USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 489 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ -155:sc= -0.0329 (180deg=-0.297) USER MOD Single : A 4 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-3.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.359 K(o=-0.36,f=-3.2!) USER MOD Single : A 25 THR OG1 : rot 34:sc= 0.878 USER MOD Single : A 27 SER OG : rot 180:sc=-0.00701 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.645 X(o=-0.64,f=-0.6) USER MOD Single : A 40 LYS NZ :NH3+ 141:sc= -0.855 (180deg=-3.94!) USER MOD Single : A 42 THR OG1 : rot 89:sc= 0.305 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 147:sc= 0.222 (180deg=-1.34) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.122 -20.138 11.699 1.00 99.99 N ATOM 2 CA ARG A 1 0.307 -20.726 10.655 1.00 0.00 C ATOM 3 C ARG A 1 0.930 -20.456 9.290 1.00 0.00 C ATOM 4 O ARG A 1 1.103 -21.369 8.483 1.00 0.00 O ATOM 5 CB ARG A 1 -1.209 -20.528 10.593 1.00 0.00 C ATOM 6 CG ARG A 1 -1.916 -20.832 11.904 1.00 0.00 C ATOM 7 CD ARG A 1 -2.834 -22.038 11.779 1.00 0.00 C ATOM 8 NE ARG A 1 -3.250 -22.547 13.084 1.00 0.00 N ATOM 9 CZ ARG A 1 -4.203 -23.459 13.255 1.00 0.00 C ATOM 10 NH1 ARG A 1 -4.844 -23.964 12.208 1.00 0.00 N ATOM 11 NH2 ARG A 1 -4.518 -23.868 14.477 1.00 0.00 N ATOM 0 H1 ARG A 1 0.965 -20.649 12.591 1.00 99.99 H new ATOM 0 H2 ARG A 1 2.126 -20.204 11.435 1.00 99.99 H new ATOM 0 H3 ARG A 1 0.861 -19.139 11.821 1.00 99.99 H new ATOM 0 HA ARG A 1 0.336 -21.769 10.970 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -1.421 -19.498 10.306 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -1.619 -21.168 9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -1.176 -21.017 12.683 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -2.496 -19.963 12.215 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -3.715 -21.764 11.199 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -2.323 -22.827 11.228 1.00 0.00 H new ATOM 0 HE ARG A 1 -2.782 -22.181 13.913 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -4.607 -23.653 11.266 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -5.574 -24.663 12.345 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -4.029 -23.483 15.285 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -5.249 -24.567 14.608 1.00 0.00 H new ATOM 27 N ARG A 2 1.266 -19.195 9.037 1.00 0.00 N ATOM 28 CA ARG A 2 1.870 -18.804 7.768 1.00 0.00 C ATOM 29 C ARG A 2 3.390 -18.760 7.880 1.00 0.00 C ATOM 30 O ARG A 2 3.936 -18.478 8.946 1.00 0.00 O ATOM 31 CB ARG A 2 1.340 -17.439 7.325 1.00 0.00 C ATOM 32 CG ARG A 2 -0.175 -17.382 7.214 1.00 0.00 C ATOM 33 CD ARG A 2 -0.619 -16.464 6.086 1.00 0.00 C ATOM 34 NE ARG A 2 -1.684 -17.059 5.282 1.00 0.00 N ATOM 35 CZ ARG A 2 -2.916 -17.282 5.731 1.00 0.00 C ATOM 36 NH1 ARG A 2 -3.245 -16.958 6.976 1.00 0.00 N ATOM 37 NH2 ARG A 2 -3.824 -17.828 4.934 1.00 0.00 N ATOM 0 H ARG A 2 1.130 -18.427 9.694 1.00 0.00 H new ATOM 0 HA ARG A 2 1.600 -19.550 7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.673 -16.681 8.035 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.777 -17.185 6.359 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.566 -18.385 7.043 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.597 -17.032 8.156 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.965 -15.518 6.503 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.234 -16.237 5.447 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.470 -17.319 4.319 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.551 -16.536 7.593 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.191 -17.131 7.315 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -3.578 -18.077 3.976 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.769 -17.999 5.279 1.00 0.00 H new ATOM 51 N ARG A 3 4.069 -19.041 6.772 1.00 0.00 N ATOM 52 CA ARG A 3 5.527 -19.033 6.747 1.00 0.00 C ATOM 53 C ARG A 3 6.054 -17.835 5.964 1.00 0.00 C ATOM 54 O ARG A 3 7.135 -17.892 5.378 1.00 0.00 O ATOM 55 CB ARG A 3 6.054 -20.331 6.131 1.00 0.00 C ATOM 56 CG ARG A 3 7.326 -20.844 6.786 1.00 0.00 C ATOM 57 CD ARG A 3 7.630 -22.273 6.370 1.00 0.00 C ATOM 58 NE ARG A 3 8.698 -22.863 7.176 1.00 0.00 N ATOM 59 CZ ARG A 3 8.924 -24.172 7.262 1.00 0.00 C ATOM 60 NH1 ARG A 3 8.162 -25.029 6.596 1.00 0.00 N ATOM 61 NH2 ARG A 3 9.916 -24.623 8.017 1.00 0.00 N ATOM 0 H ARG A 3 3.633 -19.277 5.881 1.00 0.00 H new ATOM 0 HA ARG A 3 5.881 -18.955 7.775 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.283 -21.098 6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.242 -20.169 5.070 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.162 -20.199 6.514 1.00 0.00 H new ATOM 0 HG3 ARG A 3 7.224 -20.794 7.870 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.728 -22.878 6.465 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.917 -22.291 5.319 1.00 0.00 H new ATOM 0 HE ARG A 3 9.305 -22.235 7.703 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.398 -24.686 6.014 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.340 -26.031 6.666 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.505 -23.967 8.531 1.00 0.00 H new ATOM 0 HH22 ARG A 3 10.091 -25.626 8.084 1.00 0.00 H new ATOM 75 N HIS A 4 5.284 -16.750 5.959 1.00 0.00 N ATOM 76 CA HIS A 4 5.672 -15.535 5.249 1.00 0.00 C ATOM 77 C HIS A 4 5.760 -15.783 3.746 1.00 0.00 C ATOM 78 O HIS A 4 4.850 -15.427 2.997 1.00 0.00 O ATOM 79 CB HIS A 4 7.013 -15.015 5.775 1.00 0.00 C ATOM 80 CG HIS A 4 6.875 -14.023 6.888 1.00 0.00 C ATOM 81 ND1 HIS A 4 5.846 -13.108 6.957 1.00 0.00 N ATOM 82 CD2 HIS A 4 7.645 -13.803 7.979 1.00 0.00 C ATOM 83 CE1 HIS A 4 5.989 -12.369 8.044 1.00 0.00 C ATOM 84 NE2 HIS A 4 7.072 -12.772 8.682 1.00 0.00 N ATOM 0 H HIS A 4 4.386 -16.688 6.439 1.00 0.00 H new ATOM 0 HA HIS A 4 4.905 -14.782 5.427 1.00 0.00 H new ATOM 0 HB2 HIS A 4 7.609 -15.859 6.123 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.562 -14.554 4.954 1.00 0.00 H new ATOM 0 HD2 HIS A 4 8.544 -14.339 8.247 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.332 -11.571 8.357 1.00 0.00 H new ATOM 0 HE2 HIS A 4 7.426 -12.381 9.555 1.00 0.00 H new ATOM 93 N ILE A 5 6.861 -16.391 3.311 1.00 0.00 N ATOM 94 CA ILE A 5 7.075 -16.689 1.897 1.00 0.00 C ATOM 95 C ILE A 5 7.406 -15.425 1.112 1.00 0.00 C ATOM 96 O ILE A 5 8.484 -15.308 0.531 1.00 0.00 O ATOM 97 CB ILE A 5 5.844 -17.367 1.259 1.00 0.00 C ATOM 98 CG1 ILE A 5 5.354 -18.524 2.132 1.00 0.00 C ATOM 99 CG2 ILE A 5 6.180 -17.860 -0.141 1.00 0.00 C ATOM 100 CD1 ILE A 5 3.847 -18.603 2.237 1.00 0.00 C ATOM 0 H ILE A 5 7.622 -16.688 3.921 1.00 0.00 H new ATOM 0 HA ILE A 5 7.918 -17.378 1.851 1.00 0.00 H new ATOM 0 HB ILE A 5 5.043 -16.632 1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.732 -19.462 1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.775 -18.418 3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.303 -18.336 -0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.483 -17.016 -0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.995 -18.581 -0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.570 -19.446 2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.464 -17.680 2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.420 -18.740 1.244 1.00 0.00 H new ATOM 112 N VAL A 6 6.471 -14.482 1.100 1.00 0.00 N ATOM 113 CA VAL A 6 6.662 -13.226 0.386 1.00 0.00 C ATOM 114 C VAL A 6 7.358 -12.193 1.267 1.00 0.00 C ATOM 115 O VAL A 6 8.271 -11.497 0.823 1.00 0.00 O ATOM 116 CB VAL A 6 5.316 -12.652 -0.098 1.00 0.00 C ATOM 117 CG1 VAL A 6 5.532 -11.392 -0.921 1.00 0.00 C ATOM 118 CG2 VAL A 6 4.549 -13.694 -0.897 1.00 0.00 C ATOM 0 H VAL A 6 5.573 -14.564 1.577 1.00 0.00 H new ATOM 0 HA VAL A 6 7.291 -13.441 -0.478 1.00 0.00 H new ATOM 0 HB VAL A 6 4.722 -12.386 0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.569 -11.004 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.035 -10.641 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.147 -11.626 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.601 -13.271 -1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.138 -13.994 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.357 -14.565 -0.270 1.00 0.00 H new ATOM 128 N ARG A 7 6.917 -12.095 2.516 1.00 0.00 N ATOM 129 CA ARG A 7 7.494 -11.146 3.461 1.00 0.00 C ATOM 130 C ARG A 7 8.968 -11.447 3.710 1.00 0.00 C ATOM 131 O ARG A 7 9.790 -10.537 3.815 1.00 0.00 O ATOM 132 CB ARG A 7 6.722 -11.176 4.782 1.00 0.00 C ATOM 133 CG ARG A 7 5.710 -10.049 4.921 1.00 0.00 C ATOM 134 CD ARG A 7 4.292 -10.541 4.685 1.00 0.00 C ATOM 135 NE ARG A 7 3.324 -9.447 4.697 1.00 0.00 N ATOM 136 CZ ARG A 7 2.013 -9.616 4.542 1.00 0.00 C ATOM 137 NH1 ARG A 7 1.509 -10.831 4.363 1.00 0.00 N ATOM 138 NH2 ARG A 7 1.202 -8.566 4.565 1.00 0.00 N ATOM 0 H ARG A 7 6.160 -12.662 2.898 1.00 0.00 H new ATOM 0 HA ARG A 7 7.418 -10.149 3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.204 -12.131 4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 7 7.430 -11.121 5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.784 -9.613 5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.945 -9.258 4.209 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.243 -11.058 3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.028 -11.267 5.453 1.00 0.00 H new ATOM 0 HE ARG A 7 3.673 -8.498 4.832 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.127 -11.642 4.344 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.503 -10.954 4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.583 -7.630 4.701 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.197 -8.695 4.446 1.00 0.00 H new ATOM 152 N LYS A 8 9.298 -12.731 3.809 1.00 0.00 N ATOM 153 CA LYS A 8 10.676 -13.148 4.050 1.00 0.00 C ATOM 154 C LYS A 8 11.610 -12.606 2.972 1.00 0.00 C ATOM 155 O LYS A 8 12.737 -12.204 3.260 1.00 0.00 O ATOM 156 CB LYS A 8 10.771 -14.675 4.107 1.00 0.00 C ATOM 157 CG LYS A 8 10.151 -15.371 2.906 1.00 0.00 C ATOM 158 CD LYS A 8 11.204 -15.751 1.877 1.00 0.00 C ATOM 159 CE LYS A 8 12.207 -16.744 2.444 1.00 0.00 C ATOM 160 NZ LYS A 8 12.075 -18.087 1.813 1.00 0.00 N ATOM 0 H LYS A 8 8.632 -13.499 3.726 1.00 0.00 H new ATOM 0 HA LYS A 8 10.987 -12.737 5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.820 -14.962 4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.279 -15.027 5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.623 -16.266 3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.411 -14.716 2.446 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.719 -16.182 1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.727 -14.855 1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.218 -16.368 2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.062 -16.833 3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.776 -18.735 2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.118 -18.458 1.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.239 -18.007 0.789 1.00 0.00 H new ATOM 174 N ARG A 9 11.136 -12.601 1.729 1.00 0.00 N ATOM 175 CA ARG A 9 11.934 -12.110 0.610 1.00 0.00 C ATOM 176 C ARG A 9 11.752 -10.606 0.415 1.00 0.00 C ATOM 177 O ARG A 9 12.583 -9.951 -0.214 1.00 0.00 O ATOM 178 CB ARG A 9 11.552 -12.849 -0.673 1.00 0.00 C ATOM 179 CG ARG A 9 10.121 -12.595 -1.119 1.00 0.00 C ATOM 180 CD ARG A 9 9.982 -12.672 -2.632 1.00 0.00 C ATOM 181 NE ARG A 9 10.480 -11.465 -3.290 1.00 0.00 N ATOM 182 CZ ARG A 9 11.700 -11.347 -3.814 1.00 0.00 C ATOM 183 NH1 ARG A 9 12.561 -12.356 -3.760 1.00 0.00 N ATOM 184 NH2 ARG A 9 12.062 -10.211 -4.395 1.00 0.00 N ATOM 0 H ARG A 9 10.206 -12.931 1.472 1.00 0.00 H new ATOM 0 HA ARG A 9 12.983 -12.299 0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.231 -12.549 -1.471 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.692 -13.919 -0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.460 -13.327 -0.655 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.801 -11.612 -0.774 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.529 -13.539 -3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.934 -12.821 -2.893 1.00 0.00 H new ATOM 0 HE ARG A 9 9.854 -10.662 -3.352 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.292 -13.233 -3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.492 -12.254 -4.164 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.407 -9.430 -4.440 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.995 -10.118 -4.797 1.00 0.00 H new ATOM 198 N THR A 10 10.665 -10.062 0.954 1.00 0.00 N ATOM 199 CA THR A 10 10.386 -8.637 0.832 1.00 0.00 C ATOM 200 C THR A 10 11.317 -7.824 1.727 1.00 0.00 C ATOM 201 O THR A 10 11.928 -6.854 1.283 1.00 0.00 O ATOM 202 CB THR A 10 8.918 -8.350 1.178 1.00 0.00 C ATOM 203 OG1 THR A 10 8.360 -7.425 0.263 1.00 0.00 O ATOM 204 CG2 THR A 10 8.709 -7.792 2.573 1.00 0.00 C ATOM 0 H THR A 10 9.965 -10.586 1.478 1.00 0.00 H new ATOM 0 HA THR A 10 10.564 -8.339 -0.201 1.00 0.00 H new ATOM 0 HB THR A 10 8.425 -9.320 1.122 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.424 -7.256 0.499 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.646 -7.617 2.739 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.079 -8.506 3.309 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.252 -6.852 2.674 1.00 0.00 H new ATOM 212 N LEU A 11 11.418 -8.229 2.992 1.00 0.00 N ATOM 213 CA LEU A 11 12.272 -7.539 3.951 1.00 0.00 C ATOM 214 C LEU A 11 13.651 -7.292 3.354 1.00 0.00 C ATOM 215 O LEU A 11 14.329 -6.325 3.703 1.00 0.00 O ATOM 216 CB LEU A 11 12.399 -8.357 5.238 1.00 0.00 C ATOM 217 CG LEU A 11 12.728 -9.836 5.033 1.00 0.00 C ATOM 218 CD1 LEU A 11 14.234 -10.046 4.996 1.00 0.00 C ATOM 219 CD2 LEU A 11 12.098 -10.679 6.131 1.00 0.00 C ATOM 0 H LEU A 11 10.918 -9.032 3.374 1.00 0.00 H new ATOM 0 HA LEU A 11 11.815 -6.578 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.175 -7.910 5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.464 -8.282 5.793 1.00 0.00 H new ATOM 0 HG LEU A 11 12.313 -10.152 4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.450 -11.104 4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.661 -9.471 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.671 -9.713 5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.342 -11.729 5.969 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.484 -10.362 7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.016 -10.551 6.112 1.00 0.00 H new ATOM 231 N ARG A 12 14.056 -8.176 2.449 1.00 0.00 N ATOM 232 CA ARG A 12 15.349 -8.059 1.798 1.00 0.00 C ATOM 233 C ARG A 12 15.482 -6.713 1.091 1.00 0.00 C ATOM 234 O ARG A 12 16.588 -6.204 0.909 1.00 0.00 O ATOM 235 CB ARG A 12 15.546 -9.203 0.800 1.00 0.00 C ATOM 236 CG ARG A 12 16.838 -9.977 1.010 1.00 0.00 C ATOM 237 CD ARG A 12 16.939 -10.525 2.425 1.00 0.00 C ATOM 238 NE ARG A 12 17.979 -9.853 3.199 1.00 0.00 N ATOM 239 CZ ARG A 12 19.279 -10.111 3.076 1.00 0.00 C ATOM 240 NH1 ARG A 12 19.702 -11.029 2.214 1.00 0.00 N ATOM 241 NH2 ARG A 12 20.160 -9.452 3.817 1.00 0.00 N ATOM 0 H ARG A 12 13.505 -8.981 2.152 1.00 0.00 H new ATOM 0 HA ARG A 12 16.123 -8.121 2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.704 -9.890 0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 12 15.535 -8.798 -0.212 1.00 0.00 H new ATOM 0 HG2 ARG A 12 16.890 -10.799 0.296 1.00 0.00 H new ATOM 0 HG3 ARG A 12 17.689 -9.326 0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.979 -10.408 2.929 1.00 0.00 H new ATOM 0 HD3 ARG A 12 17.150 -11.594 2.386 1.00 0.00 H new ATOM 0 HE ARG A 12 17.692 -9.144 3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 12 19.029 -11.540 1.642 1.00 0.00 H new ATOM 0 HH12 ARG A 12 20.699 -11.223 2.124 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.841 -8.747 4.482 1.00 0.00 H new ATOM 0 HH22 ARG A 12 21.156 -9.650 3.722 1.00 0.00 H new ATOM 255 N ARG A 13 14.346 -6.134 0.713 1.00 0.00 N ATOM 256 CA ARG A 13 14.339 -4.839 0.048 1.00 0.00 C ATOM 257 C ARG A 13 14.489 -3.731 1.086 1.00 0.00 C ATOM 258 O ARG A 13 15.292 -2.813 0.925 1.00 0.00 O ATOM 259 CB ARG A 13 13.046 -4.663 -0.764 1.00 0.00 C ATOM 260 CG ARG A 13 11.888 -4.058 0.019 1.00 0.00 C ATOM 261 CD ARG A 13 10.644 -3.920 -0.846 1.00 0.00 C ATOM 262 NE ARG A 13 9.458 -3.610 -0.052 1.00 0.00 N ATOM 263 CZ ARG A 13 8.235 -3.486 -0.564 1.00 0.00 C ATOM 264 NH1 ARG A 13 8.034 -3.646 -1.866 1.00 0.00 N ATOM 265 NH2 ARG A 13 7.211 -3.202 0.228 1.00 0.00 N ATOM 0 H ARG A 13 13.422 -6.541 0.856 1.00 0.00 H new ATOM 0 HA ARG A 13 15.179 -4.783 -0.645 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.256 -4.029 -1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.739 -5.635 -1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.665 -4.684 0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.177 -3.079 0.401 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.801 -3.134 -1.585 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.480 -4.847 -1.396 1.00 0.00 H new ATOM 0 HE ARG A 13 9.573 -3.481 0.953 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.818 -3.865 -2.480 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.095 -3.550 -2.253 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.360 -3.078 1.229 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.274 -3.107 -0.164 1.00 0.00 H new ATOM 279 N LEU A 14 13.713 -3.843 2.159 1.00 0.00 N ATOM 280 CA LEU A 14 13.756 -2.870 3.243 1.00 0.00 C ATOM 281 C LEU A 14 15.175 -2.755 3.792 1.00 0.00 C ATOM 282 O LEU A 14 15.661 -1.657 4.063 1.00 0.00 O ATOM 283 CB LEU A 14 12.793 -3.275 4.361 1.00 0.00 C ATOM 284 CG LEU A 14 11.313 -3.032 4.059 1.00 0.00 C ATOM 285 CD1 LEU A 14 10.457 -4.136 4.660 1.00 0.00 C ATOM 286 CD2 LEU A 14 10.879 -1.673 4.586 1.00 0.00 C ATOM 0 H LEU A 14 13.045 -4.601 2.301 1.00 0.00 H new ATOM 0 HA LEU A 14 13.449 -1.900 2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.935 -4.334 4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.059 -2.727 5.265 1.00 0.00 H new ATOM 0 HG LEU A 14 11.176 -3.042 2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.408 -3.946 4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.751 -5.096 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.598 -4.158 5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.824 -1.516 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.031 -1.636 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.471 -0.892 4.109 1.00 0.00 H new ATOM 298 N LEU A 15 15.830 -3.901 3.949 1.00 0.00 N ATOM 299 CA LEU A 15 17.196 -3.942 4.458 1.00 0.00 C ATOM 300 C LEU A 15 18.197 -3.527 3.382 1.00 0.00 C ATOM 301 O LEU A 15 19.316 -3.115 3.687 1.00 0.00 O ATOM 302 CB LEU A 15 17.528 -5.347 4.963 1.00 0.00 C ATOM 303 CG LEU A 15 16.449 -5.992 5.837 1.00 0.00 C ATOM 304 CD1 LEU A 15 16.353 -7.483 5.555 1.00 0.00 C ATOM 305 CD2 LEU A 15 16.740 -5.744 7.309 1.00 0.00 C ATOM 0 H LEU A 15 15.435 -4.816 3.730 1.00 0.00 H new ATOM 0 HA LEU A 15 17.269 -3.235 5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.712 -5.992 4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.457 -5.302 5.532 1.00 0.00 H new ATOM 0 HG LEU A 15 15.490 -5.536 5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.581 -7.924 6.186 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.098 -7.639 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.311 -7.956 5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.964 -6.209 7.917 1.00 0.00 H new ATOM 0 HD22 LEU A 15 17.708 -6.174 7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 15 16.757 -4.671 7.501 1.00 0.00 H new ATOM 317 N GLN A 16 17.786 -3.637 2.121 1.00 0.00 N ATOM 318 CA GLN A 16 18.647 -3.272 1.000 1.00 0.00 C ATOM 319 C GLN A 16 18.465 -1.804 0.623 1.00 0.00 C ATOM 320 O GLN A 16 19.347 -1.196 0.016 1.00 0.00 O ATOM 321 CB GLN A 16 18.347 -4.161 -0.209 1.00 0.00 C ATOM 322 CG GLN A 16 19.129 -5.464 -0.213 1.00 0.00 C ATOM 323 CD GLN A 16 20.588 -5.267 -0.573 1.00 0.00 C ATOM 324 OE1 GLN A 16 21.130 -4.169 -0.442 1.00 0.00 O ATOM 325 NE2 GLN A 16 21.234 -6.333 -1.031 1.00 0.00 N ATOM 0 H GLN A 16 16.863 -3.976 1.850 1.00 0.00 H new ATOM 0 HA GLN A 16 19.682 -3.421 1.308 1.00 0.00 H new ATOM 0 HB2 GLN A 16 17.281 -4.386 -0.228 1.00 0.00 H new ATOM 0 HB3 GLN A 16 18.573 -3.608 -1.121 1.00 0.00 H new ATOM 0 HG2 GLN A 16 19.061 -5.927 0.771 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.674 -6.155 -0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 16 20.746 -7.224 -1.124 1.00 0.00 H new ATOM 0 HE22 GLN A 16 22.218 -6.261 -1.290 1.00 0.00 H new ATOM 334 N GLU A 17 17.317 -1.238 0.982 1.00 0.00 N ATOM 335 CA GLU A 17 17.021 0.157 0.679 1.00 0.00 C ATOM 336 C GLU A 17 17.542 1.088 1.775 1.00 0.00 C ATOM 337 O GLU A 17 17.532 2.309 1.618 1.00 0.00 O ATOM 338 CB GLU A 17 15.513 0.348 0.500 1.00 0.00 C ATOM 339 CG GLU A 17 15.137 1.029 -0.805 1.00 0.00 C ATOM 340 CD GLU A 17 13.792 0.572 -1.335 1.00 0.00 C ATOM 341 OE1 GLU A 17 13.760 -0.415 -2.099 1.00 0.00 O ATOM 342 OE2 GLU A 17 12.772 1.201 -0.985 1.00 0.00 O ATOM 0 H GLU A 17 16.575 -1.726 1.484 1.00 0.00 H new ATOM 0 HA GLU A 17 17.529 0.414 -0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 17 15.024 -0.625 0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 17 15.129 0.938 1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.116 2.108 -0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.905 0.826 -1.551 1.00 0.00 H new ATOM 349 N ARG A 18 17.996 0.506 2.884 1.00 0.00 N ATOM 350 CA ARG A 18 18.516 1.287 4.004 1.00 0.00 C ATOM 351 C ARG A 18 19.514 2.343 3.531 1.00 0.00 C ATOM 352 O ARG A 18 19.671 3.389 4.162 1.00 0.00 O ATOM 353 CB ARG A 18 19.182 0.364 5.028 1.00 0.00 C ATOM 354 CG ARG A 18 20.445 -0.308 4.513 1.00 0.00 C ATOM 355 CD ARG A 18 21.213 -0.986 5.637 1.00 0.00 C ATOM 356 NE ARG A 18 21.924 -0.021 6.473 1.00 0.00 N ATOM 357 CZ ARG A 18 22.725 -0.362 7.479 1.00 0.00 C ATOM 358 NH1 ARG A 18 22.919 -1.641 7.779 1.00 0.00 N ATOM 359 NH2 ARG A 18 23.333 0.578 8.189 1.00 0.00 N ATOM 0 H ARG A 18 18.014 -0.503 3.030 1.00 0.00 H new ATOM 0 HA ARG A 18 17.675 1.799 4.472 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.426 0.941 5.920 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.470 -0.404 5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.183 -1.045 3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 18 21.082 0.433 4.031 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.522 -1.560 6.254 1.00 0.00 H new ATOM 0 HD3 ARG A 18 21.926 -1.694 5.214 1.00 0.00 H new ATOM 0 HE ARG A 18 21.799 0.971 6.274 1.00 0.00 H new ATOM 0 HH11 ARG A 18 22.453 -2.368 7.237 1.00 0.00 H new ATOM 0 HH12 ARG A 18 23.534 -1.896 8.551 1.00 0.00 H new ATOM 0 HH21 ARG A 18 23.187 1.562 7.964 1.00 0.00 H new ATOM 0 HH22 ARG A 18 23.947 0.317 8.960 1.00 0.00 H new ATOM 373 N GLU A 19 20.185 2.065 2.418 1.00 0.00 N ATOM 374 CA GLU A 19 21.165 2.992 1.864 1.00 0.00 C ATOM 375 C GLU A 19 20.480 4.103 1.073 1.00 0.00 C ATOM 376 O GLU A 19 20.816 5.279 1.218 1.00 0.00 O ATOM 377 CB GLU A 19 22.157 2.246 0.969 1.00 0.00 C ATOM 378 CG GLU A 19 23.488 1.958 1.643 1.00 0.00 C ATOM 379 CD GLU A 19 24.587 2.900 1.191 1.00 0.00 C ATOM 380 OE1 GLU A 19 24.259 3.979 0.653 1.00 0.00 O ATOM 381 OE2 GLU A 19 25.774 2.559 1.373 1.00 0.00 O ATOM 0 H GLU A 19 20.068 1.205 1.882 1.00 0.00 H new ATOM 0 HA GLU A 19 21.707 3.445 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 19 21.709 1.304 0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 19 22.335 2.835 0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 19 23.368 2.037 2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.784 0.931 1.430 1.00 0.00 H new ATOM 388 N LEU A 20 19.519 3.723 0.238 1.00 0.00 N ATOM 389 CA LEU A 20 18.788 4.688 -0.574 1.00 0.00 C ATOM 390 C LEU A 20 17.300 4.357 -0.603 1.00 0.00 C ATOM 391 O LEU A 20 16.862 3.481 -1.350 1.00 0.00 O ATOM 392 CB LEU A 20 19.345 4.715 -1.998 1.00 0.00 C ATOM 393 CG LEU A 20 20.869 4.622 -2.099 1.00 0.00 C ATOM 394 CD1 LEU A 20 21.299 3.195 -2.407 1.00 0.00 C ATOM 395 CD2 LEU A 20 21.394 5.579 -3.161 1.00 0.00 C ATOM 0 H LEU A 20 19.228 2.754 0.106 1.00 0.00 H new ATOM 0 HA LEU A 20 18.914 5.673 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.908 3.889 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.020 5.636 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 20 21.294 4.909 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.386 3.149 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 20 20.957 2.532 -1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 20 20.863 2.880 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 20 22.480 5.499 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 20 20.960 5.324 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 20 21.119 6.600 -2.898 1.00 0.00 H new ATOM 407 N VAL A 21 16.527 5.062 0.215 1.00 0.00 N ATOM 408 CA VAL A 21 15.086 4.843 0.282 1.00 0.00 C ATOM 409 C VAL A 21 14.331 6.146 0.541 1.00 0.00 C ATOM 410 O VAL A 21 13.381 6.471 -0.171 1.00 0.00 O ATOM 411 CB VAL A 21 14.723 3.815 1.374 1.00 0.00 C ATOM 412 CG1 VAL A 21 15.147 4.308 2.749 1.00 0.00 C ATOM 413 CG2 VAL A 21 13.233 3.507 1.346 1.00 0.00 C ATOM 0 H VAL A 21 16.873 5.789 0.841 1.00 0.00 H new ATOM 0 HA VAL A 21 14.784 4.450 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 21 15.267 2.894 1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.880 3.565 3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.225 4.466 2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.640 5.247 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.997 2.780 2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.669 4.423 1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.964 3.097 0.372 1.00 0.00 H new ATOM 423 N GLU A 22 14.755 6.892 1.558 1.00 0.00 N ATOM 424 CA GLU A 22 14.109 8.154 1.896 1.00 0.00 C ATOM 425 C GLU A 22 14.903 9.343 1.355 1.00 0.00 C ATOM 426 O GLU A 22 14.362 10.177 0.628 1.00 0.00 O ATOM 427 CB GLU A 22 13.940 8.277 3.414 1.00 0.00 C ATOM 428 CG GLU A 22 12.513 8.053 3.887 1.00 0.00 C ATOM 429 CD GLU A 22 12.439 7.653 5.348 1.00 0.00 C ATOM 430 OE1 GLU A 22 13.134 8.285 6.172 1.00 0.00 O ATOM 431 OE2 GLU A 22 11.686 6.709 5.668 1.00 0.00 O ATOM 0 H GLU A 22 15.541 6.644 2.160 1.00 0.00 H new ATOM 0 HA GLU A 22 13.124 8.163 1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.594 7.555 3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.267 9.268 3.729 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.936 8.965 3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.050 7.277 3.278 1.00 0.00 H new ATOM 438 N PRO A 23 16.201 9.445 1.701 1.00 0.00 N ATOM 439 CA PRO A 23 17.050 10.546 1.238 1.00 0.00 C ATOM 440 C PRO A 23 17.079 10.659 -0.283 1.00 0.00 C ATOM 441 O PRO A 23 17.322 11.735 -0.830 1.00 0.00 O ATOM 442 CB PRO A 23 18.440 10.185 1.773 1.00 0.00 C ATOM 443 CG PRO A 23 18.180 9.276 2.922 1.00 0.00 C ATOM 444 CD PRO A 23 16.941 8.506 2.565 1.00 0.00 C ATOM 0 HA PRO A 23 16.684 11.511 1.589 1.00 0.00 H new ATOM 0 HB2 PRO A 23 19.043 9.694 1.009 1.00 0.00 H new ATOM 0 HB3 PRO A 23 18.986 11.074 2.088 1.00 0.00 H new ATOM 0 HG2 PRO A 23 19.023 8.605 3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 23 18.037 9.841 3.843 1.00 0.00 H new ATOM 0 HD2 PRO A 23 17.179 7.579 2.043 1.00 0.00 H new ATOM 0 HD3 PRO A 23 16.366 8.234 3.450 1.00 0.00 H new ATOM 452 N LEU A 24 16.831 9.543 -0.960 1.00 0.00 N ATOM 453 CA LEU A 24 16.831 9.520 -2.419 1.00 0.00 C ATOM 454 C LEU A 24 15.408 9.569 -2.966 1.00 0.00 C ATOM 455 O LEU A 24 15.004 10.555 -3.583 1.00 0.00 O ATOM 456 CB LEU A 24 17.544 8.267 -2.930 1.00 0.00 C ATOM 457 CG LEU A 24 17.730 8.200 -4.447 1.00 0.00 C ATOM 458 CD1 LEU A 24 19.091 7.617 -4.796 1.00 0.00 C ATOM 459 CD2 LEU A 24 16.618 7.378 -5.083 1.00 0.00 C ATOM 0 H LEU A 24 16.628 8.644 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 24 17.365 10.403 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 24 18.524 8.207 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.980 7.391 -2.609 1.00 0.00 H new ATOM 0 HG LEU A 24 17.681 9.214 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.203 7.578 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 24 19.875 8.245 -4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 24 19.171 6.610 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 24 16.765 7.340 -6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 24 16.637 6.366 -4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 24 15.655 7.838 -4.864 1.00 0.00 H new ATOM 471 N THR A 25 14.652 8.497 -2.738 1.00 0.00 N ATOM 472 CA THR A 25 13.270 8.413 -3.209 1.00 0.00 C ATOM 473 C THR A 25 13.164 8.791 -4.686 1.00 0.00 C ATOM 474 O THR A 25 13.064 9.970 -5.028 1.00 0.00 O ATOM 475 CB THR A 25 12.369 9.324 -2.373 1.00 0.00 C ATOM 476 OG1 THR A 25 12.915 10.628 -2.283 1.00 0.00 O ATOM 477 CG2 THR A 25 12.151 8.819 -0.963 1.00 0.00 C ATOM 0 H THR A 25 14.973 7.673 -2.229 1.00 0.00 H new ATOM 0 HA THR A 25 12.941 7.380 -3.097 1.00 0.00 H new ATOM 0 HB THR A 25 11.410 9.334 -2.891 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.375 10.848 -3.120 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.504 9.511 -0.425 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.682 7.836 -0.997 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.110 8.746 -0.450 1.00 0.00 H new ATOM 485 N PRO A 26 13.188 7.792 -5.589 1.00 0.00 N ATOM 486 CA PRO A 26 13.098 8.025 -7.029 1.00 0.00 C ATOM 487 C PRO A 26 11.657 8.139 -7.520 1.00 0.00 C ATOM 488 O PRO A 26 11.288 7.539 -8.530 1.00 0.00 O ATOM 489 CB PRO A 26 13.761 6.779 -7.605 1.00 0.00 C ATOM 490 CG PRO A 26 13.433 5.697 -6.631 1.00 0.00 C ATOM 491 CD PRO A 26 13.311 6.355 -5.276 1.00 0.00 C ATOM 0 HA PRO A 26 13.564 8.964 -7.327 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.377 6.548 -8.599 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.838 6.912 -7.703 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.503 5.199 -6.905 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.212 4.935 -6.622 1.00 0.00 H new ATOM 0 HD2 PRO A 26 12.441 5.989 -4.731 1.00 0.00 H new ATOM 0 HD3 PRO A 26 14.184 6.155 -4.655 1.00 0.00 H new ATOM 499 N SER A 27 10.844 8.911 -6.802 1.00 0.00 N ATOM 500 CA SER A 27 9.444 9.103 -7.169 1.00 0.00 C ATOM 501 C SER A 27 8.745 7.763 -7.396 1.00 0.00 C ATOM 502 O SER A 27 8.063 7.568 -8.403 1.00 0.00 O ATOM 503 CB SER A 27 9.341 9.965 -8.429 1.00 0.00 C ATOM 504 OG SER A 27 10.505 10.756 -8.603 1.00 0.00 O ATOM 0 H SER A 27 11.132 9.414 -5.962 1.00 0.00 H new ATOM 0 HA SER A 27 8.947 9.613 -6.344 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.199 9.326 -9.300 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.466 10.611 -8.361 1.00 0.00 H new ATOM 0 HG SER A 27 10.415 11.296 -9.416 1.00 0.00 H new ATOM 510 N GLY A 28 8.919 6.843 -6.453 1.00 0.00 N ATOM 511 CA GLY A 28 8.299 5.537 -6.570 1.00 0.00 C ATOM 512 C GLY A 28 7.593 5.113 -5.297 1.00 0.00 C ATOM 513 O GLY A 28 6.375 5.253 -5.179 1.00 0.00 O ATOM 0 H GLY A 28 9.478 6.979 -5.611 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.583 5.551 -7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.060 4.799 -6.823 1.00 0.00 H new ATOM 517 N GLU A 29 8.358 4.591 -4.344 1.00 0.00 N ATOM 518 CA GLU A 29 7.799 4.144 -3.074 1.00 0.00 C ATOM 519 C GLU A 29 7.945 5.223 -2.005 1.00 0.00 C ATOM 520 O GLU A 29 8.230 4.926 -0.843 1.00 0.00 O ATOM 521 CB GLU A 29 8.487 2.857 -2.615 1.00 0.00 C ATOM 522 CG GLU A 29 10.003 2.917 -2.692 1.00 0.00 C ATOM 523 CD GLU A 29 10.560 2.141 -3.869 1.00 0.00 C ATOM 524 OE1 GLU A 29 10.258 0.934 -3.981 1.00 0.00 O ATOM 525 OE2 GLU A 29 11.297 2.740 -4.681 1.00 0.00 O ATOM 0 H GLU A 29 9.367 4.467 -4.427 1.00 0.00 H new ATOM 0 HA GLU A 29 6.737 3.947 -3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.192 2.644 -1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.133 2.027 -3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.318 3.958 -2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.426 2.521 -1.768 1.00 0.00 H new ATOM 532 N ALA A 30 7.746 6.475 -2.402 1.00 0.00 N ATOM 533 CA ALA A 30 7.855 7.597 -1.478 1.00 0.00 C ATOM 534 C ALA A 30 6.530 7.853 -0.768 1.00 0.00 C ATOM 535 O ALA A 30 5.476 7.406 -1.221 1.00 0.00 O ATOM 536 CB ALA A 30 8.311 8.846 -2.218 1.00 0.00 C ATOM 0 H ALA A 30 7.508 6.738 -3.358 1.00 0.00 H new ATOM 0 HA ALA A 30 8.599 7.344 -0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.388 9.677 -1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.284 8.664 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.587 9.093 -2.995 1.00 0.00 H new ATOM 542 N PRO A 31 6.562 8.582 0.361 1.00 0.00 N ATOM 543 CA PRO A 31 5.354 8.894 1.130 1.00 0.00 C ATOM 544 C PRO A 31 4.448 9.882 0.402 1.00 0.00 C ATOM 545 O PRO A 31 3.249 9.645 0.255 1.00 0.00 O ATOM 546 CB PRO A 31 5.899 9.513 2.419 1.00 0.00 C ATOM 547 CG PRO A 31 7.237 10.055 2.052 1.00 0.00 C ATOM 548 CD PRO A 31 7.775 9.154 0.974 1.00 0.00 C ATOM 0 HA PRO A 31 4.737 8.011 1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.242 10.301 2.787 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.979 8.769 3.211 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.156 11.082 1.696 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.902 10.068 2.916 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.368 9.709 0.247 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.420 8.378 1.386 1.00 0.00 H new ATOM 556 N ASN A 32 5.029 10.994 -0.044 1.00 0.00 N ATOM 557 CA ASN A 32 4.280 12.032 -0.753 1.00 0.00 C ATOM 558 C ASN A 32 3.309 11.430 -1.768 1.00 0.00 C ATOM 559 O ASN A 32 2.099 11.630 -1.673 1.00 0.00 O ATOM 560 CB ASN A 32 5.243 12.988 -1.457 1.00 0.00 C ATOM 561 CG ASN A 32 5.446 14.278 -0.684 1.00 0.00 C ATOM 562 OD1 ASN A 32 5.011 15.346 -1.111 1.00 0.00 O ATOM 563 ND2 ASN A 32 6.112 14.182 0.461 1.00 0.00 N ATOM 0 H ASN A 32 6.021 11.201 0.073 1.00 0.00 H new ATOM 0 HA ASN A 32 3.696 12.583 -0.015 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.205 12.494 -1.594 1.00 0.00 H new ATOM 0 HB3 ASN A 32 4.859 13.220 -2.451 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.280 15.015 1.024 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.455 13.275 0.777 1.00 0.00 H new ATOM 570 N GLN A 33 3.844 10.694 -2.740 1.00 0.00 N ATOM 571 CA GLN A 33 3.015 10.069 -3.765 1.00 0.00 C ATOM 572 C GLN A 33 1.927 9.207 -3.139 1.00 0.00 C ATOM 573 O GLN A 33 0.873 8.991 -3.738 1.00 0.00 O ATOM 574 CB GLN A 33 3.869 9.231 -4.712 1.00 0.00 C ATOM 575 CG GLN A 33 4.479 8.001 -4.059 1.00 0.00 C ATOM 576 CD GLN A 33 3.859 6.708 -4.553 1.00 0.00 C ATOM 577 OE1 GLN A 33 3.937 6.381 -5.738 1.00 0.00 O ATOM 578 NE2 GLN A 33 3.237 5.965 -3.646 1.00 0.00 N ATOM 0 H GLN A 33 4.844 10.517 -2.838 1.00 0.00 H new ATOM 0 HA GLN A 33 2.536 10.865 -4.336 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.257 8.917 -5.557 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.669 9.853 -5.112 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.551 7.984 -4.256 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.355 8.069 -2.978 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.196 6.274 -2.675 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.800 5.085 -3.920 1.00 0.00 H new ATOM 587 N ALA A 34 2.174 8.734 -1.922 1.00 0.00 N ATOM 588 CA ALA A 34 1.196 7.922 -1.219 1.00 0.00 C ATOM 589 C ALA A 34 -0.027 8.766 -0.901 1.00 0.00 C ATOM 590 O ALA A 34 -1.136 8.465 -1.334 1.00 0.00 O ATOM 591 CB ALA A 34 1.795 7.341 0.052 1.00 0.00 C ATOM 0 H ALA A 34 3.039 8.899 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 34 0.898 7.090 -1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.046 6.736 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.653 6.718 -0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.116 8.151 0.707 1.00 0.00 H new ATOM 597 N LEU A 35 0.194 9.852 -0.174 1.00 0.00 N ATOM 598 CA LEU A 35 -0.886 10.763 0.169 1.00 0.00 C ATOM 599 C LEU A 35 -1.413 11.441 -1.091 1.00 0.00 C ATOM 600 O LEU A 35 -2.562 11.880 -1.140 1.00 0.00 O ATOM 601 CB LEU A 35 -0.407 11.818 1.167 1.00 0.00 C ATOM 602 CG LEU A 35 0.417 11.272 2.332 1.00 0.00 C ATOM 603 CD1 LEU A 35 1.560 12.217 2.664 1.00 0.00 C ATOM 604 CD2 LEU A 35 -0.466 11.050 3.551 1.00 0.00 C ATOM 0 H LEU A 35 1.108 10.122 0.188 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.689 10.189 0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.190 12.558 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.276 12.339 1.568 1.00 0.00 H new ATOM 0 HG LEU A 35 0.840 10.312 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.136 11.813 3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.207 12.326 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.158 13.191 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.137 10.661 4.371 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.918 11.996 3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.251 10.334 3.306 1.00 0.00 H new ATOM 616 N LEU A 36 -0.556 11.526 -2.108 1.00 0.00 N ATOM 617 CA LEU A 36 -0.927 12.152 -3.368 1.00 0.00 C ATOM 618 C LEU A 36 -2.083 11.410 -4.037 1.00 0.00 C ATOM 619 O LEU A 36 -3.050 12.032 -4.464 1.00 0.00 O ATOM 620 CB LEU A 36 0.283 12.238 -4.305 1.00 0.00 C ATOM 621 CG LEU A 36 0.842 13.648 -4.505 1.00 0.00 C ATOM 622 CD1 LEU A 36 2.324 13.591 -4.843 1.00 0.00 C ATOM 623 CD2 LEU A 36 0.073 14.375 -5.597 1.00 0.00 C ATOM 0 H LEU A 36 0.399 11.168 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.266 13.165 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.075 11.601 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.001 11.833 -5.277 1.00 0.00 H new ATOM 0 HG LEU A 36 0.723 14.201 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.705 14.603 -4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.865 13.108 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.466 13.021 -5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.484 15.376 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.161 13.823 -6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.978 14.447 -5.316 1.00 0.00 H new ATOM 635 N ARG A 37 -1.968 10.093 -4.183 1.00 0.00 N ATOM 636 CA ARG A 37 -3.012 9.315 -4.846 1.00 0.00 C ATOM 637 C ARG A 37 -3.847 8.476 -3.881 1.00 0.00 C ATOM 638 O ARG A 37 -4.865 7.918 -4.284 1.00 0.00 O ATOM 639 CB ARG A 37 -2.386 8.406 -5.897 1.00 0.00 C ATOM 640 CG ARG A 37 -1.343 7.469 -5.317 1.00 0.00 C ATOM 641 CD ARG A 37 -1.374 6.109 -5.995 1.00 0.00 C ATOM 642 NE ARG A 37 -0.255 5.266 -5.580 1.00 0.00 N ATOM 643 CZ ARG A 37 -0.218 4.594 -4.432 1.00 0.00 C ATOM 644 NH1 ARG A 37 -1.233 4.667 -3.579 1.00 0.00 N ATOM 645 NH2 ARG A 37 0.836 3.848 -4.134 1.00 0.00 N ATOM 0 H ARG A 37 -1.172 9.546 -3.855 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.689 10.033 -5.309 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.169 7.819 -6.376 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.927 9.018 -6.673 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.353 7.910 -5.431 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.517 7.347 -4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.313 5.608 -5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.346 6.242 -7.076 1.00 0.00 H new ATOM 0 HE ARG A 37 0.545 5.188 -6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.047 5.240 -3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.199 4.150 -2.701 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.619 3.789 -4.785 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.864 3.333 -3.254 1.00 0.00 H new ATOM 659 N ILE A 38 -3.441 8.364 -2.621 1.00 0.00 N ATOM 660 CA ILE A 38 -4.209 7.564 -1.671 1.00 0.00 C ATOM 661 C ILE A 38 -5.423 8.333 -1.162 1.00 0.00 C ATOM 662 O ILE A 38 -6.552 7.871 -1.288 1.00 0.00 O ATOM 663 CB ILE A 38 -3.343 7.107 -0.476 1.00 0.00 C ATOM 664 CG1 ILE A 38 -2.278 6.117 -0.951 1.00 0.00 C ATOM 665 CG2 ILE A 38 -4.207 6.473 0.608 1.00 0.00 C ATOM 666 CD1 ILE A 38 -1.133 5.947 0.023 1.00 0.00 C ATOM 0 H ILE A 38 -2.605 8.805 -2.239 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.549 6.677 -2.206 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.851 7.982 -0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.746 5.147 -1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.882 6.454 -1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.576 6.159 1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.938 7.200 0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.726 5.606 0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.416 5.231 -0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.640 6.907 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.517 5.580 0.975 1.00 0.00 H new ATOM 678 N LEU A 39 -5.187 9.507 -0.598 1.00 0.00 N ATOM 679 CA LEU A 39 -6.275 10.329 -0.082 1.00 0.00 C ATOM 680 C LEU A 39 -7.006 11.053 -1.217 1.00 0.00 C ATOM 681 O LEU A 39 -8.054 11.652 -0.999 1.00 0.00 O ATOM 682 CB LEU A 39 -5.743 11.331 0.952 1.00 0.00 C ATOM 683 CG LEU A 39 -6.656 12.526 1.240 1.00 0.00 C ATOM 684 CD1 LEU A 39 -7.991 12.058 1.798 1.00 0.00 C ATOM 685 CD2 LEU A 39 -5.981 13.490 2.205 1.00 0.00 C ATOM 0 H LEU A 39 -4.258 9.912 -0.485 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.994 9.673 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.562 10.801 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.780 11.706 0.607 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.843 13.050 0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.625 12.922 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.480 11.407 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.826 11.509 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.643 14.334 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.765 12.976 3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.051 13.852 1.767 1.00 0.00 H new ATOM 697 N LYS A 40 -6.450 10.996 -2.427 1.00 0.00 N ATOM 698 CA LYS A 40 -7.068 11.650 -3.578 1.00 0.00 C ATOM 699 C LYS A 40 -7.871 10.657 -4.400 1.00 0.00 C ATOM 700 O LYS A 40 -8.862 11.013 -5.038 1.00 0.00 O ATOM 701 CB LYS A 40 -6.006 12.304 -4.455 1.00 0.00 C ATOM 702 CG LYS A 40 -5.557 13.659 -3.949 1.00 0.00 C ATOM 703 CD LYS A 40 -4.521 13.530 -2.843 1.00 0.00 C ATOM 704 CE LYS A 40 -5.165 13.385 -1.481 1.00 0.00 C ATOM 705 NZ LYS A 40 -4.864 14.543 -0.594 1.00 0.00 N ATOM 0 H LYS A 40 -5.579 10.507 -2.634 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.743 12.419 -3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.141 11.644 -4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.398 12.414 -5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.139 14.236 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.419 14.213 -3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.887 12.665 -3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.874 14.407 -2.847 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.244 13.290 -1.599 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.814 12.467 -1.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.710 14.784 -0.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.086 14.294 0.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.586 15.361 -1.173 1.00 0.00 H new ATOM 719 N GLU A 41 -7.447 9.407 -4.358 1.00 0.00 N ATOM 720 CA GLU A 41 -8.135 8.348 -5.073 1.00 0.00 C ATOM 721 C GLU A 41 -8.927 7.504 -4.096 1.00 0.00 C ATOM 722 O GLU A 41 -9.517 6.487 -4.460 1.00 0.00 O ATOM 723 CB GLU A 41 -7.127 7.484 -5.815 1.00 0.00 C ATOM 724 CG GLU A 41 -6.143 8.283 -6.642 1.00 0.00 C ATOM 725 CD GLU A 41 -6.454 8.245 -8.126 1.00 0.00 C ATOM 726 OE1 GLU A 41 -6.897 7.183 -8.612 1.00 0.00 O ATOM 727 OE2 GLU A 41 -6.255 9.276 -8.800 1.00 0.00 O ATOM 0 H GLU A 41 -6.627 9.100 -3.835 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.820 8.789 -5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.577 6.880 -5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.662 6.794 -6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.146 9.318 -6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.138 7.896 -6.476 1.00 0.00 H new ATOM 734 N THR A 42 -8.922 7.936 -2.844 1.00 0.00 N ATOM 735 CA THR A 42 -9.621 7.236 -1.793 1.00 0.00 C ATOM 736 C THR A 42 -10.169 8.209 -0.751 1.00 0.00 C ATOM 737 O THR A 42 -10.605 7.797 0.323 1.00 0.00 O ATOM 738 CB THR A 42 -8.675 6.243 -1.140 1.00 0.00 C ATOM 739 OG1 THR A 42 -7.847 5.626 -2.110 1.00 0.00 O ATOM 740 CG2 THR A 42 -9.392 5.157 -0.394 1.00 0.00 C ATOM 0 H THR A 42 -8.434 8.777 -2.536 1.00 0.00 H new ATOM 0 HA THR A 42 -10.468 6.706 -2.228 1.00 0.00 H new ATOM 0 HB THR A 42 -8.083 6.823 -0.432 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.035 6.160 -2.234 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.664 4.479 0.050 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.004 5.599 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.031 4.603 -1.082 1.00 0.00 H new ATOM 748 N GLU A 43 -10.147 9.504 -1.073 1.00 0.00 N ATOM 749 CA GLU A 43 -10.649 10.529 -0.159 1.00 0.00 C ATOM 750 C GLU A 43 -12.017 10.144 0.379 1.00 0.00 C ATOM 751 O GLU A 43 -12.208 10.005 1.586 1.00 0.00 O ATOM 752 CB GLU A 43 -10.750 11.898 -0.854 1.00 0.00 C ATOM 753 CG GLU A 43 -10.845 11.824 -2.372 1.00 0.00 C ATOM 754 CD GLU A 43 -11.388 13.100 -2.986 1.00 0.00 C ATOM 755 OE1 GLU A 43 -11.974 13.914 -2.242 1.00 0.00 O ATOM 756 OE2 GLU A 43 -11.227 13.285 -4.210 1.00 0.00 O ATOM 0 H GLU A 43 -9.788 9.866 -1.957 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.939 10.603 0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.626 12.423 -0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.878 12.494 -0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.857 11.619 -2.784 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.487 10.989 -2.652 1.00 0.00 H new ATOM 763 N PHE A 44 -12.966 9.979 -0.532 1.00 0.00 N ATOM 764 CA PHE A 44 -14.328 9.615 -0.162 1.00 0.00 C ATOM 765 C PHE A 44 -14.542 8.107 -0.239 1.00 0.00 C ATOM 766 O PHE A 44 -15.468 7.573 0.372 1.00 0.00 O ATOM 767 CB PHE A 44 -15.329 10.328 -1.072 1.00 0.00 C ATOM 768 CG PHE A 44 -15.430 11.805 -0.818 1.00 0.00 C ATOM 769 CD1 PHE A 44 -14.578 12.690 -1.459 1.00 0.00 C ATOM 770 CD2 PHE A 44 -16.375 12.308 0.062 1.00 0.00 C ATOM 771 CE1 PHE A 44 -14.668 14.050 -1.227 1.00 0.00 C ATOM 772 CE2 PHE A 44 -16.469 13.666 0.297 1.00 0.00 C ATOM 773 CZ PHE A 44 -15.614 14.538 -0.348 1.00 0.00 C ATOM 0 H PHE A 44 -12.818 10.092 -1.535 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.488 9.928 0.870 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -15.042 10.166 -2.111 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.313 9.877 -0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -13.836 12.313 -2.147 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.046 11.631 0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -13.999 14.730 -1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -17.210 14.045 0.985 1.00 0.00 H new ATOM 0 HZ PHE A 44 -15.685 15.600 -0.165 1.00 0.00 H new ATOM 783 N LYS A 45 -13.697 7.425 -1.004 1.00 0.00 N ATOM 784 CA LYS A 45 -13.819 5.981 -1.162 1.00 0.00 C ATOM 785 C LYS A 45 -13.688 5.259 0.179 1.00 0.00 C ATOM 786 O LYS A 45 -14.533 4.439 0.538 1.00 0.00 O ATOM 787 CB LYS A 45 -12.760 5.456 -2.138 1.00 0.00 C ATOM 788 CG LYS A 45 -12.571 6.326 -3.373 1.00 0.00 C ATOM 789 CD LYS A 45 -13.889 6.611 -4.073 1.00 0.00 C ATOM 790 CE LYS A 45 -13.698 7.554 -5.251 1.00 0.00 C ATOM 791 NZ LYS A 45 -14.981 7.835 -5.952 1.00 0.00 N ATOM 0 H LYS A 45 -12.925 7.846 -1.521 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.811 5.778 -1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.807 5.374 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.038 4.450 -2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.102 7.267 -3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.892 5.830 -4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.328 5.676 -4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.592 7.049 -3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.264 8.490 -4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.988 7.117 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.807 8.481 -6.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.383 6.945 -6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.650 8.275 -5.288 1.00 0.00 H new ATOM 805 N LYS A 46 -12.614 5.553 0.905 1.00 0.00 N ATOM 806 CA LYS A 46 -12.355 4.916 2.193 1.00 0.00 C ATOM 807 C LYS A 46 -13.441 5.226 3.225 1.00 0.00 C ATOM 808 O LYS A 46 -13.823 4.357 4.008 1.00 0.00 O ATOM 809 CB LYS A 46 -10.988 5.350 2.732 1.00 0.00 C ATOM 810 CG LYS A 46 -10.955 6.782 3.245 1.00 0.00 C ATOM 811 CD LYS A 46 -9.582 7.147 3.785 1.00 0.00 C ATOM 812 CE LYS A 46 -9.314 8.639 3.665 1.00 0.00 C ATOM 813 NZ LYS A 46 -10.463 9.451 4.155 1.00 0.00 N ATOM 0 H LYS A 46 -11.906 6.231 0.622 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.361 3.839 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.697 4.678 3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.245 5.240 1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.224 7.465 2.439 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.701 6.906 4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.509 6.846 4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.817 6.594 3.240 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.420 8.894 4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.111 8.889 2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.109 10.331 4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.091 9.680 3.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.992 8.909 4.868 1.00 0.00 H new ATOM 827 N ILE A 47 -13.921 6.465 3.239 1.00 0.00 N ATOM 828 CA ILE A 47 -14.944 6.861 4.202 1.00 0.00 C ATOM 829 C ILE A 47 -16.294 6.224 3.886 1.00 0.00 C ATOM 830 O ILE A 47 -16.908 5.609 4.754 1.00 0.00 O ATOM 831 CB ILE A 47 -15.092 8.396 4.290 1.00 0.00 C ATOM 832 CG1 ILE A 47 -15.625 8.971 2.977 1.00 0.00 C ATOM 833 CG2 ILE A 47 -13.756 9.029 4.654 1.00 0.00 C ATOM 834 CD1 ILE A 47 -15.675 10.483 2.951 1.00 0.00 C ATOM 0 H ILE A 47 -13.623 7.205 2.603 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.609 6.495 5.173 1.00 0.00 H new ATOM 0 HB ILE A 47 -15.814 8.630 5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -14.997 8.623 2.157 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.627 8.580 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.870 10.111 4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.422 8.646 5.618 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.017 8.784 3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -16.063 10.818 1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -16.326 10.839 3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -14.671 10.883 3.096 1.00 0.00 H new ATOM 846 N LYS A 48 -16.759 6.371 2.648 1.00 0.00 N ATOM 847 CA LYS A 48 -18.043 5.799 2.254 1.00 0.00 C ATOM 848 C LYS A 48 -18.098 4.316 2.608 1.00 0.00 C ATOM 849 O LYS A 48 -19.133 3.806 3.036 1.00 0.00 O ATOM 850 CB LYS A 48 -18.286 5.999 0.754 1.00 0.00 C ATOM 851 CG LYS A 48 -17.369 5.175 -0.136 1.00 0.00 C ATOM 852 CD LYS A 48 -17.850 5.165 -1.580 1.00 0.00 C ATOM 853 CE LYS A 48 -18.282 3.774 -2.020 1.00 0.00 C ATOM 854 NZ LYS A 48 -19.722 3.733 -2.397 1.00 0.00 N ATOM 0 H LYS A 48 -16.272 6.876 1.908 1.00 0.00 H new ATOM 0 HA LYS A 48 -18.831 6.316 2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -19.321 5.744 0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.157 7.054 0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.358 5.580 -0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.320 4.153 0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -18.685 5.857 -1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.052 5.521 -2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.675 3.457 -2.868 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -18.098 3.064 -1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -19.977 2.768 -2.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -20.303 4.011 -1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -19.894 4.391 -3.184 1.00 0.00 H new ATOM 868 N VAL A 49 -16.975 3.633 2.423 1.00 0.00 N ATOM 869 CA VAL A 49 -16.885 2.207 2.718 1.00 0.00 C ATOM 870 C VAL A 49 -16.829 1.952 4.222 1.00 0.00 C ATOM 871 O VAL A 49 -17.431 1.002 4.721 1.00 0.00 O ATOM 872 CB VAL A 49 -15.643 1.574 2.053 1.00 0.00 C ATOM 873 CG1 VAL A 49 -15.544 0.092 2.393 1.00 0.00 C ATOM 874 CG2 VAL A 49 -15.678 1.778 0.545 1.00 0.00 C ATOM 0 H VAL A 49 -16.111 4.044 2.069 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.784 1.745 2.311 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.757 2.073 2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.662 -0.333 1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -15.464 -0.029 3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -16.435 -0.424 2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.794 1.325 0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -16.573 1.311 0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -15.691 2.845 0.322 1.00 0.00 H new ATOM 884 N LEU A 50 -16.098 2.799 4.939 1.00 0.00 N ATOM 885 CA LEU A 50 -15.962 2.657 6.384 1.00 0.00 C ATOM 886 C LEU A 50 -17.230 3.105 7.102 1.00 0.00 C ATOM 887 O LEU A 50 -17.563 2.595 8.171 1.00 0.00 O ATOM 888 CB LEU A 50 -14.764 3.463 6.885 1.00 0.00 C ATOM 889 CG LEU A 50 -13.403 2.961 6.402 1.00 0.00 C ATOM 890 CD1 LEU A 50 -12.374 4.080 6.445 1.00 0.00 C ATOM 891 CD2 LEU A 50 -12.944 1.780 7.243 1.00 0.00 C ATOM 0 H LEU A 50 -15.591 3.591 4.543 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.800 1.602 6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.885 4.500 6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.771 3.457 7.975 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.505 2.630 5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.412 3.703 6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.698 4.897 5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.274 4.443 7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.974 1.435 6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.859 2.087 8.285 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.670 0.971 7.161 1.00 0.00 H new ATOM 903 N GLY A 51 -17.937 4.058 6.505 1.00 0.00 N ATOM 904 CA GLY A 51 -19.162 4.556 7.099 1.00 0.00 C ATOM 905 C GLY A 51 -20.393 3.900 6.509 1.00 0.00 C ATOM 906 O GLY A 51 -21.471 4.494 6.485 1.00 0.00 O ATOM 0 H GLY A 51 -17.683 4.495 5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -19.139 4.381 8.175 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -19.222 5.635 6.953 1.00 0.00 H new ATOM 910 N SER A 52 -20.230 2.673 6.030 1.00 0.00 N ATOM 911 CA SER A 52 -21.334 1.931 5.435 1.00 0.00 C ATOM 912 C SER A 52 -22.430 1.675 6.463 1.00 0.00 C ATOM 913 O SER A 52 -23.616 1.647 6.130 1.00 0.00 O ATOM 914 CB SER A 52 -20.835 0.604 4.861 1.00 0.00 C ATOM 915 OG SER A 52 -20.723 -0.381 5.873 1.00 0.00 O ATOM 0 H SER A 52 -19.343 2.170 6.042 1.00 0.00 H new ATOM 0 HA SER A 52 -21.751 2.532 4.627 1.00 0.00 H new ATOM 0 HB2 SER A 52 -21.521 0.258 4.087 1.00 0.00 H new ATOM 0 HB3 SER A 52 -19.866 0.752 4.385 1.00 0.00 H new ATOM 0 HG SER A 52 -20.404 -1.220 5.479 1.00 0.00 H new ATOM 921 N GLY A 53 -22.027 1.490 7.717 1.00 0.00 N ATOM 922 CA GLY A 53 -22.986 1.238 8.776 1.00 0.00 C ATOM 923 C GLY A 53 -23.810 -0.009 8.527 1.00 0.00 C ATOM 924 O GLY A 53 -23.221 -1.047 8.161 1.00 0.00 O ATOM 925 OXT GLY A 53 -25.046 0.051 8.701 1.00 0.00 O ATOM 0 H GLY A 53 -21.053 1.510 8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -22.458 1.137 9.724 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -23.651 2.096 8.871 1.00 0.00 H new TER 929 GLY A 53