USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 655 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0368 (180deg=-0.466) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= -0.0614 K(o=-0.061,f=-1.7!) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.0776 K(o=0.078,f=-2.3!) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 18 THR OG1 : rot 174:sc= -0.82! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc=-0.00558 X(o=-0.0056,f=-0.29) USER MOD Single : A 31 THR OG1 : rot 46:sc= -3.65! USER MOD Single : A 38 GLN : amide:sc= -1.64! C(o=-1.6!,f=-4.3!) USER MOD Single : A 42 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.017) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -1.09 K(o=-1.1,f=-1.9!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -74:sc= -4.9! USER MOD Single : A 55 LYS NZ :NH3+ 149:sc= -3.69! (180deg=-6.24!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 60 GLN : amide:sc= -0.0366 X(o=-0.037,f=-0.32) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 149:sc= -0.0234 (180deg=-0.57) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.822 20.608 -24.482 1.00 0.00 N ATOM 2 CA MET A 1 -5.509 20.200 -23.919 1.00 0.00 C ATOM 3 C MET A 1 -5.626 19.861 -22.436 1.00 0.00 C ATOM 4 O MET A 1 -5.190 20.628 -21.578 1.00 0.00 O ATOM 5 CB MET A 1 -4.517 21.347 -24.121 1.00 0.00 C ATOM 6 CG MET A 1 -5.032 22.692 -23.636 1.00 0.00 C ATOM 7 SD MET A 1 -5.510 23.783 -24.989 1.00 0.00 S ATOM 8 CE MET A 1 -6.278 25.126 -24.087 1.00 0.00 C ATOM 0 H1 MET A 1 -6.707 21.484 -25.031 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.183 19.855 -25.102 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.496 20.771 -23.707 1.00 0.00 H new ATOM 0 HA MET A 1 -5.161 19.304 -24.434 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.591 21.112 -23.596 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.273 21.422 -25.181 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.890 22.534 -22.982 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.261 23.178 -23.038 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.626 25.883 -24.789 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.124 24.744 -23.516 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.551 25.569 -23.406 1.00 0.00 H new ATOM 20 N ARG A 2 -6.218 18.706 -22.143 1.00 0.00 N ATOM 21 CA ARG A 2 -6.393 18.267 -20.763 1.00 0.00 C ATOM 22 C ARG A 2 -6.389 16.744 -20.669 1.00 0.00 C ATOM 23 O ARG A 2 -7.233 16.073 -21.262 1.00 0.00 O ATOM 24 CB ARG A 2 -7.702 18.820 -20.194 1.00 0.00 C ATOM 25 CG ARG A 2 -8.934 18.384 -20.968 1.00 0.00 C ATOM 26 CD ARG A 2 -10.137 19.250 -20.631 1.00 0.00 C ATOM 27 NE ARG A 2 -11.399 18.572 -20.916 1.00 0.00 N ATOM 28 CZ ARG A 2 -12.562 18.925 -20.378 1.00 0.00 C ATOM 29 NH1 ARG A 2 -12.619 19.944 -19.531 1.00 0.00 N ATOM 30 NH2 ARG A 2 -13.668 18.261 -20.685 1.00 0.00 N ATOM 0 H ARG A 2 -6.584 18.059 -22.842 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.557 18.650 -20.178 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.802 18.499 -19.157 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.654 19.909 -20.187 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.732 18.440 -22.038 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.159 17.342 -20.740 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -10.103 19.523 -19.576 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.087 20.177 -21.202 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.387 17.784 -21.564 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.770 20.457 -19.292 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -13.512 20.215 -19.118 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.628 17.477 -21.336 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -14.559 18.535 -20.270 1.00 0.00 H new ATOM 44 N GLN A 3 -5.433 16.206 -19.916 1.00 0.00 N ATOM 45 CA GLN A 3 -5.319 14.762 -19.742 1.00 0.00 C ATOM 46 C GLN A 3 -4.917 14.416 -18.312 1.00 0.00 C ATOM 47 O GLN A 3 -4.164 13.469 -18.080 1.00 0.00 O ATOM 48 CB GLN A 3 -4.295 14.188 -20.725 1.00 0.00 C ATOM 49 CG GLN A 3 -4.399 12.681 -20.898 1.00 0.00 C ATOM 50 CD GLN A 3 -5.311 12.289 -22.045 1.00 0.00 C ATOM 51 OE1 GLN A 3 -6.430 11.822 -21.830 1.00 0.00 O ATOM 52 NE2 GLN A 3 -4.835 12.475 -23.270 1.00 0.00 N ATOM 0 H GLN A 3 -4.727 16.748 -19.417 1.00 0.00 H new ATOM 0 HA GLN A 3 -6.294 14.319 -19.943 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -4.426 14.667 -21.695 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -3.292 14.438 -20.379 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.405 12.269 -21.072 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.771 12.237 -19.974 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.902 12.865 -23.401 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.403 12.228 -24.081 1.00 0.00 H new ATOM 61 N GLN A 4 -5.423 15.189 -17.357 1.00 0.00 N ATOM 62 CA GLN A 4 -5.119 14.965 -15.949 1.00 0.00 C ATOM 63 C GLN A 4 -3.642 15.218 -15.663 1.00 0.00 C ATOM 64 O GLN A 4 -2.795 15.080 -16.546 1.00 0.00 O ATOM 65 CB GLN A 4 -5.492 13.538 -15.546 1.00 0.00 C ATOM 66 CG GLN A 4 -6.752 13.023 -16.224 1.00 0.00 C ATOM 67 CD GLN A 4 -7.314 11.787 -15.550 1.00 0.00 C ATOM 68 OE1 GLN A 4 -6.956 11.466 -14.417 1.00 0.00 O ATOM 69 NE2 GLN A 4 -8.200 11.085 -16.247 1.00 0.00 N ATOM 0 H GLN A 4 -6.046 15.977 -17.533 1.00 0.00 H new ATOM 0 HA GLN A 4 -5.709 15.667 -15.360 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -4.662 12.873 -15.786 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.629 13.499 -14.465 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.508 13.808 -16.222 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.532 12.795 -17.267 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.468 11.388 -17.183 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.613 10.243 -15.846 1.00 0.00 H new ATOM 78 N LEU A 5 -3.341 15.589 -14.423 1.00 0.00 N ATOM 79 CA LEU A 5 -1.968 15.865 -14.017 1.00 0.00 C ATOM 80 C LEU A 5 -1.189 14.571 -13.812 1.00 0.00 C ATOM 81 O LEU A 5 -1.768 13.485 -13.779 1.00 0.00 O ATOM 82 CB LEU A 5 -1.954 16.691 -12.729 1.00 0.00 C ATOM 83 CG LEU A 5 -1.867 18.206 -12.932 1.00 0.00 C ATOM 84 CD1 LEU A 5 -2.329 18.938 -11.681 1.00 0.00 C ATOM 85 CD2 LEU A 5 -0.449 18.614 -13.298 1.00 0.00 C ATOM 0 H LEU A 5 -4.031 15.706 -13.681 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.487 16.434 -14.813 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.857 16.467 -12.162 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.108 16.372 -12.120 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.526 18.482 -13.755 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.261 20.014 -11.843 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.362 18.669 -11.463 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.695 18.657 -10.840 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.406 19.694 -13.439 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.231 18.325 -12.497 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.154 18.116 -14.222 1.00 0.00 H new ATOM 97 N GLU A 6 0.127 14.694 -13.671 1.00 0.00 N ATOM 98 CA GLU A 6 0.988 13.534 -13.469 1.00 0.00 C ATOM 99 C GLU A 6 1.883 13.725 -12.248 1.00 0.00 C ATOM 100 O GLU A 6 3.107 13.772 -12.366 1.00 0.00 O ATOM 101 CB GLU A 6 1.849 13.291 -14.710 1.00 0.00 C ATOM 102 CG GLU A 6 2.176 11.826 -14.948 1.00 0.00 C ATOM 103 CD GLU A 6 3.060 11.617 -16.162 1.00 0.00 C ATOM 104 OE1 GLU A 6 3.301 12.598 -16.898 1.00 0.00 O ATOM 105 OE2 GLU A 6 3.514 10.474 -16.375 1.00 0.00 O ATOM 0 H GLU A 6 0.621 15.586 -13.693 1.00 0.00 H new ATOM 0 HA GLU A 6 0.351 12.666 -13.299 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.331 13.685 -15.584 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.779 13.851 -14.612 1.00 0.00 H new ATOM 0 HG2 GLU A 6 2.673 11.420 -14.067 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.249 11.267 -15.077 1.00 0.00 H new ATOM 112 N MET A 7 1.266 13.836 -11.076 1.00 0.00 N ATOM 113 CA MET A 7 2.009 14.022 -9.836 1.00 0.00 C ATOM 114 C MET A 7 1.260 13.421 -8.652 1.00 0.00 C ATOM 115 O MET A 7 1.331 13.934 -7.534 1.00 0.00 O ATOM 116 CB MET A 7 2.264 15.510 -9.588 1.00 0.00 C ATOM 117 CG MET A 7 3.182 15.780 -8.407 1.00 0.00 C ATOM 118 SD MET A 7 4.482 16.967 -8.793 1.00 0.00 S ATOM 119 CE MET A 7 4.576 17.878 -7.255 1.00 0.00 C ATOM 0 H MET A 7 0.253 13.800 -10.960 1.00 0.00 H new ATOM 0 HA MET A 7 2.964 13.506 -9.937 1.00 0.00 H new ATOM 0 HB2 MET A 7 2.700 15.950 -10.485 1.00 0.00 H new ATOM 0 HB3 MET A 7 1.311 16.010 -9.419 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.591 16.154 -7.571 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.636 14.843 -8.083 1.00 0.00 H new ATOM 0 HE1 MET A 7 5.339 18.652 -7.336 1.00 0.00 H new ATOM 0 HE2 MET A 7 3.611 18.341 -7.047 1.00 0.00 H new ATOM 0 HE3 MET A 7 4.835 17.197 -6.444 1.00 0.00 H new ATOM 129 N GLN A 8 0.543 12.330 -8.902 1.00 0.00 N ATOM 130 CA GLN A 8 -0.213 11.658 -7.853 1.00 0.00 C ATOM 131 C GLN A 8 0.270 10.225 -7.668 1.00 0.00 C ATOM 132 O GLN A 8 -0.383 9.276 -8.105 1.00 0.00 O ATOM 133 CB GLN A 8 -1.706 11.662 -8.188 1.00 0.00 C ATOM 134 CG GLN A 8 -2.591 11.242 -7.025 1.00 0.00 C ATOM 135 CD GLN A 8 -4.054 11.146 -7.409 1.00 0.00 C ATOM 136 OE1 GLN A 8 -4.396 11.086 -8.591 1.00 0.00 O ATOM 137 NE2 GLN A 8 -4.929 11.129 -6.410 1.00 0.00 N ATOM 0 H GLN A 8 0.470 11.893 -9.821 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.054 12.201 -6.922 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.995 12.662 -8.511 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.883 10.992 -9.029 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.254 10.276 -6.648 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.479 11.959 -6.211 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.602 11.181 -5.445 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.928 11.064 -6.608 1.00 0.00 H new ATOM 146 N LYS A 9 1.420 10.073 -7.019 1.00 0.00 N ATOM 147 CA LYS A 9 1.991 8.755 -6.779 1.00 0.00 C ATOM 148 C LYS A 9 3.272 8.854 -5.958 1.00 0.00 C ATOM 149 O LYS A 9 3.529 8.022 -5.090 1.00 0.00 O ATOM 150 CB LYS A 9 2.275 8.053 -8.109 1.00 0.00 C ATOM 151 CG LYS A 9 1.252 6.985 -8.462 1.00 0.00 C ATOM 152 CD LYS A 9 1.894 5.611 -8.573 1.00 0.00 C ATOM 153 CE LYS A 9 2.258 5.279 -10.011 1.00 0.00 C ATOM 154 NZ LYS A 9 2.751 3.881 -10.151 1.00 0.00 N ATOM 0 H LYS A 9 1.974 10.846 -6.651 1.00 0.00 H new ATOM 0 HA LYS A 9 1.266 8.170 -6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.301 8.797 -8.905 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.264 7.597 -8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.471 6.962 -7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.770 7.240 -9.406 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.790 5.576 -7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.209 4.856 -8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.385 5.422 -10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.024 5.971 -10.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.988 3.695 -11.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.599 3.751 -9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.011 3.219 -9.842 1.00 0.00 H new ATOM 168 N LYS A 10 4.071 9.880 -6.235 1.00 0.00 N ATOM 169 CA LYS A 10 5.326 10.079 -5.521 1.00 0.00 C ATOM 170 C LYS A 10 5.071 10.571 -4.100 1.00 0.00 C ATOM 171 O LYS A 10 5.778 10.187 -3.167 1.00 0.00 O ATOM 172 CB LYS A 10 6.218 11.064 -6.275 1.00 0.00 C ATOM 173 CG LYS A 10 7.490 11.440 -5.530 1.00 0.00 C ATOM 174 CD LYS A 10 7.763 12.933 -5.614 1.00 0.00 C ATOM 175 CE LYS A 10 6.683 13.736 -4.909 1.00 0.00 C ATOM 176 NZ LYS A 10 7.231 14.968 -4.275 1.00 0.00 N ATOM 0 H LYS A 10 3.872 10.584 -6.946 1.00 0.00 H new ATOM 0 HA LYS A 10 5.839 9.119 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.488 10.631 -7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.648 11.970 -6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.402 11.143 -4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.334 10.891 -5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.732 13.153 -5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.819 13.236 -6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.909 14.010 -5.625 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.208 13.116 -4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.463 15.488 -3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.952 14.706 -3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.661 15.572 -5.004 1.00 0.00 H new ATOM 190 N GLN A 11 4.047 11.404 -3.931 1.00 0.00 N ATOM 191 CA GLN A 11 3.694 11.907 -2.608 1.00 0.00 C ATOM 192 C GLN A 11 3.490 10.737 -1.654 1.00 0.00 C ATOM 193 O GLN A 11 3.994 10.734 -0.531 1.00 0.00 O ATOM 194 CB GLN A 11 2.426 12.759 -2.680 1.00 0.00 C ATOM 195 CG GLN A 11 2.523 13.907 -3.672 1.00 0.00 C ATOM 196 CD GLN A 11 1.366 14.878 -3.558 1.00 0.00 C ATOM 197 OE1 GLN A 11 0.205 14.474 -3.501 1.00 0.00 O ATOM 198 NE2 GLN A 11 1.678 16.169 -3.526 1.00 0.00 N ATOM 0 H GLN A 11 3.452 11.742 -4.687 1.00 0.00 H new ATOM 0 HA GLN A 11 4.506 12.533 -2.239 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.585 12.122 -2.954 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.211 13.162 -1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.459 14.443 -3.511 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.556 13.505 -4.685 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.655 16.459 -3.576 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.941 16.870 -3.451 1.00 0.00 H new ATOM 207 N ILE A 12 2.783 9.723 -2.140 1.00 0.00 N ATOM 208 CA ILE A 12 2.556 8.506 -1.385 1.00 0.00 C ATOM 209 C ILE A 12 3.869 7.753 -1.215 1.00 0.00 C ATOM 210 O ILE A 12 4.157 7.203 -0.152 1.00 0.00 O ATOM 211 CB ILE A 12 1.535 7.590 -2.095 1.00 0.00 C ATOM 212 CG1 ILE A 12 0.441 8.421 -2.786 1.00 0.00 C ATOM 213 CG2 ILE A 12 0.926 6.627 -1.107 1.00 0.00 C ATOM 214 CD1 ILE A 12 -0.760 7.613 -3.235 1.00 0.00 C ATOM 0 H ILE A 12 2.354 9.725 -3.066 1.00 0.00 H new ATOM 0 HA ILE A 12 2.155 8.784 -0.410 1.00 0.00 H new ATOM 0 HB ILE A 12 2.059 7.020 -2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.106 9.201 -2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.873 8.922 -3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.208 5.986 -1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.711 6.012 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.418 7.185 -0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.485 8.273 -3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.441 6.850 -3.945 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.220 7.134 -2.371 1.00 0.00 H new ATOM 226 N MET A 13 4.666 7.748 -2.281 1.00 0.00 N ATOM 227 CA MET A 13 5.968 7.094 -2.278 1.00 0.00 C ATOM 228 C MET A 13 6.854 7.666 -1.183 1.00 0.00 C ATOM 229 O MET A 13 7.711 6.972 -0.636 1.00 0.00 O ATOM 230 CB MET A 13 6.632 7.265 -3.644 1.00 0.00 C ATOM 231 CG MET A 13 8.082 6.811 -3.688 1.00 0.00 C ATOM 232 SD MET A 13 9.236 8.119 -3.232 1.00 0.00 S ATOM 233 CE MET A 13 10.026 8.437 -4.807 1.00 0.00 C ATOM 0 H MET A 13 4.427 8.195 -3.166 1.00 0.00 H new ATOM 0 HA MET A 13 5.828 6.032 -2.079 1.00 0.00 H new ATOM 0 HB2 MET A 13 6.064 6.704 -4.386 1.00 0.00 H new ATOM 0 HB3 MET A 13 6.582 8.315 -3.932 1.00 0.00 H new ATOM 0 HG2 MET A 13 8.214 5.965 -3.014 1.00 0.00 H new ATOM 0 HG3 MET A 13 8.318 6.458 -4.692 1.00 0.00 H new ATOM 0 HE1 MET A 13 10.769 9.226 -4.689 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.514 7.528 -5.159 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.276 8.751 -5.533 1.00 0.00 H new ATOM 243 N MET A 14 6.642 8.934 -0.868 1.00 0.00 N ATOM 244 CA MET A 14 7.396 9.594 0.177 1.00 0.00 C ATOM 245 C MET A 14 6.857 9.204 1.556 1.00 0.00 C ATOM 246 O MET A 14 7.526 9.403 2.569 1.00 0.00 O ATOM 247 CB MET A 14 7.333 11.114 -0.025 1.00 0.00 C ATOM 248 CG MET A 14 7.745 11.923 1.192 1.00 0.00 C ATOM 249 SD MET A 14 7.970 13.673 0.822 1.00 0.00 S ATOM 250 CE MET A 14 7.866 14.382 2.463 1.00 0.00 C ATOM 0 H MET A 14 5.949 9.526 -1.326 1.00 0.00 H new ATOM 0 HA MET A 14 8.437 9.275 0.123 1.00 0.00 H new ATOM 0 HB2 MET A 14 7.977 11.385 -0.862 1.00 0.00 H new ATOM 0 HB3 MET A 14 6.316 11.390 -0.303 1.00 0.00 H new ATOM 0 HG2 MET A 14 6.988 11.815 1.968 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.674 11.519 1.594 1.00 0.00 H new ATOM 0 HE1 MET A 14 7.987 15.463 2.400 1.00 0.00 H new ATOM 0 HE2 MET A 14 6.894 14.150 2.899 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.654 13.965 3.090 1.00 0.00 H new ATOM 260 N GLN A 15 5.641 8.654 1.591 1.00 0.00 N ATOM 261 CA GLN A 15 5.018 8.275 2.853 1.00 0.00 C ATOM 262 C GLN A 15 5.167 6.784 3.141 1.00 0.00 C ATOM 263 O GLN A 15 5.543 6.396 4.246 1.00 0.00 O ATOM 264 CB GLN A 15 3.532 8.632 2.809 1.00 0.00 C ATOM 265 CG GLN A 15 3.267 10.119 2.634 1.00 0.00 C ATOM 266 CD GLN A 15 2.063 10.594 3.422 1.00 0.00 C ATOM 267 OE1 GLN A 15 1.966 10.366 4.628 1.00 0.00 O ATOM 268 NE2 GLN A 15 1.137 11.263 2.744 1.00 0.00 N ATOM 0 H GLN A 15 5.075 8.464 0.764 1.00 0.00 H new ATOM 0 HA GLN A 15 5.523 8.821 3.650 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.061 8.089 1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.058 8.293 3.730 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.147 10.680 2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.113 10.335 1.577 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.257 11.430 1.745 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.306 11.610 3.222 1.00 0.00 H new ATOM 277 N ILE A 16 4.883 5.952 2.143 1.00 0.00 N ATOM 278 CA ILE A 16 4.986 4.503 2.306 1.00 0.00 C ATOM 279 C ILE A 16 4.534 3.772 1.042 1.00 0.00 C ATOM 280 O ILE A 16 3.650 2.918 1.091 1.00 0.00 O ATOM 281 CB ILE A 16 4.154 4.014 3.509 1.00 0.00 C ATOM 282 CG1 ILE A 16 4.238 2.492 3.647 1.00 0.00 C ATOM 283 CG2 ILE A 16 2.710 4.466 3.365 1.00 0.00 C ATOM 284 CD1 ILE A 16 4.140 2.006 5.076 1.00 0.00 C ATOM 0 H ILE A 16 4.581 6.253 1.216 1.00 0.00 H new ATOM 0 HA ILE A 16 6.036 4.276 2.490 1.00 0.00 H new ATOM 0 HB ILE A 16 4.566 4.454 4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.438 2.038 3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.180 2.148 3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.132 4.115 4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.672 5.555 3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.289 4.053 2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.207 0.918 5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.956 2.431 5.661 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.187 2.318 5.502 1.00 0.00 H new ATOM 296 N LEU A 17 5.126 4.124 -0.093 1.00 0.00 N ATOM 297 CA LEU A 17 4.769 3.495 -1.359 1.00 0.00 C ATOM 298 C LEU A 17 6.003 2.942 -2.059 1.00 0.00 C ATOM 299 O LEU A 17 7.006 3.639 -2.214 1.00 0.00 O ATOM 300 CB LEU A 17 4.071 4.499 -2.277 1.00 0.00 C ATOM 301 CG LEU A 17 2.772 4.028 -2.917 1.00 0.00 C ATOM 302 CD1 LEU A 17 2.406 4.946 -4.076 1.00 0.00 C ATOM 303 CD2 LEU A 17 2.889 2.585 -3.387 1.00 0.00 C ATOM 0 H LEU A 17 5.851 4.838 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 17 4.089 2.672 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.863 5.402 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.764 4.778 -3.071 1.00 0.00 H new ATOM 0 HG LEU A 17 1.979 4.069 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.476 4.605 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.278 5.964 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.202 4.927 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.948 2.273 -3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.690 2.506 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.113 1.942 -2.536 1.00 0.00 H new ATOM 315 N THR A 18 5.915 1.695 -2.501 1.00 0.00 N ATOM 316 CA THR A 18 7.011 1.063 -3.218 1.00 0.00 C ATOM 317 C THR A 18 6.605 0.782 -4.658 1.00 0.00 C ATOM 318 O THR A 18 5.455 0.431 -4.927 1.00 0.00 O ATOM 319 CB THR A 18 7.422 -0.238 -2.526 1.00 0.00 C ATOM 320 OG1 THR A 18 6.282 -0.949 -2.076 1.00 0.00 O ATOM 321 CG2 THR A 18 8.331 -0.022 -1.335 1.00 0.00 C ATOM 0 H THR A 18 5.095 1.102 -2.375 1.00 0.00 H new ATOM 0 HA THR A 18 7.863 1.743 -3.217 1.00 0.00 H new ATOM 0 HB THR A 18 7.968 -0.806 -3.279 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.557 -1.824 -1.731 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.584 -0.985 -0.891 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.243 0.479 -1.660 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.821 0.596 -0.596 1.00 0.00 H new ATOM 329 N PRO A 19 7.532 0.951 -5.613 1.00 0.00 N ATOM 330 CA PRO A 19 7.255 0.702 -7.025 1.00 0.00 C ATOM 331 C PRO A 19 6.558 -0.638 -7.222 1.00 0.00 C ATOM 332 O PRO A 19 5.682 -0.778 -8.076 1.00 0.00 O ATOM 333 CB PRO A 19 8.644 0.699 -7.685 1.00 0.00 C ATOM 334 CG PRO A 19 9.630 0.722 -6.559 1.00 0.00 C ATOM 335 CD PRO A 19 8.924 1.356 -5.396 1.00 0.00 C ATOM 0 HA PRO A 19 6.587 1.449 -7.454 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.780 -0.186 -8.306 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.771 1.566 -8.334 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.961 -0.287 -6.311 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.519 1.291 -6.832 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.308 0.995 -4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.036 2.440 -5.395 1.00 0.00 H new ATOM 343 N GLU A 20 6.942 -1.613 -6.407 1.00 0.00 N ATOM 344 CA GLU A 20 6.343 -2.938 -6.459 1.00 0.00 C ATOM 345 C GLU A 20 4.939 -2.932 -5.864 1.00 0.00 C ATOM 346 O GLU A 20 4.077 -3.691 -6.290 1.00 0.00 O ATOM 347 CB GLU A 20 7.216 -3.946 -5.708 1.00 0.00 C ATOM 348 CG GLU A 20 7.415 -5.256 -6.457 1.00 0.00 C ATOM 349 CD GLU A 20 8.739 -5.917 -6.130 1.00 0.00 C ATOM 350 OE1 GLU A 20 9.327 -5.582 -5.081 1.00 0.00 O ATOM 351 OE2 GLU A 20 9.188 -6.771 -6.924 1.00 0.00 O ATOM 0 H GLU A 20 7.669 -1.508 -5.699 1.00 0.00 H new ATOM 0 HA GLU A 20 6.273 -3.231 -7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.190 -3.497 -5.513 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.763 -4.156 -4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.601 -5.938 -6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.361 -5.069 -7.530 1.00 0.00 H new ATOM 358 N ALA A 21 4.722 -2.090 -4.858 1.00 0.00 N ATOM 359 CA ALA A 21 3.433 -2.042 -4.174 1.00 0.00 C ATOM 360 C ALA A 21 2.278 -1.858 -5.156 1.00 0.00 C ATOM 361 O ALA A 21 1.325 -2.642 -5.159 1.00 0.00 O ATOM 362 CB ALA A 21 3.429 -0.921 -3.142 1.00 0.00 C ATOM 0 H ALA A 21 5.417 -1.435 -4.500 1.00 0.00 H new ATOM 0 HA ALA A 21 3.289 -2.998 -3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.463 -0.894 -2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.216 -1.098 -2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.605 0.033 -3.640 1.00 0.00 H new ATOM 368 N ARG A 22 2.378 -0.845 -6.008 1.00 0.00 N ATOM 369 CA ARG A 22 1.328 -0.564 -6.980 1.00 0.00 C ATOM 370 C ARG A 22 1.351 -1.565 -8.132 1.00 0.00 C ATOM 371 O ARG A 22 0.311 -2.094 -8.525 1.00 0.00 O ATOM 372 CB ARG A 22 1.457 0.866 -7.509 1.00 0.00 C ATOM 373 CG ARG A 22 0.472 1.834 -6.868 1.00 0.00 C ATOM 374 CD ARG A 22 -0.435 2.475 -7.907 1.00 0.00 C ATOM 375 NE ARG A 22 -1.752 1.843 -7.945 1.00 0.00 N ATOM 376 CZ ARG A 22 -2.752 2.267 -8.710 1.00 0.00 C ATOM 377 NH1 ARG A 22 -2.588 3.320 -9.500 1.00 0.00 N ATOM 378 NH2 ARG A 22 -3.920 1.639 -8.687 1.00 0.00 N ATOM 0 H ARG A 22 3.172 -0.206 -6.046 1.00 0.00 H new ATOM 0 HA ARG A 22 0.369 -0.665 -6.472 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.472 1.221 -7.333 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.303 0.863 -8.588 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.133 1.305 -6.132 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.019 2.610 -6.332 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.548 3.536 -7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.031 2.403 -8.890 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.913 1.030 -7.350 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.692 3.807 -9.521 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.358 3.643 -10.086 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.052 0.829 -8.081 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.687 1.966 -9.275 1.00 0.00 H new ATOM 392 N SER A 23 2.538 -1.821 -8.670 1.00 0.00 N ATOM 393 CA SER A 23 2.687 -2.759 -9.777 1.00 0.00 C ATOM 394 C SER A 23 2.259 -4.164 -9.364 1.00 0.00 C ATOM 395 O SER A 23 1.580 -4.864 -10.116 1.00 0.00 O ATOM 396 CB SER A 23 4.139 -2.780 -10.262 1.00 0.00 C ATOM 397 OG SER A 23 4.215 -2.547 -11.657 1.00 0.00 O ATOM 0 H SER A 23 3.410 -1.393 -8.358 1.00 0.00 H new ATOM 0 HA SER A 23 2.042 -2.426 -10.590 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.714 -2.021 -9.732 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.590 -3.744 -10.026 1.00 0.00 H new ATOM 0 HG SER A 23 5.153 -2.564 -11.941 1.00 0.00 H new ATOM 403 N ARG A 24 2.662 -4.570 -8.165 1.00 0.00 N ATOM 404 CA ARG A 24 2.319 -5.889 -7.646 1.00 0.00 C ATOM 405 C ARG A 24 0.808 -6.073 -7.594 1.00 0.00 C ATOM 406 O ARG A 24 0.272 -7.038 -8.140 1.00 0.00 O ATOM 407 CB ARG A 24 2.910 -6.078 -6.248 1.00 0.00 C ATOM 408 CG ARG A 24 2.588 -7.426 -5.628 1.00 0.00 C ATOM 409 CD ARG A 24 2.583 -7.350 -4.109 1.00 0.00 C ATOM 410 NE ARG A 24 2.623 -8.673 -3.493 1.00 0.00 N ATOM 411 CZ ARG A 24 3.699 -9.451 -3.490 1.00 0.00 C ATOM 412 NH1 ARG A 24 4.819 -9.039 -4.069 1.00 0.00 N ATOM 413 NH2 ARG A 24 3.657 -10.642 -2.909 1.00 0.00 N ATOM 0 H ARG A 24 3.228 -4.003 -7.533 1.00 0.00 H new ATOM 0 HA ARG A 24 2.739 -6.638 -8.318 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.992 -5.962 -6.302 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.537 -5.289 -5.595 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.614 -7.767 -5.980 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.321 -8.163 -5.955 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.441 -6.768 -3.773 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.689 -6.822 -3.776 1.00 0.00 H new ATOM 0 HE ARG A 24 1.777 -9.019 -3.040 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.854 -8.123 -4.517 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.645 -9.638 -4.066 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.797 -10.962 -2.463 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.485 -11.238 -2.908 1.00 0.00 H new ATOM 427 N LEU A 25 0.126 -5.142 -6.936 1.00 0.00 N ATOM 428 CA LEU A 25 -1.324 -5.207 -6.812 1.00 0.00 C ATOM 429 C LEU A 25 -1.977 -5.417 -8.173 1.00 0.00 C ATOM 430 O LEU A 25 -2.882 -6.238 -8.320 1.00 0.00 O ATOM 431 CB LEU A 25 -1.857 -3.930 -6.163 1.00 0.00 C ATOM 432 CG LEU A 25 -2.771 -4.149 -4.955 1.00 0.00 C ATOM 433 CD1 LEU A 25 -3.072 -2.826 -4.268 1.00 0.00 C ATOM 434 CD2 LEU A 25 -4.058 -4.841 -5.379 1.00 0.00 C ATOM 0 H LEU A 25 0.554 -4.335 -6.481 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.574 -6.058 -6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.010 -3.318 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.404 -3.360 -6.914 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.255 -4.794 -4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.723 -3.001 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.141 -2.372 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.568 -2.156 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.696 -4.989 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.580 -4.223 -6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.822 -5.808 -5.824 1.00 0.00 H new ATOM 446 N ALA A 26 -1.503 -4.678 -9.168 1.00 0.00 N ATOM 447 CA ALA A 26 -2.018 -4.803 -10.523 1.00 0.00 C ATOM 448 C ALA A 26 -1.829 -6.224 -11.038 1.00 0.00 C ATOM 449 O ALA A 26 -2.690 -6.774 -11.724 1.00 0.00 O ATOM 450 CB ALA A 26 -1.315 -3.816 -11.441 1.00 0.00 C ATOM 0 H ALA A 26 -0.762 -3.985 -9.061 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.085 -4.579 -10.511 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.707 -3.917 -12.453 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.488 -2.801 -11.085 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.245 -4.021 -11.445 1.00 0.00 H new ATOM 456 N ASN A 27 -0.681 -6.802 -10.706 1.00 0.00 N ATOM 457 CA ASN A 27 -0.340 -8.153 -11.125 1.00 0.00 C ATOM 458 C ASN A 27 -1.152 -9.195 -10.369 1.00 0.00 C ATOM 459 O ASN A 27 -1.591 -10.189 -10.937 1.00 0.00 O ATOM 460 CB ASN A 27 1.142 -8.400 -10.871 1.00 0.00 C ATOM 461 CG ASN A 27 1.609 -9.741 -11.400 1.00 0.00 C ATOM 462 OD1 ASN A 27 1.422 -10.775 -10.759 1.00 0.00 O ATOM 463 ND2 ASN A 27 2.224 -9.730 -12.577 1.00 0.00 N ATOM 0 H ASN A 27 0.037 -6.348 -10.141 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.569 -8.244 -12.187 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.724 -7.606 -11.339 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.337 -8.349 -9.800 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.563 -10.602 -12.984 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.358 -8.850 -13.074 1.00 0.00 H new ATOM 470 N LEU A 28 -1.291 -8.983 -9.070 1.00 0.00 N ATOM 471 CA LEU A 28 -1.992 -9.917 -8.200 1.00 0.00 C ATOM 472 C LEU A 28 -3.446 -10.128 -8.620 1.00 0.00 C ATOM 473 O LEU A 28 -4.066 -11.134 -8.282 1.00 0.00 O ATOM 474 CB LEU A 28 -1.935 -9.425 -6.765 1.00 0.00 C ATOM 475 CG LEU A 28 -0.797 -10.015 -5.929 1.00 0.00 C ATOM 476 CD1 LEU A 28 -0.252 -8.973 -4.965 1.00 0.00 C ATOM 477 CD2 LEU A 28 -1.268 -11.252 -5.179 1.00 0.00 C ATOM 0 H LEU A 28 -0.923 -8.162 -8.589 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.488 -10.880 -8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.837 -8.339 -6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.882 -9.657 -6.278 1.00 0.00 H new ATOM 0 HG LEU A 28 0.007 -10.313 -6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.557 -9.408 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.127 -8.120 -5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.048 -8.643 -4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.444 -11.656 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.090 -10.984 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.607 -12.003 -5.893 1.00 0.00 H new ATOM 489 N ARG A 29 -4.002 -9.162 -9.321 1.00 0.00 N ATOM 490 CA ARG A 29 -5.406 -9.225 -9.720 1.00 0.00 C ATOM 491 C ARG A 29 -5.748 -10.580 -10.345 1.00 0.00 C ATOM 492 O ARG A 29 -6.887 -11.037 -10.254 1.00 0.00 O ATOM 493 CB ARG A 29 -5.730 -8.107 -10.717 1.00 0.00 C ATOM 494 CG ARG A 29 -5.304 -6.721 -10.253 1.00 0.00 C ATOM 495 CD ARG A 29 -5.956 -6.349 -8.933 1.00 0.00 C ATOM 496 NE ARG A 29 -6.748 -5.128 -9.041 1.00 0.00 N ATOM 497 CZ ARG A 29 -6.218 -3.912 -9.105 1.00 0.00 C ATOM 498 NH1 ARG A 29 -4.902 -3.756 -9.067 1.00 0.00 N ATOM 499 NH2 ARG A 29 -7.005 -2.849 -9.204 1.00 0.00 N ATOM 0 H ARG A 29 -3.511 -8.323 -9.629 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.008 -9.096 -8.821 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.241 -8.327 -11.666 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.804 -8.102 -10.905 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.220 -6.690 -10.146 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.570 -5.985 -11.011 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.595 -7.167 -8.600 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.186 -6.216 -8.173 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.764 -5.213 -9.069 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.294 -4.571 -8.988 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.498 -2.821 -9.116 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.018 -2.965 -9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.597 -1.915 -9.253 1.00 0.00 H new ATOM 513 N LEU A 30 -4.763 -11.227 -10.966 1.00 0.00 N ATOM 514 CA LEU A 30 -4.990 -12.523 -11.589 1.00 0.00 C ATOM 515 C LEU A 30 -4.760 -13.677 -10.609 1.00 0.00 C ATOM 516 O LEU A 30 -5.194 -14.800 -10.860 1.00 0.00 O ATOM 517 CB LEU A 30 -4.095 -12.695 -12.819 1.00 0.00 C ATOM 518 CG LEU A 30 -2.677 -12.142 -12.695 1.00 0.00 C ATOM 519 CD1 LEU A 30 -1.957 -12.774 -11.512 1.00 0.00 C ATOM 520 CD2 LEU A 30 -1.901 -12.382 -13.982 1.00 0.00 C ATOM 0 H LEU A 30 -3.809 -10.876 -11.049 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.035 -12.552 -11.899 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.031 -13.758 -13.052 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.580 -12.212 -13.667 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.739 -11.067 -12.523 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.948 -12.367 -11.440 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.503 -12.555 -10.594 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.904 -13.854 -11.653 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.892 -11.982 -13.878 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.849 -13.452 -14.181 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.406 -11.883 -14.810 1.00 0.00 H new ATOM 532 N THR A 31 -4.078 -13.406 -9.493 1.00 0.00 N ATOM 533 CA THR A 31 -3.831 -14.446 -8.494 1.00 0.00 C ATOM 534 C THR A 31 -5.083 -14.688 -7.659 1.00 0.00 C ATOM 535 O THR A 31 -5.838 -15.626 -7.920 1.00 0.00 O ATOM 536 CB THR A 31 -2.658 -14.075 -7.581 1.00 0.00 C ATOM 537 OG1 THR A 31 -2.431 -12.683 -7.587 1.00 0.00 O ATOM 538 CG2 THR A 31 -1.360 -14.740 -7.967 1.00 0.00 C ATOM 0 H THR A 31 -3.693 -12.490 -9.262 1.00 0.00 H new ATOM 0 HA THR A 31 -3.572 -15.362 -9.025 1.00 0.00 H new ATOM 0 HB THR A 31 -2.953 -14.426 -6.592 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.286 -12.212 -7.498 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.574 -14.432 -7.278 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.478 -15.823 -7.922 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.089 -14.447 -8.981 1.00 0.00 H new ATOM 546 N ARG A 32 -5.309 -13.838 -6.661 1.00 0.00 N ATOM 547 CA ARG A 32 -6.498 -13.960 -5.823 1.00 0.00 C ATOM 548 C ARG A 32 -7.346 -12.695 -5.900 1.00 0.00 C ATOM 549 O ARG A 32 -6.849 -11.594 -5.664 1.00 0.00 O ATOM 550 CB ARG A 32 -6.124 -14.207 -4.354 1.00 0.00 C ATOM 551 CG ARG A 32 -4.749 -14.825 -4.144 1.00 0.00 C ATOM 552 CD ARG A 32 -3.761 -13.809 -3.599 1.00 0.00 C ATOM 553 NE ARG A 32 -2.893 -14.383 -2.574 1.00 0.00 N ATOM 554 CZ ARG A 32 -2.035 -15.372 -2.802 1.00 0.00 C ATOM 555 NH1 ARG A 32 -1.928 -15.895 -4.016 1.00 0.00 N ATOM 556 NH2 ARG A 32 -1.283 -15.840 -1.815 1.00 0.00 N ATOM 0 H ARG A 32 -4.691 -13.065 -6.414 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.066 -14.811 -6.199 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.167 -13.259 -3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.873 -14.860 -3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.828 -15.665 -3.453 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.379 -15.223 -5.089 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.151 -13.423 -4.416 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.306 -12.963 -3.180 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.949 -14.003 -1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.505 -15.538 -4.778 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.269 -16.654 -4.188 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.363 -15.441 -0.880 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.625 -16.599 -1.991 1.00 0.00 H new ATOM 570 N PRO A 33 -8.652 -12.833 -6.179 1.00 0.00 N ATOM 571 CA PRO A 33 -9.568 -11.696 -6.196 1.00 0.00 C ATOM 572 C PRO A 33 -9.850 -11.192 -4.784 1.00 0.00 C ATOM 573 O PRO A 33 -10.190 -10.027 -4.580 1.00 0.00 O ATOM 574 CB PRO A 33 -10.834 -12.271 -6.829 1.00 0.00 C ATOM 575 CG PRO A 33 -10.803 -13.717 -6.473 1.00 0.00 C ATOM 576 CD PRO A 33 -9.351 -14.109 -6.433 1.00 0.00 C ATOM 0 HA PRO A 33 -9.167 -10.840 -6.739 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.729 -11.785 -6.440 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.838 -12.128 -7.910 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.280 -13.891 -5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.346 -14.311 -7.208 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.154 -14.837 -5.646 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.032 -14.561 -7.372 1.00 0.00 H new ATOM 584 N ASP A 34 -9.717 -12.096 -3.812 1.00 0.00 N ATOM 585 CA ASP A 34 -9.967 -11.774 -2.413 1.00 0.00 C ATOM 586 C ASP A 34 -9.097 -10.617 -1.951 1.00 0.00 C ATOM 587 O ASP A 34 -9.591 -9.630 -1.402 1.00 0.00 O ATOM 588 CB ASP A 34 -9.693 -12.996 -1.536 1.00 0.00 C ATOM 589 CG ASP A 34 -10.396 -14.240 -2.041 1.00 0.00 C ATOM 590 OD1 ASP A 34 -11.642 -14.283 -1.982 1.00 0.00 O ATOM 591 OD2 ASP A 34 -9.699 -15.169 -2.501 1.00 0.00 O ATOM 0 H ASP A 34 -9.435 -13.063 -3.974 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.013 -11.481 -2.320 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.619 -13.179 -1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.017 -12.788 -0.516 1.00 0.00 H new ATOM 596 N PHE A 35 -7.800 -10.750 -2.168 1.00 0.00 N ATOM 597 CA PHE A 35 -6.850 -9.727 -1.766 1.00 0.00 C ATOM 598 C PHE A 35 -7.185 -8.393 -2.443 1.00 0.00 C ATOM 599 O PHE A 35 -7.157 -7.341 -1.807 1.00 0.00 O ATOM 600 CB PHE A 35 -5.419 -10.218 -2.073 1.00 0.00 C ATOM 601 CG PHE A 35 -4.503 -9.230 -2.746 1.00 0.00 C ATOM 602 CD1 PHE A 35 -4.633 -8.955 -4.096 1.00 0.00 C ATOM 603 CD2 PHE A 35 -3.500 -8.602 -2.031 1.00 0.00 C ATOM 604 CE1 PHE A 35 -3.787 -8.058 -4.718 1.00 0.00 C ATOM 605 CE2 PHE A 35 -2.645 -7.711 -2.648 1.00 0.00 C ATOM 606 CZ PHE A 35 -2.794 -7.432 -3.991 1.00 0.00 C ATOM 0 H PHE A 35 -7.379 -11.560 -2.623 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.914 -9.549 -0.693 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.956 -10.530 -1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.490 -11.104 -2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.405 -9.447 -4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.384 -8.811 -0.978 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.902 -7.847 -5.771 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.860 -7.233 -2.080 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.135 -6.725 -4.473 1.00 0.00 H new ATOM 616 N VAL A 36 -7.550 -8.451 -3.718 1.00 0.00 N ATOM 617 CA VAL A 36 -7.896 -7.249 -4.470 1.00 0.00 C ATOM 618 C VAL A 36 -9.072 -6.506 -3.839 1.00 0.00 C ATOM 619 O VAL A 36 -9.013 -5.294 -3.631 1.00 0.00 O ATOM 620 CB VAL A 36 -8.260 -7.582 -5.931 1.00 0.00 C ATOM 621 CG1 VAL A 36 -8.440 -6.307 -6.740 1.00 0.00 C ATOM 622 CG2 VAL A 36 -7.208 -8.476 -6.563 1.00 0.00 C ATOM 0 H VAL A 36 -7.614 -9.317 -4.254 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.011 -6.613 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.205 -8.125 -5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.696 -6.562 -7.768 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.240 -5.709 -6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.512 -5.735 -6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.489 -8.696 -7.593 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.244 -7.968 -6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.136 -9.407 -6.000 1.00 0.00 H new ATOM 632 N GLU A 37 -10.150 -7.234 -3.565 1.00 0.00 N ATOM 633 CA GLU A 37 -11.361 -6.634 -3.010 1.00 0.00 C ATOM 634 C GLU A 37 -11.081 -5.919 -1.692 1.00 0.00 C ATOM 635 O GLU A 37 -11.413 -4.744 -1.530 1.00 0.00 O ATOM 636 CB GLU A 37 -12.430 -7.707 -2.799 1.00 0.00 C ATOM 637 CG GLU A 37 -12.817 -8.439 -4.073 1.00 0.00 C ATOM 638 CD GLU A 37 -14.154 -7.983 -4.624 1.00 0.00 C ATOM 639 OE1 GLU A 37 -14.324 -6.765 -4.837 1.00 0.00 O ATOM 640 OE2 GLU A 37 -15.030 -8.845 -4.843 1.00 0.00 O ATOM 0 H GLU A 37 -10.211 -8.241 -3.718 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.721 -5.894 -3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.067 -8.431 -2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.319 -7.243 -2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.045 -8.282 -4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.856 -9.510 -3.875 1.00 0.00 H new ATOM 647 N GLN A 38 -10.453 -6.626 -0.760 1.00 0.00 N ATOM 648 CA GLN A 38 -10.135 -6.050 0.541 1.00 0.00 C ATOM 649 C GLN A 38 -9.091 -4.951 0.399 1.00 0.00 C ATOM 650 O GLN A 38 -9.283 -3.826 0.869 1.00 0.00 O ATOM 651 CB GLN A 38 -9.626 -7.135 1.491 1.00 0.00 C ATOM 652 CG GLN A 38 -9.210 -6.606 2.853 1.00 0.00 C ATOM 653 CD GLN A 38 -9.834 -7.381 3.996 1.00 0.00 C ATOM 654 OE1 GLN A 38 -9.853 -8.611 3.988 1.00 0.00 O ATOM 655 NE2 GLN A 38 -10.349 -6.662 4.986 1.00 0.00 N ATOM 0 H GLN A 38 -10.155 -7.594 -0.880 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.045 -5.615 0.955 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.406 -7.884 1.625 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.776 -7.639 1.031 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.124 -6.650 2.939 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.494 -5.557 2.933 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.311 -5.643 4.950 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.783 -7.128 5.783 1.00 0.00 H new ATOM 664 N ILE A 39 -7.994 -5.277 -0.274 1.00 0.00 N ATOM 665 CA ILE A 39 -6.924 -4.318 -0.484 1.00 0.00 C ATOM 666 C ILE A 39 -7.440 -3.086 -1.225 1.00 0.00 C ATOM 667 O ILE A 39 -7.237 -1.970 -0.779 1.00 0.00 O ATOM 668 CB ILE A 39 -5.732 -4.948 -1.254 1.00 0.00 C ATOM 669 CG1 ILE A 39 -5.032 -5.994 -0.352 1.00 0.00 C ATOM 670 CG2 ILE A 39 -4.759 -3.868 -1.743 1.00 0.00 C ATOM 671 CD1 ILE A 39 -3.515 -6.015 -0.431 1.00 0.00 C ATOM 0 H ILE A 39 -7.825 -6.197 -0.682 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.563 -4.013 0.498 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.105 -5.456 -2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.322 -5.808 0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.406 -6.983 -0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.934 -4.337 -2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.282 -3.182 -2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.369 -3.316 -0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.126 -6.782 0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.207 -6.235 -1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.122 -5.042 -0.135 1.00 0.00 H new ATOM 683 N GLU A 40 -8.140 -3.288 -2.331 1.00 0.00 N ATOM 684 CA GLU A 40 -8.615 -2.162 -3.128 1.00 0.00 C ATOM 685 C GLU A 40 -9.382 -1.150 -2.278 1.00 0.00 C ATOM 686 O GLU A 40 -9.080 0.042 -2.308 1.00 0.00 O ATOM 687 CB GLU A 40 -9.502 -2.649 -4.271 1.00 0.00 C ATOM 688 CG GLU A 40 -8.721 -3.188 -5.458 1.00 0.00 C ATOM 689 CD GLU A 40 -9.112 -2.521 -6.763 1.00 0.00 C ATOM 690 OE1 GLU A 40 -10.097 -2.969 -7.387 1.00 0.00 O ATOM 691 OE2 GLU A 40 -8.433 -1.552 -7.159 1.00 0.00 O ATOM 0 H GLU A 40 -8.390 -4.207 -2.695 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.736 -1.665 -3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.165 -3.429 -3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.134 -1.826 -4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.655 -3.041 -5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.886 -4.262 -5.539 1.00 0.00 H new ATOM 698 N LEU A 41 -10.371 -1.621 -1.526 1.00 0.00 N ATOM 699 CA LEU A 41 -11.174 -0.727 -0.694 1.00 0.00 C ATOM 700 C LEU A 41 -10.288 0.131 0.208 1.00 0.00 C ATOM 701 O LEU A 41 -10.358 1.364 0.181 1.00 0.00 O ATOM 702 CB LEU A 41 -12.156 -1.539 0.156 1.00 0.00 C ATOM 703 CG LEU A 41 -13.076 -0.716 1.060 1.00 0.00 C ATOM 704 CD1 LEU A 41 -12.334 -0.260 2.306 1.00 0.00 C ATOM 705 CD2 LEU A 41 -13.639 0.476 0.301 1.00 0.00 C ATOM 0 H LEU A 41 -10.635 -2.605 -1.474 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.733 -0.063 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.773 -2.143 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.587 -2.230 0.778 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.908 -1.347 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.005 0.324 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.983 -1.131 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.481 0.355 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.291 1.051 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.820 1.109 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.209 0.124 -0.558 1.00 0.00 H new ATOM 717 N GLN A 42 -9.416 -0.520 0.969 1.00 0.00 N ATOM 718 CA GLN A 42 -8.515 0.197 1.863 1.00 0.00 C ATOM 719 C GLN A 42 -7.460 0.955 1.069 1.00 0.00 C ATOM 720 O GLN A 42 -7.284 2.159 1.244 1.00 0.00 O ATOM 721 CB GLN A 42 -7.841 -0.778 2.831 1.00 0.00 C ATOM 722 CG GLN A 42 -8.047 -0.421 4.295 1.00 0.00 C ATOM 723 CD GLN A 42 -6.741 -0.182 5.027 1.00 0.00 C ATOM 724 OE1 GLN A 42 -5.930 -1.094 5.187 1.00 0.00 O ATOM 725 NE2 GLN A 42 -6.531 1.050 5.476 1.00 0.00 N ATOM 0 H GLN A 42 -9.314 -1.535 0.985 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.102 0.916 2.435 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.228 -1.781 2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.772 -0.807 2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.666 0.473 4.363 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.593 -1.225 4.788 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.231 1.776 5.321 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.670 1.271 5.976 1.00 0.00 H new ATOM 734 N LEU A 43 -6.803 0.240 0.164 1.00 0.00 N ATOM 735 CA LEU A 43 -5.741 0.797 -0.665 1.00 0.00 C ATOM 736 C LEU A 43 -6.192 2.057 -1.389 1.00 0.00 C ATOM 737 O LEU A 43 -5.533 3.096 -1.307 1.00 0.00 O ATOM 738 CB LEU A 43 -5.294 -0.248 -1.694 1.00 0.00 C ATOM 739 CG LEU A 43 -3.912 -0.014 -2.300 1.00 0.00 C ATOM 740 CD1 LEU A 43 -3.842 1.354 -2.964 1.00 0.00 C ATOM 741 CD2 LEU A 43 -2.846 -0.149 -1.225 1.00 0.00 C ATOM 0 H LEU A 43 -6.992 -0.746 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.911 1.064 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.304 -1.229 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.027 -0.277 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.731 -0.768 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.849 1.501 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.589 1.413 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.038 2.129 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.863 0.019 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.024 0.588 -0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.886 -1.151 -0.797 1.00 0.00 H new ATOM 753 N ILE A 44 -7.312 1.972 -2.095 1.00 0.00 N ATOM 754 CA ILE A 44 -7.817 3.123 -2.824 1.00 0.00 C ATOM 755 C ILE A 44 -8.000 4.302 -1.877 1.00 0.00 C ATOM 756 O ILE A 44 -7.508 5.397 -2.135 1.00 0.00 O ATOM 757 CB ILE A 44 -9.140 2.819 -3.565 1.00 0.00 C ATOM 758 CG1 ILE A 44 -9.420 3.900 -4.610 1.00 0.00 C ATOM 759 CG2 ILE A 44 -10.306 2.705 -2.593 1.00 0.00 C ATOM 760 CD1 ILE A 44 -10.453 3.494 -5.639 1.00 0.00 C ATOM 0 H ILE A 44 -7.880 1.129 -2.177 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.077 3.376 -3.583 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.031 1.858 -4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.759 4.804 -4.104 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.490 4.150 -5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.221 2.491 -3.146 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.112 1.899 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.421 3.644 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.601 4.309 -6.348 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.107 2.608 -6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.396 3.272 -5.140 1.00 0.00 H new ATOM 772 N GLN A 45 -8.646 4.053 -0.743 1.00 0.00 N ATOM 773 CA GLN A 45 -8.873 5.099 0.241 1.00 0.00 C ATOM 774 C GLN A 45 -7.565 5.779 0.649 1.00 0.00 C ATOM 775 O GLN A 45 -7.554 6.962 0.990 1.00 0.00 O ATOM 776 CB GLN A 45 -9.563 4.515 1.472 1.00 0.00 C ATOM 777 CG GLN A 45 -10.616 5.431 2.070 1.00 0.00 C ATOM 778 CD GLN A 45 -11.262 4.850 3.312 1.00 0.00 C ATOM 779 OE1 GLN A 45 -12.472 4.628 3.351 1.00 0.00 O ATOM 780 NE2 GLN A 45 -10.455 4.601 4.338 1.00 0.00 N ATOM 0 H GLN A 45 -9.019 3.139 -0.485 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.515 5.853 -0.214 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.029 3.567 1.202 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.811 4.296 2.230 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.159 6.389 2.318 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.386 5.628 1.324 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.458 4.800 4.262 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.833 4.210 5.201 1.00 0.00 H new ATOM 789 N LEU A 46 -6.469 5.024 0.630 1.00 0.00 N ATOM 790 CA LEU A 46 -5.169 5.548 1.054 1.00 0.00 C ATOM 791 C LEU A 46 -4.586 6.565 0.075 1.00 0.00 C ATOM 792 O LEU A 46 -4.187 7.658 0.474 1.00 0.00 O ATOM 793 CB LEU A 46 -4.164 4.402 1.223 1.00 0.00 C ATOM 794 CG LEU A 46 -4.696 3.139 1.914 1.00 0.00 C ATOM 795 CD1 LEU A 46 -3.552 2.320 2.491 1.00 0.00 C ATOM 796 CD2 LEU A 46 -5.702 3.485 3.005 1.00 0.00 C ATOM 0 H LEU A 46 -6.453 4.050 0.327 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.342 6.056 2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.791 4.124 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.312 4.773 1.793 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.209 2.541 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.951 1.429 2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.876 2.024 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.008 2.919 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.059 2.568 3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.223 4.114 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.544 4.020 2.567 1.00 0.00 H new ATOM 808 N ALA A 47 -4.490 6.184 -1.195 1.00 0.00 N ATOM 809 CA ALA A 47 -3.845 7.034 -2.191 1.00 0.00 C ATOM 810 C ALA A 47 -4.642 8.297 -2.495 1.00 0.00 C ATOM 811 O ALA A 47 -4.122 9.407 -2.391 1.00 0.00 O ATOM 812 CB ALA A 47 -3.572 6.244 -3.461 1.00 0.00 C ATOM 0 H ALA A 47 -4.847 5.300 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.897 7.364 -1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.091 6.890 -4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.917 5.403 -3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.512 5.871 -3.867 1.00 0.00 H new ATOM 818 N GLN A 48 -5.902 8.130 -2.858 1.00 0.00 N ATOM 819 CA GLN A 48 -6.757 9.272 -3.181 1.00 0.00 C ATOM 820 C GLN A 48 -7.067 10.103 -1.938 1.00 0.00 C ATOM 821 O GLN A 48 -7.443 11.271 -2.042 1.00 0.00 O ATOM 822 CB GLN A 48 -8.046 8.813 -3.845 1.00 0.00 C ATOM 823 CG GLN A 48 -8.595 7.597 -3.172 1.00 0.00 C ATOM 824 CD GLN A 48 -10.110 7.550 -3.150 1.00 0.00 C ATOM 825 OE1 GLN A 48 -10.778 8.421 -3.708 1.00 0.00 O ATOM 826 NE2 GLN A 48 -10.661 6.530 -2.503 1.00 0.00 N ATOM 0 H GLN A 48 -6.359 7.222 -2.938 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.211 9.903 -3.882 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.783 9.616 -3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.860 8.597 -4.897 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.219 6.709 -3.681 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.223 7.559 -2.148 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.069 5.831 -2.055 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.676 6.446 -2.454 1.00 0.00 H new ATOM 835 N MET A 49 -6.897 9.500 -0.762 1.00 0.00 N ATOM 836 CA MET A 49 -7.154 10.186 0.505 1.00 0.00 C ATOM 837 C MET A 49 -6.621 11.618 0.488 1.00 0.00 C ATOM 838 O MET A 49 -7.382 12.575 0.630 1.00 0.00 O ATOM 839 CB MET A 49 -6.515 9.411 1.659 1.00 0.00 C ATOM 840 CG MET A 49 -7.506 8.988 2.731 1.00 0.00 C ATOM 841 SD MET A 49 -7.466 10.063 4.178 1.00 0.00 S ATOM 842 CE MET A 49 -9.039 10.904 4.020 1.00 0.00 C ATOM 0 H MET A 49 -6.582 8.535 -0.660 1.00 0.00 H new ATOM 0 HA MET A 49 -8.234 10.230 0.645 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.023 8.524 1.261 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.741 10.028 2.115 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.512 8.988 2.311 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.289 7.965 3.037 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.161 11.606 4.845 1.00 0.00 H new ATOM 0 HE2 MET A 49 -9.068 11.447 3.075 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.847 10.172 4.043 1.00 0.00 H new ATOM 852 N GLY A 50 -5.310 11.755 0.316 1.00 0.00 N ATOM 853 CA GLY A 50 -4.700 13.071 0.283 1.00 0.00 C ATOM 854 C GLY A 50 -3.278 13.064 0.813 1.00 0.00 C ATOM 855 O GLY A 50 -2.428 12.325 0.318 1.00 0.00 O ATOM 0 H GLY A 50 -4.660 10.978 0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.701 13.443 -0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.301 13.762 0.874 1.00 0.00 H new ATOM 859 N ARG A 51 -3.021 13.891 1.821 1.00 0.00 N ATOM 860 CA ARG A 51 -1.695 13.979 2.419 1.00 0.00 C ATOM 861 C ARG A 51 -1.720 13.522 3.874 1.00 0.00 C ATOM 862 O ARG A 51 -0.895 13.946 4.683 1.00 0.00 O ATOM 863 CB ARG A 51 -1.167 15.413 2.332 1.00 0.00 C ATOM 864 CG ARG A 51 -0.022 15.581 1.347 1.00 0.00 C ATOM 865 CD ARG A 51 -0.532 15.817 -0.065 1.00 0.00 C ATOM 866 NE ARG A 51 -1.367 17.011 -0.152 1.00 0.00 N ATOM 867 CZ ARG A 51 -1.883 17.467 -1.288 1.00 0.00 C ATOM 868 NH1 ARG A 51 -1.650 16.830 -2.428 1.00 0.00 N ATOM 869 NH2 ARG A 51 -2.632 18.561 -1.287 1.00 0.00 N ATOM 0 H ARG A 51 -3.715 14.510 2.241 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.030 13.319 1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.983 16.075 2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.834 15.729 3.321 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.603 16.419 1.654 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.607 14.691 1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.315 15.916 -0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.104 14.950 -0.394 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.565 17.524 0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.074 15.988 -2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.047 17.182 -3.299 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.813 19.054 -0.413 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.027 18.909 -2.160 1.00 0.00 H new ATOM 883 N VAL A 52 -2.672 12.654 4.199 1.00 0.00 N ATOM 884 CA VAL A 52 -2.804 12.136 5.556 1.00 0.00 C ATOM 885 C VAL A 52 -2.762 10.607 5.585 1.00 0.00 C ATOM 886 O VAL A 52 -2.786 10.003 6.658 1.00 0.00 O ATOM 887 CB VAL A 52 -4.114 12.614 6.212 1.00 0.00 C ATOM 888 CG1 VAL A 52 -5.315 12.175 5.390 1.00 0.00 C ATOM 889 CG2 VAL A 52 -4.216 12.097 7.639 1.00 0.00 C ATOM 0 H VAL A 52 -3.364 12.294 3.541 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.955 12.523 6.119 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.106 13.703 6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.230 12.522 5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.246 12.601 4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.331 11.087 5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.147 12.445 8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.201 11.007 7.633 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.373 12.468 8.222 1.00 0.00 H new ATOM 899 N ARG A 53 -2.696 9.981 4.410 1.00 0.00 N ATOM 900 CA ARG A 53 -2.649 8.526 4.325 1.00 0.00 C ATOM 901 C ARG A 53 -2.111 8.076 2.972 1.00 0.00 C ATOM 902 O ARG A 53 -2.495 8.612 1.932 1.00 0.00 O ATOM 903 CB ARG A 53 -4.042 7.937 4.556 1.00 0.00 C ATOM 904 CG ARG A 53 -4.440 7.877 6.022 1.00 0.00 C ATOM 905 CD ARG A 53 -5.354 6.696 6.304 1.00 0.00 C ATOM 906 NE ARG A 53 -5.315 6.298 7.707 1.00 0.00 N ATOM 907 CZ ARG A 53 -5.847 5.171 8.168 1.00 0.00 C ATOM 908 NH1 ARG A 53 -6.457 4.335 7.339 1.00 0.00 N ATOM 909 NH2 ARG A 53 -5.772 4.879 9.460 1.00 0.00 N ATOM 0 H ARG A 53 -2.674 10.458 3.509 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.975 8.163 5.101 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.775 8.534 4.013 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.077 6.931 4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.545 7.801 6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.943 8.803 6.301 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.376 6.955 6.029 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.060 5.853 5.679 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.854 6.920 8.371 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.519 4.556 6.345 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.865 3.470 7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.305 5.520 10.102 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.181 4.013 9.812 1.00 0.00 H new ATOM 923 N SER A 54 -1.215 7.095 2.992 1.00 0.00 N ATOM 924 CA SER A 54 -0.618 6.578 1.765 1.00 0.00 C ATOM 925 C SER A 54 -0.917 5.088 1.599 1.00 0.00 C ATOM 926 O SER A 54 -1.059 4.366 2.584 1.00 0.00 O ATOM 927 CB SER A 54 0.893 6.821 1.781 1.00 0.00 C ATOM 928 OG SER A 54 1.335 7.153 3.084 1.00 0.00 O ATOM 0 H SER A 54 -0.886 6.642 3.844 1.00 0.00 H new ATOM 0 HA SER A 54 -1.055 7.105 0.917 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.413 5.929 1.432 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.144 7.627 1.091 1.00 0.00 H new ATOM 0 HG SER A 54 1.063 8.070 3.298 1.00 0.00 H new ATOM 934 N LYS A 55 -1.022 4.636 0.347 1.00 0.00 N ATOM 935 CA LYS A 55 -1.342 3.241 0.056 1.00 0.00 C ATOM 936 C LYS A 55 -0.303 2.282 0.631 1.00 0.00 C ATOM 937 O LYS A 55 0.881 2.602 0.728 1.00 0.00 O ATOM 938 CB LYS A 55 -1.512 3.026 -1.449 1.00 0.00 C ATOM 939 CG LYS A 55 -0.224 3.097 -2.236 1.00 0.00 C ATOM 940 CD LYS A 55 -0.408 2.560 -3.640 1.00 0.00 C ATOM 941 CE LYS A 55 -0.026 1.091 -3.733 1.00 0.00 C ATOM 942 NZ LYS A 55 -1.108 0.273 -4.349 1.00 0.00 N ATOM 0 H LYS A 55 -0.890 5.218 -0.480 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.290 3.017 0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.973 2.052 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.202 3.776 -1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.121 4.130 -2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.550 2.525 -1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.447 2.686 -3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.201 3.139 -4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.886 0.990 -4.322 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.195 0.710 -2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.688 -0.526 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.737 -0.088 -3.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.655 0.862 -5.009 1.00 0.00 H new ATOM 956 N ILE A 56 -0.785 1.111 1.039 1.00 0.00 N ATOM 957 CA ILE A 56 0.039 0.094 1.680 1.00 0.00 C ATOM 958 C ILE A 56 1.154 -0.414 0.771 1.00 0.00 C ATOM 959 O ILE A 56 0.980 -0.539 -0.441 1.00 0.00 O ATOM 960 CB ILE A 56 -0.828 -1.107 2.103 1.00 0.00 C ATOM 961 CG1 ILE A 56 -1.995 -0.646 2.978 1.00 0.00 C ATOM 962 CG2 ILE A 56 0.009 -2.136 2.834 1.00 0.00 C ATOM 963 CD1 ILE A 56 -3.323 -1.248 2.575 1.00 0.00 C ATOM 0 H ILE A 56 -1.763 0.841 0.933 1.00 0.00 H new ATOM 0 HA ILE A 56 0.493 0.568 2.550 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.234 -1.570 1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.786 -0.907 4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.068 0.441 2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.621 -2.977 3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.806 -2.489 2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.445 -1.684 3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.106 -0.878 3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.553 -0.966 1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.268 -2.334 2.650 1.00 0.00 H new ATOM 975 N THR A 57 2.309 -0.694 1.377 1.00 0.00 N ATOM 976 CA THR A 57 3.472 -1.191 0.648 1.00 0.00 C ATOM 977 C THR A 57 3.320 -2.668 0.303 1.00 0.00 C ATOM 978 O THR A 57 2.479 -3.366 0.868 1.00 0.00 O ATOM 979 CB THR A 57 4.741 -0.981 1.476 1.00 0.00 C ATOM 980 OG1 THR A 57 4.435 -0.935 2.858 1.00 0.00 O ATOM 981 CG2 THR A 57 5.482 0.290 1.125 1.00 0.00 C ATOM 0 H THR A 57 2.462 -0.583 2.379 1.00 0.00 H new ATOM 0 HA THR A 57 3.548 -0.629 -0.283 1.00 0.00 H new ATOM 0 HB THR A 57 5.383 -1.830 1.242 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.259 -0.802 3.371 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.371 0.377 1.749 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.776 0.262 0.076 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.833 1.149 1.297 1.00 0.00 H new ATOM 989 N ASP A 58 4.144 -3.139 -0.629 1.00 0.00 N ATOM 990 CA ASP A 58 4.108 -4.534 -1.052 1.00 0.00 C ATOM 991 C ASP A 58 4.278 -5.469 0.137 1.00 0.00 C ATOM 992 O ASP A 58 3.787 -6.596 0.125 1.00 0.00 O ATOM 993 CB ASP A 58 5.203 -4.802 -2.086 1.00 0.00 C ATOM 994 CG ASP A 58 6.595 -4.599 -1.520 1.00 0.00 C ATOM 995 OD1 ASP A 58 6.885 -3.480 -1.047 1.00 0.00 O ATOM 996 OD2 ASP A 58 7.394 -5.559 -1.551 1.00 0.00 O ATOM 0 H ASP A 58 4.846 -2.573 -1.106 1.00 0.00 H new ATOM 0 HA ASP A 58 3.134 -4.725 -1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.109 -5.824 -2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.061 -4.141 -2.941 1.00 0.00 H new ATOM 1001 N GLU A 59 4.974 -4.995 1.165 1.00 0.00 N ATOM 1002 CA GLU A 59 5.206 -5.795 2.361 1.00 0.00 C ATOM 1003 C GLU A 59 3.921 -5.950 3.165 1.00 0.00 C ATOM 1004 O GLU A 59 3.489 -7.067 3.459 1.00 0.00 O ATOM 1005 CB GLU A 59 6.288 -5.138 3.222 1.00 0.00 C ATOM 1006 CG GLU A 59 6.434 -5.757 4.606 1.00 0.00 C ATOM 1007 CD GLU A 59 6.281 -4.738 5.719 1.00 0.00 C ATOM 1008 OE1 GLU A 59 5.129 -4.410 6.071 1.00 0.00 O ATOM 1009 OE2 GLU A 59 7.315 -4.266 6.237 1.00 0.00 O ATOM 0 H GLU A 59 5.386 -4.063 1.194 1.00 0.00 H new ATOM 0 HA GLU A 59 5.541 -6.787 2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.243 -5.205 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.058 -4.078 3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.687 -6.541 4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.411 -6.233 4.686 1.00 0.00 H new ATOM 1016 N GLN A 60 3.295 -4.827 3.499 1.00 0.00 N ATOM 1017 CA GLN A 60 2.044 -4.861 4.238 1.00 0.00 C ATOM 1018 C GLN A 60 0.942 -5.393 3.336 1.00 0.00 C ATOM 1019 O GLN A 60 0.053 -6.120 3.781 1.00 0.00 O ATOM 1020 CB GLN A 60 1.693 -3.474 4.773 1.00 0.00 C ATOM 1021 CG GLN A 60 2.325 -3.165 6.121 1.00 0.00 C ATOM 1022 CD GLN A 60 1.549 -2.122 6.902 1.00 0.00 C ATOM 1023 OE1 GLN A 60 0.328 -2.208 7.032 1.00 0.00 O ATOM 1024 NE2 GLN A 60 2.257 -1.127 7.425 1.00 0.00 N ATOM 0 H GLN A 60 3.631 -3.891 3.271 1.00 0.00 H new ATOM 0 HA GLN A 60 2.151 -5.525 5.096 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.013 -2.723 4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.610 -3.391 4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.387 -4.081 6.708 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.346 -2.814 5.968 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.268 -1.096 7.292 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.790 -0.395 7.959 1.00 0.00 H new ATOM 1033 N LEU A 61 1.049 -5.076 2.049 1.00 0.00 N ATOM 1034 CA LEU A 61 0.123 -5.592 1.053 1.00 0.00 C ATOM 1035 C LEU A 61 0.188 -7.111 1.049 1.00 0.00 C ATOM 1036 O LEU A 61 -0.835 -7.792 0.975 1.00 0.00 O ATOM 1037 CB LEU A 61 0.485 -5.057 -0.335 1.00 0.00 C ATOM 1038 CG LEU A 61 0.006 -3.639 -0.638 1.00 0.00 C ATOM 1039 CD1 LEU A 61 0.547 -3.172 -1.982 1.00 0.00 C ATOM 1040 CD2 LEU A 61 -1.511 -3.581 -0.622 1.00 0.00 C ATOM 0 H LEU A 61 1.771 -4.462 1.673 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.887 -5.267 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.569 -5.087 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.069 -5.730 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 61 0.385 -2.970 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.197 -2.160 -2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.637 -3.181 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.196 -3.841 -2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.839 -2.564 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.909 -4.260 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.876 -3.877 0.361 1.00 0.00 H new ATOM 1052 N LYS A 62 1.407 -7.633 1.147 1.00 0.00 N ATOM 1053 CA LYS A 62 1.620 -9.070 1.196 1.00 0.00 C ATOM 1054 C LYS A 62 0.820 -9.671 2.340 1.00 0.00 C ATOM 1055 O LYS A 62 0.099 -10.651 2.161 1.00 0.00 O ATOM 1056 CB LYS A 62 3.105 -9.382 1.371 1.00 0.00 C ATOM 1057 CG LYS A 62 3.619 -10.460 0.432 1.00 0.00 C ATOM 1058 CD LYS A 62 2.897 -11.781 0.650 1.00 0.00 C ATOM 1059 CE LYS A 62 3.319 -12.440 1.954 1.00 0.00 C ATOM 1060 NZ LYS A 62 3.104 -13.913 1.927 1.00 0.00 N ATOM 0 H LYS A 62 2.262 -7.078 1.194 1.00 0.00 H new ATOM 0 HA LYS A 62 1.283 -9.508 0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.680 -8.470 1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.282 -9.695 2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.486 -10.138 -0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.689 -10.599 0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.820 -11.611 0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.106 -12.453 -0.182 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.372 -12.230 2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.755 -12.006 2.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.404 -14.324 2.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.095 -14.114 1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.662 -14.331 1.156 1.00 0.00 H new ATOM 1074 N GLU A 63 0.922 -9.051 3.513 1.00 0.00 N ATOM 1075 CA GLU A 63 0.153 -9.494 4.669 1.00 0.00 C ATOM 1076 C GLU A 63 -1.327 -9.536 4.311 1.00 0.00 C ATOM 1077 O GLU A 63 -2.023 -10.506 4.611 1.00 0.00 O ATOM 1078 CB GLU A 63 0.384 -8.574 5.862 1.00 0.00 C ATOM 1079 CG GLU A 63 1.845 -8.208 6.081 1.00 0.00 C ATOM 1080 CD GLU A 63 2.405 -8.790 7.363 1.00 0.00 C ATOM 1081 OE1 GLU A 63 1.750 -9.681 7.946 1.00 0.00 O ATOM 1082 OE2 GLU A 63 3.497 -8.357 7.785 1.00 0.00 O ATOM 0 H GLU A 63 1.525 -8.247 3.686 1.00 0.00 H new ATOM 0 HA GLU A 63 0.485 -10.494 4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.193 -7.660 5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.001 -9.057 6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.435 -8.563 5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.944 -7.123 6.105 1.00 0.00 H new ATOM 1089 N LEU A 64 -1.788 -8.496 3.620 1.00 0.00 N ATOM 1090 CA LEU A 64 -3.168 -8.441 3.161 1.00 0.00 C ATOM 1091 C LEU A 64 -3.475 -9.654 2.293 1.00 0.00 C ATOM 1092 O LEU A 64 -4.607 -10.135 2.254 1.00 0.00 O ATOM 1093 CB LEU A 64 -3.429 -7.149 2.387 1.00 0.00 C ATOM 1094 CG LEU A 64 -4.232 -6.094 3.158 1.00 0.00 C ATOM 1095 CD1 LEU A 64 -3.872 -4.689 2.692 1.00 0.00 C ATOM 1096 CD2 LEU A 64 -5.726 -6.343 3.006 1.00 0.00 C ATOM 0 H LEU A 64 -1.226 -7.683 3.368 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.826 -8.453 4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.472 -6.716 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.962 -7.393 1.468 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.974 -6.176 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.455 -3.959 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.810 -4.511 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.094 -4.590 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.279 -5.585 3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.998 -6.293 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.972 -7.330 3.398 1.00 0.00 H new ATOM 1108 N LEU A 65 -2.449 -10.161 1.617 1.00 0.00 N ATOM 1109 CA LEU A 65 -2.594 -11.340 0.779 1.00 0.00 C ATOM 1110 C LEU A 65 -2.900 -12.565 1.629 1.00 0.00 C ATOM 1111 O LEU A 65 -3.805 -13.337 1.322 1.00 0.00 O ATOM 1112 CB LEU A 65 -1.314 -11.577 -0.021 1.00 0.00 C ATOM 1113 CG LEU A 65 -1.518 -11.780 -1.518 1.00 0.00 C ATOM 1114 CD1 LEU A 65 -1.274 -10.475 -2.250 1.00 0.00 C ATOM 1115 CD2 LEU A 65 -0.596 -12.871 -2.038 1.00 0.00 C ATOM 0 H LEU A 65 -1.507 -9.771 1.635 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.423 -11.172 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.648 -10.727 0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.808 -12.453 0.384 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.546 -12.095 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.421 -10.625 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.973 -9.720 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.253 -10.141 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.755 -13.002 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.441 -12.588 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.812 -13.806 -1.522 1.00 0.00 H new ATOM 1127 N LYS A 66 -2.135 -12.735 2.701 1.00 0.00 N ATOM 1128 CA LYS A 66 -2.304 -13.877 3.588 1.00 0.00 C ATOM 1129 C LYS A 66 -3.612 -13.790 4.368 1.00 0.00 C ATOM 1130 O LYS A 66 -4.403 -14.734 4.372 1.00 0.00 O ATOM 1131 CB LYS A 66 -1.128 -13.965 4.560 1.00 0.00 C ATOM 1132 CG LYS A 66 -1.264 -15.082 5.581 1.00 0.00 C ATOM 1133 CD LYS A 66 -1.220 -14.547 7.002 1.00 0.00 C ATOM 1134 CE LYS A 66 0.176 -14.076 7.377 1.00 0.00 C ATOM 1135 NZ LYS A 66 0.660 -14.717 8.631 1.00 0.00 N ATOM 0 H LYS A 66 -1.391 -12.094 2.976 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.336 -14.775 2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.209 -14.113 3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.029 -13.015 5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.203 -15.611 5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.462 -15.806 5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.923 -13.720 7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.541 -15.325 7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.866 -14.302 6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.173 -12.993 7.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.615 -14.370 8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.016 -14.481 9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.688 -15.749 8.505 1.00 0.00 H new ATOM 1149 N ARG A 67 -3.840 -12.657 5.024 1.00 0.00 N ATOM 1150 CA ARG A 67 -5.038 -12.488 5.841 1.00 0.00 C ATOM 1151 C ARG A 67 -6.315 -12.615 5.008 1.00 0.00 C ATOM 1152 O ARG A 67 -7.242 -13.328 5.394 1.00 0.00 O ATOM 1153 CB ARG A 67 -5.022 -11.157 6.590 1.00 0.00 C ATOM 1154 CG ARG A 67 -4.589 -9.978 5.753 1.00 0.00 C ATOM 1155 CD ARG A 67 -3.474 -9.212 6.444 1.00 0.00 C ATOM 1156 NE ARG A 67 -3.960 -8.438 7.582 1.00 0.00 N ATOM 1157 CZ ARG A 67 -4.739 -7.366 7.468 1.00 0.00 C ATOM 1158 NH1 ARG A 67 -5.121 -6.944 6.269 1.00 0.00 N ATOM 1159 NH2 ARG A 67 -5.139 -6.715 8.552 1.00 0.00 N ATOM 0 H ARG A 67 -3.218 -11.849 5.007 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.034 -13.293 6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.020 -10.962 6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.354 -11.244 7.447 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.249 -10.324 4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.438 -9.317 5.579 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.710 -9.912 6.783 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.998 -8.542 5.728 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.687 -8.736 8.518 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.817 -7.442 5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.718 -6.122 6.184 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.849 -7.036 9.476 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.736 -5.893 8.462 1.00 0.00 H new ATOM 1173 N VAL A 68 -6.364 -11.929 3.870 1.00 0.00 N ATOM 1174 CA VAL A 68 -7.544 -11.970 3.008 1.00 0.00 C ATOM 1175 C VAL A 68 -7.684 -13.320 2.307 1.00 0.00 C ATOM 1176 O VAL A 68 -8.779 -13.876 2.230 1.00 0.00 O ATOM 1177 CB VAL A 68 -7.520 -10.856 1.945 1.00 0.00 C ATOM 1178 CG1 VAL A 68 -8.853 -10.787 1.217 1.00 0.00 C ATOM 1179 CG2 VAL A 68 -7.183 -9.517 2.581 1.00 0.00 C ATOM 0 H VAL A 68 -5.606 -11.341 3.523 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.401 -11.815 3.664 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.744 -11.091 1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.819 -9.995 0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.049 -11.740 0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.648 -10.577 1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.171 -8.743 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.934 -9.272 3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.202 -9.575 3.053 1.00 0.00 H new ATOM 1189 N ALA A 69 -6.575 -13.839 1.786 1.00 0.00 N ATOM 1190 CA ALA A 69 -6.592 -15.119 1.084 1.00 0.00 C ATOM 1191 C ALA A 69 -7.020 -16.249 2.016 1.00 0.00 C ATOM 1192 O ALA A 69 -6.627 -16.286 3.183 1.00 0.00 O ATOM 1193 CB ALA A 69 -5.228 -15.420 0.484 1.00 0.00 C ATOM 0 H ALA A 69 -5.658 -13.395 1.836 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.320 -15.047 0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.262 -16.378 -0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.960 -14.634 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.483 -15.464 1.278 1.00 0.00 H new ATOM 1199 N GLY A 70 -7.824 -17.168 1.494 1.00 0.00 N ATOM 1200 CA GLY A 70 -8.290 -18.284 2.296 1.00 0.00 C ATOM 1201 C GLY A 70 -8.229 -19.602 1.548 1.00 0.00 C ATOM 1202 O GLY A 70 -7.842 -19.644 0.380 1.00 0.00 O ATOM 0 H GLY A 70 -8.161 -17.161 0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.686 -18.355 3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.316 -18.097 2.612 1.00 0.00 H new ATOM 1206 N LYS A 71 -8.611 -20.681 2.224 1.00 0.00 N ATOM 1207 CA LYS A 71 -8.602 -22.006 1.617 1.00 0.00 C ATOM 1208 C LYS A 71 -10.022 -22.521 1.412 1.00 0.00 C ATOM 1209 O LYS A 71 -10.330 -23.134 0.391 1.00 0.00 O ATOM 1210 CB LYS A 71 -7.814 -22.986 2.491 1.00 0.00 C ATOM 1211 CG LYS A 71 -6.563 -22.382 3.107 1.00 0.00 C ATOM 1212 CD LYS A 71 -5.555 -21.978 2.044 1.00 0.00 C ATOM 1213 CE LYS A 71 -4.734 -23.167 1.573 1.00 0.00 C ATOM 1214 NZ LYS A 71 -5.290 -23.771 0.332 1.00 0.00 N ATOM 0 H LYS A 71 -8.931 -20.663 3.192 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.119 -21.928 0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.462 -23.350 3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.532 -23.850 1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.834 -21.510 3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.107 -23.102 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.077 -21.536 1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.891 -21.212 2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.707 -22.850 1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.702 -23.920 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.517 -24.175 -0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.964 -24.522 0.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.779 -23.039 -0.222 1.00 0.00 H new ATOM 1228 N LYS A 72 -10.886 -22.266 2.391 1.00 0.00 N ATOM 1229 CA LYS A 72 -12.276 -22.703 2.316 1.00 0.00 C ATOM 1230 C LYS A 72 -13.189 -21.546 1.918 1.00 0.00 C ATOM 1231 O LYS A 72 -14.129 -21.241 2.683 1.00 0.00 O ATOM 1232 CB LYS A 72 -12.720 -23.284 3.661 1.00 0.00 C ATOM 1233 CG LYS A 72 -11.664 -24.148 4.329 1.00 0.00 C ATOM 1234 CD LYS A 72 -11.250 -25.311 3.442 1.00 0.00 C ATOM 1235 CE LYS A 72 -11.226 -26.619 4.216 1.00 0.00 C ATOM 1236 NZ LYS A 72 -9.957 -27.370 3.998 1.00 0.00 N ATOM 0 H LYS A 72 -10.648 -21.760 3.244 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.350 -23.477 1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.985 -22.466 4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.622 -23.878 3.511 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.791 -23.540 4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.050 -24.530 5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.942 -25.395 2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.263 -25.117 3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.348 -26.414 5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.071 -27.237 3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.980 -28.256 4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.852 -27.588 2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.152 -26.791 4.312 1.00 0.00 H new TER 1250 LYS A 72