USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 553 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 18:sc= 1.02 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.973 K(o=-0.97,f=-2.5!) USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= -0.396 (180deg=-1.61!) USER MOD Single : A 13 HIS : no HD1:sc= -0.495 K(o=-0.5,f=-1.7) USER MOD Single : A 18 SER OG : rot 37:sc= 0.608 USER MOD Single : A 19 GLN : amide:sc= -2.98! C(o=-3!,f=-4.3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 64:sc= 0.56 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -156:sc= -2.16 (180deg=-4.1!) USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0383) USER MOD Single : A 47 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0108) USER MOD Single : A 49 SER OG : rot 57:sc= 0.797 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.73) USER MOD Single : A 63 SER OG : rot 38:sc= 0.999 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= 1.23 (180deg=1.02) USER MOD Single : A 67 THR OG1 : rot -160:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0157 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.566 -37.079 -3.564 1.00 0.00 N ATOM 2 CA GLY A 1 -10.390 -36.735 -2.787 1.00 0.00 C ATOM 3 C GLY A 1 -10.471 -35.340 -2.200 1.00 0.00 C ATOM 4 O GLY A 1 -11.358 -35.046 -1.399 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.462 -38.042 -3.944 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.409 -37.036 -2.956 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.672 -36.406 -4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.266 -37.458 -1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.506 -36.809 -3.420 1.00 0.00 H new ATOM 8 N SER A 2 -9.541 -34.477 -2.598 1.00 0.00 N ATOM 9 CA SER A 2 -9.507 -33.106 -2.101 1.00 0.00 C ATOM 10 C SER A 2 -9.964 -32.127 -3.178 1.00 0.00 C ATOM 11 O SER A 2 -9.344 -32.018 -4.237 1.00 0.00 O ATOM 12 CB SER A 2 -8.096 -32.746 -1.633 1.00 0.00 C ATOM 13 OG SER A 2 -7.749 -33.462 -0.461 1.00 0.00 O ATOM 0 H SER A 2 -8.801 -34.703 -3.263 1.00 0.00 H new ATOM 0 HA SER A 2 -10.191 -33.034 -1.256 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.380 -32.968 -2.424 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.036 -31.675 -1.440 1.00 0.00 H new ATOM 0 HG SER A 2 -6.842 -33.215 -0.183 1.00 0.00 H new ATOM 19 N SER A 3 -11.052 -31.417 -2.900 1.00 0.00 N ATOM 20 CA SER A 3 -11.595 -30.449 -3.846 1.00 0.00 C ATOM 21 C SER A 3 -12.051 -29.183 -3.127 1.00 0.00 C ATOM 22 O SER A 3 -11.995 -29.098 -1.901 1.00 0.00 O ATOM 23 CB SER A 3 -12.767 -31.060 -4.618 1.00 0.00 C ATOM 24 OG SER A 3 -13.846 -31.362 -3.751 1.00 0.00 O ATOM 0 H SER A 3 -11.575 -31.494 -2.028 1.00 0.00 H new ATOM 0 HA SER A 3 -10.805 -30.183 -4.548 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.100 -30.366 -5.390 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.439 -31.967 -5.125 1.00 0.00 H new ATOM 0 HG SER A 3 -14.583 -31.749 -4.268 1.00 0.00 H new ATOM 30 N GLY A 4 -12.502 -28.200 -3.900 1.00 0.00 N ATOM 31 CA GLY A 4 -12.960 -26.951 -3.320 1.00 0.00 C ATOM 32 C GLY A 4 -13.536 -26.007 -4.357 1.00 0.00 C ATOM 33 O GLY A 4 -12.829 -25.559 -5.260 1.00 0.00 O ATOM 0 H GLY A 4 -12.558 -28.246 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.717 -27.161 -2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.128 -26.463 -2.812 1.00 0.00 H new ATOM 37 N SER A 5 -14.824 -25.705 -4.230 1.00 0.00 N ATOM 38 CA SER A 5 -15.497 -24.813 -5.167 1.00 0.00 C ATOM 39 C SER A 5 -15.629 -23.410 -4.582 1.00 0.00 C ATOM 40 O SER A 5 -15.706 -23.238 -3.365 1.00 0.00 O ATOM 41 CB SER A 5 -16.880 -25.362 -5.524 1.00 0.00 C ATOM 42 OG SER A 5 -16.784 -26.661 -6.081 1.00 0.00 O ATOM 0 H SER A 5 -15.423 -26.065 -3.487 1.00 0.00 H new ATOM 0 HA SER A 5 -14.893 -24.755 -6.072 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.505 -25.391 -4.631 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.368 -24.694 -6.233 1.00 0.00 H new ATOM 0 HG SER A 5 -17.681 -26.991 -6.299 1.00 0.00 H new ATOM 48 N SER A 6 -15.655 -22.410 -5.457 1.00 0.00 N ATOM 49 CA SER A 6 -15.775 -21.022 -5.028 1.00 0.00 C ATOM 50 C SER A 6 -16.261 -20.139 -6.174 1.00 0.00 C ATOM 51 O SER A 6 -16.283 -20.560 -7.330 1.00 0.00 O ATOM 52 CB SER A 6 -14.430 -20.509 -4.510 1.00 0.00 C ATOM 53 OG SER A 6 -14.162 -21.004 -3.209 1.00 0.00 O ATOM 0 H SER A 6 -15.595 -22.535 -6.467 1.00 0.00 H new ATOM 0 HA SER A 6 -16.508 -20.978 -4.222 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.635 -20.814 -5.190 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.435 -19.419 -4.494 1.00 0.00 H new ATOM 0 HG SER A 6 -14.736 -21.778 -3.029 1.00 0.00 H new ATOM 59 N GLY A 7 -16.652 -18.912 -5.843 1.00 0.00 N ATOM 60 CA GLY A 7 -17.133 -17.989 -6.854 1.00 0.00 C ATOM 61 C GLY A 7 -17.794 -16.764 -6.253 1.00 0.00 C ATOM 62 O GLY A 7 -18.166 -16.762 -5.080 1.00 0.00 O ATOM 0 H GLY A 7 -16.644 -18.541 -4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.299 -17.677 -7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.845 -18.502 -7.501 1.00 0.00 H new ATOM 66 N LYS A 8 -17.938 -15.717 -7.058 1.00 0.00 N ATOM 67 CA LYS A 8 -18.558 -14.479 -6.601 1.00 0.00 C ATOM 68 C LYS A 8 -20.061 -14.658 -6.417 1.00 0.00 C ATOM 69 O LYS A 8 -20.776 -14.990 -7.363 1.00 0.00 O ATOM 70 CB LYS A 8 -18.286 -13.350 -7.597 1.00 0.00 C ATOM 71 CG LYS A 8 -16.981 -12.615 -7.343 1.00 0.00 C ATOM 72 CD LYS A 8 -15.783 -13.436 -7.791 1.00 0.00 C ATOM 73 CE LYS A 8 -14.510 -12.993 -7.087 1.00 0.00 C ATOM 74 NZ LYS A 8 -13.527 -14.105 -6.967 1.00 0.00 N ATOM 0 H LYS A 8 -17.633 -15.701 -8.031 1.00 0.00 H new ATOM 0 HA LYS A 8 -18.121 -14.218 -5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -18.270 -13.763 -8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -19.109 -12.636 -7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.989 -11.663 -7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.891 -12.388 -6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.966 -14.491 -7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.657 -13.339 -8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.059 -12.167 -7.638 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.756 -12.617 -6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.673 -13.763 -6.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.948 -14.883 -6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.272 -14.447 -7.916 1.00 0.00 H new ATOM 88 N ARG A 9 -20.534 -14.436 -5.195 1.00 0.00 N ATOM 89 CA ARG A 9 -21.953 -14.573 -4.888 1.00 0.00 C ATOM 90 C ARG A 9 -22.771 -13.509 -5.613 1.00 0.00 C ATOM 91 O ARG A 9 -23.648 -13.827 -6.416 1.00 0.00 O ATOM 92 CB ARG A 9 -22.183 -14.469 -3.379 1.00 0.00 C ATOM 93 CG ARG A 9 -21.644 -15.656 -2.598 1.00 0.00 C ATOM 94 CD ARG A 9 -20.195 -15.442 -2.189 1.00 0.00 C ATOM 95 NE ARG A 9 -19.856 -16.175 -0.972 1.00 0.00 N ATOM 96 CZ ARG A 9 -18.870 -15.825 -0.154 1.00 0.00 C ATOM 97 NH1 ARG A 9 -18.129 -14.758 -0.422 1.00 0.00 N ATOM 98 NH2 ARG A 9 -18.623 -16.543 0.935 1.00 0.00 N ATOM 0 H ARG A 9 -19.955 -14.161 -4.401 1.00 0.00 H new ATOM 0 HA ARG A 9 -22.280 -15.554 -5.231 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -21.712 -13.558 -3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -23.252 -14.375 -3.189 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -22.254 -15.816 -1.709 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -21.723 -16.558 -3.205 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -19.539 -15.761 -2.999 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -20.016 -14.378 -2.033 1.00 0.00 H new ATOM 0 HE ARG A 9 -20.407 -17.001 -0.738 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -18.316 -14.204 -1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.372 -14.491 0.208 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -19.191 -17.364 1.144 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.866 -16.273 1.563 1.00 0.00 H new ATOM 112 N GLN A 10 -22.478 -12.245 -5.324 1.00 0.00 N ATOM 113 CA GLN A 10 -23.187 -11.134 -5.947 1.00 0.00 C ATOM 114 C GLN A 10 -22.218 -10.033 -6.362 1.00 0.00 C ATOM 115 O GLN A 10 -21.027 -10.090 -6.052 1.00 0.00 O ATOM 116 CB GLN A 10 -24.238 -10.571 -4.989 1.00 0.00 C ATOM 117 CG GLN A 10 -25.472 -11.449 -4.854 1.00 0.00 C ATOM 118 CD GLN A 10 -26.054 -11.847 -6.196 1.00 0.00 C ATOM 119 OE1 GLN A 10 -25.836 -11.176 -7.204 1.00 0.00 O ATOM 120 NE2 GLN A 10 -26.800 -12.946 -6.215 1.00 0.00 N ATOM 0 H GLN A 10 -21.754 -11.965 -4.662 1.00 0.00 H new ATOM 0 HA GLN A 10 -23.685 -11.510 -6.841 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -23.787 -10.439 -4.005 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -24.541 -9.583 -5.336 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -25.215 -12.347 -4.293 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -26.229 -10.919 -4.277 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -26.955 -13.472 -5.355 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -27.218 -13.264 -7.090 1.00 0.00 H new ATOM 129 N LYS A 11 -22.734 -9.031 -7.065 1.00 0.00 N ATOM 130 CA LYS A 11 -21.915 -7.914 -7.522 1.00 0.00 C ATOM 131 C LYS A 11 -21.854 -6.815 -6.466 1.00 0.00 C ATOM 132 O LYS A 11 -22.815 -6.068 -6.279 1.00 0.00 O ATOM 133 CB LYS A 11 -22.472 -7.349 -8.831 1.00 0.00 C ATOM 134 CG LYS A 11 -21.598 -6.271 -9.448 1.00 0.00 C ATOM 135 CD LYS A 11 -20.308 -6.849 -10.004 1.00 0.00 C ATOM 136 CE LYS A 11 -20.469 -7.277 -11.455 1.00 0.00 C ATOM 137 NZ LYS A 11 -21.166 -8.588 -11.572 1.00 0.00 N ATOM 0 H LYS A 11 -23.717 -8.969 -7.331 1.00 0.00 H new ATOM 0 HA LYS A 11 -20.904 -8.284 -7.694 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -22.591 -8.162 -9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -23.465 -6.939 -8.647 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -22.146 -5.769 -10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -21.365 -5.516 -8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -19.513 -6.107 -9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -20.003 -7.705 -9.403 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -21.031 -6.517 -11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.488 -7.344 -11.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -20.834 -9.083 -12.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -20.959 -9.167 -10.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -22.192 -8.431 -11.640 1.00 0.00 H new ATOM 151 N ILE A 12 -20.720 -6.722 -5.780 1.00 0.00 N ATOM 152 CA ILE A 12 -20.534 -5.712 -4.746 1.00 0.00 C ATOM 153 C ILE A 12 -19.341 -4.816 -5.060 1.00 0.00 C ATOM 154 O ILE A 12 -18.467 -5.181 -5.847 1.00 0.00 O ATOM 155 CB ILE A 12 -20.329 -6.356 -3.362 1.00 0.00 C ATOM 156 CG1 ILE A 12 -19.075 -7.233 -3.364 1.00 0.00 C ATOM 157 CG2 ILE A 12 -21.552 -7.171 -2.970 1.00 0.00 C ATOM 158 CD1 ILE A 12 -18.454 -7.402 -1.995 1.00 0.00 C ATOM 0 H ILE A 12 -19.916 -7.334 -5.922 1.00 0.00 H new ATOM 0 HA ILE A 12 -21.442 -5.109 -4.727 1.00 0.00 H new ATOM 0 HB ILE A 12 -20.194 -5.564 -2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -19.329 -8.215 -3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -18.337 -6.797 -4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -21.391 -7.620 -1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -22.426 -6.521 -2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -21.716 -7.958 -3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -17.570 -8.035 -2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -18.169 -6.426 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -19.175 -7.867 -1.323 1.00 0.00 H new ATOM 170 N HIS A 13 -19.310 -3.642 -4.437 1.00 0.00 N ATOM 171 CA HIS A 13 -18.222 -2.694 -4.648 1.00 0.00 C ATOM 172 C HIS A 13 -18.086 -1.749 -3.458 1.00 0.00 C ATOM 173 O HIS A 13 -19.059 -1.478 -2.753 1.00 0.00 O ATOM 174 CB HIS A 13 -18.458 -1.891 -5.928 1.00 0.00 C ATOM 175 CG HIS A 13 -19.670 -1.013 -5.869 1.00 0.00 C ATOM 176 ND1 HIS A 13 -20.874 -1.427 -5.340 1.00 0.00 N ATOM 177 CD2 HIS A 13 -19.858 0.264 -6.276 1.00 0.00 C ATOM 178 CE1 HIS A 13 -21.751 -0.443 -5.425 1.00 0.00 C ATOM 179 NE2 HIS A 13 -21.160 0.595 -5.989 1.00 0.00 N ATOM 0 H HIS A 13 -20.025 -3.325 -3.783 1.00 0.00 H new ATOM 0 HA HIS A 13 -17.295 -3.259 -4.748 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -17.582 -1.274 -6.127 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -18.559 -2.580 -6.766 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -19.122 0.904 -6.740 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -22.777 -0.481 -5.090 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -21.599 1.496 -6.180 1.00 0.00 H new ATOM 187 N LEU A 14 -16.874 -1.251 -3.239 1.00 0.00 N ATOM 188 CA LEU A 14 -16.611 -0.336 -2.134 1.00 0.00 C ATOM 189 C LEU A 14 -17.566 0.852 -2.171 1.00 0.00 C ATOM 190 O LEU A 14 -18.159 1.153 -3.206 1.00 0.00 O ATOM 191 CB LEU A 14 -15.164 0.156 -2.187 1.00 0.00 C ATOM 192 CG LEU A 14 -14.086 -0.900 -1.940 1.00 0.00 C ATOM 193 CD1 LEU A 14 -13.688 -1.572 -3.244 1.00 0.00 C ATOM 194 CD2 LEU A 14 -12.872 -0.275 -1.267 1.00 0.00 C ATOM 0 H LEU A 14 -16.058 -1.465 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.770 -0.877 -1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.989 0.603 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.044 0.949 -1.449 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.495 -1.660 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.920 -2.320 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.560 -2.054 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.298 -0.824 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.115 -1.041 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.462 0.506 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.168 0.158 -0.312 1.00 0.00 H new ATOM 206 N GLY A 15 -17.709 1.526 -1.033 1.00 0.00 N ATOM 207 CA GLY A 15 -18.592 2.675 -0.958 1.00 0.00 C ATOM 208 C GLY A 15 -17.938 3.943 -1.471 1.00 0.00 C ATOM 209 O GLY A 15 -18.472 4.609 -2.359 1.00 0.00 O ATOM 0 H GLY A 15 -17.229 1.297 -0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.494 2.475 -1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.904 2.823 0.076 1.00 0.00 H new ATOM 213 N ASP A 16 -16.782 4.279 -0.911 1.00 0.00 N ATOM 214 CA ASP A 16 -16.054 5.476 -1.317 1.00 0.00 C ATOM 215 C ASP A 16 -15.166 5.189 -2.524 1.00 0.00 C ATOM 216 O ASP A 16 -15.161 4.078 -3.053 1.00 0.00 O ATOM 217 CB ASP A 16 -15.207 6.002 -0.158 1.00 0.00 C ATOM 218 CG ASP A 16 -16.032 6.756 0.867 1.00 0.00 C ATOM 219 OD1 ASP A 16 -17.062 6.212 1.317 1.00 0.00 O ATOM 220 OD2 ASP A 16 -15.646 7.890 1.219 1.00 0.00 O ATOM 0 H ASP A 16 -16.328 3.739 -0.174 1.00 0.00 H new ATOM 0 HA ASP A 16 -16.783 6.236 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -14.704 5.167 0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -14.430 6.659 -0.549 1.00 0.00 H new ATOM 225 N ARG A 17 -14.417 6.199 -2.954 1.00 0.00 N ATOM 226 CA ARG A 17 -13.526 6.056 -4.099 1.00 0.00 C ATOM 227 C ARG A 17 -12.727 4.760 -4.008 1.00 0.00 C ATOM 228 O ARG A 17 -12.656 4.136 -2.949 1.00 0.00 O ATOM 229 CB ARG A 17 -12.574 7.250 -4.185 1.00 0.00 C ATOM 230 CG ARG A 17 -13.187 8.472 -4.850 1.00 0.00 C ATOM 231 CD ARG A 17 -13.782 9.425 -3.826 1.00 0.00 C ATOM 232 NE ARG A 17 -14.722 10.364 -4.433 1.00 0.00 N ATOM 233 CZ ARG A 17 -16.015 10.108 -4.594 1.00 0.00 C ATOM 234 NH1 ARG A 17 -16.519 8.948 -4.195 1.00 0.00 N ATOM 235 NH2 ARG A 17 -16.807 11.013 -5.155 1.00 0.00 N ATOM 0 H ARG A 17 -14.409 7.125 -2.527 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.138 6.023 -5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.250 7.518 -3.180 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.683 6.954 -4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.425 8.991 -5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.962 8.157 -5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.291 8.852 -3.051 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.980 9.979 -3.338 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.366 11.265 -4.750 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.913 8.250 -3.763 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.513 8.754 -4.320 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.423 11.906 -5.463 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.800 10.815 -5.278 1.00 0.00 H new ATOM 249 N SER A 18 -12.127 4.360 -5.124 1.00 0.00 N ATOM 250 CA SER A 18 -11.336 3.136 -5.172 1.00 0.00 C ATOM 251 C SER A 18 -10.652 2.983 -6.527 1.00 0.00 C ATOM 252 O SER A 18 -11.315 2.844 -7.555 1.00 0.00 O ATOM 253 CB SER A 18 -12.222 1.920 -4.894 1.00 0.00 C ATOM 254 OG SER A 18 -13.252 1.808 -5.860 1.00 0.00 O ATOM 0 H SER A 18 -12.174 4.866 -6.008 1.00 0.00 H new ATOM 0 HA SER A 18 -10.567 3.200 -4.402 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.615 1.015 -4.899 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.660 2.005 -3.899 1.00 0.00 H new ATOM 0 HG SER A 18 -12.908 2.077 -6.737 1.00 0.00 H new ATOM 260 N GLN A 19 -9.323 3.009 -6.519 1.00 0.00 N ATOM 261 CA GLN A 19 -8.550 2.874 -7.748 1.00 0.00 C ATOM 262 C GLN A 19 -7.600 1.683 -7.665 1.00 0.00 C ATOM 263 O GLN A 19 -7.223 1.251 -6.575 1.00 0.00 O ATOM 264 CB GLN A 19 -7.759 4.154 -8.021 1.00 0.00 C ATOM 265 CG GLN A 19 -7.159 4.212 -9.417 1.00 0.00 C ATOM 266 CD GLN A 19 -6.736 5.614 -9.812 1.00 0.00 C ATOM 267 OE1 GLN A 19 -6.556 6.484 -8.959 1.00 0.00 O ATOM 268 NE2 GLN A 19 -6.575 5.840 -11.110 1.00 0.00 N ATOM 0 H GLN A 19 -8.760 3.122 -5.676 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.247 2.704 -8.569 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.415 5.013 -7.880 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.958 4.240 -7.286 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.295 3.549 -9.465 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.887 3.840 -10.137 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.735 5.090 -11.782 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.291 6.764 -11.435 1.00 0.00 H new ATOM 277 N LYS A 20 -7.218 1.156 -8.823 1.00 0.00 N ATOM 278 CA LYS A 20 -6.312 0.015 -8.883 1.00 0.00 C ATOM 279 C LYS A 20 -4.926 0.445 -9.354 1.00 0.00 C ATOM 280 O LYS A 20 -4.742 0.820 -10.513 1.00 0.00 O ATOM 281 CB LYS A 20 -6.870 -1.058 -9.820 1.00 0.00 C ATOM 282 CG LYS A 20 -6.193 -2.409 -9.669 1.00 0.00 C ATOM 283 CD LYS A 20 -7.037 -3.525 -10.262 1.00 0.00 C ATOM 284 CE LYS A 20 -6.219 -4.789 -10.476 1.00 0.00 C ATOM 285 NZ LYS A 20 -6.909 -5.749 -11.382 1.00 0.00 N ATOM 0 H LYS A 20 -7.522 1.501 -9.733 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.223 -0.399 -7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.938 -1.173 -9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.762 -0.720 -10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.220 -2.387 -10.161 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.012 -2.610 -8.613 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.875 -3.741 -9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.459 -3.198 -11.212 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.248 -4.527 -10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.031 -5.267 -9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.320 -6.597 -11.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.824 -6.019 -10.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.065 -5.302 -12.308 1.00 0.00 H new ATOM 299 N CYS A 21 -3.954 0.388 -8.450 1.00 0.00 N ATOM 300 CA CYS A 21 -2.585 0.770 -8.773 1.00 0.00 C ATOM 301 C CYS A 21 -2.154 0.172 -10.108 1.00 0.00 C ATOM 302 O CYS A 21 -2.728 -0.813 -10.573 1.00 0.00 O ATOM 303 CB CYS A 21 -1.632 0.316 -7.666 1.00 0.00 C ATOM 304 SG CYS A 21 0.055 0.989 -7.814 1.00 0.00 S ATOM 0 H CYS A 21 -4.089 0.081 -7.487 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.547 1.856 -8.853 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.046 0.611 -6.702 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.579 -0.773 -7.671 1.00 0.00 H new ATOM 309 N SER A 22 -1.138 0.773 -10.720 1.00 0.00 N ATOM 310 CA SER A 22 -0.632 0.302 -12.004 1.00 0.00 C ATOM 311 C SER A 22 0.710 -0.403 -11.833 1.00 0.00 C ATOM 312 O SER A 22 1.130 -1.182 -12.689 1.00 0.00 O ATOM 313 CB SER A 22 -0.485 1.472 -12.979 1.00 0.00 C ATOM 314 OG SER A 22 0.264 2.527 -12.401 1.00 0.00 O ATOM 0 H SER A 22 -0.649 1.587 -10.347 1.00 0.00 H new ATOM 0 HA SER A 22 -1.349 -0.412 -12.409 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.006 1.130 -13.890 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.471 1.837 -13.266 1.00 0.00 H new ATOM 0 HG SER A 22 0.345 3.262 -13.045 1.00 0.00 H new ATOM 320 N LYS A 23 1.380 -0.124 -10.720 1.00 0.00 N ATOM 321 CA LYS A 23 2.674 -0.731 -10.432 1.00 0.00 C ATOM 322 C LYS A 23 2.502 -2.130 -9.850 1.00 0.00 C ATOM 323 O LYS A 23 2.889 -3.123 -10.467 1.00 0.00 O ATOM 324 CB LYS A 23 3.467 0.144 -9.459 1.00 0.00 C ATOM 325 CG LYS A 23 4.745 -0.506 -8.958 1.00 0.00 C ATOM 326 CD LYS A 23 5.772 0.533 -8.540 1.00 0.00 C ATOM 327 CE LYS A 23 7.086 -0.115 -8.132 1.00 0.00 C ATOM 328 NZ LYS A 23 8.153 0.896 -7.894 1.00 0.00 N ATOM 0 H LYS A 23 1.048 0.520 -10.002 1.00 0.00 H new ATOM 0 HA LYS A 23 3.225 -0.812 -11.369 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.716 1.085 -9.950 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.835 0.388 -8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.517 -1.154 -8.112 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.164 -1.138 -9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.947 1.225 -9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.381 1.119 -7.709 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.935 -0.703 -7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.408 -0.806 -8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.032 0.414 -7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.315 1.441 -8.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.857 1.540 -7.133 1.00 0.00 H new ATOM 342 N CYS A 24 1.918 -2.202 -8.658 1.00 0.00 N ATOM 343 CA CYS A 24 1.693 -3.479 -7.992 1.00 0.00 C ATOM 344 C CYS A 24 0.347 -4.074 -8.397 1.00 0.00 C ATOM 345 O CYS A 24 0.254 -5.255 -8.730 1.00 0.00 O ATOM 346 CB CYS A 24 1.749 -3.303 -6.474 1.00 0.00 C ATOM 347 SG CYS A 24 0.430 -2.243 -5.799 1.00 0.00 S ATOM 0 H CYS A 24 1.592 -1.390 -8.134 1.00 0.00 H new ATOM 0 HA CYS A 24 2.482 -4.165 -8.301 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.689 -4.284 -6.003 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.716 -2.878 -6.204 1.00 0.00 H new ATOM 352 N GLY A 25 -0.693 -3.247 -8.367 1.00 0.00 N ATOM 353 CA GLY A 25 -2.019 -3.709 -8.733 1.00 0.00 C ATOM 354 C GLY A 25 -2.897 -3.968 -7.524 1.00 0.00 C ATOM 355 O GLY A 25 -3.455 -5.055 -7.376 1.00 0.00 O ATOM 0 H GLY A 25 -0.641 -2.265 -8.096 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.496 -2.966 -9.372 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.933 -4.624 -9.318 1.00 0.00 H new ATOM 359 N ILE A 26 -3.018 -2.968 -6.658 1.00 0.00 N ATOM 360 CA ILE A 26 -3.833 -3.093 -5.456 1.00 0.00 C ATOM 361 C ILE A 26 -4.916 -2.020 -5.411 1.00 0.00 C ATOM 362 O ILE A 26 -4.804 -0.984 -6.067 1.00 0.00 O ATOM 363 CB ILE A 26 -2.975 -2.995 -4.181 1.00 0.00 C ATOM 364 CG1 ILE A 26 -3.785 -3.438 -2.960 1.00 0.00 C ATOM 365 CG2 ILE A 26 -2.462 -1.575 -3.996 1.00 0.00 C ATOM 366 CD1 ILE A 26 -2.998 -3.403 -1.669 1.00 0.00 C ATOM 0 H ILE A 26 -2.562 -2.062 -6.766 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.301 -4.076 -5.494 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.117 -3.660 -4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.659 -2.795 -2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.152 -4.451 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.857 -1.522 -3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.854 -1.293 -4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.307 -0.891 -3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.634 -3.729 -0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.138 -4.068 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.654 -2.386 -1.480 1.00 0.00 H new ATOM 378 N ILE A 27 -5.961 -2.275 -4.632 1.00 0.00 N ATOM 379 CA ILE A 27 -7.062 -1.329 -4.500 1.00 0.00 C ATOM 380 C ILE A 27 -6.782 -0.309 -3.401 1.00 0.00 C ATOM 381 O ILE A 27 -6.503 -0.673 -2.258 1.00 0.00 O ATOM 382 CB ILE A 27 -8.389 -2.048 -4.191 1.00 0.00 C ATOM 383 CG1 ILE A 27 -8.706 -3.070 -5.285 1.00 0.00 C ATOM 384 CG2 ILE A 27 -9.520 -1.039 -4.056 1.00 0.00 C ATOM 385 CD1 ILE A 27 -8.896 -2.452 -6.652 1.00 0.00 C ATOM 0 H ILE A 27 -6.069 -3.128 -4.083 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.151 -0.814 -5.457 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.287 -2.577 -3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.898 -3.800 -5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.610 -3.614 -5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.451 -1.563 -3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.295 -0.346 -3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.626 -0.484 -4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.118 -3.235 -7.378 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.723 -1.743 -6.619 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.984 -1.932 -6.946 1.00 0.00 H new ATOM 397 N PHE A 28 -6.861 0.970 -3.753 1.00 0.00 N ATOM 398 CA PHE A 28 -6.616 2.043 -2.796 1.00 0.00 C ATOM 399 C PHE A 28 -7.482 3.259 -3.111 1.00 0.00 C ATOM 400 O PHE A 28 -7.774 3.543 -4.273 1.00 0.00 O ATOM 401 CB PHE A 28 -5.138 2.438 -2.808 1.00 0.00 C ATOM 402 CG PHE A 28 -4.715 3.139 -4.067 1.00 0.00 C ATOM 403 CD1 PHE A 28 -4.865 4.511 -4.195 1.00 0.00 C ATOM 404 CD2 PHE A 28 -4.167 2.427 -5.122 1.00 0.00 C ATOM 405 CE1 PHE A 28 -4.477 5.158 -5.353 1.00 0.00 C ATOM 406 CE2 PHE A 28 -3.777 3.070 -6.282 1.00 0.00 C ATOM 407 CZ PHE A 28 -3.931 4.437 -6.397 1.00 0.00 C ATOM 0 H PHE A 28 -7.093 1.289 -4.694 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.879 1.679 -1.803 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.937 3.087 -1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.530 1.543 -2.678 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.289 5.080 -3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.043 1.357 -5.037 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.601 6.227 -5.442 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.352 2.503 -7.097 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.625 4.942 -7.301 1.00 0.00 H new ATOM 417 N ILE A 29 -7.890 3.973 -2.067 1.00 0.00 N ATOM 418 CA ILE A 29 -8.722 5.159 -2.231 1.00 0.00 C ATOM 419 C ILE A 29 -7.897 6.345 -2.718 1.00 0.00 C ATOM 420 O ILE A 29 -6.816 6.619 -2.197 1.00 0.00 O ATOM 421 CB ILE A 29 -9.423 5.541 -0.914 1.00 0.00 C ATOM 422 CG1 ILE A 29 -10.474 4.491 -0.547 1.00 0.00 C ATOM 423 CG2 ILE A 29 -10.060 6.917 -1.034 1.00 0.00 C ATOM 424 CD1 ILE A 29 -9.882 3.156 -0.153 1.00 0.00 C ATOM 0 H ILE A 29 -7.658 3.751 -1.099 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.478 4.914 -2.977 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.678 5.575 -0.119 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.080 4.868 0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.143 4.347 -1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.552 7.173 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.290 7.656 -1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.795 6.909 -1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.684 2.461 0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.299 2.757 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.235 3.287 0.715 1.00 0.00 H new ATOM 436 N ARG A 30 -8.416 7.048 -3.720 1.00 0.00 N ATOM 437 CA ARG A 30 -7.729 8.206 -4.278 1.00 0.00 C ATOM 438 C ARG A 30 -8.591 9.460 -4.158 1.00 0.00 C ATOM 439 O ARG A 30 -9.732 9.399 -3.700 1.00 0.00 O ATOM 440 CB ARG A 30 -7.373 7.958 -5.744 1.00 0.00 C ATOM 441 CG ARG A 30 -8.557 7.528 -6.594 1.00 0.00 C ATOM 442 CD ARG A 30 -9.351 8.727 -7.089 1.00 0.00 C ATOM 443 NE ARG A 30 -10.405 8.338 -8.023 1.00 0.00 N ATOM 444 CZ ARG A 30 -11.436 9.116 -8.333 1.00 0.00 C ATOM 445 NH1 ARG A 30 -11.550 10.319 -7.788 1.00 0.00 N ATOM 446 NH2 ARG A 30 -12.354 8.691 -9.192 1.00 0.00 N ATOM 0 H ARG A 30 -9.310 6.835 -4.162 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.812 8.360 -3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.946 8.869 -6.165 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.601 7.190 -5.797 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.203 6.948 -7.446 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.207 6.875 -6.011 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.794 9.245 -6.238 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.677 9.432 -7.576 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.346 7.419 -8.461 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.845 10.649 -7.129 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.343 10.914 -8.028 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.268 7.767 -9.614 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.146 9.289 -9.430 1.00 0.00 H new ATOM 460 N ARG A 31 -8.036 10.595 -4.571 1.00 0.00 N ATOM 461 CA ARG A 31 -8.753 11.863 -4.508 1.00 0.00 C ATOM 462 C ARG A 31 -8.311 12.793 -5.634 1.00 0.00 C ATOM 463 O ARG A 31 -7.124 13.086 -5.781 1.00 0.00 O ATOM 464 CB ARG A 31 -8.522 12.537 -3.154 1.00 0.00 C ATOM 465 CG ARG A 31 -7.055 12.758 -2.826 1.00 0.00 C ATOM 466 CD ARG A 31 -6.869 13.221 -1.390 1.00 0.00 C ATOM 467 NE ARG A 31 -5.501 13.664 -1.130 1.00 0.00 N ATOM 468 CZ ARG A 31 -5.047 13.975 0.078 1.00 0.00 C ATOM 469 NH1 ARG A 31 -5.846 13.891 1.133 1.00 0.00 N ATOM 470 NH2 ARG A 31 -3.789 14.371 0.234 1.00 0.00 N ATOM 0 H ARG A 31 -7.092 10.662 -4.953 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.817 11.657 -4.626 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.037 13.498 -3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.972 11.926 -2.372 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.502 11.832 -2.985 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.637 13.500 -3.506 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.560 14.037 -1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.121 12.407 -0.711 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.860 13.738 -1.920 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.813 13.587 1.018 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.494 14.131 2.060 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.171 14.436 -0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.441 14.610 1.163 1.00 0.00 H new ATOM 484 N SER A 32 -9.274 13.254 -6.426 1.00 0.00 N ATOM 485 CA SER A 32 -8.984 14.148 -7.541 1.00 0.00 C ATOM 486 C SER A 32 -8.959 15.602 -7.079 1.00 0.00 C ATOM 487 O SER A 32 -9.572 16.473 -7.696 1.00 0.00 O ATOM 488 CB SER A 32 -10.025 13.971 -8.648 1.00 0.00 C ATOM 489 OG SER A 32 -11.272 14.528 -8.270 1.00 0.00 O ATOM 0 H SER A 32 -10.261 13.023 -6.316 1.00 0.00 H new ATOM 0 HA SER A 32 -8.000 13.892 -7.933 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.672 14.448 -9.562 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.149 12.911 -8.869 1.00 0.00 H new ATOM 0 HG SER A 32 -11.175 15.496 -8.150 1.00 0.00 H new ATOM 495 N THR A 33 -8.244 15.858 -5.988 1.00 0.00 N ATOM 496 CA THR A 33 -8.138 17.205 -5.441 1.00 0.00 C ATOM 497 C THR A 33 -6.910 17.924 -5.986 1.00 0.00 C ATOM 498 O THR A 33 -6.185 18.586 -5.242 1.00 0.00 O ATOM 499 CB THR A 33 -8.066 17.182 -3.903 1.00 0.00 C ATOM 500 OG1 THR A 33 -9.098 16.341 -3.376 1.00 0.00 O ATOM 501 CG2 THR A 33 -8.210 18.586 -3.334 1.00 0.00 C ATOM 0 H THR A 33 -7.729 15.149 -5.465 1.00 0.00 H new ATOM 0 HA THR A 33 -9.035 17.743 -5.747 1.00 0.00 H new ATOM 0 HB THR A 33 -7.093 16.787 -3.613 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.044 16.331 -2.398 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.156 18.545 -2.246 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.406 19.217 -3.714 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.171 19.003 -3.634 1.00 0.00 H new ATOM 509 N LEU A 34 -6.681 17.792 -7.288 1.00 0.00 N ATOM 510 CA LEU A 34 -5.539 18.431 -7.933 1.00 0.00 C ATOM 511 C LEU A 34 -4.244 18.105 -7.196 1.00 0.00 C ATOM 512 O LEU A 34 -3.464 18.998 -6.867 1.00 0.00 O ATOM 513 CB LEU A 34 -5.741 19.946 -7.987 1.00 0.00 C ATOM 514 CG LEU A 34 -5.015 20.680 -9.115 1.00 0.00 C ATOM 515 CD1 LEU A 34 -5.783 20.546 -10.420 1.00 0.00 C ATOM 516 CD2 LEU A 34 -4.820 22.147 -8.757 1.00 0.00 C ATOM 0 H LEU A 34 -7.271 17.248 -7.918 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.464 18.044 -8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.808 20.147 -8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.416 20.370 -7.037 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.034 20.225 -9.247 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.251 21.075 -11.211 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.871 19.492 -10.684 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.778 20.975 -10.302 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.302 22.654 -9.571 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.792 22.615 -8.598 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.227 22.223 -7.846 1.00 0.00 H new ATOM 528 N SER A 35 -4.022 16.819 -6.942 1.00 0.00 N ATOM 529 CA SER A 35 -2.822 16.374 -6.243 1.00 0.00 C ATOM 530 C SER A 35 -1.879 15.642 -7.193 1.00 0.00 C ATOM 531 O SER A 35 -1.443 14.526 -6.914 1.00 0.00 O ATOM 532 CB SER A 35 -3.196 15.462 -5.074 1.00 0.00 C ATOM 533 OG SER A 35 -2.222 15.523 -4.046 1.00 0.00 O ATOM 0 H SER A 35 -4.657 16.067 -7.210 1.00 0.00 H new ATOM 0 HA SER A 35 -2.309 17.255 -5.857 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.167 15.756 -4.676 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.293 14.435 -5.427 1.00 0.00 H new ATOM 0 HG SER A 35 -2.486 14.932 -3.310 1.00 0.00 H new ATOM 539 N ARG A 36 -1.569 16.280 -8.317 1.00 0.00 N ATOM 540 CA ARG A 36 -0.680 15.690 -9.310 1.00 0.00 C ATOM 541 C ARG A 36 -1.122 14.273 -9.662 1.00 0.00 C ATOM 542 O ARG A 36 -0.300 13.360 -9.753 1.00 0.00 O ATOM 543 CB ARG A 36 0.759 15.673 -8.790 1.00 0.00 C ATOM 544 CG ARG A 36 1.804 15.787 -9.888 1.00 0.00 C ATOM 545 CD ARG A 36 3.208 15.894 -9.312 1.00 0.00 C ATOM 546 NE ARG A 36 3.499 17.240 -8.828 1.00 0.00 N ATOM 547 CZ ARG A 36 4.350 17.499 -7.841 1.00 0.00 C ATOM 548 NH1 ARG A 36 4.990 16.507 -7.237 1.00 0.00 N ATOM 549 NH2 ARG A 36 4.563 18.751 -7.457 1.00 0.00 N ATOM 0 H ARG A 36 -1.921 17.206 -8.562 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.726 16.301 -10.212 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.892 16.495 -8.087 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.925 14.749 -8.236 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.743 14.917 -10.542 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.594 16.662 -10.502 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.319 15.182 -8.494 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.935 15.618 -10.076 1.00 0.00 H new ATOM 0 HE ARG A 36 3.023 18.025 -9.272 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.829 15.543 -7.530 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.643 16.708 -6.480 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.073 19.517 -7.920 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.217 18.948 -6.699 1.00 0.00 H new ATOM 563 N ARG A 37 -2.424 14.096 -9.859 1.00 0.00 N ATOM 564 CA ARG A 37 -2.975 12.790 -10.199 1.00 0.00 C ATOM 565 C ARG A 37 -2.544 12.367 -11.600 1.00 0.00 C ATOM 566 O ARG A 37 -3.354 12.329 -12.527 1.00 0.00 O ATOM 567 CB ARG A 37 -4.502 12.819 -10.111 1.00 0.00 C ATOM 568 CG ARG A 37 -5.144 13.870 -11.001 1.00 0.00 C ATOM 569 CD ARG A 37 -5.373 15.172 -10.249 1.00 0.00 C ATOM 570 NE ARG A 37 -6.571 15.868 -10.711 1.00 0.00 N ATOM 571 CZ ARG A 37 -6.587 16.694 -11.751 1.00 0.00 C ATOM 572 NH1 ARG A 37 -5.474 16.927 -12.433 1.00 0.00 N ATOM 573 NH2 ARG A 37 -7.717 17.290 -12.110 1.00 0.00 N ATOM 0 H ARG A 37 -3.117 14.841 -9.789 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.590 12.063 -9.484 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.892 11.838 -10.383 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.794 13.003 -9.077 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.506 14.055 -11.865 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.095 13.496 -11.380 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.463 14.964 -9.183 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.506 15.820 -10.375 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.444 15.711 -10.207 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.603 16.472 -12.159 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.488 17.562 -13.231 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.575 17.114 -11.587 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.728 17.924 -12.909 1.00 0.00 H new ATOM 587 N LYS A 38 -1.263 12.049 -11.749 1.00 0.00 N ATOM 588 CA LYS A 38 -0.722 11.627 -13.035 1.00 0.00 C ATOM 589 C LYS A 38 -0.679 10.105 -13.135 1.00 0.00 C ATOM 590 O LYS A 38 -1.163 9.522 -14.106 1.00 0.00 O ATOM 591 CB LYS A 38 0.682 12.201 -13.235 1.00 0.00 C ATOM 592 CG LYS A 38 0.692 13.566 -13.902 1.00 0.00 C ATOM 593 CD LYS A 38 0.197 14.651 -12.960 1.00 0.00 C ATOM 594 CE LYS A 38 -1.305 14.852 -13.081 1.00 0.00 C ATOM 595 NZ LYS A 38 -1.656 15.726 -14.235 1.00 0.00 N ATOM 0 H LYS A 38 -0.579 12.076 -10.993 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.378 12.007 -13.818 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.176 12.276 -12.266 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.267 11.507 -13.839 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.703 13.803 -14.232 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.064 13.541 -14.792 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.448 14.385 -11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.709 15.587 -13.181 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.793 13.884 -13.197 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.688 15.294 -12.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.689 15.839 -14.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.211 16.658 -14.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.313 15.292 -15.116 1.00 0.00 H new ATOM 609 N THR A 39 -0.098 9.466 -12.124 1.00 0.00 N ATOM 610 CA THR A 39 0.008 8.013 -12.098 1.00 0.00 C ATOM 611 C THR A 39 -0.627 7.438 -10.837 1.00 0.00 C ATOM 612 O THR A 39 -0.272 7.799 -9.714 1.00 0.00 O ATOM 613 CB THR A 39 1.476 7.555 -12.174 1.00 0.00 C ATOM 614 OG1 THR A 39 2.190 8.354 -13.124 1.00 0.00 O ATOM 615 CG2 THR A 39 1.566 6.088 -12.567 1.00 0.00 C ATOM 0 H THR A 39 0.306 9.933 -11.312 1.00 0.00 H new ATOM 0 HA THR A 39 -0.526 7.642 -12.973 1.00 0.00 H new ATOM 0 HB THR A 39 1.923 7.678 -11.188 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.123 8.058 -13.165 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.613 5.788 -12.614 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.047 5.480 -11.826 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.103 5.944 -13.543 1.00 0.00 H new ATOM 623 N PRO A 40 -1.589 6.522 -11.022 1.00 0.00 N ATOM 624 CA PRO A 40 -2.293 5.877 -9.910 1.00 0.00 C ATOM 625 C PRO A 40 -1.395 4.920 -9.133 1.00 0.00 C ATOM 626 O PRO A 40 -1.337 3.728 -9.431 1.00 0.00 O ATOM 627 CB PRO A 40 -3.421 5.108 -10.602 1.00 0.00 C ATOM 628 CG PRO A 40 -2.918 4.858 -11.982 1.00 0.00 C ATOM 629 CD PRO A 40 -2.063 6.045 -12.332 1.00 0.00 C ATOM 0 HA PRO A 40 -2.642 6.601 -9.174 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.639 4.174 -10.085 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.344 5.687 -10.616 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.341 3.935 -12.026 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.744 4.751 -12.685 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.234 5.765 -12.982 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.634 6.811 -12.856 1.00 0.00 H new ATOM 637 N MET A 41 -0.697 5.451 -8.134 1.00 0.00 N ATOM 638 CA MET A 41 0.197 4.643 -7.313 1.00 0.00 C ATOM 639 C MET A 41 -0.336 4.519 -5.889 1.00 0.00 C ATOM 640 O MET A 41 -0.774 5.503 -5.292 1.00 0.00 O ATOM 641 CB MET A 41 1.599 5.254 -7.294 1.00 0.00 C ATOM 642 CG MET A 41 2.345 5.106 -8.610 1.00 0.00 C ATOM 643 SD MET A 41 4.136 5.125 -8.400 1.00 0.00 S ATOM 644 CE MET A 41 4.521 3.391 -8.628 1.00 0.00 C ATOM 0 H MET A 41 -0.733 6.437 -7.874 1.00 0.00 H new ATOM 0 HA MET A 41 0.249 3.646 -7.751 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.522 6.313 -7.047 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.181 4.783 -6.501 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.049 4.172 -9.088 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.053 5.914 -9.281 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.462 3.159 -8.130 1.00 0.00 H new ATOM 0 HE2 MET A 41 3.724 2.782 -8.201 1.00 0.00 H new ATOM 0 HE3 MET A 41 4.611 3.175 -9.693 1.00 0.00 H new ATOM 654 N CYS A 42 -0.296 3.305 -5.350 1.00 0.00 N ATOM 655 CA CYS A 42 -0.775 3.052 -3.997 1.00 0.00 C ATOM 656 C CYS A 42 0.271 3.460 -2.964 1.00 0.00 C ATOM 657 O CYS A 42 1.464 3.507 -3.261 1.00 0.00 O ATOM 658 CB CYS A 42 -1.127 1.573 -3.826 1.00 0.00 C ATOM 659 SG CYS A 42 0.312 0.457 -3.871 1.00 0.00 S ATOM 0 H CYS A 42 0.064 2.480 -5.831 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.671 3.652 -3.838 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.646 1.441 -2.877 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.823 1.283 -4.613 1.00 0.00 H new ATOM 664 N GLU A 43 -0.186 3.753 -1.751 1.00 0.00 N ATOM 665 CA GLU A 43 0.711 4.158 -0.674 1.00 0.00 C ATOM 666 C GLU A 43 1.948 3.264 -0.632 1.00 0.00 C ATOM 667 O GLU A 43 3.074 3.748 -0.513 1.00 0.00 O ATOM 668 CB GLU A 43 -0.015 4.105 0.672 1.00 0.00 C ATOM 669 CG GLU A 43 -0.523 2.720 1.036 1.00 0.00 C ATOM 670 CD GLU A 43 -1.467 2.739 2.222 1.00 0.00 C ATOM 671 OE1 GLU A 43 -2.649 3.096 2.033 1.00 0.00 O ATOM 672 OE2 GLU A 43 -1.025 2.396 3.338 1.00 0.00 O ATOM 0 H GLU A 43 -1.171 3.718 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 43 1.029 5.182 -0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.661 4.452 1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.857 4.797 0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.034 2.287 0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.325 2.074 1.262 1.00 0.00 H new ATOM 679 N LYS A 44 1.730 1.957 -0.731 1.00 0.00 N ATOM 680 CA LYS A 44 2.825 0.995 -0.705 1.00 0.00 C ATOM 681 C LYS A 44 3.920 1.390 -1.691 1.00 0.00 C ATOM 682 O LYS A 44 5.086 1.522 -1.318 1.00 0.00 O ATOM 683 CB LYS A 44 2.307 -0.407 -1.037 1.00 0.00 C ATOM 684 CG LYS A 44 3.352 -1.496 -0.870 1.00 0.00 C ATOM 685 CD LYS A 44 2.715 -2.875 -0.806 1.00 0.00 C ATOM 686 CE LYS A 44 3.761 -3.976 -0.873 1.00 0.00 C ATOM 687 NZ LYS A 44 4.704 -3.915 0.279 1.00 0.00 N ATOM 0 H LYS A 44 0.805 1.540 -0.830 1.00 0.00 H new ATOM 0 HA LYS A 44 3.249 0.991 0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.455 -0.632 -0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.944 -0.417 -2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.055 -1.457 -1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.924 -1.316 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.144 -2.970 0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.011 -2.990 -1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.266 -4.947 -0.886 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.320 -3.890 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.338 -4.739 0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.268 -3.043 0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.166 -3.920 1.169 1.00 0.00 H new ATOM 701 N CYS A 45 3.537 1.578 -2.949 1.00 0.00 N ATOM 702 CA CYS A 45 4.486 1.959 -3.989 1.00 0.00 C ATOM 703 C CYS A 45 5.017 3.370 -3.749 1.00 0.00 C ATOM 704 O CYS A 45 6.215 3.623 -3.879 1.00 0.00 O ATOM 705 CB CYS A 45 3.825 1.878 -5.366 1.00 0.00 C ATOM 706 SG CYS A 45 3.461 0.181 -5.917 1.00 0.00 S ATOM 0 H CYS A 45 2.576 1.473 -3.274 1.00 0.00 H new ATOM 0 HA CYS A 45 5.324 1.263 -3.955 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.897 2.449 -5.346 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.476 2.355 -6.099 1.00 0.00 H new ATOM 711 N ARG A 46 4.118 4.283 -3.399 1.00 0.00 N ATOM 712 CA ARG A 46 4.496 5.668 -3.143 1.00 0.00 C ATOM 713 C ARG A 46 5.662 5.741 -2.162 1.00 0.00 C ATOM 714 O ARG A 46 6.534 6.602 -2.279 1.00 0.00 O ATOM 715 CB ARG A 46 3.302 6.451 -2.592 1.00 0.00 C ATOM 716 CG ARG A 46 2.281 6.831 -3.652 1.00 0.00 C ATOM 717 CD ARG A 46 0.980 7.308 -3.026 1.00 0.00 C ATOM 718 NE ARG A 46 1.030 8.725 -2.673 1.00 0.00 N ATOM 719 CZ ARG A 46 0.189 9.300 -1.821 1.00 0.00 C ATOM 720 NH1 ARG A 46 -0.761 8.584 -1.237 1.00 0.00 N ATOM 721 NH2 ARG A 46 0.299 10.595 -1.551 1.00 0.00 N ATOM 0 H ARG A 46 3.123 4.089 -3.286 1.00 0.00 H new ATOM 0 HA ARG A 46 4.810 6.113 -4.087 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.810 5.854 -1.824 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.665 7.358 -2.108 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.690 7.617 -4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.084 5.972 -4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.159 7.136 -3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.770 6.719 -2.133 1.00 0.00 H new ATOM 0 HE ARG A 46 1.750 9.304 -3.105 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.848 7.588 -1.441 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.405 9.028 -0.583 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.030 11.149 -1.998 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.347 11.036 -0.897 1.00 0.00 H new ATOM 735 N LYS A 47 5.671 4.831 -1.193 1.00 0.00 N ATOM 736 CA LYS A 47 6.730 4.790 -0.191 1.00 0.00 C ATOM 737 C LYS A 47 8.023 4.244 -0.788 1.00 0.00 C ATOM 738 O LYS A 47 9.118 4.627 -0.376 1.00 0.00 O ATOM 739 CB LYS A 47 6.301 3.928 0.998 1.00 0.00 C ATOM 740 CG LYS A 47 5.170 4.533 1.812 1.00 0.00 C ATOM 741 CD LYS A 47 4.929 3.756 3.095 1.00 0.00 C ATOM 742 CE LYS A 47 3.488 3.888 3.563 1.00 0.00 C ATOM 743 NZ LYS A 47 2.611 2.845 2.961 1.00 0.00 N ATOM 0 H LYS A 47 4.956 4.112 -1.081 1.00 0.00 H new ATOM 0 HA LYS A 47 6.911 5.808 0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.991 2.949 0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.161 3.768 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.407 5.569 2.052 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.257 4.545 1.216 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.166 2.704 2.935 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.600 4.119 3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.451 3.811 4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.110 4.876 3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.622 3.030 3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.705 2.868 1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.893 1.908 3.313 1.00 0.00 H new ATOM 757 N ASP A 48 7.889 3.350 -1.761 1.00 0.00 N ATOM 758 CA ASP A 48 9.047 2.754 -2.417 1.00 0.00 C ATOM 759 C ASP A 48 10.181 3.766 -2.543 1.00 0.00 C ATOM 760 O ASP A 48 9.971 4.896 -2.984 1.00 0.00 O ATOM 761 CB ASP A 48 8.662 2.226 -3.800 1.00 0.00 C ATOM 762 CG ASP A 48 8.840 3.268 -4.887 1.00 0.00 C ATOM 763 OD1 ASP A 48 8.324 4.393 -4.721 1.00 0.00 O ATOM 764 OD2 ASP A 48 9.494 2.957 -5.905 1.00 0.00 O ATOM 0 H ASP A 48 6.990 3.022 -2.113 1.00 0.00 H new ATOM 0 HA ASP A 48 9.393 1.922 -1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.270 1.353 -4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.623 1.896 -3.784 1.00 0.00 H new ATOM 769 N SER A 49 11.382 3.354 -2.152 1.00 0.00 N ATOM 770 CA SER A 49 12.549 4.226 -2.216 1.00 0.00 C ATOM 771 C SER A 49 13.726 3.512 -2.875 1.00 0.00 C ATOM 772 O SER A 49 14.725 3.208 -2.223 1.00 0.00 O ATOM 773 CB SER A 49 12.942 4.693 -0.813 1.00 0.00 C ATOM 774 OG SER A 49 13.346 3.600 -0.007 1.00 0.00 O ATOM 0 H SER A 49 11.573 2.421 -1.787 1.00 0.00 H new ATOM 0 HA SER A 49 12.289 5.095 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.753 5.418 -0.881 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.099 5.201 -0.346 1.00 0.00 H new ATOM 0 HG SER A 49 14.092 3.133 -0.439 1.00 0.00 H new ATOM 780 N CYS A 50 13.599 3.249 -4.171 1.00 0.00 N ATOM 781 CA CYS A 50 14.651 2.569 -4.919 1.00 0.00 C ATOM 782 C CYS A 50 15.027 3.360 -6.168 1.00 0.00 C ATOM 783 O CYS A 50 16.205 3.602 -6.429 1.00 0.00 O ATOM 784 CB CYS A 50 14.200 1.161 -5.309 1.00 0.00 C ATOM 785 SG CYS A 50 15.533 0.100 -5.915 1.00 0.00 S ATOM 0 H CYS A 50 12.779 3.496 -4.725 1.00 0.00 H new ATOM 0 HA CYS A 50 15.530 2.496 -4.278 1.00 0.00 H new ATOM 0 HB2 CYS A 50 13.737 0.687 -4.444 1.00 0.00 H new ATOM 0 HB3 CYS A 50 13.432 1.237 -6.079 1.00 0.00 H new ATOM 0 HG CYS A 50 15.053 -1.070 -6.217 1.00 0.00 H new ATOM 791 N GLN A 51 14.017 3.758 -6.936 1.00 0.00 N ATOM 792 CA GLN A 51 14.243 4.520 -8.159 1.00 0.00 C ATOM 793 C GLN A 51 13.720 5.946 -8.017 1.00 0.00 C ATOM 794 O GLN A 51 12.647 6.275 -8.519 1.00 0.00 O ATOM 795 CB GLN A 51 13.566 3.832 -9.345 1.00 0.00 C ATOM 796 CG GLN A 51 14.133 2.456 -9.656 1.00 0.00 C ATOM 797 CD GLN A 51 13.136 1.560 -10.364 1.00 0.00 C ATOM 798 OE1 GLN A 51 12.774 1.803 -11.515 1.00 0.00 O ATOM 799 NE2 GLN A 51 12.687 0.516 -9.677 1.00 0.00 N ATOM 0 H GLN A 51 13.036 3.566 -6.733 1.00 0.00 H new ATOM 0 HA GLN A 51 15.317 4.563 -8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.500 3.738 -9.139 1.00 0.00 H new ATOM 0 HB3 GLN A 51 13.666 4.465 -10.227 1.00 0.00 H new ATOM 0 HG2 GLN A 51 15.022 2.566 -10.277 1.00 0.00 H new ATOM 0 HG3 GLN A 51 14.449 1.979 -8.728 1.00 0.00 H new ATOM 0 HE21 GLN A 51 13.015 0.353 -8.725 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.015 -0.123 -10.101 1.00 0.00 H new ATOM 808 N GLU A 52 14.487 6.786 -7.328 1.00 0.00 N ATOM 809 CA GLU A 52 14.099 8.176 -7.120 1.00 0.00 C ATOM 810 C GLU A 52 13.866 8.882 -8.452 1.00 0.00 C ATOM 811 O GLU A 52 14.354 8.442 -9.493 1.00 0.00 O ATOM 812 CB GLU A 52 15.175 8.914 -6.320 1.00 0.00 C ATOM 813 CG GLU A 52 16.542 8.900 -6.983 1.00 0.00 C ATOM 814 CD GLU A 52 16.743 10.066 -7.932 1.00 0.00 C ATOM 815 OE1 GLU A 52 16.175 11.147 -7.671 1.00 0.00 O ATOM 816 OE2 GLU A 52 17.466 9.897 -8.936 1.00 0.00 O ATOM 0 H GLU A 52 15.379 6.528 -6.905 1.00 0.00 H new ATOM 0 HA GLU A 52 13.166 8.185 -6.556 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.862 9.948 -6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.255 8.462 -5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.315 8.925 -6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.667 7.966 -7.530 1.00 0.00 H new ATOM 823 N ALA A 53 13.117 9.979 -8.411 1.00 0.00 N ATOM 824 CA ALA A 53 12.820 10.746 -9.614 1.00 0.00 C ATOM 825 C ALA A 53 13.212 12.210 -9.442 1.00 0.00 C ATOM 826 O ALA A 53 12.363 13.064 -9.189 1.00 0.00 O ATOM 827 CB ALA A 53 11.343 10.631 -9.962 1.00 0.00 C ATOM 0 H ALA A 53 12.705 10.356 -7.558 1.00 0.00 H new ATOM 0 HA ALA A 53 13.408 10.333 -10.433 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.135 11.209 -10.863 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.090 9.585 -10.136 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.744 11.017 -9.137 1.00 0.00 H new ATOM 833 N ALA A 54 14.503 12.492 -9.580 1.00 0.00 N ATOM 834 CA ALA A 54 15.007 13.852 -9.441 1.00 0.00 C ATOM 835 C ALA A 54 15.627 14.344 -10.744 1.00 0.00 C ATOM 836 O ALA A 54 16.649 15.032 -10.737 1.00 0.00 O ATOM 837 CB ALA A 54 16.023 13.926 -8.310 1.00 0.00 C ATOM 0 H ALA A 54 15.219 11.796 -9.788 1.00 0.00 H new ATOM 0 HA ALA A 54 14.165 14.502 -9.202 1.00 0.00 H new ATOM 0 HB1 ALA A 54 16.391 14.948 -8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.550 13.625 -7.375 1.00 0.00 H new ATOM 0 HB3 ALA A 54 16.857 13.258 -8.526 1.00 0.00 H new ATOM 843 N LEU A 55 15.004 13.987 -11.862 1.00 0.00 N ATOM 844 CA LEU A 55 15.495 14.392 -13.175 1.00 0.00 C ATOM 845 C LEU A 55 14.745 15.620 -13.682 1.00 0.00 C ATOM 846 O LEU A 55 13.560 15.547 -14.001 1.00 0.00 O ATOM 847 CB LEU A 55 15.348 13.242 -14.173 1.00 0.00 C ATOM 848 CG LEU A 55 16.374 13.201 -15.305 1.00 0.00 C ATOM 849 CD1 LEU A 55 16.148 14.352 -16.273 1.00 0.00 C ATOM 850 CD2 LEU A 55 17.788 13.243 -14.745 1.00 0.00 C ATOM 0 H LEU A 55 14.158 13.418 -11.886 1.00 0.00 H new ATOM 0 HA LEU A 55 16.550 14.648 -13.078 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.404 12.302 -13.624 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.352 13.295 -14.614 1.00 0.00 H new ATOM 0 HG LEU A 55 16.248 12.265 -15.850 1.00 0.00 H new ATOM 0 HD11 LEU A 55 16.888 14.306 -17.072 1.00 0.00 H new ATOM 0 HD12 LEU A 55 15.148 14.277 -16.700 1.00 0.00 H new ATOM 0 HD13 LEU A 55 16.246 15.299 -15.742 1.00 0.00 H new ATOM 0 HD21 LEU A 55 18.505 13.213 -15.565 1.00 0.00 H new ATOM 0 HD22 LEU A 55 17.927 14.162 -14.175 1.00 0.00 H new ATOM 0 HD23 LEU A 55 17.947 12.384 -14.093 1.00 0.00 H new ATOM 862 N ASN A 56 15.447 16.747 -13.754 1.00 0.00 N ATOM 863 CA ASN A 56 14.848 17.990 -14.225 1.00 0.00 C ATOM 864 C ASN A 56 14.861 18.059 -15.749 1.00 0.00 C ATOM 865 O ASN A 56 15.697 18.739 -16.344 1.00 0.00 O ATOM 866 CB ASN A 56 15.595 19.192 -13.643 1.00 0.00 C ATOM 867 CG ASN A 56 15.110 19.557 -12.253 1.00 0.00 C ATOM 868 OD1 ASN A 56 13.988 20.033 -12.080 1.00 0.00 O ATOM 869 ND2 ASN A 56 15.956 19.334 -11.254 1.00 0.00 N ATOM 0 H ASN A 56 16.430 16.824 -13.492 1.00 0.00 H new ATOM 0 HA ASN A 56 13.812 18.015 -13.888 1.00 0.00 H new ATOM 0 HB2 ASN A 56 16.662 18.970 -13.606 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.470 20.049 -14.305 1.00 0.00 H new ATOM 0 HD21 ASN A 56 15.685 19.559 -10.297 1.00 0.00 H new ATOM 0 HD22 ASN A 56 16.876 18.938 -11.444 1.00 0.00 H new ATOM 876 N LYS A 57 13.929 17.349 -16.375 1.00 0.00 N ATOM 877 CA LYS A 57 13.831 17.329 -17.830 1.00 0.00 C ATOM 878 C LYS A 57 13.796 18.747 -18.392 1.00 0.00 C ATOM 879 O LYS A 57 13.282 19.665 -17.754 1.00 0.00 O ATOM 880 CB LYS A 57 12.579 16.565 -18.267 1.00 0.00 C ATOM 881 CG LYS A 57 12.808 15.073 -18.443 1.00 0.00 C ATOM 882 CD LYS A 57 11.499 14.330 -18.652 1.00 0.00 C ATOM 883 CE LYS A 57 11.724 12.830 -18.772 1.00 0.00 C ATOM 884 NZ LYS A 57 10.439 12.084 -18.875 1.00 0.00 N ATOM 0 H LYS A 57 13.230 16.779 -15.898 1.00 0.00 H new ATOM 0 HA LYS A 57 14.713 16.823 -18.222 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.793 16.719 -17.528 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.218 16.982 -19.207 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.465 14.903 -19.296 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.317 14.676 -17.565 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.827 14.533 -17.818 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.009 14.699 -19.553 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.336 12.623 -19.650 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.281 12.476 -17.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.634 11.066 -18.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.866 12.261 -18.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.918 12.404 -19.717 1.00 0.00 H new ATOM 898 N ASP A 58 14.343 18.916 -19.591 1.00 0.00 N ATOM 899 CA ASP A 58 14.372 20.222 -20.240 1.00 0.00 C ATOM 900 C ASP A 58 13.057 20.499 -20.962 1.00 0.00 C ATOM 901 O ASP A 58 13.049 20.911 -22.121 1.00 0.00 O ATOM 902 CB ASP A 58 15.536 20.298 -21.229 1.00 0.00 C ATOM 903 CG ASP A 58 15.692 19.026 -22.039 1.00 0.00 C ATOM 904 OD1 ASP A 58 14.668 18.360 -22.301 1.00 0.00 O ATOM 905 OD2 ASP A 58 16.837 18.696 -22.412 1.00 0.00 O ATOM 0 H ASP A 58 14.772 18.166 -20.133 1.00 0.00 H new ATOM 0 HA ASP A 58 14.510 20.980 -19.469 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.380 21.139 -21.905 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.460 20.494 -20.684 1.00 0.00 H new ATOM 910 N GLU A 59 11.947 20.269 -20.267 1.00 0.00 N ATOM 911 CA GLU A 59 10.626 20.492 -20.843 1.00 0.00 C ATOM 912 C GLU A 59 10.187 21.941 -20.653 1.00 0.00 C ATOM 913 O GLU A 59 10.875 22.730 -20.005 1.00 0.00 O ATOM 914 CB GLU A 59 9.602 19.550 -20.208 1.00 0.00 C ATOM 915 CG GLU A 59 9.574 18.167 -20.837 1.00 0.00 C ATOM 916 CD GLU A 59 8.806 17.162 -20.002 1.00 0.00 C ATOM 917 OE1 GLU A 59 7.559 17.153 -20.083 1.00 0.00 O ATOM 918 OE2 GLU A 59 9.449 16.383 -19.268 1.00 0.00 O ATOM 0 H GLU A 59 11.936 19.929 -19.305 1.00 0.00 H new ATOM 0 HA GLU A 59 10.685 20.285 -21.912 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.822 19.452 -19.145 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.611 19.997 -20.289 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.123 18.231 -21.827 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.596 17.814 -20.975 1.00 0.00 H new ATOM 925 N GLY A 60 9.036 22.285 -21.222 1.00 0.00 N ATOM 926 CA GLY A 60 8.525 23.638 -21.105 1.00 0.00 C ATOM 927 C GLY A 60 7.039 23.673 -20.806 1.00 0.00 C ATOM 928 O GLY A 60 6.306 24.485 -21.367 1.00 0.00 O ATOM 0 H GLY A 60 8.448 21.650 -21.762 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.064 24.159 -20.314 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.719 24.178 -22.032 1.00 0.00 H new ATOM 932 N ASN A 61 6.594 22.787 -19.921 1.00 0.00 N ATOM 933 CA ASN A 61 5.185 22.718 -19.551 1.00 0.00 C ATOM 934 C ASN A 61 4.882 23.655 -18.385 1.00 0.00 C ATOM 935 O ASN A 61 5.780 24.042 -17.639 1.00 0.00 O ATOM 936 CB ASN A 61 4.804 21.284 -19.178 1.00 0.00 C ATOM 937 CG ASN A 61 3.551 21.221 -18.326 1.00 0.00 C ATOM 938 OD1 ASN A 61 3.621 21.018 -17.114 1.00 0.00 O ATOM 939 ND2 ASN A 61 2.396 21.397 -18.958 1.00 0.00 N ATOM 0 H ASN A 61 7.188 22.107 -19.447 1.00 0.00 H new ATOM 0 HA ASN A 61 4.594 23.033 -20.411 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.651 20.703 -20.088 1.00 0.00 H new ATOM 0 HB3 ASN A 61 5.630 20.820 -18.639 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.520 21.367 -18.437 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.385 21.563 -19.964 1.00 0.00 H new ATOM 946 N GLU A 62 3.611 24.015 -18.237 1.00 0.00 N ATOM 947 CA GLU A 62 3.191 24.907 -17.163 1.00 0.00 C ATOM 948 C GLU A 62 3.409 24.257 -15.799 1.00 0.00 C ATOM 949 O GLU A 62 2.507 23.628 -15.248 1.00 0.00 O ATOM 950 CB GLU A 62 1.717 25.284 -17.330 1.00 0.00 C ATOM 951 CG GLU A 62 1.457 26.217 -18.501 1.00 0.00 C ATOM 952 CD GLU A 62 0.029 26.135 -19.006 1.00 0.00 C ATOM 953 OE1 GLU A 62 -0.587 25.057 -18.872 1.00 0.00 O ATOM 954 OE2 GLU A 62 -0.472 27.149 -19.535 1.00 0.00 O ATOM 0 H GLU A 62 2.855 23.703 -18.847 1.00 0.00 H new ATOM 0 HA GLU A 62 3.799 25.810 -17.217 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.131 24.375 -17.464 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.366 25.758 -16.413 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.674 27.242 -18.199 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.141 25.973 -19.314 1.00 0.00 H new ATOM 961 N SER A 63 4.615 24.414 -15.262 1.00 0.00 N ATOM 962 CA SER A 63 4.955 23.840 -13.966 1.00 0.00 C ATOM 963 C SER A 63 5.673 24.862 -13.090 1.00 0.00 C ATOM 964 O SER A 63 6.882 25.058 -13.210 1.00 0.00 O ATOM 965 CB SER A 63 5.833 22.600 -14.148 1.00 0.00 C ATOM 966 OG SER A 63 7.062 22.933 -14.769 1.00 0.00 O ATOM 0 H SER A 63 5.373 24.934 -15.705 1.00 0.00 H new ATOM 0 HA SER A 63 4.028 23.551 -13.470 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.025 22.141 -13.178 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.305 21.862 -14.752 1.00 0.00 H new ATOM 0 HG SER A 63 7.378 23.796 -14.428 1.00 0.00 H new ATOM 972 N GLY A 64 4.919 25.512 -12.209 1.00 0.00 N ATOM 973 CA GLY A 64 5.500 26.506 -11.325 1.00 0.00 C ATOM 974 C GLY A 64 4.824 26.543 -9.969 1.00 0.00 C ATOM 975 O GLY A 64 5.320 25.962 -9.003 1.00 0.00 O ATOM 0 H GLY A 64 3.916 25.368 -12.091 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.561 26.294 -11.193 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.427 27.489 -11.791 1.00 0.00 H new ATOM 979 N LYS A 65 3.688 27.228 -9.895 1.00 0.00 N ATOM 980 CA LYS A 65 2.942 27.340 -8.647 1.00 0.00 C ATOM 981 C LYS A 65 2.901 26.002 -7.916 1.00 0.00 C ATOM 982 O LYS A 65 3.194 25.925 -6.723 1.00 0.00 O ATOM 983 CB LYS A 65 1.517 27.826 -8.923 1.00 0.00 C ATOM 984 CG LYS A 65 1.375 29.338 -8.899 1.00 0.00 C ATOM 985 CD LYS A 65 1.920 29.970 -10.169 1.00 0.00 C ATOM 986 CE LYS A 65 1.539 31.439 -10.269 1.00 0.00 C ATOM 987 NZ LYS A 65 1.826 31.995 -11.620 1.00 0.00 N ATOM 0 H LYS A 65 3.264 27.714 -10.685 1.00 0.00 H new ATOM 0 HA LYS A 65 3.451 28.066 -8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.198 27.455 -9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.845 27.394 -8.181 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.324 29.604 -8.781 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.904 29.740 -8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.005 29.873 -10.188 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.536 29.434 -11.037 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.478 31.555 -10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.087 32.008 -9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.553 32.998 -11.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.842 31.907 -11.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.284 31.468 -12.334 1.00 0.00 H new ATOM 1001 N LYS A 66 2.537 24.948 -8.639 1.00 0.00 N ATOM 1002 CA LYS A 66 2.460 23.612 -8.061 1.00 0.00 C ATOM 1003 C LYS A 66 3.799 22.890 -8.180 1.00 0.00 C ATOM 1004 O LYS A 66 3.854 21.723 -8.568 1.00 0.00 O ATOM 1005 CB LYS A 66 1.365 22.797 -8.753 1.00 0.00 C ATOM 1006 CG LYS A 66 0.966 21.545 -7.991 1.00 0.00 C ATOM 1007 CD LYS A 66 -0.135 21.833 -6.984 1.00 0.00 C ATOM 1008 CE LYS A 66 -0.217 20.747 -5.922 1.00 0.00 C ATOM 1009 NZ LYS A 66 -0.796 19.486 -6.461 1.00 0.00 N ATOM 0 H LYS A 66 2.290 24.994 -9.628 1.00 0.00 H new ATOM 0 HA LYS A 66 2.215 23.714 -7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.485 23.426 -8.887 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.709 22.513 -9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.628 20.783 -8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.836 21.139 -7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.049 22.796 -6.508 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.091 21.911 -7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.780 20.549 -5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.826 21.099 -5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.548 18.694 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.831 19.574 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.415 19.308 -7.412 1.00 0.00 H new ATOM 1023 N THR A 67 4.876 23.591 -7.843 1.00 0.00 N ATOM 1024 CA THR A 67 6.214 23.017 -7.912 1.00 0.00 C ATOM 1025 C THR A 67 7.007 23.316 -6.644 1.00 0.00 C ATOM 1026 O THR A 67 7.659 24.355 -6.539 1.00 0.00 O ATOM 1027 CB THR A 67 6.993 23.552 -9.129 1.00 0.00 C ATOM 1028 OG1 THR A 67 6.214 23.390 -10.319 1.00 0.00 O ATOM 1029 CG2 THR A 67 8.321 22.826 -9.283 1.00 0.00 C ATOM 0 H THR A 67 4.848 24.558 -7.519 1.00 0.00 H new ATOM 0 HA THR A 67 6.090 21.939 -8.014 1.00 0.00 H new ATOM 0 HB THR A 67 7.193 24.611 -8.968 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.802 23.425 -11.102 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.853 23.221 -10.149 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.924 22.976 -8.387 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.139 21.761 -9.424 1.00 0.00 H new ATOM 1037 N SER A 68 6.947 22.399 -5.684 1.00 0.00 N ATOM 1038 CA SER A 68 7.657 22.566 -4.422 1.00 0.00 C ATOM 1039 C SER A 68 9.068 23.097 -4.658 1.00 0.00 C ATOM 1040 O SER A 68 9.935 22.384 -5.161 1.00 0.00 O ATOM 1041 CB SER A 68 7.720 21.237 -3.667 1.00 0.00 C ATOM 1042 OG SER A 68 7.745 21.446 -2.266 1.00 0.00 O ATOM 0 H SER A 68 6.414 21.533 -5.756 1.00 0.00 H new ATOM 0 HA SER A 68 7.110 23.292 -3.820 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.858 20.624 -3.931 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.609 20.684 -3.971 1.00 0.00 H new ATOM 0 HG SER A 68 7.784 20.581 -1.807 1.00 0.00 H new ATOM 1048 N GLY A 69 9.289 24.355 -4.291 1.00 0.00 N ATOM 1049 CA GLY A 69 10.596 24.961 -4.471 1.00 0.00 C ATOM 1050 C GLY A 69 11.702 24.160 -3.814 1.00 0.00 C ATOM 1051 O GLY A 69 11.545 23.630 -2.714 1.00 0.00 O ATOM 0 H GLY A 69 8.587 24.966 -3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.805 25.057 -5.536 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.586 25.969 -4.056 1.00 0.00 H new ATOM 1055 N PRO A 70 12.852 24.062 -4.497 1.00 0.00 N ATOM 1056 CA PRO A 70 14.011 23.319 -3.993 1.00 0.00 C ATOM 1057 C PRO A 70 14.665 24.007 -2.798 1.00 0.00 C ATOM 1058 O PRO A 70 15.578 24.817 -2.959 1.00 0.00 O ATOM 1059 CB PRO A 70 14.968 23.300 -5.188 1.00 0.00 C ATOM 1060 CG PRO A 70 14.594 24.497 -5.992 1.00 0.00 C ATOM 1061 CD PRO A 70 13.110 24.668 -5.814 1.00 0.00 C ATOM 0 HA PRO A 70 13.735 22.327 -3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.007 23.350 -4.864 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.859 22.384 -5.768 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.133 25.381 -5.650 1.00 0.00 H new ATOM 0 HG3 PRO A 70 14.847 24.356 -7.043 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.821 25.719 -5.836 1.00 0.00 H new ATOM 0 HD3 PRO A 70 12.550 24.167 -6.604 1.00 0.00 H new ATOM 1069 N SER A 71 14.192 23.678 -1.601 1.00 0.00 N ATOM 1070 CA SER A 71 14.729 24.267 -0.379 1.00 0.00 C ATOM 1071 C SER A 71 14.789 23.233 0.741 1.00 0.00 C ATOM 1072 O SER A 71 14.013 22.277 0.762 1.00 0.00 O ATOM 1073 CB SER A 71 13.873 25.458 0.057 1.00 0.00 C ATOM 1074 OG SER A 71 14.257 25.919 1.340 1.00 0.00 O ATOM 0 H SER A 71 13.438 23.007 -1.450 1.00 0.00 H new ATOM 0 HA SER A 71 15.742 24.613 -0.586 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.972 26.266 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.822 25.169 0.070 1.00 0.00 H new ATOM 0 HG SER A 71 13.696 26.681 1.595 1.00 0.00 H new ATOM 1080 N SER A 72 15.717 23.431 1.671 1.00 0.00 N ATOM 1081 CA SER A 72 15.883 22.514 2.793 1.00 0.00 C ATOM 1082 C SER A 72 16.857 23.083 3.820 1.00 0.00 C ATOM 1083 O SER A 72 17.703 23.916 3.496 1.00 0.00 O ATOM 1084 CB SER A 72 16.382 21.155 2.300 1.00 0.00 C ATOM 1085 OG SER A 72 16.088 20.133 3.236 1.00 0.00 O ATOM 0 H SER A 72 16.366 24.218 1.670 1.00 0.00 H new ATOM 0 HA SER A 72 14.912 22.385 3.271 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.918 20.920 1.342 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.458 21.199 2.131 1.00 0.00 H new ATOM 0 HG SER A 72 16.416 19.274 2.896 1.00 0.00 H new ATOM 1091 N GLY A 73 16.731 22.627 5.063 1.00 0.00 N ATOM 1092 CA GLY A 73 17.606 23.101 6.120 1.00 0.00 C ATOM 1093 C GLY A 73 16.883 23.261 7.442 1.00 0.00 C ATOM 1094 O GLY A 73 15.751 23.742 7.452 1.00 0.00 O ATOM 0 H GLY A 73 16.039 21.938 5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 73 18.433 22.402 6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 73 18.039 24.058 5.828 1.00 0.00 H new TER 1098 GLY A 73 HETATM 1099 ZN ZN A 201 1.142 0.000 -5.997 1.00 0.00 ZN