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 24:sc= 0.306 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= -5.29! C(o=-5.3!,f=-16!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.0523 X(o=-0.052,f=-0.48) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -6.17! C(o=-6.2!,f=-7.5!) 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 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 159:sc= -0.0558 (180deg=-0.419) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -125:sc= -5.39! (180deg=-9.41!) USER MOD Single : A 44 LYS NZ :NH3+ -134:sc= -0.875 (180deg=-1.63) USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.282) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 80:sc= 0.663 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 56 ASN : amide:sc= -0.0691 K(o=-0.069,f=-1.6!) USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= -0.0658 (180deg=-0.498) USER MOD Single : A 61 ASN : amide:sc= -0.0725 X(o=-0.073,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 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 Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.905 18.933 6.288 1.00 0.00 N ATOM 2 CA GLY A 1 -19.492 19.955 5.441 1.00 0.00 C ATOM 3 C GLY A 1 -20.846 19.548 4.895 1.00 0.00 C ATOM 4 O GLY A 1 -21.874 20.094 5.295 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.981 19.259 6.636 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.534 18.748 7.096 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.779 18.058 5.740 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.596 20.879 6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.818 20.166 4.611 1.00 0.00 H new ATOM 8 N SER A 2 -20.847 18.587 3.976 1.00 0.00 N ATOM 9 CA SER A 2 -22.084 18.111 3.370 1.00 0.00 C ATOM 10 C SER A 2 -22.870 19.267 2.759 1.00 0.00 C ATOM 11 O SER A 2 -24.091 19.342 2.894 1.00 0.00 O ATOM 12 CB SER A 2 -22.943 17.390 4.410 1.00 0.00 C ATOM 13 OG SER A 2 -22.344 16.168 4.808 1.00 0.00 O ATOM 0 H SER A 2 -20.005 18.123 3.635 1.00 0.00 H new ATOM 0 HA SER A 2 -21.824 17.411 2.576 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.081 18.032 5.280 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.933 17.196 3.997 1.00 0.00 H new ATOM 0 HG SER A 2 -22.912 15.727 5.474 1.00 0.00 H new ATOM 19 N SER A 3 -22.159 20.167 2.086 1.00 0.00 N ATOM 20 CA SER A 3 -22.788 21.322 1.457 1.00 0.00 C ATOM 21 C SER A 3 -23.602 20.901 0.237 1.00 0.00 C ATOM 22 O SER A 3 -23.080 20.281 -0.688 1.00 0.00 O ATOM 23 CB SER A 3 -21.728 22.346 1.047 1.00 0.00 C ATOM 24 OG SER A 3 -22.270 23.655 1.012 1.00 0.00 O ATOM 0 H SER A 3 -21.148 20.118 1.963 1.00 0.00 H new ATOM 0 HA SER A 3 -23.462 21.777 2.183 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.895 22.313 1.749 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.329 22.088 0.066 1.00 0.00 H new ATOM 0 HG SER A 3 -21.572 24.291 0.749 1.00 0.00 H new ATOM 30 N GLY A 4 -24.887 21.243 0.244 1.00 0.00 N ATOM 31 CA GLY A 4 -25.754 20.892 -0.866 1.00 0.00 C ATOM 32 C GLY A 4 -25.588 21.826 -2.048 1.00 0.00 C ATOM 33 O GLY A 4 -24.912 22.850 -1.949 1.00 0.00 O ATOM 0 H GLY A 4 -25.343 21.757 0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.541 19.871 -1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.792 20.913 -0.533 1.00 0.00 H new ATOM 37 N SER A 5 -26.205 21.472 -3.171 1.00 0.00 N ATOM 38 CA SER A 5 -26.118 22.283 -4.380 1.00 0.00 C ATOM 39 C SER A 5 -27.365 22.109 -5.242 1.00 0.00 C ATOM 40 O SER A 5 -28.151 21.184 -5.036 1.00 0.00 O ATOM 41 CB SER A 5 -24.872 21.907 -5.183 1.00 0.00 C ATOM 42 OG SER A 5 -23.728 22.588 -4.699 1.00 0.00 O ATOM 0 H SER A 5 -26.771 20.629 -3.269 1.00 0.00 H new ATOM 0 HA SER A 5 -26.047 23.329 -4.082 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.710 20.831 -5.125 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.026 22.150 -6.234 1.00 0.00 H new ATOM 0 HG SER A 5 -23.869 22.839 -3.762 1.00 0.00 H new ATOM 48 N SER A 6 -27.538 23.004 -6.209 1.00 0.00 N ATOM 49 CA SER A 6 -28.690 22.953 -7.101 1.00 0.00 C ATOM 50 C SER A 6 -29.074 21.509 -7.409 1.00 0.00 C ATOM 51 O SER A 6 -30.195 21.081 -7.136 1.00 0.00 O ATOM 52 CB SER A 6 -28.389 23.701 -8.401 1.00 0.00 C ATOM 53 OG SER A 6 -29.513 23.697 -9.264 1.00 0.00 O ATOM 0 H SER A 6 -26.895 23.773 -6.395 1.00 0.00 H new ATOM 0 HA SER A 6 -29.529 23.435 -6.599 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.104 24.728 -8.175 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.540 23.237 -8.903 1.00 0.00 H new ATOM 0 HG SER A 6 -29.295 24.183 -10.087 1.00 0.00 H new ATOM 59 N GLY A 7 -28.135 20.762 -7.982 1.00 0.00 N ATOM 60 CA GLY A 7 -28.393 19.375 -8.319 1.00 0.00 C ATOM 61 C GLY A 7 -28.978 18.595 -7.158 1.00 0.00 C ATOM 62 O GLY A 7 -29.066 19.104 -6.040 1.00 0.00 O ATOM 0 H GLY A 7 -27.200 21.093 -8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -29.080 19.331 -9.165 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.464 18.903 -8.638 1.00 0.00 H new ATOM 66 N LYS A 8 -29.381 17.357 -7.422 1.00 0.00 N ATOM 67 CA LYS A 8 -29.962 16.505 -6.391 1.00 0.00 C ATOM 68 C LYS A 8 -28.877 15.729 -5.652 1.00 0.00 C ATOM 69 O LYS A 8 -27.697 15.812 -5.996 1.00 0.00 O ATOM 70 CB LYS A 8 -30.967 15.531 -7.011 1.00 0.00 C ATOM 71 CG LYS A 8 -32.215 16.208 -7.551 1.00 0.00 C ATOM 72 CD LYS A 8 -33.263 15.191 -7.971 1.00 0.00 C ATOM 73 CE LYS A 8 -33.032 14.708 -9.395 1.00 0.00 C ATOM 74 NZ LYS A 8 -33.986 13.630 -9.777 1.00 0.00 N ATOM 0 H LYS A 8 -29.316 16.921 -8.342 1.00 0.00 H new ATOM 0 HA LYS A 8 -30.479 17.145 -5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -30.481 14.986 -7.820 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -31.258 14.796 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -32.631 16.867 -6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -31.951 16.833 -8.404 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -33.240 14.341 -7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -34.255 15.636 -7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -33.136 15.546 -10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -32.011 14.340 -9.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -33.796 13.328 -10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -33.869 12.820 -9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -34.960 13.988 -9.709 1.00 0.00 H new ATOM 88 N ARG A 9 -29.283 14.974 -4.636 1.00 0.00 N ATOM 89 CA ARG A 9 -28.344 14.183 -3.849 1.00 0.00 C ATOM 90 C ARG A 9 -28.843 12.750 -3.688 1.00 0.00 C ATOM 91 O ARG A 9 -29.544 12.431 -2.728 1.00 0.00 O ATOM 92 CB ARG A 9 -28.136 14.819 -2.473 1.00 0.00 C ATOM 93 CG ARG A 9 -27.129 15.958 -2.475 1.00 0.00 C ATOM 94 CD ARG A 9 -25.705 15.441 -2.609 1.00 0.00 C ATOM 95 NE ARG A 9 -25.117 15.115 -1.313 1.00 0.00 N ATOM 96 CZ ARG A 9 -23.818 14.905 -1.128 1.00 0.00 C ATOM 97 NH1 ARG A 9 -22.977 14.987 -2.150 1.00 0.00 N ATOM 98 NH2 ARG A 9 -23.358 14.613 0.082 1.00 0.00 N ATOM 0 H ARG A 9 -30.255 14.893 -4.339 1.00 0.00 H new ATOM 0 HA ARG A 9 -27.392 14.161 -4.379 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -29.092 15.191 -2.106 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -27.803 14.052 -1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -27.349 16.639 -3.297 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -27.224 16.531 -1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -25.699 14.554 -3.243 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -25.092 16.192 -3.107 1.00 0.00 H new ATOM 0 HE ARG A 9 -25.737 15.045 -0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -23.327 15.212 -3.081 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -21.980 14.825 -2.005 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -24.002 14.550 0.871 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -22.361 14.452 0.223 1.00 0.00 H new ATOM 112 N GLN A 10 -28.475 11.891 -4.634 1.00 0.00 N ATOM 113 CA GLN A 10 -28.886 10.493 -4.597 1.00 0.00 C ATOM 114 C GLN A 10 -27.692 9.569 -4.809 1.00 0.00 C ATOM 115 O GLN A 10 -26.614 10.011 -5.207 1.00 0.00 O ATOM 116 CB GLN A 10 -29.950 10.224 -5.664 1.00 0.00 C ATOM 117 CG GLN A 10 -29.565 10.725 -7.046 1.00 0.00 C ATOM 118 CD GLN A 10 -29.561 12.238 -7.139 1.00 0.00 C ATOM 119 OE1 GLN A 10 -30.119 12.925 -6.282 1.00 0.00 O ATOM 120 NE2 GLN A 10 -28.930 12.766 -8.181 1.00 0.00 N ATOM 0 H GLN A 10 -27.894 12.139 -5.434 1.00 0.00 H new ATOM 0 HA GLN A 10 -29.309 10.290 -3.613 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -30.139 9.152 -5.715 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -30.884 10.698 -5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -28.576 10.347 -7.303 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -30.261 10.322 -7.781 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -28.481 12.159 -8.867 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -28.894 13.779 -8.296 1.00 0.00 H new ATOM 129 N LYS A 11 -27.890 8.283 -4.540 1.00 0.00 N ATOM 130 CA LYS A 11 -26.830 7.295 -4.701 1.00 0.00 C ATOM 131 C LYS A 11 -27.155 6.329 -5.837 1.00 0.00 C ATOM 132 O LYS A 11 -27.074 5.112 -5.671 1.00 0.00 O ATOM 133 CB LYS A 11 -26.627 6.517 -3.399 1.00 0.00 C ATOM 134 CG LYS A 11 -27.862 5.758 -2.945 1.00 0.00 C ATOM 135 CD LYS A 11 -27.522 4.717 -1.892 1.00 0.00 C ATOM 136 CE LYS A 11 -28.683 3.765 -1.653 1.00 0.00 C ATOM 137 NZ LYS A 11 -29.711 4.358 -0.753 1.00 0.00 N ATOM 0 H LYS A 11 -28.776 7.900 -4.209 1.00 0.00 H new ATOM 0 HA LYS A 11 -25.909 7.824 -4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -25.806 5.812 -3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -26.328 7.211 -2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -28.593 6.459 -2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -28.326 5.271 -3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -26.646 4.151 -2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -27.260 5.215 -0.958 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -29.142 3.505 -2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -28.309 2.839 -1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -30.486 3.678 -0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -29.280 4.583 0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -30.087 5.228 -1.181 1.00 0.00 H new ATOM 151 N ILE A 12 -27.520 6.881 -6.990 1.00 0.00 N ATOM 152 CA ILE A 12 -27.854 6.068 -8.153 1.00 0.00 C ATOM 153 C ILE A 12 -26.758 6.147 -9.211 1.00 0.00 C ATOM 154 O ILE A 12 -26.574 5.219 -9.999 1.00 0.00 O ATOM 155 CB ILE A 12 -29.190 6.505 -8.780 1.00 0.00 C ATOM 156 CG1 ILE A 12 -29.585 5.550 -9.909 1.00 0.00 C ATOM 157 CG2 ILE A 12 -29.091 7.932 -9.297 1.00 0.00 C ATOM 158 CD1 ILE A 12 -30.025 4.188 -9.421 1.00 0.00 C ATOM 0 H ILE A 12 -27.592 7.887 -7.143 1.00 0.00 H new ATOM 0 HA ILE A 12 -27.946 5.039 -7.804 1.00 0.00 H new ATOM 0 HB ILE A 12 -29.963 6.470 -8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -30.393 5.998 -10.487 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -28.738 5.429 -10.585 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -30.044 8.226 -9.737 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -28.850 8.602 -8.472 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -28.308 7.992 -10.053 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -30.290 3.564 -10.274 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -29.211 3.719 -8.868 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -30.891 4.298 -8.769 1.00 0.00 H new ATOM 170 N HIS A 13 -26.032 7.260 -9.221 1.00 0.00 N ATOM 171 CA HIS A 13 -24.952 7.459 -10.181 1.00 0.00 C ATOM 172 C HIS A 13 -23.813 6.475 -9.929 1.00 0.00 C ATOM 173 O HIS A 13 -23.797 5.774 -8.917 1.00 0.00 O ATOM 174 CB HIS A 13 -24.429 8.894 -10.102 1.00 0.00 C ATOM 175 CG HIS A 13 -23.485 9.125 -8.962 1.00 0.00 C ATOM 176 ND1 HIS A 13 -23.712 8.647 -7.689 1.00 0.00 N ATOM 177 CD2 HIS A 13 -22.306 9.787 -8.910 1.00 0.00 C ATOM 178 CE1 HIS A 13 -22.713 9.007 -6.902 1.00 0.00 C ATOM 179 NE2 HIS A 13 -21.846 9.699 -7.619 1.00 0.00 N ATOM 0 H HIS A 13 -26.172 8.038 -8.576 1.00 0.00 H new ATOM 0 HA HIS A 13 -25.349 7.280 -11.180 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -23.925 9.140 -11.036 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -25.274 9.575 -10.007 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -21.818 10.291 -9.731 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -22.621 8.775 -5.851 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -20.976 10.102 -7.271 1.00 0.00 H new ATOM 187 N LEU A 14 -22.862 6.429 -10.856 1.00 0.00 N ATOM 188 CA LEU A 14 -21.719 5.530 -10.735 1.00 0.00 C ATOM 189 C LEU A 14 -20.475 6.290 -10.287 1.00 0.00 C ATOM 190 O LEU A 14 -20.150 7.345 -10.830 1.00 0.00 O ATOM 191 CB LEU A 14 -21.452 4.832 -12.069 1.00 0.00 C ATOM 192 CG LEU A 14 -22.620 4.042 -12.660 1.00 0.00 C ATOM 193 CD1 LEU A 14 -22.308 3.612 -14.085 1.00 0.00 C ATOM 194 CD2 LEU A 14 -22.938 2.832 -11.793 1.00 0.00 C ATOM 0 H LEU A 14 -22.860 7.003 -11.699 1.00 0.00 H new ATOM 0 HA LEU A 14 -21.955 4.780 -9.980 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -21.145 5.585 -12.795 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -20.610 4.153 -11.938 1.00 0.00 H new ATOM 0 HG LEU A 14 -23.497 4.689 -12.682 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -23.151 3.051 -14.489 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -22.131 4.494 -14.701 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -21.418 2.982 -14.089 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -23.772 2.281 -12.229 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -22.064 2.183 -11.739 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -23.207 3.164 -10.790 1.00 0.00 H new ATOM 206 N GLY A 15 -19.780 5.744 -9.293 1.00 0.00 N ATOM 207 CA GLY A 15 -18.578 6.382 -8.790 1.00 0.00 C ATOM 208 C GLY A 15 -17.992 5.656 -7.596 1.00 0.00 C ATOM 209 O GLY A 15 -18.696 5.369 -6.628 1.00 0.00 O ATOM 0 H GLY A 15 -20.029 4.871 -8.827 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.834 6.426 -9.585 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.806 7.410 -8.510 1.00 0.00 H new ATOM 213 N ASP A 16 -16.700 5.355 -7.665 1.00 0.00 N ATOM 214 CA ASP A 16 -16.019 4.656 -6.581 1.00 0.00 C ATOM 215 C ASP A 16 -14.709 5.353 -6.224 1.00 0.00 C ATOM 216 O ASP A 16 -13.900 5.662 -7.099 1.00 0.00 O ATOM 217 CB ASP A 16 -15.747 3.203 -6.973 1.00 0.00 C ATOM 218 CG ASP A 16 -15.284 3.068 -8.411 1.00 0.00 C ATOM 219 OD1 ASP A 16 -14.583 3.981 -8.897 1.00 0.00 O ATOM 220 OD2 ASP A 16 -15.622 2.050 -9.049 1.00 0.00 O ATOM 0 H ASP A 16 -16.103 5.584 -8.460 1.00 0.00 H new ATOM 0 HA ASP A 16 -16.669 4.672 -5.706 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -14.989 2.787 -6.310 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -16.654 2.615 -6.830 1.00 0.00 H new ATOM 225 N ARG A 17 -14.508 5.597 -4.933 1.00 0.00 N ATOM 226 CA ARG A 17 -13.298 6.259 -4.460 1.00 0.00 C ATOM 227 C ARG A 17 -12.169 5.251 -4.261 1.00 0.00 C ATOM 228 O ARG A 17 -11.442 5.307 -3.269 1.00 0.00 O ATOM 229 CB ARG A 17 -13.574 6.997 -3.149 1.00 0.00 C ATOM 230 CG ARG A 17 -14.634 8.079 -3.271 1.00 0.00 C ATOM 231 CD ARG A 17 -15.370 8.290 -1.957 1.00 0.00 C ATOM 232 NE ARG A 17 -16.365 9.354 -2.052 1.00 0.00 N ATOM 233 CZ ARG A 17 -17.392 9.476 -1.217 1.00 0.00 C ATOM 234 NH1 ARG A 17 -17.556 8.605 -0.231 1.00 0.00 N ATOM 235 NH2 ARG A 17 -18.256 10.472 -1.367 1.00 0.00 N ATOM 0 H ARG A 17 -15.167 5.346 -4.196 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.989 6.980 -5.217 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.888 6.275 -2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.647 7.447 -2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.167 9.014 -3.582 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.347 7.805 -4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.859 7.362 -1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.652 8.534 -1.174 1.00 0.00 H new ATOM 0 HE ARG A 17 -16.267 10.041 -2.800 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.893 7.839 -0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.345 8.701 0.408 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -18.132 11.145 -2.124 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.044 10.565 -0.726 1.00 0.00 H new ATOM 249 N SER A 18 -12.030 4.330 -5.209 1.00 0.00 N ATOM 250 CA SER A 18 -10.994 3.307 -5.136 1.00 0.00 C ATOM 251 C SER A 18 -10.335 3.103 -6.497 1.00 0.00 C ATOM 252 O SER A 18 -10.984 2.684 -7.455 1.00 0.00 O ATOM 253 CB SER A 18 -11.585 1.987 -4.640 1.00 0.00 C ATOM 254 OG SER A 18 -12.213 2.150 -3.380 1.00 0.00 O ATOM 0 H SER A 18 -12.622 4.271 -6.037 1.00 0.00 H new ATOM 0 HA SER A 18 -10.234 3.644 -4.431 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.309 1.614 -5.365 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.797 1.238 -4.563 1.00 0.00 H new ATOM 0 HG SER A 18 -12.584 1.292 -3.086 1.00 0.00 H new ATOM 260 N GLN A 19 -9.042 3.403 -6.572 1.00 0.00 N ATOM 261 CA GLN A 19 -8.295 3.253 -7.816 1.00 0.00 C ATOM 262 C GLN A 19 -7.414 2.009 -7.775 1.00 0.00 C ATOM 263 O GLN A 19 -6.929 1.612 -6.715 1.00 0.00 O ATOM 264 CB GLN A 19 -7.436 4.492 -8.071 1.00 0.00 C ATOM 265 CG GLN A 19 -7.213 4.784 -9.547 1.00 0.00 C ATOM 266 CD GLN A 19 -6.520 3.645 -10.268 1.00 0.00 C ATOM 267 OE1 GLN A 19 -7.109 2.992 -11.131 1.00 0.00 O ATOM 268 NE2 GLN A 19 -5.263 3.400 -9.919 1.00 0.00 N ATOM 0 H GLN A 19 -8.491 3.751 -5.788 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.011 3.142 -8.630 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.911 5.356 -7.606 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.469 4.360 -7.585 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.173 4.980 -10.024 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.616 5.690 -9.648 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.814 3.966 -9.199 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.746 2.646 -10.371 1.00 0.00 H new ATOM 277 N LYS A 20 -7.211 1.395 -8.936 1.00 0.00 N ATOM 278 CA LYS A 20 -6.388 0.196 -9.034 1.00 0.00 C ATOM 279 C LYS A 20 -4.974 0.542 -9.488 1.00 0.00 C ATOM 280 O LYS A 20 -4.747 0.869 -10.653 1.00 0.00 O ATOM 281 CB LYS A 20 -7.018 -0.801 -10.009 1.00 0.00 C ATOM 282 CG LYS A 20 -6.126 -1.990 -10.325 1.00 0.00 C ATOM 283 CD LYS A 20 -6.925 -3.153 -10.888 1.00 0.00 C ATOM 284 CE LYS A 20 -6.069 -4.402 -11.027 1.00 0.00 C ATOM 285 NZ LYS A 20 -5.097 -4.286 -12.149 1.00 0.00 N ATOM 0 H LYS A 20 -7.606 1.709 -9.823 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.332 -0.258 -8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.957 -1.163 -9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.262 -0.284 -10.937 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.361 -1.692 -11.042 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.608 -2.308 -9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.773 -3.363 -10.236 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.331 -2.879 -11.862 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.530 -4.578 -10.096 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.712 -5.267 -11.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.532 -5.157 -12.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.612 -4.143 -13.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.467 -3.476 -11.980 1.00 0.00 H new ATOM 299 N CYS A 21 -4.025 0.468 -8.560 1.00 0.00 N ATOM 300 CA CYS A 21 -2.632 0.773 -8.864 1.00 0.00 C ATOM 301 C CYS A 21 -2.217 0.151 -10.195 1.00 0.00 C ATOM 302 O CYS A 21 -2.867 -0.769 -10.691 1.00 0.00 O ATOM 303 CB CYS A 21 -1.721 0.265 -7.745 1.00 0.00 C ATOM 304 SG CYS A 21 0.004 0.838 -7.873 1.00 0.00 S ATOM 0 H CYS A 21 -4.196 0.199 -7.591 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.532 1.856 -8.942 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.129 0.585 -6.786 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.732 -0.825 -7.749 1.00 0.00 H new ATOM 309 N SER A 22 -1.131 0.661 -10.766 1.00 0.00 N ATOM 310 CA SER A 22 -0.630 0.158 -12.041 1.00 0.00 C ATOM 311 C SER A 22 0.722 -0.526 -11.862 1.00 0.00 C ATOM 312 O SER A 22 1.145 -1.320 -12.702 1.00 0.00 O ATOM 313 CB SER A 22 -0.507 1.301 -13.051 1.00 0.00 C ATOM 314 OG SER A 22 -0.181 0.809 -14.339 1.00 0.00 O ATOM 0 H SER A 22 -0.581 1.422 -10.367 1.00 0.00 H new ATOM 0 HA SER A 22 -1.341 -0.576 -12.419 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.445 1.854 -13.096 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.260 2.002 -12.721 1.00 0.00 H new ATOM 0 HG SER A 22 -0.109 1.558 -14.967 1.00 0.00 H new ATOM 320 N LYS A 23 1.395 -0.212 -10.760 1.00 0.00 N ATOM 321 CA LYS A 23 2.699 -0.795 -10.468 1.00 0.00 C ATOM 322 C LYS A 23 2.550 -2.197 -9.884 1.00 0.00 C ATOM 323 O LYS A 23 3.084 -3.165 -10.425 1.00 0.00 O ATOM 324 CB LYS A 23 3.472 0.095 -9.492 1.00 0.00 C ATOM 325 CG LYS A 23 4.766 -0.526 -8.996 1.00 0.00 C ATOM 326 CD LYS A 23 5.688 0.517 -8.386 1.00 0.00 C ATOM 327 CE LYS A 23 6.928 -0.121 -7.781 1.00 0.00 C ATOM 328 NZ LYS A 23 7.997 -0.330 -8.797 1.00 0.00 N ATOM 0 H LYS A 23 1.059 0.443 -10.054 1.00 0.00 H new ATOM 0 HA LYS A 23 3.254 -0.867 -11.403 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.698 1.044 -9.979 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.835 0.320 -8.636 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.542 -1.293 -8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.273 -1.022 -9.824 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.983 1.235 -9.151 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.152 1.073 -7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.308 0.512 -6.979 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.662 -1.078 -7.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.825 -0.767 -8.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.644 -0.955 -9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.270 0.586 -9.207 1.00 0.00 H new ATOM 342 N CYS A 24 1.818 -2.298 -8.780 1.00 0.00 N ATOM 343 CA CYS A 24 1.597 -3.580 -8.123 1.00 0.00 C ATOM 344 C CYS A 24 0.243 -4.165 -8.514 1.00 0.00 C ATOM 345 O CYS A 24 0.135 -5.347 -8.836 1.00 0.00 O ATOM 346 CB CYS A 24 1.676 -3.420 -6.604 1.00 0.00 C ATOM 347 SG CYS A 24 0.276 -2.508 -5.878 1.00 0.00 S ATOM 0 H CYS A 24 1.367 -1.506 -8.321 1.00 0.00 H new ATOM 0 HA CYS A 24 2.378 -4.266 -8.450 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.728 -4.408 -6.148 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.602 -2.904 -6.352 1.00 0.00 H new ATOM 352 N GLY A 25 -0.789 -3.327 -8.482 1.00 0.00 N ATOM 353 CA GLY A 25 -2.122 -3.778 -8.835 1.00 0.00 C ATOM 354 C GLY A 25 -2.988 -4.035 -7.618 1.00 0.00 C ATOM 355 O GLY A 25 -3.630 -5.082 -7.515 1.00 0.00 O ATOM 0 H GLY A 25 -0.725 -2.344 -8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.600 -3.029 -9.466 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.049 -4.692 -9.425 1.00 0.00 H new ATOM 359 N ILE A 26 -3.006 -3.081 -6.694 1.00 0.00 N ATOM 360 CA ILE A 26 -3.799 -3.211 -5.478 1.00 0.00 C ATOM 361 C ILE A 26 -4.880 -2.137 -5.409 1.00 0.00 C ATOM 362 O ILE A 26 -4.779 -1.098 -6.062 1.00 0.00 O ATOM 363 CB ILE A 26 -2.918 -3.117 -4.218 1.00 0.00 C ATOM 364 CG1 ILE A 26 -3.686 -3.618 -2.993 1.00 0.00 C ATOM 365 CG2 ILE A 26 -2.448 -1.686 -4.006 1.00 0.00 C ATOM 366 CD1 ILE A 26 -2.869 -3.604 -1.720 1.00 0.00 C ATOM 0 H ILE A 26 -2.481 -2.210 -6.764 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.268 -4.194 -5.511 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.042 -3.750 -4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.573 -3.000 -2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.032 -4.634 -3.182 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.827 -1.636 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.868 -1.362 -4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.312 -1.033 -3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.477 -3.972 -0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.996 -4.245 -1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.545 -2.585 -1.507 1.00 0.00 H new ATOM 378 N ILE A 27 -5.913 -2.395 -4.614 1.00 0.00 N ATOM 379 CA ILE A 27 -7.011 -1.449 -4.458 1.00 0.00 C ATOM 380 C ILE A 27 -6.745 -0.483 -3.309 1.00 0.00 C ATOM 381 O ILE A 27 -6.537 -0.899 -2.169 1.00 0.00 O ATOM 382 CB ILE A 27 -8.346 -2.173 -4.206 1.00 0.00 C ATOM 383 CG1 ILE A 27 -8.640 -3.157 -5.341 1.00 0.00 C ATOM 384 CG2 ILE A 27 -9.477 -1.166 -4.065 1.00 0.00 C ATOM 385 CD1 ILE A 27 -8.870 -2.486 -6.677 1.00 0.00 C ATOM 0 H ILE A 27 -6.013 -3.251 -4.068 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.081 -0.890 -5.391 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.267 -2.734 -3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.807 -3.854 -5.432 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.521 -3.745 -5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.414 -1.694 -3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.270 -0.501 -3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.559 -0.580 -4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.073 -3.243 -7.434 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.722 -1.810 -6.603 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.982 -1.920 -6.958 1.00 0.00 H new ATOM 397 N PHE A 28 -6.755 0.810 -3.615 1.00 0.00 N ATOM 398 CA PHE A 28 -6.516 1.837 -2.608 1.00 0.00 C ATOM 399 C PHE A 28 -7.419 3.046 -2.838 1.00 0.00 C ATOM 400 O PHE A 28 -8.035 3.181 -3.896 1.00 0.00 O ATOM 401 CB PHE A 28 -5.049 2.270 -2.629 1.00 0.00 C ATOM 402 CG PHE A 28 -4.676 3.064 -3.849 1.00 0.00 C ATOM 403 CD1 PHE A 28 -4.259 2.426 -5.006 1.00 0.00 C ATOM 404 CD2 PHE A 28 -4.742 4.448 -3.838 1.00 0.00 C ATOM 405 CE1 PHE A 28 -3.915 3.153 -6.130 1.00 0.00 C ATOM 406 CE2 PHE A 28 -4.400 5.180 -4.959 1.00 0.00 C ATOM 407 CZ PHE A 28 -3.985 4.532 -6.106 1.00 0.00 C ATOM 0 H PHE A 28 -6.926 1.172 -4.553 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.749 1.413 -1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.841 2.866 -1.740 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.416 1.384 -2.574 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.202 1.348 -5.030 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.064 4.960 -2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.592 2.643 -7.026 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.457 6.258 -4.938 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.716 5.103 -6.982 1.00 0.00 H new ATOM 417 N ILE A 29 -7.492 3.921 -1.841 1.00 0.00 N ATOM 418 CA ILE A 29 -8.318 5.118 -1.934 1.00 0.00 C ATOM 419 C ILE A 29 -7.553 6.264 -2.587 1.00 0.00 C ATOM 420 O ILE A 29 -6.483 6.655 -2.120 1.00 0.00 O ATOM 421 CB ILE A 29 -8.813 5.570 -0.548 1.00 0.00 C ATOM 422 CG1 ILE A 29 -9.521 4.417 0.166 1.00 0.00 C ATOM 423 CG2 ILE A 29 -9.742 6.767 -0.682 1.00 0.00 C ATOM 424 CD1 ILE A 29 -10.853 4.051 -0.449 1.00 0.00 C ATOM 0 H ILE A 29 -6.989 3.823 -0.959 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.179 4.860 -2.551 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.952 5.868 0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.872 3.541 0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.675 4.687 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.084 7.075 0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.208 7.591 -1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.601 6.494 -1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.297 3.227 0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.519 4.913 -0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.704 3.749 -1.486 1.00 0.00 H new ATOM 436 N ARG A 30 -8.110 6.799 -3.669 1.00 0.00 N ATOM 437 CA ARG A 30 -7.480 7.901 -4.386 1.00 0.00 C ATOM 438 C ARG A 30 -8.207 9.214 -4.112 1.00 0.00 C ATOM 439 O ARG A 30 -9.339 9.219 -3.627 1.00 0.00 O ATOM 440 CB ARG A 30 -7.467 7.618 -5.890 1.00 0.00 C ATOM 441 CG ARG A 30 -8.829 7.763 -6.549 1.00 0.00 C ATOM 442 CD ARG A 30 -9.055 9.180 -7.054 1.00 0.00 C ATOM 443 NE ARG A 30 -8.425 9.405 -8.352 1.00 0.00 N ATOM 444 CZ ARG A 30 -8.122 10.610 -8.823 1.00 0.00 C ATOM 445 NH1 ARG A 30 -8.390 11.692 -8.105 1.00 0.00 N ATOM 446 NH2 ARG A 30 -7.550 10.734 -10.013 1.00 0.00 N ATOM 0 H ARG A 30 -8.996 6.487 -4.068 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.453 7.992 -4.031 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.765 8.298 -6.373 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.098 6.606 -6.058 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.909 7.062 -7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.610 7.501 -5.835 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.125 9.370 -7.133 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.657 9.891 -6.330 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.206 8.593 -8.929 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.830 11.600 -7.189 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.157 12.616 -8.468 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.342 9.904 -10.568 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.318 11.660 -10.373 1.00 0.00 H new ATOM 460 N ARG A 31 -7.549 10.326 -4.425 1.00 0.00 N ATOM 461 CA ARG A 31 -8.132 11.645 -4.210 1.00 0.00 C ATOM 462 C ARG A 31 -7.396 12.703 -5.026 1.00 0.00 C ATOM 463 O ARG A 31 -6.254 12.501 -5.439 1.00 0.00 O ATOM 464 CB ARG A 31 -8.089 12.009 -2.725 1.00 0.00 C ATOM 465 CG ARG A 31 -6.685 12.019 -2.141 1.00 0.00 C ATOM 466 CD ARG A 31 -6.706 11.790 -0.638 1.00 0.00 C ATOM 467 NE ARG A 31 -5.364 11.818 -0.061 1.00 0.00 N ATOM 468 CZ ARG A 31 -5.126 11.896 1.243 1.00 0.00 C ATOM 469 NH1 ARG A 31 -6.134 11.952 2.102 1.00 0.00 N ATOM 470 NH2 ARG A 31 -3.877 11.916 1.691 1.00 0.00 N ATOM 0 H ARG A 31 -6.612 10.340 -4.828 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.171 11.614 -4.539 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.538 12.993 -2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.700 11.299 -2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.085 11.245 -2.620 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.206 12.974 -2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.321 12.555 -0.163 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.172 10.828 -0.424 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.566 11.775 -0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.095 11.935 1.762 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.948 12.012 3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.099 11.871 1.033 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.695 11.976 2.693 1.00 0.00 H new ATOM 484 N SER A 32 -8.059 13.833 -5.255 1.00 0.00 N ATOM 485 CA SER A 32 -7.470 14.922 -6.026 1.00 0.00 C ATOM 486 C SER A 32 -6.743 15.903 -5.111 1.00 0.00 C ATOM 487 O SER A 32 -7.322 16.889 -4.652 1.00 0.00 O ATOM 488 CB SER A 32 -8.552 15.654 -6.822 1.00 0.00 C ATOM 489 OG SER A 32 -8.810 15.001 -8.052 1.00 0.00 O ATOM 0 H SER A 32 -9.004 14.018 -4.918 1.00 0.00 H new ATOM 0 HA SER A 32 -6.746 14.494 -6.720 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.469 15.705 -6.234 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.237 16.680 -7.011 1.00 0.00 H new ATOM 0 HG SER A 32 -9.506 15.487 -8.541 1.00 0.00 H new ATOM 495 N THR A 33 -5.470 15.626 -4.849 1.00 0.00 N ATOM 496 CA THR A 33 -4.662 16.482 -3.989 1.00 0.00 C ATOM 497 C THR A 33 -3.852 17.478 -4.810 1.00 0.00 C ATOM 498 O THR A 33 -3.900 18.685 -4.566 1.00 0.00 O ATOM 499 CB THR A 33 -3.703 15.654 -3.114 1.00 0.00 C ATOM 500 OG1 THR A 33 -2.792 14.923 -3.942 1.00 0.00 O ATOM 501 CG2 THR A 33 -4.476 14.690 -2.227 1.00 0.00 C ATOM 0 H THR A 33 -4.976 14.815 -5.220 1.00 0.00 H new ATOM 0 HA THR A 33 -5.353 17.025 -3.344 1.00 0.00 H new ATOM 0 HB THR A 33 -3.144 16.340 -2.477 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.184 14.400 -3.378 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.777 14.116 -1.618 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.147 15.252 -1.577 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.058 14.010 -2.849 1.00 0.00 H new ATOM 509 N LEU A 34 -3.107 16.968 -5.785 1.00 0.00 N ATOM 510 CA LEU A 34 -2.285 17.814 -6.643 1.00 0.00 C ATOM 511 C LEU A 34 -2.848 17.861 -8.060 1.00 0.00 C ATOM 512 O LEU A 34 -2.785 16.877 -8.797 1.00 0.00 O ATOM 513 CB LEU A 34 -0.845 17.299 -6.671 1.00 0.00 C ATOM 514 CG LEU A 34 0.061 17.777 -5.536 1.00 0.00 C ATOM 515 CD1 LEU A 34 -0.324 17.105 -4.227 1.00 0.00 C ATOM 516 CD2 LEU A 34 1.521 17.507 -5.868 1.00 0.00 C ATOM 0 H LEU A 34 -3.055 15.972 -6.001 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.295 18.824 -6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.870 16.209 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.393 17.594 -7.618 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.071 18.853 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.332 17.457 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.357 17.351 -3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.223 16.025 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.151 17.854 -5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.670 16.437 -6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.790 18.037 -6.782 1.00 0.00 H new ATOM 528 N SER A 35 -3.397 19.012 -8.435 1.00 0.00 N ATOM 529 CA SER A 35 -3.972 19.188 -9.764 1.00 0.00 C ATOM 530 C SER A 35 -3.189 18.394 -10.804 1.00 0.00 C ATOM 531 O SER A 35 -3.726 17.492 -11.448 1.00 0.00 O ATOM 532 CB SER A 35 -3.989 20.670 -10.143 1.00 0.00 C ATOM 533 OG SER A 35 -4.634 20.870 -11.389 1.00 0.00 O ATOM 0 H SER A 35 -3.456 19.837 -7.838 1.00 0.00 H new ATOM 0 HA SER A 35 -4.996 18.814 -9.743 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.502 21.241 -9.369 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.968 21.047 -10.194 1.00 0.00 H new ATOM 0 HG SER A 35 -4.633 21.825 -11.608 1.00 0.00 H new ATOM 539 N ARG A 36 -1.914 18.736 -10.964 1.00 0.00 N ATOM 540 CA ARG A 36 -1.056 18.056 -11.927 1.00 0.00 C ATOM 541 C ARG A 36 -1.361 16.562 -11.968 1.00 0.00 C ATOM 542 O ARG A 36 -1.461 15.910 -10.928 1.00 0.00 O ATOM 543 CB ARG A 36 0.417 18.278 -11.575 1.00 0.00 C ATOM 544 CG ARG A 36 0.723 18.100 -10.097 1.00 0.00 C ATOM 545 CD ARG A 36 2.197 17.809 -9.864 1.00 0.00 C ATOM 546 NE ARG A 36 2.974 19.032 -9.679 1.00 0.00 N ATOM 547 CZ ARG A 36 3.430 19.772 -10.683 1.00 0.00 C ATOM 548 NH1 ARG A 36 3.187 19.415 -11.937 1.00 0.00 N ATOM 549 NH2 ARG A 36 4.129 20.872 -10.434 1.00 0.00 N ATOM 0 H ARG A 36 -1.453 19.479 -10.439 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.255 18.476 -12.913 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.028 17.583 -12.150 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.707 19.284 -11.879 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.439 19.002 -9.554 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.122 17.284 -9.696 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.306 17.174 -8.985 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.595 17.252 -10.712 1.00 0.00 H new ATOM 0 HE ARG A 36 3.178 19.334 -8.726 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.649 18.571 -12.132 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.538 19.985 -12.707 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.317 21.150 -9.471 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.479 21.440 -11.206 1.00 0.00 H new ATOM 563 N ARG A 37 -1.508 16.026 -13.175 1.00 0.00 N ATOM 564 CA ARG A 37 -1.803 14.609 -13.351 1.00 0.00 C ATOM 565 C ARG A 37 -0.680 13.745 -12.786 1.00 0.00 C ATOM 566 O ARG A 37 0.481 13.887 -13.170 1.00 0.00 O ATOM 567 CB ARG A 37 -2.010 14.290 -14.833 1.00 0.00 C ATOM 568 CG ARG A 37 -3.379 14.692 -15.357 1.00 0.00 C ATOM 569 CD ARG A 37 -3.365 16.099 -15.933 1.00 0.00 C ATOM 570 NE ARG A 37 -4.706 16.671 -16.015 1.00 0.00 N ATOM 571 CZ ARG A 37 -5.608 16.303 -16.918 1.00 0.00 C ATOM 572 NH1 ARG A 37 -5.313 15.369 -17.812 1.00 0.00 N ATOM 573 NH2 ARG A 37 -6.807 16.870 -16.929 1.00 0.00 N ATOM 0 H ARG A 37 -1.428 16.551 -14.046 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.720 14.384 -12.806 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.243 14.800 -15.416 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.870 13.220 -14.989 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.697 13.987 -16.125 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.109 14.636 -14.550 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.736 16.738 -15.313 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.918 16.079 -16.927 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.964 17.393 -15.342 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.392 14.931 -17.807 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.007 15.088 -18.504 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.037 17.589 -16.244 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.499 16.587 -17.623 1.00 0.00 H new ATOM 587 N LYS A 38 -1.033 12.850 -11.870 1.00 0.00 N ATOM 588 CA LYS A 38 -0.056 11.961 -11.251 1.00 0.00 C ATOM 589 C LYS A 38 -0.356 10.504 -11.588 1.00 0.00 C ATOM 590 O LYS A 38 -1.452 10.173 -12.042 1.00 0.00 O ATOM 591 CB LYS A 38 -0.051 12.155 -9.733 1.00 0.00 C ATOM 592 CG LYS A 38 0.423 13.530 -9.297 1.00 0.00 C ATOM 593 CD LYS A 38 1.034 13.495 -7.906 1.00 0.00 C ATOM 594 CE LYS A 38 2.459 12.965 -7.937 1.00 0.00 C ATOM 595 NZ LYS A 38 3.379 13.888 -8.658 1.00 0.00 N ATOM 0 H LYS A 38 -1.989 12.721 -11.539 1.00 0.00 H new ATOM 0 HA LYS A 38 0.929 12.211 -11.646 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.058 11.989 -9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.590 11.399 -9.281 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.158 13.905 -10.009 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.416 14.226 -9.309 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.027 14.498 -7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.425 12.867 -7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.815 12.821 -6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.473 11.988 -8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.359 13.699 -8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.287 13.739 -9.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.134 14.872 -8.428 1.00 0.00 H new ATOM 609 N THR A 39 0.624 9.635 -11.360 1.00 0.00 N ATOM 610 CA THR A 39 0.465 8.213 -11.639 1.00 0.00 C ATOM 611 C THR A 39 -0.240 7.503 -10.489 1.00 0.00 C ATOM 612 O THR A 39 0.020 7.764 -9.314 1.00 0.00 O ATOM 613 CB THR A 39 1.824 7.535 -11.891 1.00 0.00 C ATOM 614 OG1 THR A 39 2.450 8.105 -13.046 1.00 0.00 O ATOM 615 CG2 THR A 39 1.653 6.036 -12.088 1.00 0.00 C ATOM 0 H THR A 39 1.536 9.891 -10.983 1.00 0.00 H new ATOM 0 HA THR A 39 -0.144 8.133 -12.539 1.00 0.00 H new ATOM 0 HB THR A 39 2.455 7.701 -11.018 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.315 7.669 -13.198 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.627 5.579 -12.264 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.204 5.601 -11.195 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.006 5.853 -12.946 1.00 0.00 H new ATOM 623 N PRO A 40 -1.153 6.583 -10.831 1.00 0.00 N ATOM 624 CA PRO A 40 -1.914 5.815 -9.840 1.00 0.00 C ATOM 625 C PRO A 40 -1.042 4.813 -9.091 1.00 0.00 C ATOM 626 O PRO A 40 -0.868 3.677 -9.530 1.00 0.00 O ATOM 627 CB PRO A 40 -2.961 5.086 -10.685 1.00 0.00 C ATOM 628 CG PRO A 40 -2.352 4.983 -12.040 1.00 0.00 C ATOM 629 CD PRO A 40 -1.515 6.221 -12.212 1.00 0.00 C ATOM 0 HA PRO A 40 -2.340 6.455 -9.067 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.184 4.101 -10.275 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.900 5.639 -10.714 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.742 4.084 -12.126 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.121 4.922 -12.810 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.632 6.028 -12.821 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.073 7.018 -12.703 1.00 0.00 H new ATOM 637 N MET A 41 -0.497 5.242 -7.957 1.00 0.00 N ATOM 638 CA MET A 41 0.355 4.380 -7.145 1.00 0.00 C ATOM 639 C MET A 41 -0.196 4.249 -5.729 1.00 0.00 C ATOM 640 O MET A 41 -0.490 5.247 -5.071 1.00 0.00 O ATOM 641 CB MET A 41 1.781 4.933 -7.101 1.00 0.00 C ATOM 642 CG MET A 41 2.483 4.913 -8.449 1.00 0.00 C ATOM 643 SD MET A 41 4.267 5.132 -8.306 1.00 0.00 S ATOM 644 CE MET A 41 4.814 3.428 -8.240 1.00 0.00 C ATOM 0 H MET A 41 -0.630 6.180 -7.580 1.00 0.00 H new ATOM 0 HA MET A 41 0.370 3.391 -7.602 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.753 5.958 -6.730 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.365 4.352 -6.388 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.276 3.966 -8.948 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.073 5.702 -9.079 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.416 3.273 -7.344 1.00 0.00 H new ATOM 0 HE2 MET A 41 3.947 2.768 -8.213 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.413 3.204 -9.123 1.00 0.00 H new ATOM 654 N CYS A 42 -0.335 3.011 -5.266 1.00 0.00 N ATOM 655 CA CYS A 42 -0.851 2.748 -3.928 1.00 0.00 C ATOM 656 C CYS A 42 0.097 3.290 -2.862 1.00 0.00 C ATOM 657 O CYS A 42 1.310 3.336 -3.063 1.00 0.00 O ATOM 658 CB CYS A 42 -1.059 1.246 -3.725 1.00 0.00 C ATOM 659 SG CYS A 42 0.453 0.251 -3.932 1.00 0.00 S ATOM 0 H CYS A 42 -0.097 2.174 -5.798 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.809 3.258 -3.829 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.458 1.077 -2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.811 0.895 -4.432 1.00 0.00 H new ATOM 664 N GLU A 43 -0.466 3.699 -1.730 1.00 0.00 N ATOM 665 CA GLU A 43 0.329 4.238 -0.633 1.00 0.00 C ATOM 666 C GLU A 43 1.675 3.526 -0.536 1.00 0.00 C ATOM 667 O GLU A 43 2.712 4.158 -0.329 1.00 0.00 O ATOM 668 CB GLU A 43 -0.428 4.104 0.690 1.00 0.00 C ATOM 669 CG GLU A 43 -1.767 4.821 0.700 1.00 0.00 C ATOM 670 CD GLU A 43 -2.757 4.194 1.663 1.00 0.00 C ATOM 671 OE1 GLU A 43 -2.605 4.400 2.886 1.00 0.00 O ATOM 672 OE2 GLU A 43 -3.682 3.499 1.195 1.00 0.00 O ATOM 0 H GLU A 43 -1.469 3.667 -1.548 1.00 0.00 H new ATOM 0 HA GLU A 43 0.509 5.294 -0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.590 3.047 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.192 4.498 1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.614 5.866 0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.188 4.811 -0.305 1.00 0.00 H new ATOM 679 N LYS A 44 1.652 2.206 -0.686 1.00 0.00 N ATOM 680 CA LYS A 44 2.869 1.406 -0.616 1.00 0.00 C ATOM 681 C LYS A 44 3.847 1.806 -1.716 1.00 0.00 C ATOM 682 O LYS A 44 4.999 2.146 -1.443 1.00 0.00 O ATOM 683 CB LYS A 44 2.532 -0.083 -0.736 1.00 0.00 C ATOM 684 CG LYS A 44 3.692 -0.998 -0.385 1.00 0.00 C ATOM 685 CD LYS A 44 3.639 -1.434 1.070 1.00 0.00 C ATOM 686 CE LYS A 44 4.116 -0.330 2.000 1.00 0.00 C ATOM 687 NZ LYS A 44 2.984 0.484 2.523 1.00 0.00 N ATOM 0 H LYS A 44 0.803 1.667 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 44 3.340 1.590 0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.690 -0.310 -0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.210 -0.293 -1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.671 -1.877 -1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.633 -0.483 -0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.618 -1.714 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.258 -2.320 1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.663 -0.769 2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.813 0.317 1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.219 1.494 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.128 0.285 1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.814 0.242 3.520 1.00 0.00 H new ATOM 701 N CYS A 45 3.381 1.765 -2.960 1.00 0.00 N ATOM 702 CA CYS A 45 4.214 2.125 -4.101 1.00 0.00 C ATOM 703 C CYS A 45 4.611 3.597 -4.043 1.00 0.00 C ATOM 704 O CYS A 45 5.641 3.995 -4.586 1.00 0.00 O ATOM 705 CB CYS A 45 3.475 1.836 -5.409 1.00 0.00 C ATOM 706 SG CYS A 45 3.342 0.065 -5.813 1.00 0.00 S ATOM 0 H CYS A 45 2.431 1.486 -3.203 1.00 0.00 H new ATOM 0 HA CYS A 45 5.121 1.521 -4.062 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.473 2.260 -5.349 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.988 2.346 -6.224 1.00 0.00 H new ATOM 711 N ARG A 46 3.787 4.400 -3.379 1.00 0.00 N ATOM 712 CA ARG A 46 4.051 5.828 -3.250 1.00 0.00 C ATOM 713 C ARG A 46 5.367 6.074 -2.517 1.00 0.00 C ATOM 714 O ARG A 46 6.088 7.026 -2.815 1.00 0.00 O ATOM 715 CB ARG A 46 2.904 6.516 -2.505 1.00 0.00 C ATOM 716 CG ARG A 46 1.663 6.724 -3.357 1.00 0.00 C ATOM 717 CD ARG A 46 0.614 7.544 -2.623 1.00 0.00 C ATOM 718 NE ARG A 46 0.938 8.968 -2.616 1.00 0.00 N ATOM 719 CZ ARG A 46 0.421 9.835 -1.753 1.00 0.00 C ATOM 720 NH1 ARG A 46 -0.439 9.425 -0.831 1.00 0.00 N ATOM 721 NH2 ARG A 46 0.765 11.115 -1.810 1.00 0.00 N ATOM 0 H ARG A 46 2.931 4.086 -2.922 1.00 0.00 H new ATOM 0 HA ARG A 46 4.129 6.249 -4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.639 5.919 -1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.249 7.483 -2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.937 7.228 -4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.243 5.757 -3.632 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.357 7.396 -3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.528 7.187 -1.597 1.00 0.00 H new ATOM 0 HE ARG A 46 1.598 9.316 -3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.705 8.441 -0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.834 10.093 -0.169 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.427 11.434 -2.517 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.367 11.780 -1.147 1.00 0.00 H new ATOM 735 N LYS A 47 5.673 5.208 -1.556 1.00 0.00 N ATOM 736 CA LYS A 47 6.902 5.329 -0.781 1.00 0.00 C ATOM 737 C LYS A 47 8.006 4.459 -1.372 1.00 0.00 C ATOM 738 O LYS A 47 8.797 3.862 -0.642 1.00 0.00 O ATOM 739 CB LYS A 47 6.651 4.933 0.676 1.00 0.00 C ATOM 740 CG LYS A 47 6.229 3.484 0.848 1.00 0.00 C ATOM 741 CD LYS A 47 6.343 3.038 2.296 1.00 0.00 C ATOM 742 CE LYS A 47 5.056 3.302 3.063 1.00 0.00 C ATOM 743 NZ LYS A 47 5.037 4.665 3.662 1.00 0.00 N ATOM 0 H LYS A 47 5.087 4.415 -1.296 1.00 0.00 H new ATOM 0 HA LYS A 47 7.225 6.369 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.559 5.109 1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.878 5.580 1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.201 3.361 0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.851 2.846 0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.578 1.974 2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.168 3.564 2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.204 3.188 2.393 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.944 2.557 3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.351 4.691 4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.984 4.898 4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.763 5.359 2.937 1.00 0.00 H new ATOM 757 N ASP A 48 8.056 4.394 -2.698 1.00 0.00 N ATOM 758 CA ASP A 48 9.065 3.599 -3.387 1.00 0.00 C ATOM 759 C ASP A 48 9.703 4.396 -4.522 1.00 0.00 C ATOM 760 O ASP A 48 9.441 4.140 -5.697 1.00 0.00 O ATOM 761 CB ASP A 48 8.446 2.313 -3.937 1.00 0.00 C ATOM 762 CG ASP A 48 8.151 1.301 -2.847 1.00 0.00 C ATOM 763 OD1 ASP A 48 7.254 1.565 -2.018 1.00 0.00 O ATOM 764 OD2 ASP A 48 8.817 0.245 -2.823 1.00 0.00 O ATOM 0 H ASP A 48 7.409 4.883 -3.317 1.00 0.00 H new ATOM 0 HA ASP A 48 9.841 3.340 -2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.523 2.554 -4.465 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.124 1.870 -4.667 1.00 0.00 H new ATOM 769 N SER A 49 10.540 5.363 -4.161 1.00 0.00 N ATOM 770 CA SER A 49 11.211 6.201 -5.148 1.00 0.00 C ATOM 771 C SER A 49 12.706 5.900 -5.189 1.00 0.00 C ATOM 772 O SER A 49 13.517 6.649 -4.642 1.00 0.00 O ATOM 773 CB SER A 49 10.986 7.680 -4.830 1.00 0.00 C ATOM 774 OG SER A 49 9.603 7.976 -4.730 1.00 0.00 O ATOM 0 H SER A 49 10.770 5.586 -3.192 1.00 0.00 H new ATOM 0 HA SER A 49 10.786 5.978 -6.127 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.484 7.934 -3.894 1.00 0.00 H new ATOM 0 HB3 SER A 49 11.437 8.295 -5.608 1.00 0.00 H new ATOM 0 HG SER A 49 9.486 8.927 -4.524 1.00 0.00 H new ATOM 780 N CYS A 50 13.064 4.800 -5.841 1.00 0.00 N ATOM 781 CA CYS A 50 14.461 4.398 -5.954 1.00 0.00 C ATOM 782 C CYS A 50 15.233 5.359 -6.853 1.00 0.00 C ATOM 783 O CYS A 50 14.746 5.761 -7.909 1.00 0.00 O ATOM 784 CB CYS A 50 14.561 2.974 -6.505 1.00 0.00 C ATOM 785 SG CYS A 50 13.991 2.801 -8.212 1.00 0.00 S ATOM 0 H CYS A 50 12.406 4.170 -6.300 1.00 0.00 H new ATOM 0 HA CYS A 50 14.903 4.427 -4.958 1.00 0.00 H new ATOM 0 HB2 CYS A 50 15.598 2.645 -6.445 1.00 0.00 H new ATOM 0 HB3 CYS A 50 13.978 2.308 -5.869 1.00 0.00 H new ATOM 0 HG CYS A 50 14.927 3.194 -9.024 1.00 0.00 H new ATOM 791 N GLN A 51 16.437 5.723 -6.425 1.00 0.00 N ATOM 792 CA GLN A 51 17.274 6.639 -7.190 1.00 0.00 C ATOM 793 C GLN A 51 17.513 6.110 -8.601 1.00 0.00 C ATOM 794 O GLN A 51 17.444 6.859 -9.574 1.00 0.00 O ATOM 795 CB GLN A 51 18.612 6.855 -6.481 1.00 0.00 C ATOM 796 CG GLN A 51 19.403 5.574 -6.271 1.00 0.00 C ATOM 797 CD GLN A 51 20.562 5.754 -5.311 1.00 0.00 C ATOM 798 OE1 GLN A 51 21.155 6.830 -5.230 1.00 0.00 O ATOM 799 NE2 GLN A 51 20.892 4.698 -4.576 1.00 0.00 N ATOM 0 H GLN A 51 16.855 5.398 -5.553 1.00 0.00 H new ATOM 0 HA GLN A 51 16.751 7.593 -7.263 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.214 7.552 -7.064 1.00 0.00 H new ATOM 0 HB3 GLN A 51 18.430 7.322 -5.513 1.00 0.00 H new ATOM 0 HG2 GLN A 51 18.738 4.799 -5.890 1.00 0.00 H new ATOM 0 HG3 GLN A 51 19.783 5.224 -7.231 1.00 0.00 H new ATOM 0 HE21 GLN A 51 20.373 3.825 -4.675 1.00 0.00 H new ATOM 0 HE22 GLN A 51 21.664 4.760 -3.912 1.00 0.00 H new ATOM 808 N GLU A 52 17.793 4.814 -8.701 1.00 0.00 N ATOM 809 CA GLU A 52 18.043 4.185 -9.993 1.00 0.00 C ATOM 810 C GLU A 52 16.815 4.285 -10.893 1.00 0.00 C ATOM 811 O GLU A 52 15.821 3.590 -10.685 1.00 0.00 O ATOM 812 CB GLU A 52 18.432 2.718 -9.804 1.00 0.00 C ATOM 813 CG GLU A 52 19.358 2.190 -10.887 1.00 0.00 C ATOM 814 CD GLU A 52 19.602 0.698 -10.770 1.00 0.00 C ATOM 815 OE1 GLU A 52 19.979 0.242 -9.670 1.00 0.00 O ATOM 816 OE2 GLU A 52 19.415 -0.015 -11.778 1.00 0.00 O ATOM 0 H GLU A 52 17.852 4.180 -7.904 1.00 0.00 H new ATOM 0 HA GLU A 52 18.867 4.713 -10.472 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.917 2.601 -8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.527 2.111 -9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 52 18.929 2.409 -11.865 1.00 0.00 H new ATOM 0 HG3 GLU A 52 20.311 2.716 -10.833 1.00 0.00 H new ATOM 823 N ALA A 53 16.892 5.156 -11.895 1.00 0.00 N ATOM 824 CA ALA A 53 15.788 5.346 -12.828 1.00 0.00 C ATOM 825 C ALA A 53 16.241 6.116 -14.064 1.00 0.00 C ATOM 826 O ALA A 53 16.635 7.279 -13.973 1.00 0.00 O ATOM 827 CB ALA A 53 14.638 6.071 -12.144 1.00 0.00 C ATOM 0 H ALA A 53 17.707 5.741 -12.081 1.00 0.00 H new ATOM 0 HA ALA A 53 15.443 4.363 -13.150 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.821 6.206 -12.852 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.290 5.482 -11.296 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.979 7.045 -11.793 1.00 0.00 H new ATOM 833 N ALA A 54 16.183 5.460 -15.218 1.00 0.00 N ATOM 834 CA ALA A 54 16.586 6.084 -16.472 1.00 0.00 C ATOM 835 C ALA A 54 15.402 6.217 -17.425 1.00 0.00 C ATOM 836 O ALA A 54 15.237 5.412 -18.342 1.00 0.00 O ATOM 837 CB ALA A 54 17.703 5.284 -17.125 1.00 0.00 C ATOM 0 H ALA A 54 15.861 4.497 -15.310 1.00 0.00 H new ATOM 0 HA ALA A 54 16.954 7.085 -16.248 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.994 5.762 -18.061 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.562 5.245 -16.455 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.355 4.271 -17.328 1.00 0.00 H new ATOM 843 N LEU A 55 14.580 7.237 -17.201 1.00 0.00 N ATOM 844 CA LEU A 55 13.410 7.475 -18.039 1.00 0.00 C ATOM 845 C LEU A 55 13.638 8.663 -18.967 1.00 0.00 C ATOM 846 O LEU A 55 13.412 8.574 -20.173 1.00 0.00 O ATOM 847 CB LEU A 55 12.177 7.722 -17.169 1.00 0.00 C ATOM 848 CG LEU A 55 10.824 7.457 -17.832 1.00 0.00 C ATOM 849 CD1 LEU A 55 10.479 5.978 -17.768 1.00 0.00 C ATOM 850 CD2 LEU A 55 9.735 8.290 -17.171 1.00 0.00 C ATOM 0 H LEU A 55 14.702 7.912 -16.446 1.00 0.00 H new ATOM 0 HA LEU A 55 13.244 6.587 -18.649 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.253 7.095 -16.280 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.197 8.758 -16.831 1.00 0.00 H new ATOM 0 HG LEU A 55 10.891 7.748 -18.880 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.513 5.809 -18.244 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.246 5.403 -18.287 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.430 5.660 -16.726 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.779 8.089 -17.655 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.669 8.030 -16.115 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.976 9.348 -17.269 1.00 0.00 H new ATOM 862 N ASN A 56 14.090 9.775 -18.396 1.00 0.00 N ATOM 863 CA ASN A 56 14.351 10.982 -19.173 1.00 0.00 C ATOM 864 C ASN A 56 15.717 11.566 -18.829 1.00 0.00 C ATOM 865 O ASN A 56 15.878 12.242 -17.813 1.00 0.00 O ATOM 866 CB ASN A 56 13.259 12.023 -18.918 1.00 0.00 C ATOM 867 CG ASN A 56 13.181 13.061 -20.021 1.00 0.00 C ATOM 868 OD1 ASN A 56 13.570 12.803 -21.160 1.00 0.00 O ATOM 869 ND2 ASN A 56 12.677 14.243 -19.686 1.00 0.00 N ATOM 0 H ASN A 56 14.283 9.866 -17.399 1.00 0.00 H new ATOM 0 HA ASN A 56 14.347 10.712 -20.229 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.296 11.521 -18.827 1.00 0.00 H new ATOM 0 HB3 ASN A 56 13.450 12.521 -17.967 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.600 14.981 -20.385 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.367 14.413 -18.729 1.00 0.00 H new ATOM 876 N LYS A 57 16.700 11.301 -19.683 1.00 0.00 N ATOM 877 CA LYS A 57 18.053 11.800 -19.472 1.00 0.00 C ATOM 878 C LYS A 57 18.125 13.302 -19.731 1.00 0.00 C ATOM 879 O LYS A 57 18.304 13.738 -20.868 1.00 0.00 O ATOM 880 CB LYS A 57 19.038 11.067 -20.386 1.00 0.00 C ATOM 881 CG LYS A 57 20.487 11.200 -19.950 1.00 0.00 C ATOM 882 CD LYS A 57 20.740 10.489 -18.631 1.00 0.00 C ATOM 883 CE LYS A 57 22.227 10.287 -18.383 1.00 0.00 C ATOM 884 NZ LYS A 57 22.840 9.380 -19.392 1.00 0.00 N ATOM 0 H LYS A 57 16.584 10.743 -20.529 1.00 0.00 H new ATOM 0 HA LYS A 57 18.324 11.614 -18.433 1.00 0.00 H new ATOM 0 HB2 LYS A 57 18.773 10.010 -20.419 1.00 0.00 H new ATOM 0 HB3 LYS A 57 18.936 11.453 -21.400 1.00 0.00 H new ATOM 0 HG2 LYS A 57 21.139 10.785 -20.719 1.00 0.00 H new ATOM 0 HG3 LYS A 57 20.743 12.255 -19.851 1.00 0.00 H new ATOM 0 HD2 LYS A 57 20.310 11.070 -17.815 1.00 0.00 H new ATOM 0 HD3 LYS A 57 20.236 9.522 -18.635 1.00 0.00 H new ATOM 0 HE2 LYS A 57 22.733 11.252 -18.407 1.00 0.00 H new ATOM 0 HE3 LYS A 57 22.376 9.874 -17.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 23.706 8.959 -19.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 22.167 8.625 -19.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 23.076 9.922 -20.248 1.00 0.00 H new ATOM 898 N ASP A 58 17.986 14.088 -18.668 1.00 0.00 N ATOM 899 CA ASP A 58 18.038 15.541 -18.780 1.00 0.00 C ATOM 900 C ASP A 58 18.161 16.188 -17.404 1.00 0.00 C ATOM 901 O ASP A 58 17.475 15.795 -16.461 1.00 0.00 O ATOM 902 CB ASP A 58 16.791 16.064 -19.494 1.00 0.00 C ATOM 903 CG ASP A 58 17.019 17.413 -20.146 1.00 0.00 C ATOM 904 OD1 ASP A 58 17.711 18.256 -19.537 1.00 0.00 O ATOM 905 OD2 ASP A 58 16.506 17.627 -21.264 1.00 0.00 O ATOM 0 H ASP A 58 17.837 13.743 -17.720 1.00 0.00 H new ATOM 0 HA ASP A 58 18.919 15.804 -19.365 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.482 15.345 -20.253 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.973 16.144 -18.778 1.00 0.00 H new ATOM 910 N GLU A 59 19.039 17.180 -17.298 1.00 0.00 N ATOM 911 CA GLU A 59 19.252 17.879 -16.036 1.00 0.00 C ATOM 912 C GLU A 59 19.662 19.329 -16.280 1.00 0.00 C ATOM 913 O GLU A 59 19.887 19.739 -17.418 1.00 0.00 O ATOM 914 CB GLU A 59 20.323 17.167 -15.207 1.00 0.00 C ATOM 915 CG GLU A 59 21.653 17.022 -15.927 1.00 0.00 C ATOM 916 CD GLU A 59 22.809 16.789 -14.974 1.00 0.00 C ATOM 917 OE1 GLU A 59 22.583 16.187 -13.904 1.00 0.00 O ATOM 918 OE2 GLU A 59 23.940 17.210 -15.299 1.00 0.00 O ATOM 0 H GLU A 59 19.614 17.518 -18.070 1.00 0.00 H new ATOM 0 HA GLU A 59 18.312 17.873 -15.484 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.479 17.719 -14.280 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.959 16.177 -14.931 1.00 0.00 H new ATOM 0 HG2 GLU A 59 21.593 16.191 -16.630 1.00 0.00 H new ATOM 0 HG3 GLU A 59 21.845 17.921 -16.512 1.00 0.00 H new ATOM 925 N GLY A 60 19.757 20.101 -15.201 1.00 0.00 N ATOM 926 CA GLY A 60 20.139 21.496 -15.319 1.00 0.00 C ATOM 927 C GLY A 60 19.524 22.358 -14.235 1.00 0.00 C ATOM 928 O GLY A 60 20.235 23.014 -13.475 1.00 0.00 O ATOM 0 H GLY A 60 19.576 19.785 -14.248 1.00 0.00 H new ATOM 0 HA2 GLY A 60 21.225 21.578 -15.272 1.00 0.00 H new ATOM 0 HA3 GLY A 60 19.833 21.872 -16.295 1.00 0.00 H new ATOM 932 N ASN A 61 18.196 22.360 -14.164 1.00 0.00 N ATOM 933 CA ASN A 61 17.485 23.151 -13.166 1.00 0.00 C ATOM 934 C ASN A 61 16.278 22.388 -12.627 1.00 0.00 C ATOM 935 O ASN A 61 15.488 21.838 -13.392 1.00 0.00 O ATOM 936 CB ASN A 61 17.033 24.483 -13.768 1.00 0.00 C ATOM 937 CG ASN A 61 16.389 24.313 -15.131 1.00 0.00 C ATOM 938 OD1 ASN A 61 15.169 24.188 -15.242 1.00 0.00 O ATOM 939 ND2 ASN A 61 17.208 24.306 -16.176 1.00 0.00 N ATOM 0 H ASN A 61 17.591 21.823 -14.785 1.00 0.00 H new ATOM 0 HA ASN A 61 18.168 23.347 -12.339 1.00 0.00 H new ATOM 0 HB2 ASN A 61 16.325 24.962 -13.092 1.00 0.00 H new ATOM 0 HB3 ASN A 61 17.891 25.149 -13.855 1.00 0.00 H new ATOM 0 HD21 ASN A 61 16.832 24.194 -17.118 1.00 0.00 H new ATOM 0 HD22 ASN A 61 18.213 24.413 -16.037 1.00 0.00 H new ATOM 946 N GLU A 62 16.144 22.362 -11.305 1.00 0.00 N ATOM 947 CA GLU A 62 15.034 21.667 -10.664 1.00 0.00 C ATOM 948 C GLU A 62 14.121 22.652 -9.939 1.00 0.00 C ATOM 949 O GLU A 62 14.417 23.085 -8.826 1.00 0.00 O ATOM 950 CB GLU A 62 15.559 20.621 -9.678 1.00 0.00 C ATOM 951 CG GLU A 62 15.990 19.323 -10.340 1.00 0.00 C ATOM 952 CD GLU A 62 16.739 18.406 -9.392 1.00 0.00 C ATOM 953 OE1 GLU A 62 16.386 18.375 -8.195 1.00 0.00 O ATOM 954 OE2 GLU A 62 17.677 17.720 -9.848 1.00 0.00 O ATOM 0 H GLU A 62 16.790 22.814 -10.657 1.00 0.00 H new ATOM 0 HA GLU A 62 14.456 21.166 -11.440 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.405 21.040 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.783 20.404 -8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.111 18.805 -10.722 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.624 19.550 -11.197 1.00 0.00 H new ATOM 961 N SER A 63 13.011 23.002 -10.580 1.00 0.00 N ATOM 962 CA SER A 63 12.056 23.939 -10.000 1.00 0.00 C ATOM 963 C SER A 63 10.632 23.403 -10.112 1.00 0.00 C ATOM 964 O SER A 63 10.350 22.525 -10.926 1.00 0.00 O ATOM 965 CB SER A 63 12.158 25.299 -10.694 1.00 0.00 C ATOM 966 OG SER A 63 11.419 26.285 -9.994 1.00 0.00 O ATOM 0 H SER A 63 12.750 22.651 -11.502 1.00 0.00 H new ATOM 0 HA SER A 63 12.298 24.059 -8.944 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.203 25.601 -10.758 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.786 25.218 -11.716 1.00 0.00 H new ATOM 0 HG SER A 63 11.501 27.145 -10.456 1.00 0.00 H new ATOM 972 N GLY A 64 9.738 23.940 -9.287 1.00 0.00 N ATOM 973 CA GLY A 64 8.354 23.505 -9.308 1.00 0.00 C ATOM 974 C GLY A 64 7.458 24.458 -10.074 1.00 0.00 C ATOM 975 O GLY A 64 7.891 25.534 -10.486 1.00 0.00 O ATOM 0 H GLY A 64 9.948 24.668 -8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.295 22.514 -9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.990 23.412 -8.285 1.00 0.00 H new ATOM 979 N LYS A 65 6.204 24.062 -10.267 1.00 0.00 N ATOM 980 CA LYS A 65 5.243 24.888 -10.989 1.00 0.00 C ATOM 981 C LYS A 65 4.078 25.282 -10.086 1.00 0.00 C ATOM 982 O LYS A 65 3.434 26.310 -10.299 1.00 0.00 O ATOM 983 CB LYS A 65 4.720 24.142 -12.218 1.00 0.00 C ATOM 984 CG LYS A 65 5.821 23.615 -13.123 1.00 0.00 C ATOM 985 CD LYS A 65 5.266 22.696 -14.198 1.00 0.00 C ATOM 986 CE LYS A 65 4.390 23.455 -15.183 1.00 0.00 C ATOM 987 NZ LYS A 65 3.825 22.558 -16.229 1.00 0.00 N ATOM 0 H LYS A 65 5.829 23.174 -9.933 1.00 0.00 H new ATOM 0 HA LYS A 65 5.752 25.796 -11.312 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.100 23.308 -11.890 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.078 24.810 -12.792 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.341 24.451 -13.591 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.557 23.076 -12.526 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.089 22.221 -14.732 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.686 21.899 -13.733 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.577 23.942 -14.645 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.975 24.242 -15.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.234 23.113 -16.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.600 22.112 -16.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.245 21.821 -15.778 1.00 0.00 H new ATOM 1001 N LYS A 66 3.812 24.459 -9.078 1.00 0.00 N ATOM 1002 CA LYS A 66 2.726 24.721 -8.141 1.00 0.00 C ATOM 1003 C LYS A 66 3.173 25.687 -7.048 1.00 0.00 C ATOM 1004 O LYS A 66 2.454 25.914 -6.074 1.00 0.00 O ATOM 1005 CB LYS A 66 2.240 23.413 -7.513 1.00 0.00 C ATOM 1006 CG LYS A 66 3.330 22.645 -6.786 1.00 0.00 C ATOM 1007 CD LYS A 66 3.414 23.045 -5.323 1.00 0.00 C ATOM 1008 CE LYS A 66 2.244 22.490 -4.525 1.00 0.00 C ATOM 1009 NZ LYS A 66 2.304 22.898 -3.095 1.00 0.00 N ATOM 0 H LYS A 66 4.334 23.604 -8.889 1.00 0.00 H new ATOM 0 HA LYS A 66 1.905 25.179 -8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.434 23.633 -6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.820 22.779 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.134 21.575 -6.861 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.290 22.828 -7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.350 22.682 -4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.428 24.132 -5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.308 22.838 -4.963 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.242 21.402 -4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.489 22.500 -2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.185 22.544 -2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.280 23.936 -3.029 1.00 0.00 H new ATOM 1023 N THR A 67 4.363 26.256 -7.216 1.00 0.00 N ATOM 1024 CA THR A 67 4.904 27.197 -6.245 1.00 0.00 C ATOM 1025 C THR A 67 3.871 28.252 -5.866 1.00 0.00 C ATOM 1026 O THR A 67 3.762 29.291 -6.518 1.00 0.00 O ATOM 1027 CB THR A 67 6.164 27.900 -6.786 1.00 0.00 C ATOM 1028 OG1 THR A 67 7.157 26.928 -7.133 1.00 0.00 O ATOM 1029 CG2 THR A 67 6.730 28.865 -5.755 1.00 0.00 C ATOM 0 H THR A 67 4.970 26.081 -8.017 1.00 0.00 H new ATOM 0 HA THR A 67 5.170 26.619 -5.360 1.00 0.00 H new ATOM 0 HB THR A 67 5.884 28.466 -7.675 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.954 27.383 -7.478 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.619 29.349 -6.159 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.982 29.621 -5.515 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.995 28.317 -4.851 1.00 0.00 H new ATOM 1037 N SER A 68 3.114 27.979 -4.809 1.00 0.00 N ATOM 1038 CA SER A 68 2.086 28.904 -4.345 1.00 0.00 C ATOM 1039 C SER A 68 2.663 29.898 -3.341 1.00 0.00 C ATOM 1040 O SER A 68 2.627 31.108 -3.559 1.00 0.00 O ATOM 1041 CB SER A 68 0.927 28.134 -3.709 1.00 0.00 C ATOM 1042 OG SER A 68 -0.123 29.010 -3.337 1.00 0.00 O ATOM 0 H SER A 68 3.193 27.125 -4.257 1.00 0.00 H new ATOM 0 HA SER A 68 1.715 29.459 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.552 27.389 -4.411 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.283 27.594 -2.831 1.00 0.00 H new ATOM 0 HG SER A 68 -0.852 28.494 -2.935 1.00 0.00 H new ATOM 1048 N GLY A 69 3.194 29.376 -2.240 1.00 0.00 N ATOM 1049 CA GLY A 69 3.771 30.230 -1.218 1.00 0.00 C ATOM 1050 C GLY A 69 3.869 29.540 0.128 1.00 0.00 C ATOM 1051 O GLY A 69 3.244 28.506 0.366 1.00 0.00 O ATOM 0 H GLY A 69 3.235 28.377 -2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.765 30.547 -1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.166 31.131 -1.118 1.00 0.00 H new ATOM 1055 N PRO A 70 4.672 30.115 1.035 1.00 0.00 N ATOM 1056 CA PRO A 70 4.869 29.564 2.379 1.00 0.00 C ATOM 1057 C PRO A 70 3.625 29.699 3.250 1.00 0.00 C ATOM 1058 O PRO A 70 3.487 30.659 4.009 1.00 0.00 O ATOM 1059 CB PRO A 70 6.012 30.411 2.945 1.00 0.00 C ATOM 1060 CG PRO A 70 5.936 31.698 2.198 1.00 0.00 C ATOM 1061 CD PRO A 70 5.447 31.348 0.820 1.00 0.00 C ATOM 0 HA PRO A 70 5.083 28.496 2.354 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.895 30.568 4.017 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.976 29.924 2.798 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.256 32.394 2.688 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.911 32.182 2.155 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.830 32.142 0.399 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.274 31.187 0.129 1.00 0.00 H new ATOM 1069 N SER A 71 2.721 28.731 3.136 1.00 0.00 N ATOM 1070 CA SER A 71 1.486 28.744 3.911 1.00 0.00 C ATOM 1071 C SER A 71 1.725 28.220 5.324 1.00 0.00 C ATOM 1072 O SER A 71 2.577 27.359 5.542 1.00 0.00 O ATOM 1073 CB SER A 71 0.415 27.900 3.217 1.00 0.00 C ATOM 1074 OG SER A 71 -0.775 27.853 3.985 1.00 0.00 O ATOM 0 H SER A 71 2.821 27.928 2.515 1.00 0.00 H new ATOM 0 HA SER A 71 1.140 29.775 3.978 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.200 28.317 2.233 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.790 26.889 3.060 1.00 0.00 H new ATOM 0 HG SER A 71 -1.444 27.309 3.519 1.00 0.00 H new ATOM 1080 N SER A 72 0.967 28.747 6.280 1.00 0.00 N ATOM 1081 CA SER A 72 1.098 28.337 7.673 1.00 0.00 C ATOM 1082 C SER A 72 1.410 26.846 7.773 1.00 0.00 C ATOM 1083 O SER A 72 0.865 26.035 7.026 1.00 0.00 O ATOM 1084 CB SER A 72 -0.185 28.653 8.443 1.00 0.00 C ATOM 1085 OG SER A 72 -0.075 28.261 9.800 1.00 0.00 O ATOM 0 H SER A 72 0.255 29.459 6.115 1.00 0.00 H new ATOM 0 HA SER A 72 1.924 28.895 8.114 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.393 29.721 8.386 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.027 28.139 7.980 1.00 0.00 H new ATOM 0 HG SER A 72 -0.907 28.475 10.271 1.00 0.00 H new ATOM 1091 N GLY A 73 2.292 26.494 8.703 1.00 0.00 N ATOM 1092 CA GLY A 73 2.663 25.103 8.885 1.00 0.00 C ATOM 1093 C GLY A 73 1.842 24.420 9.961 1.00 0.00 C ATOM 1094 O GLY A 73 0.622 24.337 9.822 1.00 0.00 O ATOM 0 H GLY A 73 2.756 27.147 9.334 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.536 24.570 7.943 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.720 25.043 9.146 1.00 0.00 H new TER 1098 GLY A 73 HETATM 1099 ZN ZN A 201 1.036 -0.273 -6.111 1.00 0.00 ZN