -8.469 -4.318 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.891 -7.769 -5.282 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.161 -9.263 -4.353 1.00 15.27 H new ATOM 256 N GLU A 16 5.333 -8.216 -4.780 1.00 11.04 N ATOM 257 CA GLU A 16 6.697 -8.166 -5.234 1.00 11.50 C ATOM 258 C GLU A 16 6.906 -6.773 -5.800 1.00 10.13 C ATOM 259 O GLU A 16 6.125 -6.304 -6.544 1.00 9.83 O ATOM 260 CB GLU A 16 6.826 -9.201 -6.386 1.00 17.22 C ATOM 261 CG GLU A 16 8.174 -9.256 -7.125 1.00 23.33 C ATOM 262 CD GLU A 16 9.272 -9.769 -6.192 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.425 -11.026 -6.166 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.034 -8.999 -5.533 1.00 28.86 O ATOM 0 H GLU A 16 4.672 -8.201 -5.556 1.00 11.04 H new ATOM 0 HA GLU A 16 7.417 -8.381 -4.444 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.623 -10.191 -5.977 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.046 -8.992 -7.118 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.093 -9.908 -7.995 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.435 -8.264 -7.493 1.00 23.33 H new ATOM 271 N VAL A 17 7.905 -6.062 -5.365 1.00 8.99 N ATOM 272 CA VAL A 17 8.137 -4.639 -5.622 1.00 8.85 C ATOM 273 C VAL A 17 9.658 -4.422 -5.713 1.00 8.04 C ATOM 274 O VAL A 17 10.488 -5.087 -5.113 1.00 8.99 O ATOM 275 CB VAL A 17 7.636 -3.678 -4.491 1.00 9.78 C ATOM 276 CG1 VAL A 17 6.136 -3.732 -4.284 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.307 -3.953 -3.150 1.00 10.54 C ATOM 0 H VAL A 17 8.636 -6.471 -4.782 1.00 8.99 H new ATOM 0 HA VAL A 17 7.584 -4.403 -6.531 1.00 8.85 H new ATOM 0 HB VAL A 17 7.912 -2.684 -4.844 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.854 -3.044 -3.487 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.631 -3.446 -5.207 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.843 -4.745 -4.009 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.923 -3.259 -2.402 1.00 10.54 H new ATOM 0 HG22 VAL A 17 8.094 -4.976 -2.839 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.385 -3.821 -3.248 1.00 10.54 H new ATOM 287 N GLU A 18 10.112 -3.374 -6.456 1.00 7.29 N ATOM 288 CA GLU A 18 11.328 -2.677 -6.185 1.00 7.08 C ATOM 289 C GLU A 18 10.991 -1.503 -5.275 1.00 6.45 C ATOM 290 O GLU A 18 9.840 -1.042 -5.258 1.00 5.28 O ATOM 291 CB GLU A 18 11.951 -2.138 -7.530 1.00 10.28 C ATOM 292 CG GLU A 18 12.616 -3.322 -8.319 1.00 12.65 C ATOM 293 CD GLU A 18 14.065 -3.501 -7.882 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.900 -2.607 -8.211 1.00 14.33 O ATOM 295 OE2 GLU A 18 14.394 -4.538 -7.317 1.00 18.17 O ATOM 0 H GLU A 18 9.609 -3.011 -7.266 1.00 7.29 H new ATOM 0 HA GLU A 18 12.050 -3.342 -5.711 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.177 -1.672 -8.139 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.693 -1.369 -7.315 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.060 -4.243 -8.143 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.574 -3.123 -9.390 1.00 12.65 H new ATOM 302 N PRO A 19 11.954 -1.045 -4.442 1.00 7.24 N ATOM 303 CA PRO A 19 11.789 0.053 -3.499 1.00 7.07 C ATOM 304 C PRO A 19 11.517 1.355 -4.208 1.00 6.65 C ATOM 305 O PRO A 19 11.084 2.352 -3.654 1.00 6.37 O ATOM 306 CB PRO A 19 13.105 0.055 -2.658 1.00 7.61 C ATOM 307 CG PRO A 19 14.148 -0.501 -3.669 1.00 8.16 C ATOM 308 CD PRO A 19 13.367 -1.586 -4.424 1.00 7.49 C ATOM 0 HA PRO A 19 10.921 -0.072 -2.851 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.366 1.056 -2.314 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.022 -0.575 -1.772 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.509 0.276 -4.342 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.020 -0.913 -3.161 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.755 -1.733 -5.432 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.423 -2.549 -3.917 1.00 7.49 H new ATOM 316 N SER A 20 11.872 1.432 -5.443 1.00 6.80 N ATOM 317 CA SER A 20 11.777 2.586 -6.332 1.00 6.28 C ATOM 318 C SER A 20 10.379 2.740 -6.956 1.00 8.45 C ATOM 319 O SER A 20 10.042 3.800 -7.487 1.00 7.26 O ATOM 320 CB SER A 20 12.736 2.444 -7.535 1.00 8.57 C ATOM 321 OG SER A 20 12.514 1.213 -8.301 1.00 11.13 O ATOM 0 H SER A 20 12.276 0.626 -5.920 1.00 6.80 H new ATOM 0 HA SER A 20 12.021 3.442 -5.703 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.613 3.303 -8.194 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.765 2.462 -7.177 1.00 8.57 H new ATOM 0 HG SER A 20 13.145 1.175 -9.050 1.00 11.13 H new ATOM 327 N ASP A 21 9.572 1.720 -6.884 1.00 7.50 N ATOM 328 CA ASP A 21 8.174 1.751 -7.298 1.00 7.70 C ATOM 329 C ASP A 21 7.398 2.810 -6.536 1.00 7.08 C ATOM 330 O ASP A 21 7.600 3.173 -5.368 1.00 8.11 O ATOM 331 CB ASP A 21 7.556 0.337 -7.088 1.00 11.00 C ATOM 332 CG ASP A 21 8.096 -0.658 -8.094 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.626 -0.325 -9.150 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.934 -1.884 -7.849 1.00 14.36 O ATOM 0 H ASP A 21 9.865 0.811 -6.527 1.00 7.50 H new ATOM 0 HA ASP A 21 8.116 2.016 -8.354 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.774 -0.010 -6.078 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.471 0.395 -7.178 1.00 11.00 H new ATOM 339 N THR A 22 6.493 3.503 -7.221 1.00 5.37 N ATOM 340 CA THR A 22 5.616 4.532 -6.679 1.00 6.01 C ATOM 341 C THR A 22 4.466 3.868 -5.912 1.00 8.01 C ATOM 342 O THR A 22 3.942 2.845 -6.282 1.00 8.11 O ATOM 343 CB THR A 22 4.929 5.572 -7.629 1.00 8.92 C ATOM 344 OG1 THR A 22 4.114 4.986 -8.596 1.00 10.22 O ATOM 345 CG2 THR A 22 5.989 6.520 -8.259 1.00 9.65 C ATOM 0 H THR A 22 6.345 3.353 -8.219 1.00 5.37 H new ATOM 0 HA THR A 22 6.331 5.112 -6.096 1.00 6.01 H new ATOM 0 HB THR A 22 4.257 6.168 -7.011 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.714 5.685 -9.154 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.493 7.235 -8.915 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.513 7.056 -7.468 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.705 5.934 -8.836 1.00 9.65 H new ATOM 353 N ILE A 23 3.962 4.559 -4.903 1.00 8.32 N ATOM 354 CA ILE A 23 2.778 4.090 -4.118 1.00 9.92 C ATOM 355 C ILE A 23 1.559 3.671 -4.891 1.00 10.01 C ATOM 356 O ILE A 23 0.973 2.614 -4.679 1.00 8.71 O ATOM 357 CB ILE A 23 2.366 5.076 -3.015 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.623 5.512 -2.167 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.246 4.533 -2.140 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.509 4.407 -1.615 1.00 12.30 C ATOM 0 H ILE A 23 4.340 5.453 -4.589 1.00 8.32 H new ATOM 0 HA ILE A 23 3.169 3.171 -3.682 1.00 9.92 H new ATOM 0 HB ILE A 23 1.962 5.965 -3.500 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.240 6.161 -2.788 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.272 6.114 -1.328 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.992 5.268 -1.376 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.369 4.331 -2.755 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.573 3.610 -1.661 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.333 4.848 -1.054 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.923 3.766 -0.956 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.907 3.814 -2.439 1.00 12.30 H new ATOM 372 N GLU A 24 1.121 4.503 -5.839 1.00 9.54 N ATOM 373 CA GLU A 24 -0.031 4.183 -6.679 1.00 11.81 C ATOM 374 C GLU A 24 0.075 2.866 -7.528 1.00 11.14 C ATOM 375 O GLU A 24 -0.916 2.122 -7.715 1.00 10.62 O ATOM 376 CB GLU A 24 -0.257 5.462 -7.505 1.00 19.24 C ATOM 377 CG GLU A 24 -1.573 5.427 -8.269 1.00 27.76 C ATOM 378 CD GLU A 24 -1.762 6.771 -8.990 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.896 7.095 -9.866 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.750 7.476 -8.679 1.00 34.80 O ATOM 0 H GLU A 24 1.550 5.406 -6.043 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.895 3.925 -6.067 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.246 6.327 -6.842 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.566 5.589 -8.208 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.570 4.609 -8.990 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.402 5.246 -7.585 1.00 27.76 H new ATOM 387 N ASN A 25 1.287 2.573 -8.079 1.00 9.43 N ATOM 388 CA ASN A 25 1.550 1.251 -8.585 1.00 10.96 C ATOM 389 C ASN A 25 1.479 0.182 -7.578 1.00 9.68 C ATOM 390 O ASN A 25 1.151 -0.943 -7.947 1.00 9.33 O ATOM 391 CB ASN A 25 2.979 1.171 -9.144 1.00 16.78 C ATOM 392 CG ASN A 25 2.992 1.796 -10.549 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.392 1.200 -11.470 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.584 2.952 -10.829 1.00 24.70 N ATOM 0 H ASN A 25 2.059 3.233 -8.170 1.00 9.43 H new ATOM 0 HA ASN A 25 0.772 1.096 -9.333 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.672 1.699 -8.489 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.310 0.134 -9.188 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.542 3.331 -11.775 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.081 3.461 -10.098 1.00 24.70 H new ATOM 401 N VAL A 26 1.877 0.337 -6.317 1.00 6.52 N ATOM 402 CA VAL A 26 1.641 -0.789 -5.347 1.00 5.53 C ATOM 403 C VAL A 26 0.114 -0.992 -5.095 1.00 4.42 C ATOM 404 O VAL A 26 -0.390 -2.102 -5.041 1.00 3.40 O ATOM 405 CB VAL A 26 2.385 -0.483 -4.053 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.199 -1.575 -2.982 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.885 -0.207 -4.348 1.00 8.12 C ATOM 0 H VAL A 26 2.337 1.164 -5.937 1.00 6.52 H new ATOM 0 HA VAL A 26 2.020 -1.722 -5.764 1.00 5.53 H new ATOM 0 HB VAL A 26 1.945 0.420 -3.629 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.752 -1.301 -2.083 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.140 -1.672 -2.741 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.573 -2.525 -3.363 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.405 0.010 -3.415 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.331 -1.084 -4.816 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.973 0.647 -5.020 1.00 8.12 H new ATOM 417 N LYS A 27 -0.680 0.139 -5.119 1.00 2.64 N ATOM 418 CA LYS A 27 -2.128 0.147 -5.010 1.00 4.14 C ATOM 419 C LYS A 27 -2.747 -0.604 -6.186 1.00 5.58 C ATOM 420 O LYS A 27 -3.756 -1.284 -6.055 1.00 4.11 O ATOM 421 CB LYS A 27 -2.843 1.473 -4.834 1.00 3.97 C ATOM 422 CG LYS A 27 -2.456 2.250 -3.549 1.00 7.45 C ATOM 423 CD LYS A 27 -3.111 3.639 -3.503 1.00 9.02 C ATOM 424 CE LYS A 27 -2.918 4.369 -2.182 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.674 5.650 -2.408 1.00 15.47 N ATOM 0 H LYS A 27 -0.287 1.075 -5.218 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.286 -0.348 -4.052 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.633 2.101 -5.700 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.918 1.293 -4.824 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.758 1.677 -2.673 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.372 2.357 -3.502 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.701 4.250 -4.307 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.179 3.533 -3.695 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.320 3.803 -1.342 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.865 4.551 -1.968 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.436 6.331 -1.658 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.414 6.048 -3.333 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.696 5.458 -2.389 1.00 15.47 H new ATOM 439 N ALA A 28 -2.114 -0.580 -7.377 1.00 6.61 N ATOM 440 CA ALA A 28 -2.576 -1.470 -8.456 1.00 7.74 C ATOM 441 C ALA A 28 -2.488 -3.015 -8.199 1.00 9.17 C ATOM 442 O ALA A 28 -3.435 -3.746 -8.528 1.00 11.45 O ATOM 443 CB ALA A 28 -1.654 -1.188 -9.680 1.00 7.68 C ATOM 0 H ALA A 28 -1.319 0.016 -7.608 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.636 -1.250 -8.578 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.952 -1.823 -10.514 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.745 -0.141 -9.970 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.619 -1.402 -9.413 1.00 7.68 H new ATOM 449 N LYS A 29 -1.347 -3.489 -7.696 1.00 8.96 N ATOM 450 CA LYS A 29 -1.167 -4.850 -7.216 1.00 7.90 C ATOM 451 C LYS A 29 -2.124 -5.265 -6.158 1.00 6.92 C ATOM 452 O LYS A 29 -2.478 -6.410 -6.082 1.00 6.87 O ATOM 453 CB LYS A 29 0.273 -5.047 -6.711 1.00 10.28 C ATOM 454 CG LYS A 29 1.321 -4.601 -7.735 1.00 14.94 C ATOM 455 CD LYS A 29 2.684 -4.607 -6.997 1.00 19.69 C ATOM 456 CE LYS A 29 3.864 -3.938 -7.715 1.00 22.63 C ATOM 457 NZ LYS A 29 4.011 -4.323 -9.131 1.00 24.98 N ATOM 0 H LYS A 29 -0.505 -2.919 -7.611 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.370 -5.489 -8.075 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.410 -4.485 -5.787 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.429 -6.099 -6.471 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.340 -5.276 -8.591 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.091 -3.607 -8.118 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.550 -4.116 -6.033 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.954 -5.643 -6.792 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.744 -2.856 -7.655 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.784 -4.186 -7.186 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.829 -3.829 -9.542 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.158 -5.350 -9.198 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.150 -4.062 -9.653 1.00 24.98 H new ATOM 471 N ILE A 30 -2.606 -4.337 -5.296 1.00 4.57 N ATOM 472 CA ILE A 30 -3.665 -4.443 -4.270 1.00 5.58 C ATOM 473 C ILE A 30 -5.028 -4.499 -4.992 1.00 7.26 C ATOM 474 O ILE A 30 -5.946 -5.216 -4.562 1.00 9.46 O ATOM 475 CB ILE A 30 -3.565 -3.338 -3.177 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.166 -3.325 -2.451 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.815 -3.357 -2.239 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.021 -2.211 -1.488 1.00 2.00 C ATOM 0 H ILE A 30 -2.218 -3.394 -5.306 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.538 -5.364 -3.701 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.597 -2.365 -3.667 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.027 -4.271 -1.927 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.376 -3.256 -3.199 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.717 -2.575 -1.486 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.715 -3.182 -2.829 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.886 -4.327 -1.747 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.037 -2.258 -1.022 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.129 -1.261 -2.011 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.790 -2.292 -0.720 1.00 2.00 H new ATOM 490 N GLN A 31 -5.276 -3.700 -6.080 1.00 7.06 N ATOM 491 CA GLN A 31 -6.502 -3.592 -6.820 1.00 8.67 C ATOM 492 C GLN A 31 -6.898 -4.937 -7.561 1.00 10.90 C ATOM 493 O GLN A 31 -8.045 -5.402 -7.623 1.00 9.63 O ATOM 494 CB GLN A 31 -6.371 -2.473 -7.840 1.00 9.12 C ATOM 495 CG GLN A 31 -7.597 -2.236 -8.723 1.00 10.76 C ATOM 496 CD GLN A 31 -7.366 -1.081 -9.633 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.043 -0.042 -9.570 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.382 -1.230 -10.580 1.00 14.76 N ATOM 0 H GLN A 31 -4.552 -3.089 -6.458 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.295 -3.377 -6.104 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.143 -1.548 -7.310 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.519 -2.690 -8.484 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.810 -3.131 -9.308 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.471 -2.047 -8.100 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.836 -2.091 -10.617 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.198 -0.480 -11.246 1.00 14.76 H new ATOM 507 N ASP A 32 -5.810 -5.554 -8.086 1.00 10.93 N ATOM 508 CA ASP A 32 -5.866 -6.773 -8.856 1.00 14.01 C ATOM 509 C ASP A 32 -6.336 -7.902 -7.946 1.00 14.04 C ATOM 510 O ASP A 32 -7.338 -8.579 -8.220 1.00 13.39 O ATOM 511 CB ASP A 32 -4.490 -7.046 -9.438 1.00 18.01 C ATOM 512 CG ASP A 32 -4.509 -8.091 -10.480 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.595 -8.596 -10.846 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.404 -8.313 -11.115 1.00 25.17 O ATOM 0 H ASP A 32 -4.863 -5.193 -7.971 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.571 -6.689 -9.683 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.090 -6.125 -9.861 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.815 -7.349 -8.638 1.00 18.01 H new ATOM 519 N LYS A 33 -5.763 -7.962 -6.728 1.00 14.22 N ATOM 520 CA LYS A 33 -6.110 -8.977 -5.766 1.00 14.00 C ATOM 521 C LYS A 33 -7.489 -8.759 -5.149 1.00 12.37 C ATOM 522 O LYS A 33 -8.330 -9.642 -5.155 1.00 12.17 O ATOM 523 CB LYS A 33 -5.077 -9.033 -4.634 1.00 18.62 C ATOM 524 CG LYS A 33 -3.675 -9.451 -5.157 1.00 24.00 C ATOM 525 CD LYS A 33 -3.540 -10.983 -5.352 1.00 27.61 C ATOM 526 CE LYS A 33 -2.091 -11.271 -5.760 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.918 -12.692 -5.377 1.00 30.06 N ATOM 0 H LYS A 33 -5.054 -7.304 -6.404 1.00 14.22 H new ATOM 0 HA LYS A 33 -6.123 -9.918 -6.317 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -5.010 -8.057 -4.153 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.408 -9.741 -3.874 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.482 -8.950 -6.106 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.914 -9.110 -4.455 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.791 -11.510 -4.431 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -4.231 -11.334 -6.119 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.933 -11.118 -6.828 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.387 -10.623 -5.238 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.953 -13.000 -5.613 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.075 -12.798 -4.354 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.604 -13.277 -5.895 1.00 30.06 H new ATOM 541 N GLU A 34 -7.821 -7.543 -4.642 1.00 10.11 N ATOM 542 CA GLU A 34 -8.978 -7.396 -3.797 1.00 10.07 C ATOM 543 C GLU A 34 -10.041 -6.439 -4.358 1.00 9.32 C ATOM 544 O GLU A 34 -10.922 -6.054 -3.632 1.00 11.61 O ATOM 545 CB GLU A 34 -8.552 -6.798 -2.452 1.00 14.77 C ATOM 546 CG GLU A 34 -7.350 -7.517 -1.721 1.00 18.75 C ATOM 547 CD GLU A 34 -7.763 -8.934 -1.407 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.723 -9.134 -0.569 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.149 -9.923 -1.808 1.00 25.19 O ATOM 0 H GLU A 34 -7.300 -6.683 -4.813 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.405 -8.395 -3.716 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.282 -5.754 -2.611 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.414 -6.806 -1.785 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.463 -7.512 -2.355 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.091 -6.986 -0.805 1.00 18.75 H new ATOM 556 N GLY A 35 -9.886 -5.889 -5.582 1.00 7.22 N ATOM 557 CA GLY A 35 -10.976 -5.125 -6.270 1.00 6.29 C ATOM 558 C GLY A 35 -11.055 -3.665 -5.869 1.00 6.93 C ATOM 559 O GLY A 35 -11.874 -2.954 -6.436 1.00 7.41 O ATOM 0 H GLY A 35 -9.023 -5.954 -6.121 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.825 -5.187 -7.348 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.932 -5.602 -6.054 1.00 6.29 H new ATOM 563 N ILE A 36 -10.230 -3.103 -4.987 1.00 5.86 N ATOM 564 CA ILE A 36 -10.347 -1.727 -4.441 1.00 6.07 C ATOM 565 C ILE A 36 -9.679 -0.714 -5.338 1.00 6.36 C ATOM 566 O ILE A 36 -8.541 -1.007 -5.721 1.00 6.18 O ATOM 567 CB ILE A 36 -9.725 -1.567 -3.039 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.097 -2.781 -2.055 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.281 -0.287 -2.384 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.669 -2.509 -0.622 1.00 9.49 C ATOM 0 H ILE A 36 -9.425 -3.603 -4.610 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.421 -1.551 -4.379 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.644 -1.535 -3.178 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.173 -2.954 -2.085 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.617 -3.694 -2.409 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.846 -0.167 -1.392 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.026 0.576 -2.999 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.365 -0.364 -2.298 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.941 -3.357 0.006 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.589 -2.363 -0.586 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.169 -1.612 -0.257 1.00 9.49 H new ATOM 582 N PRO A 37 -10.134 0.457 -5.788 1.00 8.65 N ATOM 583 CA PRO A 37 -9.463 1.373 -6.612 1.00 9.18 C ATOM 584 C PRO A 37 -8.455 2.172 -5.746 1.00 9.85 C ATOM 585 O PRO A 37 -8.700 2.333 -4.521 1.00 8.51 O ATOM 586 CB PRO A 37 -10.570 2.269 -7.197 1.00 11.42 C ATOM 587 CG PRO A 37 -11.754 2.178 -6.194 1.00 9.27 C ATOM 588 CD PRO A 37 -11.566 0.775 -5.799 1.00 8.33 C ATOM 0 HA PRO A 37 -8.890 0.908 -7.414 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.226 3.298 -7.305 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.868 1.927 -8.188 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -11.661 2.873 -5.359 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.722 2.365 -6.658 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -11.995 0.604 -4.812 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.090 0.118 -6.493 1.00 8.33 H new ATOM 596 N PRO A 38 -7.355 2.762 -6.276 1.00 8.71 N ATOM 597 CA PRO A 38 -6.424 3.468 -5.394 1.00 9.08 C ATOM 598 C PRO A 38 -6.874 4.669 -4.554 1.00 9.28 C ATOM 599 O PRO A 38 -6.437 4.863 -3.407 1.00 6.50 O ATOM 600 CB PRO A 38 -5.374 3.915 -6.440 1.00 10.31 C ATOM 601 CG PRO A 38 -5.314 2.805 -7.434 1.00 10.81 C ATOM 602 CD PRO A 38 -6.717 2.265 -7.455 1.00 12.00 C ATOM 0 HA PRO A 38 -6.142 2.806 -4.575 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.665 4.852 -6.914 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.402 4.081 -5.976 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.009 3.164 -8.417 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.596 2.041 -7.137 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.246 2.591 -8.350 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.714 1.175 -7.466 1.00 12.00 H new ATOM 610 N ASP A 39 -7.768 5.499 -5.125 1.00 11.20 N ATOM 611 CA ASP A 39 -8.473 6.533 -4.446 1.00 14.96 C ATOM 612 C ASP A 39 -9.266 6.060 -3.265 1.00 13.99 C ATOM 613 O ASP A 39 -9.509 6.792 -2.280 1.00 13.75 O ATOM 614 CB ASP A 39 -9.343 7.278 -5.464 1.00 24.16 C ATOM 615 CG ASP A 39 -8.443 7.959 -6.476 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.887 9.035 -6.204 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.204 7.344 -7.567 1.00 35.55 O ATOM 0 H ASP A 39 -8.008 5.441 -6.115 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.738 7.212 -4.014 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.015 6.582 -5.966 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.967 8.015 -4.958 1.00 24.16 H new ATOM 622 N GLN A 40 -9.727 4.792 -3.262 1.00 11.60 N ATOM 623 CA GLN A 40 -10.410 4.246 -2.052 1.00 10.76 C ATOM 624 C GLN A 40 -9.385 3.422 -1.207 1.00 8.01 C ATOM 625 O GLN A 40 -9.794 2.831 -0.215 1.00 8.96 O ATOM 626 CB GLN A 40 -11.588 3.436 -2.394 1.00 11.14 C ATOM 627 CG GLN A 40 -12.743 4.239 -3.014 1.00 14.85 C ATOM 628 CD GLN A 40 -14.038 3.488 -3.043 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.308 2.623 -3.898 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.919 3.665 -2.020 1.00 18.16 N ATOM 0 H GLN A 40 -9.648 4.143 -4.045 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.777 5.085 -1.460 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.288 2.654 -3.091 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.948 2.939 -1.493 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.879 5.162 -2.450 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.473 4.524 -4.031 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.732 4.364 -1.301 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.766 3.099 -1.973 1.00 18.16 H new ATOM 639 N GLN A 41 -8.074 3.423 -1.517 1.00 6.52 N ATOM 640 CA GLN A 41 -7.104 2.760 -0.661 1.00 3.87 C ATOM 641 C GLN A 41 -6.310 3.699 0.217 1.00 4.79 C ATOM 642 O GLN A 41 -5.696 4.678 -0.301 1.00 6.34 O ATOM 643 CB GLN A 41 -6.139 1.877 -1.442 1.00 4.20 C ATOM 644 CG GLN A 41 -6.871 0.811 -2.204 1.00 3.20 C ATOM 645 CD GLN A 41 -5.768 -0.016 -2.924 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.561 -0.088 -2.531 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.177 -0.587 -4.062 1.00 7.13 N ATOM 0 H GLN A 41 -7.679 3.871 -2.343 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.719 2.138 -0.011 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.561 2.490 -2.134 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.429 1.415 -0.756 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.458 0.183 -1.534 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.565 1.248 -2.922 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.153 -0.511 -4.349 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.513 -1.099 -4.643 1.00 7.13 H new ATOM 656 N ARG A 42 -6.337 3.547 1.525 1.00 5.73 N ATOM 657 CA ARG A 42 -5.689 4.383 2.479 1.00 6.97 C ATOM 658 C ARG A 42 -4.689 3.535 3.194 1.00 7.15 C ATOM 659 O ARG A 42 -5.001 2.552 3.893 1.00 7.33 O ATOM 660 CB ARG A 42 -6.673 5.087 3.417 1.00 13.23 C ATOM 661 CG ARG A 42 -5.995 6.136 4.330 1.00 21.27 C ATOM 662 CD ARG A 42 -6.479 6.081 5.811 1.00 26.14 C ATOM 663 NE ARG A 42 -5.763 7.188 6.495 1.00 32.26 N ATOM 664 CZ ARG A 42 -5.670 7.313 7.822 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.529 6.697 8.608 1.00 35.30 N ATOM 666 NH2 ARG A 42 -4.581 7.859 8.382 1.00 36.39 N ATOM 0 H ARG A 42 -6.849 2.782 1.965 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.181 5.207 1.979 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.446 5.576 2.823 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -7.171 4.342 4.037 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.916 5.985 4.303 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.188 7.132 3.930 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.559 6.210 5.877 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.244 5.119 6.267 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.314 7.897 5.915 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.268 6.122 8.204 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.455 6.795 9.621 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -3.813 8.184 7.794 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -4.520 7.950 9.396 1.00 36.39 H new ATOM 680 N LEU A 43 -3.352 3.853 2.923 1.00 4.65 N ATOM 681 CA LEU A 43 -2.239 2.948 3.244 1.00 3.51 C ATOM 682 C LEU A 43 -1.415 3.577 4.371 1.00 5.56 C ATOM 683 O LEU A 43 -0.958 4.748 4.353 1.00 4.19 O ATOM 684 CB LEU A 43 -1.286 2.711 2.073 1.00 3.74 C ATOM 685 CG LEU A 43 -1.912 1.849 1.000 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.785 1.554 -0.014 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.561 0.500 1.450 1.00 6.41 C ATOM 0 H LEU A 43 -3.060 4.728 2.487 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.683 1.991 3.517 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.994 3.669 1.644 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.376 2.234 2.437 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.758 2.411 0.604 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.174 0.931 -0.820 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.413 2.491 -0.427 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.029 1.031 0.488 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.970 -0.015 0.581 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.805 -0.128 1.921 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.361 0.701 2.163 1.00 6.41 H new ATOM 699 N ILE A 44 -1.221 2.718 5.424 1.00 4.58 N ATOM 700 CA ILE A 44 -0.597 3.117 6.693 1.00 5.55 C ATOM 701 C ILE A 44 0.677 2.349 6.876 1.00 5.46 C ATOM 702 O ILE A 44 0.653 1.129 6.924 1.00 6.04 O ATOM 703 CB ILE A 44 -1.515 2.857 7.931 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.889 3.435 7.669 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.869 3.297 9.259 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.798 5.010 7.644 1.00 13.90 C ATOM 0 H ILE A 44 -1.498 1.737 5.398 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.414 4.190 6.636 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.642 1.783 8.064 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.276 3.067 6.719 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.585 3.112 8.443 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.553 3.092 10.082 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.059 2.746 9.412 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.655 4.365 9.223 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.787 5.429 7.455 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.429 5.368 8.605 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.115 5.322 6.854 1.00 13.90 H new ATOM 718 N PHE A 45 1.799 2.999 7.106 1.00 6.75 N ATOM 719 CA PHE A 45 3.051 2.317 7.425 1.00 4.70 C ATOM 720 C PHE A 45 3.657 2.896 8.700 1.00 6.34 C ATOM 721 O PHE A 45 4.143 4.038 8.738 1.00 5.45 O ATOM 722 CB PHE A 45 4.058 2.538 6.257 1.00 5.51 C ATOM 723 CG PHE A 45 5.454 1.943 6.450 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.607 0.549 6.636 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.624 2.712 6.414 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.828 -0.080 6.827 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.874 2.167 6.621 1.00 6.64 C ATOM 728 CZ PHE A 45 7.974 0.788 6.963 1.00 6.84 C ATOM 0 H PHE A 45 1.876 4.016 7.079 1.00 6.75 H new ATOM 0 HA PHE A 45 2.851 1.255 7.567 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.628 2.116 5.349 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.162 3.610 6.092 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.717 -0.063 6.629 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.544 3.771 6.217 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.917 -1.155 6.871 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.761 2.775 6.525 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.910 0.390 7.325 1.00 6.84 H new ATOM 738 N ALA A 46 3.656 2.077 9.826 1.00 6.53 N ATOM 739 CA ALA A 46 4.216 2.457 11.085 1.00 7.15 C ATOM 740 C ALA A 46 3.596 3.756 11.601 1.00 9.00 C ATOM 741 O ALA A 46 4.272 4.628 12.105 1.00 11.15 O ATOM 742 CB ALA A 46 5.793 2.434 11.045 1.00 8.99 C ATOM 0 H ALA A 46 3.251 1.141 9.829 1.00 6.53 H new ATOM 0 HA ALA A 46 3.950 1.709 11.832 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.186 2.728 12.018 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.136 1.428 10.804 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.148 3.130 10.285 1.00 8.99 H new ATOM 748 N GLY A 47 2.232 3.929 11.396 1.00 9.35 N ATOM 749 CA GLY A 47 1.460 5.079 11.782 1.00 11.68 C ATOM 750 C GLY A 47 1.495 6.209 10.786 1.00 11.14 C ATOM 751 O GLY A 47 0.877 7.213 11.035 1.00 13.93 O ATOM 0 H GLY A 47 1.664 3.217 10.937 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.424 4.774 11.932 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.827 5.444 12.741 1.00 11.68 H new ATOM 755 N LYS A 48 2.187 6.104 9.620 1.00 10.47 N ATOM 756 CA LYS A 48 2.202 7.189 8.647 1.00 8.82 C ATOM 757 C LYS A 48 1.493 6.897 7.334 1.00 7.68 C ATOM 758 O LYS A 48 1.632 5.763 6.833 1.00 6.47 O ATOM 759 CB LYS A 48 3.620 7.581 8.305 1.00 9.74 C ATOM 760 CG LYS A 48 3.780 8.865 7.501 1.00 14.14 C ATOM 761 CD LYS A 48 3.264 10.122 8.202 1.00 16.32 C ATOM 762 CE LYS A 48 3.448 11.409 7.347 1.00 20.04 C ATOM 763 NZ LYS A 48 4.817 11.738 6.919 1.00 23.92 N ATOM 0 H LYS A 48 2.730 5.284 9.349 1.00 10.47 H new ATOM 0 HA LYS A 48 1.656 7.989 9.146 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.182 7.684 9.233 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.077 6.765 7.745 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.836 9.003 7.267 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.255 8.752 6.552 1.00 14.14 H new ATOM 0 HD2 LYS A 48 2.207 9.994 8.435 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.787 10.244 9.151 1.00 16.32 H new ATOM 0 HE2 LYS A 48 2.828 11.315 6.455 1.00 20.04 H new ATOM 0 HE3 LYS A 48 3.060 12.253 7.917 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 4.804 12.614 6.359 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.420 11.871 7.756 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.195 10.962 6.339 1.00 23.92 H new ATOM 777 N GLN A 49 0.740 7.866 6.758 1.00 8.89 N ATOM 778 CA GLN A 49 0.075 7.537 5.509 1.00 7.18 C ATOM 779 C GLN A 49 0.955 7.651 4.244 1.00 8.23 C ATOM 780 O GLN A 49 1.768 8.567 4.099 1.00 9.70 O ATOM 781 CB GLN A 49 -1.150 8.459 5.324 1.00 11.67 C ATOM 782 CG GLN A 49 -2.145 8.039 4.246 1.00 15.82 C ATOM 783 CD GLN A 49 -3.390 9.013 4.199 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.230 8.961 5.072 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.402 9.927 3.244 1.00 20.67 N ATOM 0 H GLN A 49 0.593 8.809 7.117 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.199 6.486 5.601 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.679 8.522 6.275 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.793 9.462 5.091 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.650 8.032 3.275 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.484 7.021 4.439 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.672 9.929 2.531 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.141 10.630 3.220 1.00 20.67 H new ATOM 794 N LEU A 50 0.701 6.782 3.270 1.00 6.51 N ATOM 795 CA LEU A 50 1.539 6.700 2.073 1.00 7.41 C ATOM 796 C LEU A 50 0.904 7.431 0.828 1.00 8.27 C ATOM 797 O LEU A 50 -0.232 7.092 0.532 1.00 8.34 O ATOM 798 CB LEU A 50 1.943 5.244 1.682 1.00 7.13 C ATOM 799 CG LEU A 50 2.560 4.407 2.777 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.675 3.037 2.202 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.895 4.990 3.265 1.00 9.11 C ATOM 0 H LEU A 50 -0.078 6.124 3.284 1.00 6.51 H new ATOM 0 HA LEU A 50 2.451 7.226 2.356 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.055 4.729 1.316 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.647 5.295 0.852 1.00 7.13 H new ATOM 0 HG LEU A 50 1.949 4.391 3.679 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.117 2.368 2.941 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.685 2.673 1.929 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.308 3.067 1.315 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.303 4.356 4.052 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.598 5.034 2.434 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.732 5.994 3.656 1.00 9.11 H new ATOM 813 N GLU A 51 1.615 8.394 0.202 1.00 9.43 N ATOM 814 CA GLU A 51 1.108 9.220 -0.983 1.00 11.90 C ATOM 815 C GLU A 51 1.417 8.774 -2.367 1.00 11.49 C ATOM 816 O GLU A 51 2.555 8.711 -2.755 1.00 9.88 O ATOM 817 CB GLU A 51 1.487 10.690 -0.874 1.00 16.56 C ATOM 818 CG GLU A 51 1.019 11.644 -2.007 1.00 26.06 C ATOM 819 CD GLU A 51 1.247 13.083 -1.672 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.608 13.631 -0.732 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.133 13.717 -2.321 1.00 33.44 O ATOM 0 H GLU A 51 2.563 8.643 0.484 1.00 9.43 H new ATOM 0 HA GLU A 51 0.038 9.049 -0.867 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.091 11.069 0.068 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.573 10.752 -0.811 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.551 11.399 -2.927 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.042 11.482 -2.199 1.00 26.06 H new ATOM 828 N ASP A 52 0.387 8.395 -3.187 1.00 12.71 N ATOM 829 CA ASP A 52 0.342 8.011 -4.557 1.00 16.56 C ATOM 830 C ASP A 52 1.547 8.284 -5.514 1.00 15.83 C ATOM 831 O ASP A 52 2.138 7.378 -6.080 1.00 17.21 O ATOM 832 CB ASP A 52 -0.965 8.474 -5.165 1.00 21.05 C ATOM 833 CG ASP A 52 -2.110 7.878 -4.349 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.517 8.600 -3.389 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.701 6.775 -4.605 1.00 25.82 O ATOM 0 H ASP A 52 -0.555 8.362 -2.798 1.00 12.71 H new ATOM 0 HA ASP A 52 0.430 6.927 -4.483 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.022 9.563 -5.160 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.034 8.156 -6.205 1.00 21.05 H new ATOM 840 N GLY A 53 2.003 9.570 -5.639 1.00 15.00 N ATOM 841 CA GLY A 53 3.083 10.069 -6.468 1.00 11.77 C ATOM 842 C GLY A 53 4.552 9.911 -6.006 1.00 11.10 C ATOM 843 O GLY A 53 5.499 10.321 -6.730 1.00 11.25 O ATOM 0 H GLY A 53 1.570 10.325 -5.107 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.995 9.584 -7.440 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.906 11.133 -6.625 1.00 11.77 H new ATOM 847 N ARG A 54 4.707 9.336 -4.830 1.00 8.53 N ATOM 848 CA ARG A 54 5.960 9.235 -4.145 1.00 9.05 C ATOM 849 C ARG A 54 6.344 7.779 -4.188 1.00 8.96 C ATOM 850 O ARG A 54 5.536 6.880 -4.472 1.00 11.60 O ATOM 851 CB ARG A 54 5.908 9.603 -2.667 1.00 7.97 C ATOM 852 CG ARG A 54 5.211 10.939 -2.325 1.00 9.62 C ATOM 853 CD ARG A 54 6.001 12.223 -2.549 1.00 12.20 C ATOM 854 NE ARG A 54 5.059 13.388 -2.413 1.00 18.23 N ATOM 855 CZ ARG A 54 5.329 14.665 -2.529 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.537 15.185 -2.805 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.363 15.522 -2.282 1.00 23.38 N ATOM 0 H ARG A 54 3.933 8.915 -4.316 1.00 8.53 H new ATOM 0 HA ARG A 54 6.649 9.924 -4.632 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.398 8.802 -2.132 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.929 9.641 -2.286 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.295 11.001 -2.913 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.915 10.905 -1.277 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.810 12.302 -1.823 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.459 12.219 -3.538 1.00 12.20 H new ATOM 0 HE ARG A 54 4.088 13.155 -2.204 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.338 14.569 -2.943 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.653 16.196 -2.876 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.439 15.185 -2.010 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.537 16.524 -2.362 1.00 23.38 H new ATOM 871 N THR A 55 7.603 7.456 -3.919 1.00 9.05 N ATOM 872 CA THR A 55 8.042 6.099 -3.871 1.00 9.03 C ATOM 873 C THR A 55 8.204 5.497 -2.537 1.00 8.15 C ATOM 874 O THR A 55 8.262 6.153 -1.506 1.00 5.91 O ATOM 875 CB THR A 55 9.430 5.866 -4.604 1.00 11.15 C ATOM 876 OG1 THR A 55 10.417 6.465 -3.824 1.00 11.95 O ATOM 877 CG2 THR A 55 9.474 6.515 -5.978 1.00 11.71 C ATOM 0 H THR A 55 8.336 8.140 -3.730 1.00 9.05 H new ATOM 0 HA THR A 55 7.208 5.612 -4.377 1.00 9.03 H new ATOM 0 HB THR A 55 9.577 4.793 -4.730 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.237 7.426 -3.750 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.444 6.327 -6.438 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.687 6.094 -6.604 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.322 7.590 -5.878 1.00 11.71 H new ATOM 885 N LEU A 56 8.381 4.177 -2.541 1.00 6.91 N ATOM 886 CA LEU A 56 8.567 3.363 -1.301 1.00 8.29 C ATOM 887 C LEU A 56 9.822 3.713 -0.529 1.00 8.05 C ATOM 888 O LEU A 56 9.898 3.761 0.681 1.00 10.17 O ATOM 889 CB LEU A 56 8.640 1.844 -1.702 1.00 6.60 C ATOM 890 CG LEU A 56 7.302 1.216 -2.215 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.719 -0.084 -2.886 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.246 0.931 -1.119 1.00 8.64 C ATOM 0 H LEU A 56 8.402 3.623 -3.397 1.00 6.91 H new ATOM 0 HA LEU A 56 7.719 3.578 -0.651 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.396 1.727 -2.478 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.980 1.274 -0.837 1.00 6.60 H new ATOM 0 HG LEU A 56 6.804 1.925 -2.877 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.837 -0.591 -3.276 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.405 0.133 -3.705 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.215 -0.726 -2.158 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.356 0.497 -1.575 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.657 0.233 -0.390 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.980 1.862 -0.619 1.00 8.64 H new ATOM 904 N SER A 57 10.898 4.074 -1.312 1.00 8.92 N ATOM 905 CA SER A 57 12.189 4.548 -0.794 1.00 9.00 C ATOM 906 C SER A 57 12.054 5.872 -0.111 1.00 9.44 C ATOM 907 O SER A 57 12.836 6.157 0.791 1.00 10.91 O ATOM 908 CB SER A 57 13.250 4.639 -1.875 1.00 10.32 C ATOM 909 OG SER A 57 14.573 4.919 -1.385 1.00 13.59 O ATOM 0 H SER A 57 10.869 4.035 -2.331 1.00 8.92 H new ATOM 0 HA SER A 57 12.511 3.803 -0.066 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.271 3.699 -2.427 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.965 5.418 -2.583 1.00 10.32 H new ATOM 0 HG SER A 57 15.199 4.961 -2.138 1.00 13.59 H new ATOM 915 N ASP A 58 10.997 6.617 -0.402 1.00 9.11 N ATOM 916 CA ASP A 58 10.753 7.906 0.252 1.00 7.91 C ATOM 917 C ASP A 58 10.087 7.681 1.605 1.00 9.12 C ATOM 918 O ASP A 58 9.935 8.588 2.417 1.00 8.61 O ATOM 919 CB ASP A 58 9.838 8.808 -0.601 1.00 8.41 C ATOM 920 CG ASP A 58 10.527 9.182 -1.875 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.631 9.711 -1.821 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.895 8.925 -2.968 1.00 11.70 O ATOM 0 H ASP A 58 10.289 6.355 -1.088 1.00 9.11 H new ATOM 0 HA ASP A 58 11.717 8.399 0.377 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.906 8.288 -0.822 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.577 9.707 -0.042 1.00 8.41 H new ATOM 927 N TYR A 59 9.635 6.456 1.970 1.00 7.97 N ATOM 928 CA TYR A 59 8.924 6.173 3.202 1.00 8.45 C ATOM 929 C TYR A 59 9.667 5.073 3.949 1.00 10.98 C ATOM 930 O TYR A 59 9.146 4.500 4.901 1.00 12.95 O ATOM 931 CB TYR A 59 7.477 5.683 2.932 1.00 7.94 C ATOM 932 CG TYR A 59 6.645 6.796 2.583 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.064 7.568 3.606 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.304 7.002 1.246 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.182 8.588 3.218 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.450 8.057 0.880 1.00 6.52 C ATOM 937 CZ TYR A 59 4.910 8.847 1.900 1.00 6.76 C ATOM 938 OH TYR A 59 3.944 9.767 1.536 1.00 7.63 O ATOM 0 H TYR A 59 9.768 5.629 1.388 1.00 7.97 H new ATOM 0 HA TYR A 59 8.875 7.093 3.784 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.476 4.950 2.126 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.081 5.184 3.817 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.288 7.383 4.646 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.700 6.345 0.485 1.00 6.98 H new ATOM 0 HE1 TYR A 59 4.704 9.186 3.980 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.218 8.251 -0.157 1.00 6.52 H new ATOM 0 HH TYR A 59 4.051 9.997 0.589 1.00 7.63 H new ATOM 948 N ASN A 60 10.931 4.840 3.483 1.00 12.38 N ATOM 949 CA ASN A 60 11.895 3.954 4.101 1.00 13.94 C ATOM 950 C ASN A 60 11.437 2.546 4.174 1.00 14.16 C ATOM 951 O ASN A 60 11.556 1.831 5.179 1.00 14.26 O ATOM 952 CB ASN A 60 12.375 4.372 5.501 1.00 19.23 C ATOM 953 CG ASN A 60 12.936 5.771 5.530 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.915 6.002 4.803 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.418 6.668 6.388 1.00 24.09 N ATOM 0 H ASN A 60 11.291 5.290 2.641 1.00 12.38 H new ATOM 0 HA ASN A 60 12.742 4.038 3.420 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.542 4.304 6.201 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.137 3.672 5.843 1.00 19.23 H new ATOM 0 HD21 ASN A 60 12.832 7.597 6.466 1.00 24.09 H new ATOM 0 HD22 ASN A 60 11.611 6.419 6.960 1.00 24.09 H new ATOM 962 N ILE A 61 10.822 2.014 3.121 1.00 11.08 N ATOM 963 CA ILE A 61 10.167 0.684 3.101 1.00 11.78 C ATOM 964 C ILE A 61 11.262 -0.247 2.553 1.00 13.74 C ATOM 965 O ILE A 61 11.655 -0.098 1.339 1.00 14.60 O ATOM 966 CB ILE A 61 8.846 0.748 2.240 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.819 1.535 3.138 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.351 -0.618 1.821 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.531 1.977 2.426 1.00 11.42 C ATOM 0 H ILE A 61 10.757 2.500 2.227 1.00 11.08 H new ATOM 0 HA ILE A 61 9.822 0.322 4.069 1.00 11.78 H new ATOM 0 HB ILE A 61 9.008 1.253 1.287 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.549 0.908 3.987 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.315 2.419 3.539 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.440 -0.510 1.232 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.115 -1.113 1.221 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.141 -1.217 2.707 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.891 2.510 3.129 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.783 2.635 1.594 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.004 1.100 2.049 1.00 11.42 H new ATOM 981 N GLN A 62 11.697 -1.182 3.359 1.00 13.97 N ATOM 982 CA GLN A 62 12.700 -2.113 2.989 1.00 15.52 C ATOM 983 C GLN A 62 12.024 -3.490 2.947 1.00 13.94 C ATOM 984 O GLN A 62 10.824 -3.693 3.173 1.00 12.15 O ATOM 985 CB GLN A 62 13.719 -2.113 4.121 1.00 19.53 C ATOM 986 CG GLN A 62 14.391 -0.787 4.438 1.00 26.38 C ATOM 987 CD GLN A 62 15.433 -0.887 5.556 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.572 -1.337 5.336 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.016 -0.558 6.763 1.00 32.71 N ATOM 0 H GLN A 62 11.348 -1.309 4.309 1.00 13.97 H new ATOM 0 HA GLN A 62 13.169 -1.878 2.033 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.223 -2.467 5.025 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.496 -2.838 3.879 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.871 -0.406 3.536 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.630 -0.061 4.724 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.073 -0.193 6.895 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.637 -0.669 7.565 1.00 32.71 H new ATOM 998 N LYS A 63 12.797 -4.462 2.369 1.00 11.73 N ATOM 999 CA LYS A 63 12.353 -5.822 2.075 1.00 11.97 C ATOM 1000 C LYS A 63 11.786 -6.462 3.366 1.00 10.41 C ATOM 1001 O LYS A 63 12.296 -6.322 4.462 1.00 9.59 O ATOM 1002 CB LYS A 63 13.556 -6.691 1.552 1.00 13.73 C ATOM 1003 CG LYS A 63 14.746 -6.806 2.431 1.00 16.98 C ATOM 1004 CD LYS A 63 15.860 -7.480 1.693 1.00 20.19 C ATOM 1005 CE LYS A 63 17.122 -7.761 2.547 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.212 -8.401 1.700 1.00 25.97 N ATOM 0 H LYS A 63 13.766 -4.295 2.097 1.00 11.73 H new ATOM 0 HA LYS A 63 11.583 -5.784 1.305 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.185 -7.696 1.354 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.881 -6.277 0.597 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.063 -5.816 2.761 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.494 -7.375 3.326 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.493 -8.424 1.290 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.143 -6.859 0.843 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.490 -6.830 2.979 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.866 -8.419 3.378 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 19.049 -8.581 2.290 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.864 -9.299 1.308 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.468 -7.760 0.922 1.00 25.97 H new ATOM 1020 N GLU A 64 10.616 -7.154 3.243 1.00 10.04 N ATOM 1021 CA GLU A 64 9.953 -7.920 4.303 1.00 10.94 C ATOM 1022 C GLU A 64 9.276 -7.002 5.414 1.00 9.74 C ATOM 1023 O GLU A 64 9.147 -7.411 6.567 1.00 9.42 O ATOM 1024 CB GLU A 64 10.819 -8.991 4.969 1.00 18.31 C ATOM 1025 CG GLU A 64 11.405 -10.006 3.977 1.00 24.16 C ATOM 1026 CD GLU A 64 12.171 -11.089 4.636 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.589 -11.860 5.395 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.404 -11.223 4.329 1.00 31.72 O ATOM 0 H GLU A 64 10.102 -7.185 2.363 1.00 10.04 H new ATOM 0 HA GLU A 64 9.169 -8.448 3.760 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.635 -8.506 5.505 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.221 -9.522 5.710 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.595 -10.445 3.395 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.056 -9.485 3.275 1.00 24.16 H new ATOM 1035 N SER A 65 8.916 -5.793 5.061 1.00 6.85 N ATOM 1036 CA SER A 65 8.149 -4.827 5.820 1.00 6.90 C ATOM 1037 C SER A 65 6.622 -4.904 5.601 1.00 4.72 C ATOM 1038 O SER A 65 6.135 -5.432 4.604 1.00 3.91 O ATOM 1039 CB SER A 65 8.536 -3.426 5.417 1.00 7.28 C ATOM 1040 OG SER A 65 9.897 -3.154 5.576 1.00 10.56 O ATOM 0 H SER A 65 9.176 -5.422 4.147 1.00 6.85 H new ATOM 0 HA SER A 65 8.375 -5.063 6.860 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.262 -3.268 4.374 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.960 -2.715 6.009 1.00 7.28 H new ATOM 0 HG SER A 65 10.394 -3.513 4.811 1.00 10.56 H new ATOM 1046 N THR A 66 5.838 -4.479 6.601 1.00 4.48 N ATOM 1047 CA THR A 66 4.379 -4.664 6.607 1.00 3.80 C ATOM 1048 C THR A 66 3.727 -3.323 6.445 1.00 4.60 C ATOM 1049 O THR A 66 4.075 -2.355 7.151 1.00 5.33 O ATOM 1050 CB THR A 66 3.872 -5.341 7.878 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.496 -6.629 7.952 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.382 -5.542 7.956 1.00 3.40 C ATOM 0 H THR A 66 6.195 -3.998 7.427 1.00 4.48 H new ATOM 0 HA THR A 66 4.120 -5.326 5.780 1.00 3.80 H new ATOM 0 HB THR A 66 4.123 -4.675 8.703 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.193 -7.093 8.760 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.129 -6.030 8.897 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.881 -4.575 7.903 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.055 -6.166 7.125 1.00 3.40 H new ATOM 1060 N LEU A 67 2.741 -3.218 5.514 1.00 4.17 N ATOM 1061 CA LEU A 67 1.983 -2.030 5.219 1.00 3.85 C ATOM 1062 C LEU A 67 0.532 -2.439 5.552 1.00 3.80 C ATOM 1063 O LEU A 67 0.112 -3.538 5.235 1.00 5.54 O ATOM 1064 CB LEU A 67 1.860 -1.686 3.672 1.00 7.18 C ATOM 1065 CG LEU A 67 3.179 -1.159 3.077 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.237 -2.139 2.936 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.973 -0.509 1.768 1.00 11.66 C ATOM 0 H LEU A 67 2.461 -4.011 4.937 1.00 4.17 H new ATOM 0 HA LEU A 67 2.450 -1.198 5.745 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.551 -2.579 3.128 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.078 -0.940 3.530 1.00 7.18 H new ATOM 0 HG LEU A 67 3.511 -0.437 3.823 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.119 -1.663 2.508 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.485 -2.550 3.915 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.904 -2.942 2.279 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.929 -0.152 1.385 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.547 -1.228 1.068 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.291 0.333 1.883 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.180 -1.523 6.167 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.565 -1.774 6.529 1.00 4.17 C ATOM 1081 C HIS A 68 -2.506 -1.120 5.556 1.00 5.32 C ATOM 1082 O HIS A 68 -2.309 0.016 5.120 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.821 -1.344 7.970 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.943 -2.097 8.835 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.258 -3.255 9.430 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.334 -1.758 9.246 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.184 -3.700 10.112 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.807 -2.827 10.010 1.00 16.30 N ATOM 0 H HIS A 68 0.170 -0.601 6.428 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.757 -2.845 6.471 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.640 -0.275 8.084 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.862 -1.522 8.239 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.863 -0.844 9.020 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.138 -4.630 10.660 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.739 -2.918 10.413 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.614 -1.757 5.194 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.494 -1.282 4.139 1.00 3.97 C ATOM 1098 C LEU A 69 -5.793 -1.015 4.862 1.00 5.07 C ATOM 1099 O LEU A 69 -6.249 -1.890 5.604 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.622 -2.426 3.124 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.838 -2.331 2.212 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.035 -1.049 1.466 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.819 -3.516 1.207 1.00 9.96 C ATOM 0 H LEU A 69 -3.927 -2.625 5.630 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.159 -0.395 3.601 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.723 -2.450 2.508 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.663 -3.371 3.665 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.687 -2.371 2.895 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.936 -1.118 0.856 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.139 -0.228 2.175 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.174 -0.866 0.823 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.688 -3.452 0.552 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.909 -3.471 0.608 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.846 -4.458 1.755 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.298 0.220 4.844 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.604 0.723 5.298 1.00 6.26 C ATOM 1117 C VAL A 70 -8.485 1.086 4.049 1.00 9.22 C ATOM 1118 O VAL A 70 -7.906 1.613 3.102 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.511 1.928 6.224 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.837 2.012 7.013 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.311 1.726 7.106 1.00 8.54 C ATOM 0 H VAL A 70 -5.738 0.984 4.467 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.060 -0.077 5.881 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.380 2.872 5.694 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.805 2.867 7.688 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.668 2.130 6.317 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.975 1.098 7.591 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.212 2.573 7.785 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.434 0.810 7.684 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.415 1.649 6.490 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.789 0.757 4.123 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.727 1.333 3.182 1.00 16.06 C ATOM 1133 C LEU A 71 -10.972 2.833 3.438 1.00 18.09 C ATOM 1134 O LEU A 71 -11.091 3.284 4.586 1.00 19.26 O ATOM 1135 CB LEU A 71 -12.064 0.586 3.353 1.00 17.10 C ATOM 1136 CG LEU A 71 -13.041 0.667 2.166 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.542 0.281 0.801 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.281 -0.108 2.483 1.00 19.57 C ATOM 0 H LEU A 71 -10.193 0.116 4.806 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.316 1.235 2.177 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.848 -0.464 3.548 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.566 0.978 4.238 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.219 1.738 2.069 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.347 0.392 0.075 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.710 0.927 0.522 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.207 -0.756 0.816 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.972 -0.050 1.642 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -14.021 -1.150 2.668 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.755 0.311 3.371 1.00 19.57 H new