USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=24 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 Set 1.1: A 71 SER OG : rot 180:sc= -0.0233 USER MOD Set 1.2: A 72 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 33 THR OG1 : rot 160:sc= 0 USER MOD Set 2.2: A 35 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0162) USER MOD Single : A 13 HIS : no HD1:sc= -0.0154 X(o=-0.015,f=-0.023) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.43) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= -0.0134 (180deg=-0.245) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= -0.0122 (180deg=-0.185) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -154:sc= -0.013 (180deg=-0.582) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -138:sc= -2.95 (180deg=-7.3!) USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= -0.0591 (180deg=-0.388) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 56 ASN : amide:sc= -1.77 X(o=-1.8,f=-1.8) USER MOD Single : A 57 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.258) USER MOD Single : A 61 ASN : amide:sc= -0.627 K(o=-0.63,f=-1.9) USER MOD Single : A 63 SER OG : rot -99:sc= 0.487 USER MOD Single : A 65 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 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.755 -33.017 6.325 1.00 0.00 N ATOM 2 CA GLY A 1 -4.989 -33.553 6.870 1.00 0.00 C ATOM 3 C GLY A 1 -6.089 -32.513 6.944 1.00 0.00 C ATOM 4 O GLY A 1 -6.312 -31.766 5.992 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.034 -33.766 6.295 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.926 -32.662 5.362 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.419 -32.238 6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.323 -34.387 6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.800 -33.949 7.868 1.00 0.00 H new ATOM 8 N SER A 2 -6.781 -32.466 8.078 1.00 0.00 N ATOM 9 CA SER A 2 -7.868 -31.514 8.271 1.00 0.00 C ATOM 10 C SER A 2 -7.325 -30.134 8.629 1.00 0.00 C ATOM 11 O SER A 2 -6.333 -30.012 9.348 1.00 0.00 O ATOM 12 CB SER A 2 -8.814 -32.003 9.370 1.00 0.00 C ATOM 13 OG SER A 2 -8.128 -32.160 10.600 1.00 0.00 O ATOM 0 H SER A 2 -6.608 -33.076 8.877 1.00 0.00 H new ATOM 0 HA SER A 2 -8.420 -31.436 7.334 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.631 -31.292 9.494 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.260 -32.953 9.075 1.00 0.00 H new ATOM 0 HG SER A 2 -8.754 -32.471 11.286 1.00 0.00 H new ATOM 19 N SER A 3 -7.983 -29.096 8.122 1.00 0.00 N ATOM 20 CA SER A 3 -7.565 -27.724 8.385 1.00 0.00 C ATOM 21 C SER A 3 -8.639 -26.967 9.160 1.00 0.00 C ATOM 22 O SER A 3 -8.365 -26.365 10.197 1.00 0.00 O ATOM 23 CB SER A 3 -7.262 -27.000 7.071 1.00 0.00 C ATOM 24 OG SER A 3 -6.312 -27.716 6.302 1.00 0.00 O ATOM 0 H SER A 3 -8.807 -29.179 7.527 1.00 0.00 H new ATOM 0 HA SER A 3 -6.660 -27.756 8.991 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.182 -26.879 6.498 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.884 -26.000 7.282 1.00 0.00 H new ATOM 0 HG SER A 3 -6.137 -27.234 5.467 1.00 0.00 H new ATOM 30 N GLY A 4 -9.866 -27.003 8.647 1.00 0.00 N ATOM 31 CA GLY A 4 -10.964 -26.317 9.302 1.00 0.00 C ATOM 32 C GLY A 4 -11.134 -24.893 8.811 1.00 0.00 C ATOM 33 O GLY A 4 -11.062 -23.946 9.594 1.00 0.00 O ATOM 0 H GLY A 4 -10.118 -27.495 7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.888 -26.870 9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.793 -26.309 10.378 1.00 0.00 H new ATOM 37 N SER A 5 -11.360 -24.741 7.510 1.00 0.00 N ATOM 38 CA SER A 5 -11.535 -23.422 6.914 1.00 0.00 C ATOM 39 C SER A 5 -12.983 -22.956 7.041 1.00 0.00 C ATOM 40 O SER A 5 -13.898 -23.589 6.515 1.00 0.00 O ATOM 41 CB SER A 5 -11.123 -23.445 5.441 1.00 0.00 C ATOM 42 OG SER A 5 -9.713 -23.446 5.306 1.00 0.00 O ATOM 0 H SER A 5 -11.426 -25.515 6.849 1.00 0.00 H new ATOM 0 HA SER A 5 -10.897 -22.721 7.451 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.538 -24.329 4.958 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.540 -22.577 4.930 1.00 0.00 H new ATOM 0 HG SER A 5 -9.475 -23.463 4.355 1.00 0.00 H new ATOM 48 N SER A 6 -13.181 -21.846 7.744 1.00 0.00 N ATOM 49 CA SER A 6 -14.517 -21.296 7.945 1.00 0.00 C ATOM 50 C SER A 6 -14.447 -19.812 8.292 1.00 0.00 C ATOM 51 O SER A 6 -13.499 -19.356 8.931 1.00 0.00 O ATOM 52 CB SER A 6 -15.243 -22.058 9.056 1.00 0.00 C ATOM 53 OG SER A 6 -16.648 -21.948 8.914 1.00 0.00 O ATOM 0 H SER A 6 -12.434 -21.309 8.184 1.00 0.00 H new ATOM 0 HA SER A 6 -15.073 -21.408 7.014 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.953 -23.108 9.031 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.941 -21.667 10.027 1.00 0.00 H new ATOM 0 HG SER A 6 -17.089 -22.444 9.634 1.00 0.00 H new ATOM 59 N GLY A 7 -15.459 -19.063 7.866 1.00 0.00 N ATOM 60 CA GLY A 7 -15.495 -17.638 8.140 1.00 0.00 C ATOM 61 C GLY A 7 -16.415 -16.889 7.198 1.00 0.00 C ATOM 62 O GLY A 7 -16.511 -17.221 6.016 1.00 0.00 O ATOM 0 H GLY A 7 -16.255 -19.417 7.336 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.823 -17.477 9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.487 -17.230 8.059 1.00 0.00 H new ATOM 66 N LYS A 8 -17.096 -15.874 7.720 1.00 0.00 N ATOM 67 CA LYS A 8 -18.014 -15.075 6.918 1.00 0.00 C ATOM 68 C LYS A 8 -17.724 -13.586 7.080 1.00 0.00 C ATOM 69 O LYS A 8 -17.898 -13.024 8.161 1.00 0.00 O ATOM 70 CB LYS A 8 -19.462 -15.369 7.318 1.00 0.00 C ATOM 71 CG LYS A 8 -20.472 -15.042 6.232 1.00 0.00 C ATOM 72 CD LYS A 8 -20.552 -16.149 5.194 1.00 0.00 C ATOM 73 CE LYS A 8 -21.114 -15.638 3.876 1.00 0.00 C ATOM 74 NZ LYS A 8 -22.600 -15.730 3.834 1.00 0.00 N ATOM 0 H LYS A 8 -17.029 -15.586 8.696 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.870 -15.344 5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.551 -16.423 7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -19.706 -14.797 8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.454 -14.891 6.681 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.196 -14.106 5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -19.559 -16.567 5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -21.180 -16.957 5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.810 -14.602 3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.691 -16.214 3.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.944 -15.372 2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -22.890 -16.722 3.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -23.005 -15.160 4.604 1.00 0.00 H new ATOM 88 N ARG A 9 -17.281 -12.954 5.998 1.00 0.00 N ATOM 89 CA ARG A 9 -16.967 -11.530 6.020 1.00 0.00 C ATOM 90 C ARG A 9 -17.997 -10.733 5.225 1.00 0.00 C ATOM 91 O ARG A 9 -18.667 -11.272 4.345 1.00 0.00 O ATOM 92 CB ARG A 9 -15.568 -11.286 5.452 1.00 0.00 C ATOM 93 CG ARG A 9 -14.465 -11.986 6.228 1.00 0.00 C ATOM 94 CD ARG A 9 -13.269 -12.294 5.340 1.00 0.00 C ATOM 95 NE ARG A 9 -12.067 -12.578 6.120 1.00 0.00 N ATOM 96 CZ ARG A 9 -11.779 -13.775 6.617 1.00 0.00 C ATOM 97 NH1 ARG A 9 -12.602 -14.795 6.417 1.00 0.00 N ATOM 98 NH2 ARG A 9 -10.666 -13.955 7.317 1.00 0.00 N ATOM 0 H ARG A 9 -17.131 -13.405 5.096 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.995 -11.194 7.056 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.542 -11.623 4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.370 -10.214 5.443 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.149 -11.358 7.061 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.850 -12.912 6.655 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.500 -13.149 4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.081 -11.448 4.679 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.413 -11.815 6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.459 -14.661 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.378 -15.714 6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.030 -13.173 7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.446 -14.875 7.698 1.00 0.00 H new ATOM 112 N GLN A 10 -18.118 -9.448 5.543 1.00 0.00 N ATOM 113 CA GLN A 10 -19.067 -8.578 4.859 1.00 0.00 C ATOM 114 C GLN A 10 -18.347 -7.628 3.908 1.00 0.00 C ATOM 115 O GLN A 10 -17.443 -6.896 4.311 1.00 0.00 O ATOM 116 CB GLN A 10 -19.883 -7.779 5.876 1.00 0.00 C ATOM 117 CG GLN A 10 -20.684 -8.649 6.832 1.00 0.00 C ATOM 118 CD GLN A 10 -21.536 -7.836 7.786 1.00 0.00 C ATOM 119 OE1 GLN A 10 -22.687 -7.515 7.490 1.00 0.00 O ATOM 120 NE2 GLN A 10 -20.973 -7.497 8.941 1.00 0.00 N ATOM 0 H GLN A 10 -17.571 -8.987 6.270 1.00 0.00 H new ATOM 0 HA GLN A 10 -19.741 -9.205 4.275 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -19.209 -7.145 6.453 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -20.565 -7.117 5.342 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -21.325 -9.318 6.258 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -20.001 -9.276 7.405 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -20.016 -7.784 9.146 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -21.498 -6.949 9.623 1.00 0.00 H new ATOM 129 N LYS A 11 -18.753 -7.645 2.643 1.00 0.00 N ATOM 130 CA LYS A 11 -18.148 -6.785 1.633 1.00 0.00 C ATOM 131 C LYS A 11 -18.768 -5.391 1.663 1.00 0.00 C ATOM 132 O LYS A 11 -19.689 -5.095 0.901 1.00 0.00 O ATOM 133 CB LYS A 11 -18.317 -7.400 0.242 1.00 0.00 C ATOM 134 CG LYS A 11 -17.568 -8.708 0.060 1.00 0.00 C ATOM 135 CD LYS A 11 -18.376 -9.889 0.573 1.00 0.00 C ATOM 136 CE LYS A 11 -17.938 -11.190 -0.082 1.00 0.00 C ATOM 137 NZ LYS A 11 -18.461 -11.316 -1.471 1.00 0.00 N ATOM 0 H LYS A 11 -19.499 -8.246 2.293 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.085 -6.696 1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -19.377 -7.569 0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -17.972 -6.686 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.339 -8.854 -0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.616 -8.660 0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.261 -9.968 1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.435 -9.720 0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.849 -11.240 -0.098 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.287 -12.033 0.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.272 -12.274 -1.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -19.486 -11.142 -1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.991 -10.620 -2.084 1.00 0.00 H new ATOM 151 N ILE A 12 -18.257 -4.541 2.547 1.00 0.00 N ATOM 152 CA ILE A 12 -18.759 -3.178 2.673 1.00 0.00 C ATOM 153 C ILE A 12 -17.914 -2.203 1.860 1.00 0.00 C ATOM 154 O ILE A 12 -16.741 -2.460 1.585 1.00 0.00 O ATOM 155 CB ILE A 12 -18.779 -2.720 4.143 1.00 0.00 C ATOM 156 CG1 ILE A 12 -17.360 -2.703 4.715 1.00 0.00 C ATOM 157 CG2 ILE A 12 -19.677 -3.629 4.969 1.00 0.00 C ATOM 158 CD1 ILE A 12 -16.635 -1.394 4.493 1.00 0.00 C ATOM 0 H ILE A 12 -17.496 -4.772 3.186 1.00 0.00 H new ATOM 0 HA ILE A 12 -19.778 -3.180 2.287 1.00 0.00 H new ATOM 0 HB ILE A 12 -19.180 -1.707 4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -17.406 -2.907 5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -16.784 -3.510 4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -19.681 -3.292 6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -20.692 -3.595 4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -19.303 -4.652 4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -15.636 -1.454 4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -16.558 -1.198 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -17.189 -0.586 4.971 1.00 0.00 H new ATOM 170 N HIS A 13 -18.517 -1.081 1.479 1.00 0.00 N ATOM 171 CA HIS A 13 -17.819 -0.065 0.699 1.00 0.00 C ATOM 172 C HIS A 13 -18.537 1.278 0.790 1.00 0.00 C ATOM 173 O HIS A 13 -19.762 1.347 0.687 1.00 0.00 O ATOM 174 CB HIS A 13 -17.709 -0.500 -0.762 1.00 0.00 C ATOM 175 CG HIS A 13 -19.035 -0.715 -1.424 1.00 0.00 C ATOM 176 ND1 HIS A 13 -19.645 0.237 -2.215 1.00 0.00 N ATOM 177 CD2 HIS A 13 -19.869 -1.781 -1.412 1.00 0.00 C ATOM 178 CE1 HIS A 13 -20.797 -0.234 -2.658 1.00 0.00 C ATOM 179 NE2 HIS A 13 -20.956 -1.457 -2.186 1.00 0.00 N ATOM 0 H HIS A 13 -19.487 -0.853 1.698 1.00 0.00 H new ATOM 0 HA HIS A 13 -16.817 0.050 1.112 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -17.153 0.256 -1.317 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -17.132 -1.423 -0.815 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -19.709 -2.713 -0.891 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -21.491 0.292 -3.297 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -21.756 -2.063 -2.367 1.00 0.00 H new ATOM 187 N LEU A 14 -17.767 2.343 0.986 1.00 0.00 N ATOM 188 CA LEU A 14 -18.330 3.685 1.092 1.00 0.00 C ATOM 189 C LEU A 14 -17.962 4.527 -0.126 1.00 0.00 C ATOM 190 O LEU A 14 -16.796 4.861 -0.333 1.00 0.00 O ATOM 191 CB LEU A 14 -17.834 4.368 2.367 1.00 0.00 C ATOM 192 CG LEU A 14 -18.498 5.700 2.717 1.00 0.00 C ATOM 193 CD1 LEU A 14 -18.474 5.930 4.220 1.00 0.00 C ATOM 194 CD2 LEU A 14 -17.810 6.846 1.990 1.00 0.00 C ATOM 0 H LEU A 14 -16.752 2.303 1.075 1.00 0.00 H new ATOM 0 HA LEU A 14 -19.415 3.595 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.978 3.683 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.761 4.534 2.273 1.00 0.00 H new ATOM 0 HG LEU A 14 -19.538 5.662 2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -18.951 6.883 4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -19.012 5.125 4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -17.442 5.948 4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -18.296 7.786 2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.761 6.886 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -17.880 6.688 0.914 1.00 0.00 H new ATOM 206 N GLY A 15 -18.966 4.869 -0.927 1.00 0.00 N ATOM 207 CA GLY A 15 -18.728 5.672 -2.113 1.00 0.00 C ATOM 208 C GLY A 15 -17.778 5.001 -3.086 1.00 0.00 C ATOM 209 O GLY A 15 -17.115 4.023 -2.741 1.00 0.00 O ATOM 0 H GLY A 15 -19.940 4.605 -0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.677 5.867 -2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.319 6.638 -1.818 1.00 0.00 H new ATOM 213 N ASP A 16 -17.713 5.527 -4.304 1.00 0.00 N ATOM 214 CA ASP A 16 -16.837 4.973 -5.330 1.00 0.00 C ATOM 215 C ASP A 16 -15.564 5.803 -5.464 1.00 0.00 C ATOM 216 O ASP A 16 -15.321 6.420 -6.502 1.00 0.00 O ATOM 217 CB ASP A 16 -17.566 4.912 -6.673 1.00 0.00 C ATOM 218 CG ASP A 16 -18.483 3.710 -6.781 1.00 0.00 C ATOM 219 OD1 ASP A 16 -19.313 3.514 -5.868 1.00 0.00 O ATOM 220 OD2 ASP A 16 -18.371 2.966 -7.777 1.00 0.00 O ATOM 0 H ASP A 16 -18.256 6.336 -4.605 1.00 0.00 H new ATOM 0 HA ASP A 16 -16.559 3.963 -5.030 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.149 5.823 -6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -16.833 4.880 -7.479 1.00 0.00 H new ATOM 225 N ARG A 17 -14.757 5.815 -4.409 1.00 0.00 N ATOM 226 CA ARG A 17 -13.511 6.571 -4.408 1.00 0.00 C ATOM 227 C ARG A 17 -12.309 5.638 -4.303 1.00 0.00 C ATOM 228 O ARG A 17 -11.358 5.914 -3.572 1.00 0.00 O ATOM 229 CB ARG A 17 -13.497 7.571 -3.250 1.00 0.00 C ATOM 230 CG ARG A 17 -14.416 8.762 -3.463 1.00 0.00 C ATOM 231 CD ARG A 17 -13.961 9.969 -2.656 1.00 0.00 C ATOM 232 NE ARG A 17 -12.882 10.695 -3.320 1.00 0.00 N ATOM 233 CZ ARG A 17 -12.476 11.906 -2.953 1.00 0.00 C ATOM 234 NH1 ARG A 17 -13.057 12.522 -1.932 1.00 0.00 N ATOM 235 NH2 ARG A 17 -11.488 12.502 -3.607 1.00 0.00 N ATOM 0 H ARG A 17 -14.944 5.309 -3.543 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.445 7.116 -5.350 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.788 7.057 -2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.478 7.930 -3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.440 9.019 -4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.433 8.494 -3.177 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.806 10.639 -2.499 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.626 9.642 -1.672 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.414 10.248 -4.109 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.817 12.066 -1.427 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.744 13.451 -1.652 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.039 12.031 -4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.177 13.432 -3.325 1.00 0.00 H new ATOM 249 N SER A 18 -12.359 4.532 -5.038 1.00 0.00 N ATOM 250 CA SER A 18 -11.276 3.555 -5.025 1.00 0.00 C ATOM 251 C SER A 18 -10.667 3.399 -6.415 1.00 0.00 C ATOM 252 O SER A 18 -11.384 3.263 -7.405 1.00 0.00 O ATOM 253 CB SER A 18 -11.787 2.202 -4.525 1.00 0.00 C ATOM 254 OG SER A 18 -12.245 2.292 -3.187 1.00 0.00 O ATOM 0 H SER A 18 -13.138 4.290 -5.650 1.00 0.00 H new ATOM 0 HA SER A 18 -10.503 3.917 -4.347 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.597 1.856 -5.167 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.990 1.462 -4.591 1.00 0.00 H new ATOM 0 HG SER A 18 -12.568 1.415 -2.892 1.00 0.00 H new ATOM 260 N GLN A 19 -9.340 3.422 -6.478 1.00 0.00 N ATOM 261 CA GLN A 19 -8.634 3.284 -7.747 1.00 0.00 C ATOM 262 C GLN A 19 -7.683 2.092 -7.714 1.00 0.00 C ATOM 263 O GLN A 19 -7.270 1.642 -6.645 1.00 0.00 O ATOM 264 CB GLN A 19 -7.856 4.563 -8.063 1.00 0.00 C ATOM 265 CG GLN A 19 -7.485 4.702 -9.530 1.00 0.00 C ATOM 266 CD GLN A 19 -8.698 4.768 -10.436 1.00 0.00 C ATOM 267 OE1 GLN A 19 -9.681 5.443 -10.128 1.00 0.00 O ATOM 268 NE2 GLN A 19 -8.637 4.065 -11.561 1.00 0.00 N ATOM 0 H GLN A 19 -8.732 3.535 -5.667 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.374 3.114 -8.529 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.453 5.425 -7.765 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.946 4.583 -7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.886 5.603 -9.665 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.862 3.858 -9.825 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.803 3.519 -11.777 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.424 4.071 -12.209 1.00 0.00 H new ATOM 277 N LYS A 20 -7.340 1.583 -8.892 1.00 0.00 N ATOM 278 CA LYS A 20 -6.438 0.443 -9.000 1.00 0.00 C ATOM 279 C LYS A 20 -5.024 0.899 -9.349 1.00 0.00 C ATOM 280 O LYS A 20 -4.826 1.690 -10.271 1.00 0.00 O ATOM 281 CB LYS A 20 -6.945 -0.537 -10.061 1.00 0.00 C ATOM 282 CG LYS A 20 -6.109 -1.800 -10.172 1.00 0.00 C ATOM 283 CD LYS A 20 -6.643 -2.904 -9.275 1.00 0.00 C ATOM 284 CE LYS A 20 -6.184 -4.275 -9.745 1.00 0.00 C ATOM 285 NZ LYS A 20 -6.850 -4.679 -11.014 1.00 0.00 N ATOM 0 H LYS A 20 -7.674 1.942 -9.786 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.411 -0.060 -8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.974 -0.812 -9.828 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.961 -0.036 -11.029 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.102 -2.143 -11.207 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.076 -1.579 -9.902 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.306 -2.738 -8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.732 -2.869 -9.262 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.104 -4.266 -9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.397 -5.014 -8.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.773 -5.709 -11.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.854 -4.409 -10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.390 -4.202 -11.815 1.00 0.00 H new ATOM 299 N CYS A 21 -4.045 0.393 -8.607 1.00 0.00 N ATOM 300 CA CYS A 21 -2.649 0.747 -8.838 1.00 0.00 C ATOM 301 C CYS A 21 -2.132 0.109 -10.124 1.00 0.00 C ATOM 302 O CYS A 21 -2.708 -0.857 -10.625 1.00 0.00 O ATOM 303 CB CYS A 21 -1.787 0.307 -7.654 1.00 0.00 C ATOM 304 SG CYS A 21 -0.047 0.835 -7.764 1.00 0.00 S ATOM 0 H CYS A 21 -4.192 -0.264 -7.840 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.587 1.830 -8.941 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.219 0.705 -6.736 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.822 -0.780 -7.577 1.00 0.00 H new ATOM 309 N SER A 22 -1.041 0.655 -10.652 1.00 0.00 N ATOM 310 CA SER A 22 -0.447 0.141 -11.881 1.00 0.00 C ATOM 311 C SER A 22 0.910 -0.498 -11.602 1.00 0.00 C ATOM 312 O SER A 22 1.370 -1.358 -12.353 1.00 0.00 O ATOM 313 CB SER A 22 -0.293 1.265 -12.907 1.00 0.00 C ATOM 314 OG SER A 22 0.341 0.798 -14.085 1.00 0.00 O ATOM 0 H SER A 22 -0.551 1.453 -10.248 1.00 0.00 H new ATOM 0 HA SER A 22 -1.112 -0.622 -12.286 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.273 1.672 -13.155 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.290 2.079 -12.475 1.00 0.00 H new ATOM 0 HG SER A 22 0.426 1.535 -14.725 1.00 0.00 H new ATOM 320 N LYS A 23 1.546 -0.072 -10.517 1.00 0.00 N ATOM 321 CA LYS A 23 2.850 -0.601 -10.136 1.00 0.00 C ATOM 322 C LYS A 23 2.726 -2.030 -9.615 1.00 0.00 C ATOM 323 O LYS A 23 3.405 -2.938 -10.096 1.00 0.00 O ATOM 324 CB LYS A 23 3.493 0.288 -9.068 1.00 0.00 C ATOM 325 CG LYS A 23 4.780 -0.281 -8.497 1.00 0.00 C ATOM 326 CD LYS A 23 5.984 0.115 -9.335 1.00 0.00 C ATOM 327 CE LYS A 23 7.283 -0.362 -8.704 1.00 0.00 C ATOM 328 NZ LYS A 23 7.563 0.333 -7.417 1.00 0.00 N ATOM 0 H LYS A 23 1.179 0.639 -9.885 1.00 0.00 H new ATOM 0 HA LYS A 23 3.484 -0.609 -11.023 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.699 1.268 -9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.781 0.439 -8.257 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.914 0.074 -7.475 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.709 -1.368 -8.450 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.887 -0.307 -10.335 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.010 1.199 -9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.230 -1.437 -8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.107 -0.190 -9.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.551 0.164 -7.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.406 1.355 -7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.928 -0.033 -6.679 1.00 0.00 H new ATOM 342 N CYS A 24 1.854 -2.223 -8.631 1.00 0.00 N ATOM 343 CA CYS A 24 1.640 -3.541 -8.046 1.00 0.00 C ATOM 344 C CYS A 24 0.306 -4.126 -8.499 1.00 0.00 C ATOM 345 O CYS A 24 0.228 -5.289 -8.894 1.00 0.00 O ATOM 346 CB CYS A 24 1.681 -3.457 -6.519 1.00 0.00 C ATOM 347 SG CYS A 24 0.234 -2.634 -5.780 1.00 0.00 S ATOM 0 H CYS A 24 1.284 -1.483 -8.222 1.00 0.00 H new ATOM 0 HA CYS A 24 2.440 -4.198 -8.388 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.759 -4.465 -6.112 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.582 -2.922 -6.219 1.00 0.00 H new ATOM 352 N GLY A 25 -0.743 -3.311 -8.437 1.00 0.00 N ATOM 353 CA GLY A 25 -2.060 -3.765 -8.844 1.00 0.00 C ATOM 354 C GLY A 25 -2.960 -4.067 -7.661 1.00 0.00 C ATOM 355 O GLY A 25 -3.601 -5.117 -7.612 1.00 0.00 O ATOM 0 H GLY A 25 -0.704 -2.345 -8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.527 -3.002 -9.467 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.959 -4.660 -9.458 1.00 0.00 H new ATOM 359 N ILE A 26 -3.007 -3.144 -6.706 1.00 0.00 N ATOM 360 CA ILE A 26 -3.834 -3.317 -5.518 1.00 0.00 C ATOM 361 C ILE A 26 -4.897 -2.227 -5.425 1.00 0.00 C ATOM 362 O ILE A 26 -4.759 -1.159 -6.022 1.00 0.00 O ATOM 363 CB ILE A 26 -2.985 -3.302 -4.234 1.00 0.00 C ATOM 364 CG1 ILE A 26 -3.811 -3.797 -3.044 1.00 0.00 C ATOM 365 CG2 ILE A 26 -2.451 -1.902 -3.969 1.00 0.00 C ATOM 366 CD1 ILE A 26 -3.035 -3.840 -1.746 1.00 0.00 C ATOM 0 H ILE A 26 -2.483 -2.270 -6.732 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.320 -4.288 -5.610 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.137 -3.974 -4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.678 -3.148 -2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.190 -4.795 -3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.853 -1.907 -3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.832 -1.584 -4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.285 -1.211 -3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.683 -4.200 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.183 -4.512 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.679 -2.839 -1.502 1.00 0.00 H new ATOM 378 N ILE A 27 -5.955 -2.504 -4.671 1.00 0.00 N ATOM 379 CA ILE A 27 -7.040 -1.546 -4.497 1.00 0.00 C ATOM 380 C ILE A 27 -6.747 -0.586 -3.349 1.00 0.00 C ATOM 381 O ILE A 27 -6.533 -1.009 -2.212 1.00 0.00 O ATOM 382 CB ILE A 27 -8.380 -2.255 -4.230 1.00 0.00 C ATOM 383 CG1 ILE A 27 -8.762 -3.139 -5.419 1.00 0.00 C ATOM 384 CG2 ILE A 27 -9.473 -1.235 -3.949 1.00 0.00 C ATOM 385 CD1 ILE A 27 -8.913 -2.374 -6.716 1.00 0.00 C ATOM 0 H ILE A 27 -6.084 -3.384 -4.171 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.116 -0.983 -5.427 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.268 -2.890 -3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -8.002 -3.910 -5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.699 -3.649 -5.196 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.414 -1.752 -3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.203 -0.645 -3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.586 -0.576 -4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.184 -3.063 -7.516 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.693 -1.621 -6.606 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.970 -1.886 -6.962 1.00 0.00 H new ATOM 397 N PHE A 28 -6.741 0.707 -3.653 1.00 0.00 N ATOM 398 CA PHE A 28 -6.476 1.728 -2.646 1.00 0.00 C ATOM 399 C PHE A 28 -7.339 2.964 -2.883 1.00 0.00 C ATOM 400 O PHE A 28 -7.989 3.089 -3.921 1.00 0.00 O ATOM 401 CB PHE A 28 -4.996 2.116 -2.660 1.00 0.00 C ATOM 402 CG PHE A 28 -4.586 2.874 -3.890 1.00 0.00 C ATOM 403 CD1 PHE A 28 -4.683 4.255 -3.932 1.00 0.00 C ATOM 404 CD2 PHE A 28 -4.104 2.206 -5.004 1.00 0.00 C ATOM 405 CE1 PHE A 28 -4.308 4.956 -5.063 1.00 0.00 C ATOM 406 CE2 PHE A 28 -3.726 2.900 -6.137 1.00 0.00 C ATOM 407 CZ PHE A 28 -3.828 4.277 -6.167 1.00 0.00 C ATOM 0 H PHE A 28 -6.917 1.073 -4.589 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.727 1.313 -1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.779 2.722 -1.780 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.391 1.213 -2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.056 4.790 -3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.023 1.129 -4.986 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.390 6.033 -5.084 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.351 2.367 -6.998 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.533 4.822 -7.051 1.00 0.00 H new ATOM 417 N ILE A 29 -7.340 3.872 -1.913 1.00 0.00 N ATOM 418 CA ILE A 29 -8.123 5.097 -2.016 1.00 0.00 C ATOM 419 C ILE A 29 -7.278 6.244 -2.562 1.00 0.00 C ATOM 420 O ILE A 29 -6.149 6.460 -2.123 1.00 0.00 O ATOM 421 CB ILE A 29 -8.707 5.509 -0.652 1.00 0.00 C ATOM 422 CG1 ILE A 29 -9.574 4.383 -0.084 1.00 0.00 C ATOM 423 CG2 ILE A 29 -9.515 6.791 -0.787 1.00 0.00 C ATOM 424 CD1 ILE A 29 -10.786 4.067 -0.933 1.00 0.00 C ATOM 0 H ILE A 29 -6.808 3.783 -1.047 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.942 4.891 -2.705 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.884 5.693 0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.967 3.484 0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.904 4.659 0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.921 7.069 0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.871 7.590 -1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.333 6.633 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.354 3.260 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.415 4.954 -1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.463 3.760 -1.928 1.00 0.00 H new ATOM 436 N ARG A 30 -7.835 6.978 -3.520 1.00 0.00 N ATOM 437 CA ARG A 30 -7.134 8.104 -4.125 1.00 0.00 C ATOM 438 C ARG A 30 -7.824 9.421 -3.784 1.00 0.00 C ATOM 439 O ARG A 30 -8.984 9.437 -3.371 1.00 0.00 O ATOM 440 CB ARG A 30 -7.063 7.931 -5.643 1.00 0.00 C ATOM 441 CG ARG A 30 -8.424 7.906 -6.318 1.00 0.00 C ATOM 442 CD ARG A 30 -8.936 9.311 -6.592 1.00 0.00 C ATOM 443 NE ARG A 30 -10.094 9.308 -7.483 1.00 0.00 N ATOM 444 CZ ARG A 30 -10.992 10.286 -7.525 1.00 0.00 C ATOM 445 NH1 ARG A 30 -10.866 11.340 -6.731 1.00 0.00 N ATOM 446 NH2 ARG A 30 -12.018 10.210 -8.362 1.00 0.00 N ATOM 0 H ARG A 30 -8.770 6.813 -3.894 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.122 8.129 -3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.472 8.744 -6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.537 7.004 -5.870 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.356 7.353 -7.255 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.135 7.375 -5.685 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.205 9.789 -5.650 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.139 9.907 -7.036 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.220 8.511 -8.107 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.078 11.401 -6.086 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.557 12.090 -6.765 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.118 9.400 -8.974 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.707 10.961 -8.394 1.00 0.00 H new ATOM 460 N ARG A 31 -7.103 10.524 -3.959 1.00 0.00 N ATOM 461 CA ARG A 31 -7.645 11.845 -3.668 1.00 0.00 C ATOM 462 C ARG A 31 -7.485 12.775 -4.868 1.00 0.00 C ATOM 463 O ARG A 31 -6.598 12.584 -5.700 1.00 0.00 O ATOM 464 CB ARG A 31 -6.950 12.448 -2.446 1.00 0.00 C ATOM 465 CG ARG A 31 -5.502 12.833 -2.697 1.00 0.00 C ATOM 466 CD ARG A 31 -4.875 13.475 -1.470 1.00 0.00 C ATOM 467 NE ARG A 31 -3.513 13.935 -1.727 1.00 0.00 N ATOM 468 CZ ARG A 31 -2.442 13.155 -1.627 1.00 0.00 C ATOM 469 NH1 ARG A 31 -2.575 11.883 -1.277 1.00 0.00 N ATOM 470 NH2 ARG A 31 -1.236 13.647 -1.878 1.00 0.00 N ATOM 0 H ARG A 31 -6.142 10.528 -4.301 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.708 11.734 -3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.501 13.331 -2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.990 11.731 -1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.932 11.947 -2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.449 13.524 -3.538 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.487 14.318 -1.149 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.866 12.757 -0.650 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.376 14.909 -1.998 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.501 11.501 -1.084 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.751 11.286 -1.201 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.130 14.625 -2.148 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.414 13.047 -1.801 1.00 0.00 H new ATOM 484 N SER A 32 -8.349 13.782 -4.950 1.00 0.00 N ATOM 485 CA SER A 32 -8.306 14.738 -6.049 1.00 0.00 C ATOM 486 C SER A 32 -7.571 16.010 -5.635 1.00 0.00 C ATOM 487 O SER A 32 -8.186 16.982 -5.196 1.00 0.00 O ATOM 488 CB SER A 32 -9.723 15.083 -6.510 1.00 0.00 C ATOM 489 OG SER A 32 -9.709 15.705 -7.783 1.00 0.00 O ATOM 0 H SER A 32 -9.087 13.956 -4.268 1.00 0.00 H new ATOM 0 HA SER A 32 -7.764 14.278 -6.876 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.326 14.176 -6.552 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.194 15.745 -5.784 1.00 0.00 H new ATOM 0 HG SER A 32 -10.627 15.914 -8.055 1.00 0.00 H new ATOM 495 N THR A 33 -6.249 15.994 -5.777 1.00 0.00 N ATOM 496 CA THR A 33 -5.428 17.144 -5.417 1.00 0.00 C ATOM 497 C THR A 33 -4.551 17.581 -6.585 1.00 0.00 C ATOM 498 O THR A 33 -4.258 16.791 -7.484 1.00 0.00 O ATOM 499 CB THR A 33 -4.531 16.836 -4.203 1.00 0.00 C ATOM 500 OG1 THR A 33 -3.749 15.664 -4.457 1.00 0.00 O ATOM 501 CG2 THR A 33 -5.369 16.631 -2.950 1.00 0.00 C ATOM 0 H THR A 33 -5.724 15.198 -6.139 1.00 0.00 H new ATOM 0 HA THR A 33 -6.112 17.952 -5.158 1.00 0.00 H new ATOM 0 HB THR A 33 -3.868 17.687 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.975 15.650 -3.856 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.714 16.415 -2.106 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.941 17.535 -2.743 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.053 15.796 -3.102 1.00 0.00 H new ATOM 509 N LEU A 34 -4.133 18.841 -6.566 1.00 0.00 N ATOM 510 CA LEU A 34 -3.288 19.384 -7.624 1.00 0.00 C ATOM 511 C LEU A 34 -1.881 18.799 -7.549 1.00 0.00 C ATOM 512 O LEU A 34 -0.995 19.367 -6.911 1.00 0.00 O ATOM 513 CB LEU A 34 -3.225 20.909 -7.522 1.00 0.00 C ATOM 514 CG LEU A 34 -4.386 21.672 -8.160 1.00 0.00 C ATOM 515 CD1 LEU A 34 -4.448 21.398 -9.655 1.00 0.00 C ATOM 516 CD2 LEU A 34 -5.702 21.297 -7.492 1.00 0.00 C ATOM 0 H LEU A 34 -4.365 19.507 -5.829 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.726 19.109 -8.583 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.173 21.181 -6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.297 21.246 -7.984 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.218 22.739 -8.014 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.281 21.950 -10.092 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.516 21.717 -10.122 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.592 20.331 -9.824 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.517 21.850 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.876 20.227 -7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.656 21.545 -6.432 1.00 0.00 H new ATOM 528 N SER A 35 -1.682 17.662 -8.208 1.00 0.00 N ATOM 529 CA SER A 35 -0.383 17.000 -8.215 1.00 0.00 C ATOM 530 C SER A 35 0.234 17.028 -9.610 1.00 0.00 C ATOM 531 O SER A 35 -0.477 17.016 -10.616 1.00 0.00 O ATOM 532 CB SER A 35 -0.522 15.553 -7.736 1.00 0.00 C ATOM 533 OG SER A 35 -0.881 15.502 -6.366 1.00 0.00 O ATOM 0 H SER A 35 -2.404 17.180 -8.744 1.00 0.00 H new ATOM 0 HA SER A 35 0.276 17.540 -7.534 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.277 15.040 -8.332 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.419 15.024 -7.889 1.00 0.00 H new ATOM 0 HG SER A 35 -0.965 14.567 -6.085 1.00 0.00 H new ATOM 539 N ARG A 36 1.561 17.067 -9.663 1.00 0.00 N ATOM 540 CA ARG A 36 2.274 17.098 -10.934 1.00 0.00 C ATOM 541 C ARG A 36 2.124 15.773 -11.675 1.00 0.00 C ATOM 542 O ARG A 36 1.615 15.731 -12.795 1.00 0.00 O ATOM 543 CB ARG A 36 3.756 17.401 -10.704 1.00 0.00 C ATOM 544 CG ARG A 36 4.028 18.841 -10.300 1.00 0.00 C ATOM 545 CD ARG A 36 5.503 19.187 -10.430 1.00 0.00 C ATOM 546 NE ARG A 36 5.976 19.062 -11.806 1.00 0.00 N ATOM 547 CZ ARG A 36 7.034 19.709 -12.281 1.00 0.00 C ATOM 548 NH1 ARG A 36 7.726 20.522 -11.495 1.00 0.00 N ATOM 549 NH2 ARG A 36 7.403 19.543 -13.545 1.00 0.00 N ATOM 0 H ARG A 36 2.164 17.078 -8.841 1.00 0.00 H new ATOM 0 HA ARG A 36 1.839 17.888 -11.546 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.138 16.737 -9.929 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.310 17.178 -11.616 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.439 19.513 -10.925 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.706 18.998 -9.271 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.668 20.206 -10.081 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.087 18.531 -9.785 1.00 0.00 H new ATOM 0 HE ARG A 36 5.466 18.444 -12.437 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.446 20.652 -10.523 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.538 21.018 -11.863 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.874 18.918 -14.153 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.216 20.041 -13.909 1.00 0.00 H new ATOM 563 N ARG A 37 2.572 14.693 -11.043 1.00 0.00 N ATOM 564 CA ARG A 37 2.490 13.367 -11.642 1.00 0.00 C ATOM 565 C ARG A 37 1.091 12.781 -11.475 1.00 0.00 C ATOM 566 O ARG A 37 0.572 12.691 -10.362 1.00 0.00 O ATOM 567 CB ARG A 37 3.524 12.433 -11.011 1.00 0.00 C ATOM 568 CG ARG A 37 4.908 12.551 -11.629 1.00 0.00 C ATOM 569 CD ARG A 37 4.956 11.923 -13.013 1.00 0.00 C ATOM 570 NE ARG A 37 5.932 12.578 -13.879 1.00 0.00 N ATOM 571 CZ ARG A 37 7.246 12.487 -13.706 1.00 0.00 C ATOM 572 NH1 ARG A 37 7.738 11.771 -12.704 1.00 0.00 N ATOM 573 NH2 ARG A 37 8.071 13.113 -14.536 1.00 0.00 N ATOM 0 H ARG A 37 2.996 14.711 -10.115 1.00 0.00 H new ATOM 0 HA ARG A 37 2.701 13.464 -12.707 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.592 12.647 -9.944 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.179 11.404 -11.108 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.190 13.602 -11.695 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.639 12.065 -10.982 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.204 10.865 -12.922 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.969 11.981 -13.471 1.00 0.00 H new ATOM 0 HE ARG A 37 5.586 13.136 -14.660 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.107 11.289 -12.064 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.747 11.703 -12.573 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.696 13.665 -15.308 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.080 13.042 -14.402 1.00 0.00 H new ATOM 587 N LYS A 38 0.484 12.384 -12.588 1.00 0.00 N ATOM 588 CA LYS A 38 -0.854 11.806 -12.567 1.00 0.00 C ATOM 589 C LYS A 38 -0.793 10.287 -12.691 1.00 0.00 C ATOM 590 O LYS A 38 -1.619 9.674 -13.368 1.00 0.00 O ATOM 591 CB LYS A 38 -1.702 12.387 -13.701 1.00 0.00 C ATOM 592 CG LYS A 38 -2.004 13.866 -13.538 1.00 0.00 C ATOM 593 CD LYS A 38 -0.850 14.728 -14.022 1.00 0.00 C ATOM 594 CE LYS A 38 -0.948 15.003 -15.515 1.00 0.00 C ATOM 595 NZ LYS A 38 -0.093 14.077 -16.307 1.00 0.00 N ATOM 0 H LYS A 38 0.898 12.452 -13.517 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.315 12.057 -11.612 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.183 12.233 -14.647 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.641 11.837 -13.759 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.906 14.118 -14.096 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.207 14.083 -12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.846 15.672 -13.477 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.094 14.229 -13.804 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.985 14.903 -15.835 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.650 16.032 -15.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.169 14.530 -17.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.768 13.853 -15.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.618 13.200 -16.501 1.00 0.00 H new ATOM 609 N THR A 39 0.191 9.683 -12.031 1.00 0.00 N ATOM 610 CA THR A 39 0.360 8.236 -12.067 1.00 0.00 C ATOM 611 C THR A 39 -0.287 7.576 -10.855 1.00 0.00 C ATOM 612 O THR A 39 0.037 7.880 -9.706 1.00 0.00 O ATOM 613 CB THR A 39 1.849 7.845 -12.116 1.00 0.00 C ATOM 614 OG1 THR A 39 2.522 8.605 -13.126 1.00 0.00 O ATOM 615 CG2 THR A 39 2.010 6.359 -12.401 1.00 0.00 C ATOM 0 H THR A 39 0.883 10.174 -11.465 1.00 0.00 H new ATOM 0 HA THR A 39 -0.131 7.884 -12.974 1.00 0.00 H new ATOM 0 HB THR A 39 2.291 8.062 -11.143 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.468 8.352 -13.150 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.070 6.107 -12.431 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.522 5.783 -11.615 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.553 6.121 -13.362 1.00 0.00 H new ATOM 623 N PRO A 40 -1.223 6.651 -11.112 1.00 0.00 N ATOM 624 CA PRO A 40 -1.935 5.928 -10.054 1.00 0.00 C ATOM 625 C PRO A 40 -1.031 4.949 -9.313 1.00 0.00 C ATOM 626 O PRO A 40 -0.618 3.930 -9.867 1.00 0.00 O ATOM 627 CB PRO A 40 -3.031 5.176 -10.813 1.00 0.00 C ATOM 628 CG PRO A 40 -2.494 5.017 -12.194 1.00 0.00 C ATOM 629 CD PRO A 40 -1.660 6.239 -12.457 1.00 0.00 C ATOM 0 HA PRO A 40 -2.316 6.601 -9.285 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.238 4.209 -10.355 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.967 5.735 -10.814 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.895 4.110 -12.278 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.303 4.933 -12.920 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.812 6.015 -13.104 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.238 7.021 -12.949 1.00 0.00 H new ATOM 637 N MET A 41 -0.729 5.263 -8.058 1.00 0.00 N ATOM 638 CA MET A 41 0.125 4.408 -7.241 1.00 0.00 C ATOM 639 C MET A 41 -0.412 4.306 -5.817 1.00 0.00 C ATOM 640 O MET A 41 -0.814 5.306 -5.220 1.00 0.00 O ATOM 641 CB MET A 41 1.556 4.950 -7.221 1.00 0.00 C ATOM 642 CG MET A 41 2.347 4.620 -8.476 1.00 0.00 C ATOM 643 SD MET A 41 4.100 5.014 -8.316 1.00 0.00 S ATOM 644 CE MET A 41 4.807 3.372 -8.211 1.00 0.00 C ATOM 0 H MET A 41 -1.062 6.103 -7.584 1.00 0.00 H new ATOM 0 HA MET A 41 0.128 3.411 -7.682 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.524 6.032 -7.095 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.078 4.543 -6.355 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.236 3.560 -8.702 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.930 5.171 -9.319 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.582 3.358 -7.445 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.027 2.656 -7.951 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.242 3.101 -9.173 1.00 0.00 H new ATOM 654 N CYS A 42 -0.416 3.092 -5.277 1.00 0.00 N ATOM 655 CA CYS A 42 -0.904 2.858 -3.923 1.00 0.00 C ATOM 656 C CYS A 42 0.125 3.306 -2.889 1.00 0.00 C ATOM 657 O CYS A 42 1.330 3.180 -3.104 1.00 0.00 O ATOM 658 CB CYS A 42 -1.231 1.377 -3.725 1.00 0.00 C ATOM 659 SG CYS A 42 0.219 0.278 -3.803 1.00 0.00 S ATOM 0 H CYS A 42 -0.087 2.254 -5.757 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.812 3.445 -3.784 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.718 1.250 -2.758 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.948 1.069 -4.486 1.00 0.00 H new ATOM 664 N GLU A 43 -0.360 3.828 -1.767 1.00 0.00 N ATOM 665 CA GLU A 43 0.518 4.294 -0.700 1.00 0.00 C ATOM 666 C GLU A 43 1.783 3.443 -0.625 1.00 0.00 C ATOM 667 O GLU A 43 2.896 3.968 -0.581 1.00 0.00 O ATOM 668 CB GLU A 43 -0.213 4.260 0.644 1.00 0.00 C ATOM 669 CG GLU A 43 -1.516 5.042 0.648 1.00 0.00 C ATOM 670 CD GLU A 43 -2.706 4.192 0.246 1.00 0.00 C ATOM 671 OE1 GLU A 43 -2.502 3.174 -0.448 1.00 0.00 O ATOM 672 OE2 GLU A 43 -3.842 4.547 0.625 1.00 0.00 O ATOM 0 H GLU A 43 -1.355 3.939 -1.573 1.00 0.00 H new ATOM 0 HA GLU A 43 0.805 5.322 -0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.420 3.223 0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.444 4.661 1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.687 5.452 1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.430 5.887 -0.035 1.00 0.00 H new ATOM 679 N LYS A 44 1.603 2.127 -0.611 1.00 0.00 N ATOM 680 CA LYS A 44 2.727 1.202 -0.542 1.00 0.00 C ATOM 681 C LYS A 44 3.778 1.542 -1.594 1.00 0.00 C ATOM 682 O LYS A 44 4.956 1.709 -1.279 1.00 0.00 O ATOM 683 CB LYS A 44 2.243 -0.237 -0.736 1.00 0.00 C ATOM 684 CG LYS A 44 3.352 -1.270 -0.640 1.00 0.00 C ATOM 685 CD LYS A 44 2.833 -2.598 -0.113 1.00 0.00 C ATOM 686 CE LYS A 44 2.019 -3.335 -1.165 1.00 0.00 C ATOM 687 NZ LYS A 44 2.854 -3.743 -2.328 1.00 0.00 N ATOM 0 H LYS A 44 0.688 1.677 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 44 3.182 1.296 0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.484 -0.460 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.763 -0.322 -1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.799 -1.417 -1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.140 -0.900 0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.672 -3.219 0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.217 -2.425 0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.563 -4.218 -0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.206 -2.696 -1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.370 -4.498 -2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.003 -2.925 -2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.773 -4.092 -1.990 1.00 0.00 H new ATOM 701 N CYS A 45 3.343 1.646 -2.846 1.00 0.00 N ATOM 702 CA CYS A 45 4.245 1.968 -3.945 1.00 0.00 C ATOM 703 C CYS A 45 4.696 3.424 -3.869 1.00 0.00 C ATOM 704 O CYS A 45 5.890 3.718 -3.925 1.00 0.00 O ATOM 705 CB CYS A 45 3.560 1.704 -5.287 1.00 0.00 C ATOM 706 SG CYS A 45 3.165 -0.049 -5.588 1.00 0.00 S ATOM 0 H CYS A 45 2.371 1.512 -3.124 1.00 0.00 H new ATOM 0 HA CYS A 45 5.124 1.329 -3.861 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.640 2.286 -5.334 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.205 2.063 -6.089 1.00 0.00 H new ATOM 711 N ARG A 46 3.733 4.330 -3.742 1.00 0.00 N ATOM 712 CA ARG A 46 4.031 5.755 -3.659 1.00 0.00 C ATOM 713 C ARG A 46 5.321 5.997 -2.881 1.00 0.00 C ATOM 714 O ARG A 46 6.297 6.517 -3.421 1.00 0.00 O ATOM 715 CB ARG A 46 2.873 6.502 -2.994 1.00 0.00 C ATOM 716 CG ARG A 46 1.642 6.627 -3.876 1.00 0.00 C ATOM 717 CD ARG A 46 0.480 7.259 -3.125 1.00 0.00 C ATOM 718 NE ARG A 46 -0.653 7.536 -4.003 1.00 0.00 N ATOM 719 CZ ARG A 46 -0.756 8.632 -4.747 1.00 0.00 C ATOM 720 NH1 ARG A 46 0.203 9.548 -4.719 1.00 0.00 N ATOM 721 NH2 ARG A 46 -1.818 8.813 -5.521 1.00 0.00 N ATOM 0 H ARG A 46 2.740 4.103 -3.694 1.00 0.00 H new ATOM 0 HA ARG A 46 4.163 6.132 -4.673 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.599 5.985 -2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.210 7.499 -2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.881 7.229 -4.752 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.350 5.641 -4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.162 6.594 -2.322 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.812 8.186 -2.658 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.407 6.850 -4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.021 9.412 -4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.122 10.389 -5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.557 8.110 -5.546 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.896 9.655 -6.092 1.00 0.00 H new ATOM 735 N LYS A 47 5.318 5.616 -1.608 1.00 0.00 N ATOM 736 CA LYS A 47 6.486 5.789 -0.754 1.00 0.00 C ATOM 737 C LYS A 47 7.702 5.081 -1.344 1.00 0.00 C ATOM 738 O LYS A 47 8.826 5.575 -1.250 1.00 0.00 O ATOM 739 CB LYS A 47 6.202 5.252 0.650 1.00 0.00 C ATOM 740 CG LYS A 47 5.622 3.848 0.658 1.00 0.00 C ATOM 741 CD LYS A 47 6.713 2.795 0.771 1.00 0.00 C ATOM 742 CE LYS A 47 6.196 1.527 1.432 1.00 0.00 C ATOM 743 NZ LYS A 47 7.307 0.625 1.846 1.00 0.00 N ATOM 0 H LYS A 47 4.518 5.185 -1.145 1.00 0.00 H new ATOM 0 HA LYS A 47 6.703 6.855 -0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.127 5.257 1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.509 5.925 1.154 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.928 3.745 1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.050 3.684 -0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.097 2.559 -0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.547 3.194 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.598 1.790 2.304 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.538 1.000 0.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.914 -0.228 2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.863 0.353 1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.921 1.119 2.525 1.00 0.00 H new ATOM 757 N ASP A 48 7.468 3.924 -1.953 1.00 0.00 N ATOM 758 CA ASP A 48 8.544 3.150 -2.561 1.00 0.00 C ATOM 759 C ASP A 48 9.118 3.875 -3.774 1.00 0.00 C ATOM 760 O ASP A 48 8.498 3.915 -4.837 1.00 0.00 O ATOM 761 CB ASP A 48 8.036 1.767 -2.972 1.00 0.00 C ATOM 762 CG ASP A 48 9.164 0.817 -3.326 1.00 0.00 C ATOM 763 OD1 ASP A 48 10.271 0.976 -2.769 1.00 0.00 O ATOM 764 OD2 ASP A 48 8.940 -0.085 -4.159 1.00 0.00 O ATOM 0 H ASP A 48 6.544 3.502 -2.039 1.00 0.00 H new ATOM 0 HA ASP A 48 9.337 3.034 -1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.449 1.342 -2.158 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.368 1.868 -3.827 1.00 0.00 H new ATOM 769 N SER A 49 10.305 4.450 -3.607 1.00 0.00 N ATOM 770 CA SER A 49 10.960 5.179 -4.687 1.00 0.00 C ATOM 771 C SER A 49 11.710 4.224 -5.610 1.00 0.00 C ATOM 772 O SER A 49 12.666 3.566 -5.196 1.00 0.00 O ATOM 773 CB SER A 49 11.926 6.219 -4.115 1.00 0.00 C ATOM 774 OG SER A 49 11.228 7.234 -3.416 1.00 0.00 O ATOM 0 H SER A 49 10.833 4.425 -2.734 1.00 0.00 H new ATOM 0 HA SER A 49 10.191 5.688 -5.268 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.634 5.732 -3.444 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.507 6.663 -4.923 1.00 0.00 H new ATOM 0 HG SER A 49 11.868 7.885 -3.059 1.00 0.00 H new ATOM 780 N CYS A 50 11.270 4.153 -6.861 1.00 0.00 N ATOM 781 CA CYS A 50 11.899 3.278 -7.845 1.00 0.00 C ATOM 782 C CYS A 50 12.597 4.092 -8.929 1.00 0.00 C ATOM 783 O CYS A 50 12.233 4.020 -10.103 1.00 0.00 O ATOM 784 CB CYS A 50 10.857 2.353 -8.475 1.00 0.00 C ATOM 785 SG CYS A 50 11.542 0.823 -9.153 1.00 0.00 S ATOM 0 H CYS A 50 10.480 4.691 -7.219 1.00 0.00 H new ATOM 0 HA CYS A 50 12.647 2.674 -7.332 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.108 2.102 -7.724 1.00 0.00 H new ATOM 0 HB3 CYS A 50 10.342 2.892 -9.270 1.00 0.00 H new ATOM 0 HG CYS A 50 10.584 0.106 -9.661 1.00 0.00 H new ATOM 791 N GLN A 51 13.600 4.867 -8.528 1.00 0.00 N ATOM 792 CA GLN A 51 14.346 5.696 -9.466 1.00 0.00 C ATOM 793 C GLN A 51 15.729 6.030 -8.917 1.00 0.00 C ATOM 794 O GLN A 51 16.004 5.823 -7.735 1.00 0.00 O ATOM 795 CB GLN A 51 13.578 6.985 -9.764 1.00 0.00 C ATOM 796 CG GLN A 51 12.369 6.779 -10.661 1.00 0.00 C ATOM 797 CD GLN A 51 11.729 8.086 -11.088 1.00 0.00 C ATOM 798 OE1 GLN A 51 12.157 9.164 -10.675 1.00 0.00 O ATOM 799 NE2 GLN A 51 10.699 7.997 -11.921 1.00 0.00 N ATOM 0 H GLN A 51 13.914 4.938 -7.560 1.00 0.00 H new ATOM 0 HA GLN A 51 14.468 5.133 -10.391 1.00 0.00 H new ATOM 0 HB2 GLN A 51 13.251 7.429 -8.824 1.00 0.00 H new ATOM 0 HB3 GLN A 51 14.253 7.699 -10.236 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.670 6.220 -11.547 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.631 6.172 -10.136 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.377 7.083 -12.238 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.230 8.843 -12.244 1.00 0.00 H new ATOM 808 N GLU A 52 16.596 6.547 -9.782 1.00 0.00 N ATOM 809 CA GLU A 52 17.951 6.908 -9.382 1.00 0.00 C ATOM 810 C GLU A 52 18.234 8.377 -9.685 1.00 0.00 C ATOM 811 O GLU A 52 17.549 8.997 -10.497 1.00 0.00 O ATOM 812 CB GLU A 52 18.971 6.022 -10.100 1.00 0.00 C ATOM 813 CG GLU A 52 19.106 6.327 -11.582 1.00 0.00 C ATOM 814 CD GLU A 52 20.472 5.960 -12.131 1.00 0.00 C ATOM 815 OE1 GLU A 52 21.046 4.953 -11.666 1.00 0.00 O ATOM 816 OE2 GLU A 52 20.966 6.680 -13.024 1.00 0.00 O ATOM 0 H GLU A 52 16.384 6.725 -10.764 1.00 0.00 H new ATOM 0 HA GLU A 52 18.039 6.753 -8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 52 19.944 6.142 -9.623 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.683 4.978 -9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 52 18.339 5.782 -12.133 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.925 7.389 -11.749 1.00 0.00 H new ATOM 823 N ALA A 53 19.249 8.925 -9.025 1.00 0.00 N ATOM 824 CA ALA A 53 19.625 10.320 -9.223 1.00 0.00 C ATOM 825 C ALA A 53 20.251 10.529 -10.598 1.00 0.00 C ATOM 826 O ALA A 53 21.344 10.036 -10.874 1.00 0.00 O ATOM 827 CB ALA A 53 20.584 10.768 -8.131 1.00 0.00 C ATOM 0 H ALA A 53 19.826 8.425 -8.349 1.00 0.00 H new ATOM 0 HA ALA A 53 18.721 10.926 -9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.856 11.811 -8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.102 10.664 -7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 53 21.482 10.150 -8.159 1.00 0.00 H new ATOM 833 N ALA A 54 19.550 11.262 -11.457 1.00 0.00 N ATOM 834 CA ALA A 54 20.038 11.537 -12.802 1.00 0.00 C ATOM 835 C ALA A 54 19.527 12.882 -13.307 1.00 0.00 C ATOM 836 O ALA A 54 18.471 13.355 -12.884 1.00 0.00 O ATOM 837 CB ALA A 54 19.625 10.423 -13.752 1.00 0.00 C ATOM 0 H ALA A 54 18.642 11.676 -11.245 1.00 0.00 H new ATOM 0 HA ALA A 54 21.126 11.582 -12.764 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.997 10.642 -14.753 1.00 0.00 H new ATOM 0 HB2 ALA A 54 20.044 9.477 -13.408 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.538 10.350 -13.776 1.00 0.00 H new ATOM 843 N LEU A 55 20.282 13.494 -14.213 1.00 0.00 N ATOM 844 CA LEU A 55 19.905 14.786 -14.776 1.00 0.00 C ATOM 845 C LEU A 55 18.440 14.789 -15.202 1.00 0.00 C ATOM 846 O LEU A 55 17.939 13.802 -15.740 1.00 0.00 O ATOM 847 CB LEU A 55 20.797 15.123 -15.972 1.00 0.00 C ATOM 848 CG LEU A 55 20.480 14.387 -17.274 1.00 0.00 C ATOM 849 CD1 LEU A 55 21.182 15.052 -18.448 1.00 0.00 C ATOM 850 CD2 LEU A 55 20.881 12.923 -17.170 1.00 0.00 C ATOM 0 H LEU A 55 21.158 13.117 -14.573 1.00 0.00 H new ATOM 0 HA LEU A 55 20.041 15.544 -14.004 1.00 0.00 H new ATOM 0 HB2 LEU A 55 20.731 16.195 -16.159 1.00 0.00 H new ATOM 0 HB3 LEU A 55 21.831 14.910 -15.700 1.00 0.00 H new ATOM 0 HG LEU A 55 19.405 14.437 -17.445 1.00 0.00 H new ATOM 0 HD11 LEU A 55 20.945 14.514 -19.366 1.00 0.00 H new ATOM 0 HD12 LEU A 55 20.846 16.085 -18.535 1.00 0.00 H new ATOM 0 HD13 LEU A 55 22.260 15.034 -18.285 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.648 12.415 -18.106 1.00 0.00 H new ATOM 0 HD22 LEU A 55 21.951 12.852 -16.975 1.00 0.00 H new ATOM 0 HD23 LEU A 55 20.331 12.452 -16.355 1.00 0.00 H new ATOM 862 N ASN A 56 17.761 15.905 -14.960 1.00 0.00 N ATOM 863 CA ASN A 56 16.354 16.036 -15.321 1.00 0.00 C ATOM 864 C ASN A 56 16.077 15.391 -16.676 1.00 0.00 C ATOM 865 O ASN A 56 16.912 15.436 -17.580 1.00 0.00 O ATOM 866 CB ASN A 56 15.950 17.511 -15.354 1.00 0.00 C ATOM 867 CG ASN A 56 17.051 18.401 -15.897 1.00 0.00 C ATOM 868 OD1 ASN A 56 17.487 19.343 -15.236 1.00 0.00 O ATOM 869 ND2 ASN A 56 17.507 18.104 -17.109 1.00 0.00 N ATOM 0 H ASN A 56 18.162 16.731 -14.516 1.00 0.00 H new ATOM 0 HA ASN A 56 15.761 15.520 -14.565 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.057 17.626 -15.969 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.688 17.836 -14.347 1.00 0.00 H new ATOM 0 HD21 ASN A 56 18.248 18.667 -17.527 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.116 17.313 -17.621 1.00 0.00 H new ATOM 876 N LYS A 57 14.898 14.792 -16.810 1.00 0.00 N ATOM 877 CA LYS A 57 14.509 14.139 -18.054 1.00 0.00 C ATOM 878 C LYS A 57 13.969 15.155 -19.056 1.00 0.00 C ATOM 879 O LYS A 57 14.441 15.232 -20.190 1.00 0.00 O ATOM 880 CB LYS A 57 13.452 13.066 -17.781 1.00 0.00 C ATOM 881 CG LYS A 57 14.038 11.733 -17.347 1.00 0.00 C ATOM 882 CD LYS A 57 12.967 10.809 -16.789 1.00 0.00 C ATOM 883 CE LYS A 57 12.350 9.949 -17.881 1.00 0.00 C ATOM 884 NZ LYS A 57 11.175 10.613 -18.512 1.00 0.00 N ATOM 0 H LYS A 57 14.196 14.746 -16.072 1.00 0.00 H new ATOM 0 HA LYS A 57 15.395 13.669 -18.481 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.773 13.425 -17.007 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.857 12.916 -18.682 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.526 11.255 -18.196 1.00 0.00 H new ATOM 0 HG3 LYS A 57 14.805 11.900 -16.591 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.401 10.168 -16.021 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.189 11.401 -16.307 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.100 9.736 -18.643 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.043 8.992 -17.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.353 9.977 -18.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.957 11.492 -18.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.393 10.834 -19.505 1.00 0.00 H new ATOM 898 N ASP A 58 12.980 15.932 -18.629 1.00 0.00 N ATOM 899 CA ASP A 58 12.379 16.946 -19.488 1.00 0.00 C ATOM 900 C ASP A 58 11.794 18.084 -18.658 1.00 0.00 C ATOM 901 O ASP A 58 11.153 17.852 -17.634 1.00 0.00 O ATOM 902 CB ASP A 58 11.289 16.323 -20.362 1.00 0.00 C ATOM 903 CG ASP A 58 11.125 17.044 -21.685 1.00 0.00 C ATOM 904 OD1 ASP A 58 10.364 18.033 -21.730 1.00 0.00 O ATOM 905 OD2 ASP A 58 11.756 16.619 -22.675 1.00 0.00 O ATOM 0 H ASP A 58 12.577 15.879 -17.693 1.00 0.00 H new ATOM 0 HA ASP A 58 13.160 17.353 -20.130 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.531 15.277 -20.549 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.342 16.339 -19.823 1.00 0.00 H new ATOM 910 N GLU A 59 12.021 19.315 -19.108 1.00 0.00 N ATOM 911 CA GLU A 59 11.518 20.489 -18.405 1.00 0.00 C ATOM 912 C GLU A 59 10.304 21.073 -19.121 1.00 0.00 C ATOM 913 O GLU A 59 10.378 21.439 -20.294 1.00 0.00 O ATOM 914 CB GLU A 59 12.615 21.550 -18.288 1.00 0.00 C ATOM 915 CG GLU A 59 13.850 21.069 -17.546 1.00 0.00 C ATOM 916 CD GLU A 59 14.666 20.077 -18.353 1.00 0.00 C ATOM 917 OE1 GLU A 59 14.791 20.272 -19.580 1.00 0.00 O ATOM 918 OE2 GLU A 59 15.179 19.107 -17.758 1.00 0.00 O ATOM 0 H GLU A 59 12.549 19.524 -19.955 1.00 0.00 H new ATOM 0 HA GLU A 59 11.214 20.180 -17.405 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.905 21.873 -19.288 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.211 22.423 -17.776 1.00 0.00 H new ATOM 0 HG2 GLU A 59 14.474 21.926 -17.293 1.00 0.00 H new ATOM 0 HG3 GLU A 59 13.548 20.606 -16.607 1.00 0.00 H new ATOM 925 N GLY A 60 9.186 21.158 -18.407 1.00 0.00 N ATOM 926 CA GLY A 60 7.972 21.697 -18.990 1.00 0.00 C ATOM 927 C GLY A 60 7.425 22.873 -18.205 1.00 0.00 C ATOM 928 O GLY A 60 6.776 22.693 -17.176 1.00 0.00 O ATOM 0 H GLY A 60 9.100 20.863 -17.434 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.172 22.010 -20.015 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.216 20.913 -19.038 1.00 0.00 H new ATOM 932 N ASN A 61 7.689 24.082 -18.692 1.00 0.00 N ATOM 933 CA ASN A 61 7.220 25.292 -18.027 1.00 0.00 C ATOM 934 C ASN A 61 5.849 25.706 -18.554 1.00 0.00 C ATOM 935 O ASN A 61 4.999 26.176 -17.799 1.00 0.00 O ATOM 936 CB ASN A 61 8.221 26.431 -18.231 1.00 0.00 C ATOM 937 CG ASN A 61 8.241 26.935 -19.661 1.00 0.00 C ATOM 938 OD1 ASN A 61 7.358 27.685 -20.079 1.00 0.00 O ATOM 939 ND2 ASN A 61 9.251 26.525 -20.419 1.00 0.00 N ATOM 0 H ASN A 61 8.225 24.249 -19.544 1.00 0.00 H new ATOM 0 HA ASN A 61 7.132 25.080 -16.961 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.971 27.255 -17.562 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.218 26.088 -17.956 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.317 26.832 -21.390 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.960 25.903 -20.031 1.00 0.00 H new ATOM 946 N GLU A 62 5.642 25.526 -19.855 1.00 0.00 N ATOM 947 CA GLU A 62 4.374 25.880 -20.482 1.00 0.00 C ATOM 948 C GLU A 62 3.338 24.779 -20.275 1.00 0.00 C ATOM 949 O GLU A 62 2.650 24.375 -21.213 1.00 0.00 O ATOM 950 CB GLU A 62 4.573 26.134 -21.978 1.00 0.00 C ATOM 951 CG GLU A 62 4.995 24.898 -22.754 1.00 0.00 C ATOM 952 CD GLU A 62 5.757 25.235 -24.021 1.00 0.00 C ATOM 953 OE1 GLU A 62 6.622 26.135 -23.969 1.00 0.00 O ATOM 954 OE2 GLU A 62 5.489 24.601 -25.062 1.00 0.00 O ATOM 0 H GLU A 62 6.335 25.138 -20.494 1.00 0.00 H new ATOM 0 HA GLU A 62 4.008 26.792 -20.011 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.644 26.518 -22.400 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.327 26.910 -22.109 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.617 24.269 -22.117 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.110 24.316 -23.011 1.00 0.00 H new ATOM 961 N SER A 63 3.233 24.298 -19.041 1.00 0.00 N ATOM 962 CA SER A 63 2.284 23.241 -18.710 1.00 0.00 C ATOM 963 C SER A 63 1.375 23.667 -17.562 1.00 0.00 C ATOM 964 O SER A 63 1.634 23.354 -16.401 1.00 0.00 O ATOM 965 CB SER A 63 3.029 21.957 -18.337 1.00 0.00 C ATOM 966 OG SER A 63 3.982 22.199 -17.317 1.00 0.00 O ATOM 0 H SER A 63 3.793 24.623 -18.253 1.00 0.00 H new ATOM 0 HA SER A 63 1.666 23.053 -19.588 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.316 21.203 -18.002 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.529 21.554 -19.218 1.00 0.00 H new ATOM 0 HG SER A 63 4.873 22.289 -17.716 1.00 0.00 H new ATOM 972 N GLY A 64 0.306 24.384 -17.896 1.00 0.00 N ATOM 973 CA GLY A 64 -0.627 24.842 -16.884 1.00 0.00 C ATOM 974 C GLY A 64 0.000 25.835 -15.925 1.00 0.00 C ATOM 975 O GLY A 64 1.129 25.645 -15.472 1.00 0.00 O ATOM 0 H GLY A 64 0.070 24.656 -18.850 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.487 25.303 -17.369 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.999 23.985 -16.323 1.00 0.00 H new ATOM 979 N LYS A 65 -0.733 26.899 -15.615 1.00 0.00 N ATOM 980 CA LYS A 65 -0.244 27.927 -14.705 1.00 0.00 C ATOM 981 C LYS A 65 -0.571 27.574 -13.258 1.00 0.00 C ATOM 982 O LYS A 65 -1.053 28.412 -12.496 1.00 0.00 O ATOM 983 CB LYS A 65 -0.854 29.285 -15.060 1.00 0.00 C ATOM 984 CG LYS A 65 -0.351 29.853 -16.375 1.00 0.00 C ATOM 985 CD LYS A 65 -1.081 29.244 -17.561 1.00 0.00 C ATOM 986 CE LYS A 65 -0.499 29.727 -18.881 1.00 0.00 C ATOM 987 NZ LYS A 65 -1.142 30.989 -19.342 1.00 0.00 N ATOM 0 H LYS A 65 -1.669 27.072 -15.981 1.00 0.00 H new ATOM 0 HA LYS A 65 0.839 27.984 -14.811 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.938 29.185 -15.108 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.634 29.993 -14.261 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.485 30.935 -16.380 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.718 29.664 -16.469 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.017 28.157 -17.510 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.138 29.504 -17.511 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.573 29.886 -18.769 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.629 28.955 -19.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.718 31.285 -20.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.161 30.831 -19.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.996 31.733 -18.630 1.00 0.00 H new ATOM 1001 N LYS A 66 -0.306 26.326 -12.884 1.00 0.00 N ATOM 1002 CA LYS A 66 -0.570 25.861 -11.527 1.00 0.00 C ATOM 1003 C LYS A 66 0.629 25.099 -10.971 1.00 0.00 C ATOM 1004 O LYS A 66 0.491 24.285 -10.057 1.00 0.00 O ATOM 1005 CB LYS A 66 -1.811 24.967 -11.505 1.00 0.00 C ATOM 1006 CG LYS A 66 -1.838 23.936 -12.620 1.00 0.00 C ATOM 1007 CD LYS A 66 -1.170 22.639 -12.196 1.00 0.00 C ATOM 1008 CE LYS A 66 -0.619 21.879 -13.393 1.00 0.00 C ATOM 1009 NZ LYS A 66 -1.659 21.032 -14.039 1.00 0.00 N ATOM 0 H LYS A 66 0.091 25.619 -13.502 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.747 26.733 -10.898 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.861 24.453 -10.545 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.701 25.593 -11.578 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.870 23.737 -12.908 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.333 24.336 -13.499 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.362 22.856 -11.498 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.889 22.014 -11.666 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.223 22.587 -14.121 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.213 21.252 -13.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.244 20.531 -14.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.019 20.340 -13.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.442 21.633 -14.367 1.00 0.00 H new ATOM 1023 N THR A 67 1.806 25.370 -11.526 1.00 0.00 N ATOM 1024 CA THR A 67 3.029 24.710 -11.085 1.00 0.00 C ATOM 1025 C THR A 67 3.529 25.300 -9.771 1.00 0.00 C ATOM 1026 O THR A 67 3.521 26.517 -9.584 1.00 0.00 O ATOM 1027 CB THR A 67 4.142 24.825 -12.143 1.00 0.00 C ATOM 1028 OG1 THR A 67 4.405 26.203 -12.430 1.00 0.00 O ATOM 1029 CG2 THR A 67 3.749 24.101 -13.422 1.00 0.00 C ATOM 0 H THR A 67 1.938 26.042 -12.282 1.00 0.00 H new ATOM 0 HA THR A 67 2.785 23.658 -10.938 1.00 0.00 H new ATOM 0 HB THR A 67 5.043 24.360 -11.743 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.115 26.267 -13.102 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.550 24.196 -14.155 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.578 23.046 -13.205 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.836 24.541 -13.824 1.00 0.00 H new ATOM 1037 N SER A 68 3.963 24.431 -8.865 1.00 0.00 N ATOM 1038 CA SER A 68 4.465 24.867 -7.567 1.00 0.00 C ATOM 1039 C SER A 68 5.831 25.531 -7.707 1.00 0.00 C ATOM 1040 O SER A 68 6.059 26.624 -7.191 1.00 0.00 O ATOM 1041 CB SER A 68 4.558 23.679 -6.607 1.00 0.00 C ATOM 1042 OG SER A 68 5.032 24.086 -5.335 1.00 0.00 O ATOM 0 H SER A 68 3.977 23.421 -9.005 1.00 0.00 H new ATOM 0 HA SER A 68 3.766 25.598 -7.162 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.577 23.215 -6.502 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.225 22.923 -7.022 1.00 0.00 H new ATOM 0 HG SER A 68 5.081 23.309 -4.740 1.00 0.00 H new ATOM 1048 N GLY A 69 6.739 24.860 -8.410 1.00 0.00 N ATOM 1049 CA GLY A 69 8.072 25.399 -8.606 1.00 0.00 C ATOM 1050 C GLY A 69 9.145 24.540 -7.966 1.00 0.00 C ATOM 1051 O GLY A 69 8.932 23.917 -6.925 1.00 0.00 O ATOM 0 H GLY A 69 6.575 23.953 -8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.271 25.488 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.119 26.405 -8.188 1.00 0.00 H new ATOM 1055 N PRO A 70 10.328 24.497 -8.596 1.00 0.00 N ATOM 1056 CA PRO A 70 11.461 23.710 -8.100 1.00 0.00 C ATOM 1057 C PRO A 70 12.053 24.289 -6.820 1.00 0.00 C ATOM 1058 O PRO A 70 12.827 25.245 -6.860 1.00 0.00 O ATOM 1059 CB PRO A 70 12.476 23.790 -9.243 1.00 0.00 C ATOM 1060 CG PRO A 70 12.142 25.054 -9.958 1.00 0.00 C ATOM 1061 CD PRO A 70 10.651 25.214 -9.841 1.00 0.00 C ATOM 0 HA PRO A 70 11.168 22.692 -7.842 1.00 0.00 H new ATOM 0 HB2 PRO A 70 13.498 23.807 -8.864 1.00 0.00 H new ATOM 0 HB3 PRO A 70 12.396 22.928 -9.905 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.662 25.903 -9.514 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.448 25.004 -11.003 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.362 26.264 -9.787 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.132 24.785 -10.698 1.00 0.00 H new ATOM 1069 N SER A 71 11.683 23.704 -5.685 1.00 0.00 N ATOM 1070 CA SER A 71 12.175 24.165 -4.392 1.00 0.00 C ATOM 1071 C SER A 71 13.700 24.202 -4.373 1.00 0.00 C ATOM 1072 O SER A 71 14.304 25.239 -4.097 1.00 0.00 O ATOM 1073 CB SER A 71 11.662 23.256 -3.273 1.00 0.00 C ATOM 1074 OG SER A 71 11.927 21.893 -3.562 1.00 0.00 O ATOM 0 H SER A 71 11.044 22.910 -5.635 1.00 0.00 H new ATOM 0 HA SER A 71 11.802 25.176 -4.229 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.136 23.530 -2.331 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.590 23.402 -3.144 1.00 0.00 H new ATOM 0 HG SER A 71 11.591 21.332 -2.832 1.00 0.00 H new ATOM 1080 N SER A 72 14.318 23.062 -4.668 1.00 0.00 N ATOM 1081 CA SER A 72 15.772 22.962 -4.681 1.00 0.00 C ATOM 1082 C SER A 72 16.251 22.171 -5.895 1.00 0.00 C ATOM 1083 O SER A 72 15.558 21.277 -6.380 1.00 0.00 O ATOM 1084 CB SER A 72 16.271 22.298 -3.396 1.00 0.00 C ATOM 1085 OG SER A 72 15.712 21.005 -3.241 1.00 0.00 O ATOM 0 H SER A 72 13.834 22.195 -4.901 1.00 0.00 H new ATOM 0 HA SER A 72 16.180 23.971 -4.742 1.00 0.00 H new ATOM 0 HB2 SER A 72 17.358 22.227 -3.418 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.009 22.916 -2.538 1.00 0.00 H new ATOM 0 HG SER A 72 16.047 20.601 -2.414 1.00 0.00 H new ATOM 1091 N GLY A 73 17.442 22.507 -6.381 1.00 0.00 N ATOM 1092 CA GLY A 73 17.994 21.820 -7.533 1.00 0.00 C ATOM 1093 C GLY A 73 18.371 20.384 -7.227 1.00 0.00 C ATOM 1094 O GLY A 73 19.130 19.788 -7.989 1.00 0.00 O ATOM 0 H GLY A 73 18.034 23.243 -5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.267 21.836 -8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 73 18.875 22.357 -7.884 1.00 0.00 H new TER 1098 GLY A 73 HETATM 1099 ZN ZN A 201 0.885 -0.354 -5.936 1.00 0.00 ZN